NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
281389 | 2kt0 | 16680 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H1 SER 1 -10.785 15.236 -6.868 2 H2 SER 1 H2 SER 1 -12.221 15.025 -5.986 3 H3 SER 1 H3 SER 1 -11.922 14.089 -7.372 4 HA SER 1 HA SER 1 -11.570 12.884 -5.268 5 HB2 SER 1 2HB SER 1 -9.113 13.307 -7.005 6 HB3 SER 1 1HB SER 1 -9.406 11.918 -5.958 7 HG SER 1 HG SER 1 -10.123 12.179 -8.452 8 H LYS 2 H LYS 2 -9.373 12.448 -3.910 9 HA LYS 2 HA LYS 2 -8.475 15.049 -2.869 10 HB2 LYS 2 2HB LYS 2 -9.786 13.766 -1.209 11 HB3 LYS 2 1HB LYS 2 -8.665 12.420 -1.376 12 HG2 LYS 2 2HG LYS 2 -6.880 13.702 -0.436 13 HG3 LYS 2 1HG LYS 2 -7.859 15.167 -0.446 14 HD2 LYS 2 2HD LYS 2 -8.448 12.688 1.175 15 HD3 LYS 2 1HD LYS 2 -7.689 14.154 1.799 16 HE2 LYS 2 2HE LYS 2 -9.733 15.411 1.101 17 HE3 LYS 2 1HE LYS 2 -10.478 13.868 0.688 18 HZ1 LYS 2 3HZ LYS 2 -9.547 14.709 3.382 19 HZ2 LYS 2 1HZ LYS 2 -10.177 13.175 3.012 20 HZ3 LYS 2 2HZ LYS 2 -11.158 14.550 2.878 21 H GLN 3 H GLN 3 -6.509 15.482 -3.516 22 HA GLN 3 HA GLN 3 -4.661 13.320 -4.169 23 HB2 GLN 3 2HB GLN 3 -3.314 15.115 -5.276 24 HB3 GLN 3 1HB GLN 3 -4.913 14.889 -5.960 25 HG2 GLN 3 2HG GLN 3 -4.530 16.988 -3.887 26 HG3 GLN 3 1HG GLN 3 -3.928 17.283 -5.513 27 HE21 GLN 3 1HE2 GLN 3 -5.364 18.958 -5.850 28 HE22 GLN 3 2HE2 GLN 3 -7.054 18.693 -6.103 29 HA PRO 4 HA PRO 4 -3.149 14.589 -0.076 30 HB2 PRO 4 2HB PRO 4 -2.249 11.897 0.345 31 HB3 PRO 4 1HB PRO 4 -3.628 12.711 1.081 32 HG2 PRO 4 2HG PRO 4 -3.822 10.609 -0.686 33 HG3 PRO 4 1HG PRO 4 -5.105 11.793 -0.383 34 HD2 PRO 4 2HD PRO 4 -3.137 11.658 -2.633 35 HD3 PRO 4 1HD PRO 4 -4.857 12.109 -2.660 36 H THR 5 H THR 5 -1.558 15.509 -1.907 37 HA THR 5 HA THR 5 0.979 14.219 -2.110 38 HB THR 5 HB THR 5 0.231 15.850 -3.790 39 HG1 THR 5 1HG THR 5 2.198 17.092 -3.848 40 HG21 THR 5 3HG2 THR 5 0.502 17.886 -1.574 41 HG22 THR 5 1HG2 THR 5 -0.996 17.385 -2.356 42 HG23 THR 5 2HG2 THR 5 0.230 18.259 -3.276 43 H SER 6 H SER 6 -0.573 16.049 0.279 44 HA SER 6 HA SER 6 1.717 15.912 2.020 45 HB2 SER 6 2HB SER 6 1.864 18.123 0.712 46 HB3 SER 6 1HB SER 6 0.430 18.617 1.610 47 HG SER 6 HG SER 6 2.925 17.815 2.719 48 H ALA 7 H ALA 7 0.912 17.176 4.178 49 HA ALA 7 HA ALA 7 -0.465 17.110 5.970 50 HB1 ALA 7 1HB ALA 7 -1.852 18.577 4.565 51 HB2 ALA 7 2HB ALA 7 -2.815 17.583 5.659 52 HB3 ALA 7 3HB ALA 7 -2.700 17.158 3.951 53 H GLU 8 H GLU 8 0.351 14.985 6.387 54 HA GLU 8 HA GLU 8 -1.662 12.882 5.980 55 HB2 GLU 8 2HB GLU 8 0.449 11.436 6.740 56 HB3 GLU 8 1HB GLU 8 0.159 11.864 5.062 57 HG2 GLU 8 2HG GLU 8 2.493 12.174 5.689 58 HG3 GLU 8 1HG GLU 8 1.738 13.694 5.223 59 H ASN 9 H ASN 9 -1.463 11.164 7.838 60 HA ASN 9 HA ASN 9 -1.613 12.629 10.365 61 HB2 ASN 9 2HB ASN 9 -3.480 11.090 9.703 62 HB3 ASN 9 1HB ASN 9 -2.345 9.747 9.799 63 HD21 ASN 9 1HD2 ASN 9 -1.587 9.087 11.800 64 HD22 ASN 9 2HD2 ASN 9 -2.400 9.512 13.270 65 H SER 10 H SER 10 0.506 12.955 10.836 66 HA SER 10 HA SER 10 2.621 11.231 10.360 67 HB2 SER 10 2HB SER 10 2.404 13.320 12.539 68 HB3 SER 10 1HB SER 10 3.899 12.658 11.875 69 HG SER 10 HG SER 10 2.740 13.451 9.769 70 H VAL 11 H VAL 11 2.823 9.250 11.077 71 HA VAL 11 HA VAL 11 2.958 7.430 12.410 72 HB VAL 11 HB VAL 11 3.197 9.391 14.695 73 HG11 VAL 11 1HG1 VAL 11 2.713 7.115 15.426 74 HG12 VAL 11 2HG1 VAL 11 4.367 7.568 15.835 75 HG13 VAL 11 3HG1 VAL 11 4.059 6.508 14.460 76 HG21 VAL 11 3HG2 VAL 11 4.857 9.845 12.966 77 HG22 VAL 11 1HG2 VAL 11 5.349 8.151 12.982 78 HG23 VAL 11 2HG2 VAL 11 5.613 9.160 14.404 79 H ALA 12 H ALA 12 0.797 6.896 11.881 80 HA ALA 12 HA ALA 12 -1.310 7.521 13.760 81 HB1 ALA 12 1HB ALA 12 -1.815 7.254 11.365 82 HB2 ALA 12 2HB ALA 12 -2.717 6.110 12.357 83 HB3 ALA 12 3HB ALA 12 -1.303 5.568 11.455 84 H LYS 13 H LYS 13 -0.012 4.471 12.557 85 HA LYS 13 HA LYS 13 0.757 3.372 15.001 86 HB2 LYS 13 2HB LYS 13 -1.022 1.715 15.366 87 HB3 LYS 13 1HB LYS 13 -1.641 3.350 15.552 88 HG2 LYS 13 2HG LYS 13 -2.693 3.266 13.408 89 HG3 LYS 13 1HG LYS 13 -1.931 1.716 13.044 90 HD2 LYS 13 2HD LYS 13 -3.163 0.681 14.883 91 HD3 LYS 13 1HD LYS 13 -3.920 2.231 15.253 92 HE2 LYS 13 2HE LYS 13 -5.038 2.254 13.129 93 HE3 LYS 13 1HE LYS 13 -4.169 0.811 12.608 94 HZ1 LYS 13 3HZ LYS 13 -6.469 0.384 13.360 95 HZ2 LYS 13 1HZ LYS 13 -6.032 0.890 14.918 96 HZ3 LYS 13 2HZ LYS 13 -5.306 -0.483 14.240 97 H LYS 14 H LYS 14 1.105 0.936 14.728 98 HA LYS 14 HA LYS 14 1.295 0.232 11.878 99 HB2 LYS 14 2HB LYS 14 3.287 -0.571 14.010 100 HB3 LYS 14 1HB LYS 14 3.355 -0.994 12.306 101 HG2 LYS 14 2HG LYS 14 3.346 1.641 12.039 102 HG3 LYS 14 1HG LYS 14 4.021 1.549 13.666 103 HD2 LYS 14 2HD LYS 14 5.105 0.276 11.158 104 HD3 LYS 14 1HD LYS 14 5.837 1.573 12.102 105 HE2 LYS 14 2HE LYS 14 6.231 0.076 13.945 106 HE3 LYS 14 1HE LYS 14 5.340 -1.216 13.141 107 HZ1 LYS 14 3HZ LYS 14 7.070 -0.968 11.308 108 HZ2 LYS 14 1HZ LYS 14 7.574 -1.700 12.752 109 HZ3 LYS 14 2HZ LYS 14 7.982 -0.085 12.433 110 H GLU 15 H GLU 15 0.614 -1.769 11.333 111 HA GLU 15 HA GLU 15 -0.869 -3.269 13.290 112 HB2 GLU 15 2HB GLU 15 -0.227 -3.978 10.417 113 HB3 GLU 15 1HB GLU 15 -1.453 -4.733 11.423 114 HG2 GLU 15 2HG GLU 15 -1.450 -1.877 10.470 115 HG3 GLU 15 1HG GLU 15 -2.447 -3.187 9.841 116 H ASP 16 H ASP 16 2.205 -3.408 11.699 117 HA ASP 16 HA ASP 16 2.831 -5.965 13.004 118 HB2 ASP 16 2HB ASP 16 3.230 -6.079 10.651 119 HB3 ASP 16 1HB ASP 16 4.085 -4.538 10.655 120 H LYS 17 H LYS 17 4.167 -5.985 14.691 121 HA LYS 17 HA LYS 17 6.025 -3.722 15.040 122 HB2 LYS 17 2HB LYS 17 4.521 -5.223 17.194 123 HB3 LYS 17 1HB LYS 17 5.778 -4.034 17.497 124 HG2 LYS 17 2HG LYS 17 4.378 -2.342 16.330 125 HG3 LYS 17 1HG LYS 17 3.097 -3.549 16.219 126 HD2 LYS 17 2HD LYS 17 4.335 -2.540 18.779 127 HD3 LYS 17 1HD LYS 17 2.779 -2.029 18.126 128 HE2 LYS 17 2HE LYS 17 1.941 -4.313 18.318 129 HE3 LYS 17 1HE LYS 17 3.504 -4.842 18.942 130 HZ1 LYS 17 3HZ LYS 17 1.661 -2.904 20.237 131 HZ2 LYS 17 1HZ LYS 17 3.187 -3.344 20.832 132 HZ3 LYS 17 2HZ LYS 17 1.946 -4.496 20.731 133 H VAL 18 H VAL 18 6.656 -5.992 13.611 134 HA VAL 18 HA VAL 18 8.268 -7.641 15.434 135 HB VAL 18 HB VAL 18 7.471 -8.224 12.576 136 HG11 VAL 18 1HG1 VAL 18 8.879 -9.943 14.615 137 HG12 VAL 18 2HG1 VAL 18 9.588 -9.262 13.151 138 HG13 VAL 18 3HG1 VAL 18 8.321 -10.482 13.031 139 HG21 VAL 18 3HG2 VAL 18 5.535 -8.320 14.008 140 HG22 VAL 18 1HG2 VAL 18 6.408 -9.305 15.183 141 HG23 VAL 18 2HG2 VAL 18 6.025 -9.963 13.592 142 HA PRO 19 HA PRO 19 11.389 -4.809 13.652 143 HB2 PRO 19 2HB PRO 19 12.980 -5.822 15.920 144 HB3 PRO 19 1HB PRO 19 12.581 -4.161 15.473 145 HG2 PRO 19 2HG PRO 19 11.455 -5.338 17.597 146 HG3 PRO 19 1HG PRO 19 10.546 -4.213 16.570 147 HD2 PRO 19 2HD PRO 19 10.491 -7.211 16.607 148 HD3 PRO 19 1HD PRO 19 9.141 -6.063 16.475 149 H VAL 20 H VAL 20 11.655 -6.201 11.868 150 HA VAL 20 HA VAL 20 12.815 -7.490 10.430 151 HB VAL 20 HB VAL 20 15.143 -6.734 12.169 152 HG11 VAL 20 1HG1 VAL 20 15.647 -8.457 10.499 153 HG12 VAL 20 2HG1 VAL 20 16.460 -6.937 10.126 154 HG13 VAL 20 3HG1 VAL 20 15.012 -7.407 9.233 155 HG21 VAL 20 3HG2 VAL 20 15.373 -4.792 10.653 156 HG22 VAL 20 1HG2 VAL 20 13.888 -4.752 11.605 157 HG23 VAL 20 2HG2 VAL 20 13.835 -5.231 9.910 158 H LYS 21 H LYS 21 11.904 -9.487 10.910 159 HA LYS 21 HA LYS 21 13.835 -11.381 12.030 160 HB2 LYS 21 2HB LYS 21 10.882 -11.319 12.694 161 HB3 LYS 21 1HB LYS 21 11.931 -12.689 13.027 162 HG2 LYS 21 2HG LYS 21 13.270 -11.324 14.523 163 HG3 LYS 21 1HG LYS 21 12.263 -9.920 14.165 164 HD2 LYS 21 2HD LYS 21 10.324 -11.054 15.114 165 HD3 LYS 21 1HD LYS 21 11.302 -12.486 15.432 166 HE2 LYS 21 2HE LYS 21 12.695 -11.213 16.969 167 HE3 LYS 21 1HE LYS 21 11.769 -9.755 16.622 168 HZ1 LYS 21 3HZ LYS 21 10.608 -12.220 17.806 169 HZ2 LYS 21 1HZ LYS 21 9.837 -10.720 17.617 170 HZ3 LYS 21 2HZ LYS 21 11.125 -10.885 18.712 171 H LYS 22 H LYS 22 13.451 -13.604 11.249 172 HA LYS 22 HA LYS 22 13.018 -15.161 9.648 173 HB2 LYS 22 2HB LYS 22 10.622 -14.300 9.982 174 HB3 LYS 22 1HB LYS 22 10.870 -13.372 8.511 175 HG2 LYS 22 2HG LYS 22 9.709 -15.396 7.972 176 HG3 LYS 22 1HG LYS 22 11.342 -15.486 7.311 177 HD2 LYS 22 2HD LYS 22 12.050 -16.897 9.144 178 HD3 LYS 22 1HD LYS 22 10.475 -16.727 9.922 179 HE2 LYS 22 2HE LYS 22 9.428 -17.830 7.981 180 HE3 LYS 22 1HE LYS 22 11.024 -18.044 7.263 181 HZ1 LYS 22 3HZ LYS 22 11.653 -19.472 9.060 182 HZ2 LYS 22 1HZ LYS 22 10.185 -20.031 8.423 183 HZ3 LYS 22 2HZ LYS 22 10.202 -19.175 9.887 184 H GLN 23 H GLN 23 14.687 -12.681 9.294 185 HA GLN 23 HA GLN 23 16.213 -11.916 7.820 186 HB2 GLN 23 2HB GLN 23 15.235 -14.237 6.157 187 HB3 GLN 23 1HB GLN 23 16.569 -13.194 5.681 188 HG2 GLN 23 2HG GLN 23 17.723 -13.815 7.795 189 HG3 GLN 23 1HG GLN 23 16.431 -14.975 8.102 190 HE21 GLN 23 1HE2 GLN 23 16.307 -16.843 6.861 191 HE22 GLN 23 2HE2 GLN 23 17.593 -17.350 5.817 192 H LYS 24 H LYS 24 16.160 -11.663 5.033 193 HA LYS 24 HA LYS 24 13.987 -9.698 4.772 194 HB2 LYS 24 2HB LYS 24 16.699 -9.759 3.431 195 HB3 LYS 24 1HB LYS 24 15.472 -8.524 3.189 196 HG2 LYS 24 2HG LYS 24 15.648 -7.877 5.533 197 HG3 LYS 24 1HG LYS 24 16.864 -9.130 5.789 198 HD2 LYS 24 2HD LYS 24 18.333 -8.030 4.164 199 HD3 LYS 24 1HD LYS 24 17.115 -6.776 3.917 200 HE2 LYS 24 2HE LYS 24 18.821 -5.979 5.438 201 HE3 LYS 24 1HE LYS 24 17.288 -6.163 6.291 202 HZ1 LYS 24 3HZ LYS 24 18.081 -8.273 7.179 203 HZ2 LYS 24 1HZ LYS 24 19.138 -7.010 7.594 204 HZ3 LYS 24 2HZ LYS 24 19.550 -8.093 6.353 205 H THR 25 H THR 25 12.767 -9.624 2.924 206 HA THR 25 HA THR 25 12.753 -12.075 1.348 207 HB THR 25 HB THR 25 10.547 -11.095 0.520 208 HG1 THR 25 1HG THR 25 10.621 -8.971 1.041 209 HG21 THR 25 3HG2 THR 25 9.352 -11.703 2.576 210 HG22 THR 25 1HG2 THR 25 10.866 -11.617 3.478 211 HG23 THR 25 2HG2 THR 25 10.653 -12.843 2.229 212 H ARG 26 H ARG 26 14.802 -10.075 0.828 213 HA ARG 26 HA ARG 26 15.846 -8.992 -0.868 214 HB2 ARG 26 2HB ARG 26 13.677 -10.297 -2.513 215 HB3 ARG 26 1HB ARG 26 14.952 -9.313 -3.218 216 HG2 ARG 26 2HG ARG 26 15.468 -11.760 -1.547 217 HG3 ARG 26 1HG ARG 26 15.335 -11.778 -3.306 218 HD2 ARG 26 2HD ARG 26 17.219 -10.300 -3.517 219 HD3 ARG 26 1HD ARG 26 17.296 -10.084 -1.770 220 HE ARG 26 HE ARG 26 17.901 -12.471 -1.641 221 HH11 ARG 26 1HH1 ARG 26 18.377 -10.759 -4.655 222 HH12 ARG 26 2HH1 ARG 26 19.645 -11.810 -5.204 223 HH21 ARG 26 1HH2 ARG 26 19.561 -13.856 -2.336 224 HH22 ARG 26 2HH2 ARG 26 20.327 -13.581 -3.880 225 H THR 27 H THR 27 12.506 -8.661 -2.040 226 HA THR 27 HA THR 27 12.773 -5.764 -1.922 227 HB THR 27 HB THR 27 10.442 -5.838 -2.918 228 HG1 THR 27 1HG THR 27 10.033 -8.041 -2.219 229 HG21 THR 27 3HG2 THR 27 12.667 -7.214 -4.434 230 HG22 THR 27 1HG2 THR 27 12.429 -5.473 -4.294 231 HG23 THR 27 2HG2 THR 27 11.248 -6.457 -5.158 232 H VAL 28 H VAL 28 11.572 -4.472 -0.571 233 HA VAL 28 HA VAL 28 9.782 -5.713 1.369 234 HB VAL 28 HB VAL 28 10.939 -4.578 3.274 235 HG11 VAL 28 1HG1 VAL 28 11.228 -6.970 2.904 236 HG12 VAL 28 2HG1 VAL 28 12.706 -6.249 3.540 237 HG13 VAL 28 3HG1 VAL 28 12.587 -6.649 1.827 238 HG21 VAL 28 3HG2 VAL 28 12.210 -2.935 1.978 239 HG22 VAL 28 1HG2 VAL 28 13.192 -4.231 1.295 240 HG23 VAL 28 2HG2 VAL 28 13.268 -3.884 3.022 241 H PHE 29 H PHE 29 8.442 -4.221 2.467 242 HA PHE 29 HA PHE 29 8.411 -1.516 1.315 243 HB2 PHE 29 2HB PHE 29 6.243 -3.243 2.501 244 HB3 PHE 29 1HB PHE 29 6.038 -1.513 2.289 245 HD1 PHE 29 1HD PHE 29 5.987 -0.539 0.033 246 HD2 PHE 29 2HD PHE 29 6.141 -4.745 0.651 247 HE1 PHE 29 1HE PHE 29 5.270 -0.900 -2.295 248 HE2 PHE 29 2HE PHE 29 5.425 -5.118 -1.673 249 HZ PHE 29 HZ PHE 29 4.990 -3.193 -3.151 250 H SER 30 H SER 30 8.283 0.263 2.719 251 HA SER 30 HA SER 30 9.391 -0.293 5.349 252 HB2 SER 30 2HB SER 30 10.528 1.381 3.975 253 HB3 SER 30 1HB SER 30 9.039 2.314 3.847 254 HG SER 30 HG SER 30 10.434 3.149 5.452 255 H SER 31 H SER 31 8.550 0.702 7.244 256 HA SER 31 HA SER 31 5.760 0.437 7.509 257 HB2 SER 31 2HB SER 31 7.751 1.770 9.360 258 HB3 SER 31 1HB SER 31 6.110 1.286 9.794 259 HG SER 31 HG SER 31 7.227 -0.840 8.748 260 H THR 32 H THR 32 7.789 3.097 6.640 261 HA THR 32 HA THR 32 6.084 5.240 7.239 262 HB THR 32 HB THR 32 7.968 5.025 4.879 263 HG1 THR 32 1HG THR 32 8.919 6.358 7.055 264 HG21 THR 32 3HG2 THR 32 6.943 7.415 6.419 265 HG22 THR 32 1HG2 THR 32 6.476 6.958 4.782 266 HG23 THR 32 2HG2 THR 32 8.133 7.465 5.118 267 H GLN 33 H GLN 33 6.454 3.378 4.201 268 HA GLN 33 HA GLN 33 4.287 4.630 2.892 269 HB2 GLN 33 2HB GLN 33 5.523 1.912 2.413 270 HB3 GLN 33 1HB GLN 33 4.342 2.662 1.351 271 HG2 GLN 33 2HG GLN 33 6.239 3.245 0.264 272 HG3 GLN 33 1HG GLN 33 6.106 4.623 1.353 273 HE21 GLN 33 1HE2 GLN 33 7.837 1.737 0.576 274 HE22 GLN 33 2HE2 GLN 33 9.192 2.016 1.620 275 H LEU 34 H LEU 34 4.553 1.613 4.723 276 HA LEU 34 HA LEU 34 1.975 0.645 4.358 277 HB2 LEU 34 2HB LEU 34 3.724 0.419 6.809 278 HB3 LEU 34 1HB LEU 34 2.300 -0.556 6.499 279 HG LEU 34 HG LEU 34 4.816 -0.547 4.832 280 HD11 LEU 34 1HD1 LEU 34 5.110 -2.825 5.714 281 HD12 LEU 34 2HD1 LEU 34 3.723 -2.576 6.777 282 HD13 LEU 34 3HD1 LEU 34 5.177 -1.597 6.979 283 HD21 LEU 34 3HD2 LEU 34 2.318 -2.226 4.614 284 HD22 LEU 34 1HD2 LEU 34 3.797 -2.456 3.680 285 HD23 LEU 34 2HD2 LEU 34 2.845 -0.985 3.477 286 H CYS 35 H CYS 35 3.151 2.957 6.782 287 HA CYS 35 HA CYS 35 0.733 3.138 8.221 288 HB2 CYS 35 2HB CYS 35 2.897 3.910 9.118 289 HB3 CYS 35 1HB CYS 35 2.910 5.222 7.944 290 HG CYS 35 HG CYS 35 0.255 6.026 9.131 291 H VAL 36 H VAL 36 2.023 5.018 5.504 292 HA VAL 36 HA VAL 36 -0.075 6.920 5.436 293 HB VAL 36 HB VAL 36 1.771 6.021 3.208 294 HG11 VAL 36 1HG1 VAL 36 0.038 8.486 3.407 295 HG12 VAL 36 2HG1 VAL 36 -0.213 7.126 2.314 296 HG13 VAL 36 3HG1 VAL 36 1.210 8.151 2.131 297 HG21 VAL 36 3HG2 VAL 36 3.072 8.003 3.759 298 HG22 VAL 36 1HG2 VAL 36 2.941 6.937 5.158 299 HG23 VAL 36 2HG2 VAL 36 1.950 8.393 5.062 300 H LEU 37 H LEU 37 0.465 3.859 3.746 301 HA LEU 37 HA LEU 37 -1.793 3.906 2.091 302 HB2 LEU 37 2HB LEU 37 -0.396 1.544 3.356 303 HB3 LEU 37 1HB LEU 37 -1.553 1.438 2.043 304 HG LEU 37 HG LEU 37 1.104 2.866 1.885 305 HD11 LEU 37 1HD1 LEU 37 1.783 1.003 0.450 306 HD12 LEU 37 2HD1 LEU 37 0.255 0.190 0.789 307 HD13 LEU 37 3HD1 LEU 37 1.415 0.465 2.089 308 HD21 LEU 37 3HD2 LEU 37 -0.609 3.804 0.407 309 HD22 LEU 37 1HD2 LEU 37 -0.914 2.199 -0.255 310 HD23 LEU 37 2HD2 LEU 37 0.650 2.973 -0.505 311 H ASN 38 H ASN 38 -1.358 2.557 5.349 312 HA ASN 38 HA ASN 38 -3.992 1.513 5.559 313 HB2 ASN 38 2HB ASN 38 -2.043 0.731 6.905 314 HB3 ASN 38 1HB ASN 38 -2.059 2.263 7.769 315 HD21 ASN 38 1HD2 ASN 38 -2.366 1.190 9.731 316 HD22 ASN 38 2HD2 ASN 38 -3.888 0.503 10.170 317 H ASP 39 H ASP 39 -2.492 4.535 6.621 318 HA ASP 39 HA ASP 39 -4.706 5.573 7.989 319 HB2 ASP 39 2HB ASP 39 -2.576 6.647 8.242 320 HB3 ASP 39 1HB ASP 39 -2.471 6.977 6.515 321 H ARG 40 H ARG 40 -3.713 5.980 4.609 322 HA ARG 40 HA ARG 40 -5.836 7.697 3.899 323 HB2 ARG 40 2HB ARG 40 -3.705 6.243 2.493 324 HB3 ARG 40 1HB ARG 40 -5.151 6.525 1.535 325 HG2 ARG 40 2HG ARG 40 -3.441 8.275 1.268 326 HG3 ARG 40 1HG ARG 40 -4.980 8.894 1.861 327 HD2 ARG 40 2HD ARG 40 -4.092 8.968 4.129 328 HD3 ARG 40 1HD ARG 40 -2.559 8.300 3.566 329 HE ARG 40 HE ARG 40 -2.578 10.419 2.082 330 HH11 ARG 40 1HH1 ARG 40 -3.672 10.213 5.416 331 HH12 ARG 40 2HH1 ARG 40 -3.421 11.908 5.715 332 HH21 ARG 40 1HH2 ARG 40 -2.212 12.633 2.505 333 HH22 ARG 40 2HH2 ARG 40 -2.581 13.289 4.069 334 H PHE 41 H PHE 41 -5.504 4.192 3.847 335 HA PHE 41 HA PHE 41 -7.935 3.702 2.463 336 HB2 PHE 41 2HB PHE 41 -6.132 2.028 4.171 337 HB3 PHE 41 1HB PHE 41 -7.707 1.409 3.682 338 HD1 PHE 41 1HD PHE 41 -7.880 2.657 0.992 339 HD2 PHE 41 2HD PHE 41 -4.677 0.636 2.928 340 HE1 PHE 41 1HE PHE 41 -6.985 2.006 -1.186 341 HE2 PHE 41 2HE PHE 41 -3.768 -0.027 0.738 342 HZ PHE 41 HZ PHE 41 -4.926 0.659 -1.328 343 H GLN 42 H GLN 42 -7.152 4.411 5.782 344 HA GLN 42 HA GLN 42 -9.800 3.649 6.707 345 HB2 GLN 42 2HB GLN 42 -7.500 4.988 8.132 346 HB3 GLN 42 1HB GLN 42 -9.028 4.578 8.899 347 HG2 GLN 42 2HG GLN 42 -7.086 2.644 7.656 348 HG3 GLN 42 1HG GLN 42 -7.341 2.908 9.381 349 HE21 GLN 42 1HE2 GLN 42 -9.168 2.089 10.362 350 HE22 GLN 42 2HE2 GLN 42 -10.201 0.936 9.594 351 H ARG 43 H ARG 43 -8.063 6.642 5.970 352 HA ARG 43 HA ARG 43 -10.156 8.347 6.937 353 HB2 ARG 43 2HB ARG 43 -8.021 9.082 4.930 354 HB3 ARG 43 1HB ARG 43 -8.931 10.173 5.964 355 HG2 ARG 43 2HG ARG 43 -6.894 8.151 6.875 356 HG3 ARG 43 1HG ARG 43 -6.653 9.891 6.757 357 HD2 ARG 43 2HD ARG 43 -8.290 10.279 8.487 358 HD3 ARG 43 1HD ARG 43 -8.690 8.561 8.538 359 HE ARG 43 HE ARG 43 -5.920 8.905 9.002 360 HH11 ARG 43 1HH1 ARG 43 -8.999 9.501 10.605 361 HH12 ARG 43 2HH1 ARG 43 -8.354 9.220 12.197 362 HH21 ARG 43 1HH2 ARG 43 -5.082 8.596 11.080 363 HH22 ARG 43 2HH2 ARG 43 -6.117 8.730 12.468 364 H GLN 44 H GLN 44 -9.142 7.225 3.740 365 HA GLN 44 HA GLN 44 -11.573 8.369 2.557 366 HB2 GLN 44 2HB GLN 44 -9.072 7.229 1.285 367 HB3 GLN 44 1HB GLN 44 -10.456 7.845 0.391 368 HG2 GLN 44 2HG GLN 44 -10.088 10.058 1.204 369 HG3 GLN 44 1HG GLN 44 -8.845 9.496 2.320 370 HE21 GLN 44 1HE2 GLN 44 -9.634 10.123 -1.017 371 HE22 GLN 44 2HE2 GLN 44 -8.004 10.143 -1.598 372 H LYS 45 H LYS 45 -12.295 6.801 0.577 373 HA LYS 45 HA LYS 45 -13.168 4.371 1.837 374 HB2 LYS 45 2HB LYS 45 -13.395 5.323 -1.021 375 HB3 LYS 45 1HB LYS 45 -14.172 3.882 -0.390 376 HG2 LYS 45 2HG LYS 45 -15.506 5.245 1.123 377 HG3 LYS 45 1HG LYS 45 -14.700 6.701 0.526 378 HD2 LYS 45 2HD LYS 45 -15.593 6.372 -1.672 379 HD3 LYS 45 1HD LYS 45 -16.236 4.793 -1.226 380 HE2 LYS 45 2HE LYS 45 -17.762 5.871 0.360 381 HE3 LYS 45 1HE LYS 45 -17.120 7.449 -0.103 382 HZ1 LYS 45 3HZ LYS 45 -17.957 7.159 -2.311 383 HZ2 LYS 45 1HZ LYS 45 -19.229 6.856 -1.228 384 HZ3 LYS 45 2HZ LYS 45 -18.436 5.564 -1.990 385 H TYR 46 H TYR 46 -11.145 5.107 -0.977 386 HA TYR 46 HA TYR 46 -9.318 2.961 -0.525 387 HB2 TYR 46 2HB TYR 46 -11.354 2.707 -2.756 388 HB3 TYR 46 1HB TYR 46 -9.804 1.880 -2.797 389 HD1 TYR 46 2HD TYR 46 -9.279 0.365 -0.730 390 HD2 TYR 46 1HD TYR 46 -13.194 1.634 -1.825 391 HE1 TYR 46 2HE TYR 46 -10.238 -1.498 0.556 392 HE2 TYR 46 1HE TYR 46 -14.161 -0.227 -0.540 393 HH TYR 46 HH TYR 46 -12.345 -2.060 1.672 394 H LEU 47 H LEU 47 -8.142 2.734 -2.961 395 HA LEU 47 HA LEU 47 -7.411 5.480 -3.610 396 HB2 LEU 47 2HB LEU 47 -6.195 2.869 -4.510 397 HB3 LEU 47 1HB LEU 47 -5.599 4.457 -4.936 398 HG LEU 47 HG LEU 47 -5.748 3.422 -2.113 399 HD11 LEU 47 1HD1 LEU 47 -3.371 3.608 -3.963 400 HD12 LEU 47 2HD1 LEU 47 -4.161 2.116 -3.451 401 HD13 LEU 47 3HD1 LEU 47 -3.331 3.126 -2.267 402 HD21 LEU 47 3HD2 LEU 47 -4.340 5.327 -1.580 403 HD22 LEU 47 1HD2 LEU 47 -5.837 5.867 -2.339 404 HD23 LEU 47 2HD2 LEU 47 -4.341 5.825 -3.272 405 H SER 48 H SER 48 -8.332 6.470 -5.226 406 HA SER 48 HA SER 48 -9.939 5.084 -7.146 407 HB2 SER 48 2HB SER 48 -10.595 7.308 -6.261 408 HB3 SER 48 1HB SER 48 -9.170 8.011 -7.023 409 HG SER 48 HG SER 48 -11.068 8.252 -8.316 410 H LEU 49 H LEU 49 -9.642 6.020 -9.478 411 HA LEU 49 HA LEU 49 -7.402 4.688 -10.532 412 HB2 LEU 49 2HB LEU 49 -9.537 5.026 -11.739 413 HB3 LEU 49 1HB LEU 49 -9.182 6.738 -11.863 414 HG LEU 49 HG LEU 49 -7.183 6.189 -13.232 415 HD11 LEU 49 1HD1 LEU 49 -8.299 3.387 -13.138 416 HD12 LEU 49 2HD1 LEU 49 -6.794 3.928 -12.396 417 HD13 LEU 49 3HD1 LEU 49 -6.965 3.937 -14.151 418 HD21 LEU 49 3HD2 LEU 49 -9.306 6.797 -14.276 419 HD22 LEU 49 1HD2 LEU 49 -9.804 5.105 -14.263 420 HD23 LEU 49 2HD2 LEU 49 -8.433 5.614 -15.250 421 H GLN 50 H GLN 50 -8.060 8.095 -9.917 422 HA GLN 50 HA GLN 50 -5.573 8.966 -11.063 423 HB2 GLN 50 2HB GLN 50 -7.724 10.357 -10.831 424 HB3 GLN 50 1HB GLN 50 -7.256 10.567 -9.146 425 HG2 GLN 50 2HG GLN 50 -5.038 11.432 -10.025 426 HG3 GLN 50 1HG GLN 50 -5.813 11.498 -11.606 427 HE21 GLN 50 1HE2 GLN 50 -5.649 12.841 -8.430 428 HE22 GLN 50 2HE2 GLN 50 -6.595 14.266 -8.762 429 H GLN 51 H GLN 51 -6.790 8.315 -7.804 430 HA GLN 51 HA GLN 51 -4.746 9.511 -6.353 431 HB2 GLN 51 2HB GLN 51 -6.469 7.136 -5.662 432 HB3 GLN 51 1HB GLN 51 -5.442 7.980 -4.517 433 HG2 GLN 51 2HG GLN 51 -6.708 10.027 -4.856 434 HG3 GLN 51 1HG GLN 51 -7.720 9.211 -6.047 435 HE21 GLN 51 1HE2 GLN 51 -6.581 7.696 -3.110 436 HE22 GLN 51 2HE2 GLN 51 -8.131 7.576 -2.350 437 H MET 52 H MET 52 -4.885 6.284 -7.791 438 HA MET 52 HA MET 52 -2.571 5.282 -6.532 439 HB2 MET 52 2HB MET 52 -2.523 3.577 -8.266 440 HB3 MET 52 1HB MET 52 -4.151 3.806 -7.651 441 HG2 MET 52 2HG MET 52 -4.694 5.146 -9.635 442 HG3 MET 52 1HG MET 52 -3.066 4.862 -10.251 443 HE1 MET 52 3HE MET 52 -5.332 2.347 -8.283 444 HE2 MET 52 1HE MET 52 -6.142 1.480 -9.588 445 HE3 MET 52 2HE MET 52 -6.512 3.178 -9.295 446 H GLN 53 H GLN 53 -2.958 7.326 -9.412 447 HA GLN 53 HA GLN 53 -0.183 7.029 -10.113 448 HB2 GLN 53 2HB GLN 53 -0.516 8.667 -11.834 449 HB3 GLN 53 1HB GLN 53 -1.856 7.535 -11.860 450 HG2 GLN 53 2HG GLN 53 -3.256 9.186 -10.718 451 HG3 GLN 53 1HG GLN 53 -1.904 10.318 -10.719 452 HE21 GLN 53 1HE2 GLN 53 -2.494 8.158 -13.368 453 HE22 GLN 53 2HE2 GLN 53 -2.997 9.358 -14.506 454 H GLU 54 H GLU 54 -2.110 9.402 -8.319 455 HA GLU 54 HA GLU 54 -0.079 11.249 -7.778 456 HB2 GLU 54 2HB GLU 54 -2.528 10.397 -6.293 457 HB3 GLU 54 1HB GLU 54 -1.332 11.356 -5.438 458 HG2 GLU 54 2HG GLU 54 -2.855 12.909 -6.229 459 HG3 GLU 54 1HG GLU 54 -1.519 13.000 -7.373 460 H LEU 55 H LEU 55 -1.064 8.391 -5.941 461 HA LEU 55 HA LEU 55 0.837 8.546 -3.919 462 HB2 LEU 55 2HB LEU 55 -1.216 7.058 -4.088 463 HB3 LEU 55 1HB LEU 55 -0.242 5.987 -5.075 464 HG LEU 55 HG LEU 55 1.345 5.760 -3.157 465 HD11 LEU 55 1HD1 LEU 55 -0.828 7.210 -1.649 466 HD12 LEU 55 2HD1 LEU 55 0.771 7.854 -2.017 467 HD13 LEU 55 3HD1 LEU 55 0.606 6.462 -0.947 468 HD21 LEU 55 3HD2 LEU 55 -0.081 4.253 -1.885 469 HD22 LEU 55 1HD2 LEU 55 -0.386 4.088 -3.614 470 HD23 LEU 55 2HD2 LEU 55 -1.515 4.988 -2.600 471 H SER 56 H SER 56 0.947 6.860 -7.006 472 HA SER 56 HA SER 56 3.431 5.683 -6.863 473 HB2 SER 56 2HB SER 56 1.936 5.260 -8.711 474 HB3 SER 56 1HB SER 56 2.001 6.948 -9.210 475 HG SER 56 HG SER 56 4.493 5.979 -9.130 476 H ASN 57 H ASN 57 2.676 9.007 -7.857 477 HA ASN 57 HA ASN 57 5.343 9.686 -8.524 478 HB2 ASN 57 2HB ASN 57 3.369 10.952 -9.315 479 HB3 ASN 57 1HB ASN 57 3.084 11.510 -7.669 480 HD21 ASN 57 1HD2 ASN 57 3.341 13.657 -8.124 481 HD22 ASN 57 2HD2 ASN 57 4.866 14.355 -8.545 482 H ILE 58 H ILE 58 3.511 9.801 -5.537 483 HA ILE 58 HA ILE 58 5.293 11.509 -4.127 484 HB ILE 58 HB ILE 58 3.346 9.527 -2.942 485 HG12 ILE 58 2HG1 ILE 58 2.911 12.383 -3.844 486 HG13 ILE 58 1HG1 ILE 58 2.199 10.946 -4.559 487 HG21 ILE 58 1HG2 ILE 58 3.325 11.067 -1.039 488 HG22 ILE 58 2HG2 ILE 58 4.512 12.088 -1.852 489 HG23 ILE 58 3HG2 ILE 58 4.950 10.455 -1.352 490 HD11 ILE 58 3HD1 ILE 58 1.668 11.972 -1.780 491 HD12 ILE 58 1HD1 ILE 58 0.958 10.527 -2.501 492 HD13 ILE 58 2HD1 ILE 58 0.595 12.117 -3.172 493 H LEU 59 H LEU 59 4.876 7.979 -4.276 494 HA LEU 59 HA LEU 59 7.047 7.653 -2.369 495 HB2 LEU 59 2HB LEU 59 5.110 5.737 -3.627 496 HB3 LEU 59 1HB LEU 59 6.512 5.165 -2.745 497 HG LEU 59 HG LEU 59 4.704 5.086 -1.230 498 HD11 LEU 59 1HD1 LEU 59 5.345 6.663 0.510 499 HD12 LEU 59 2HD1 LEU 59 6.250 7.609 -0.673 500 HD13 LEU 59 3HD1 LEU 59 6.759 5.967 -0.282 501 HD21 LEU 59 3HD2 LEU 59 4.067 7.932 -1.996 502 HD22 LEU 59 1HD2 LEU 59 3.261 6.996 -0.737 503 HD23 LEU 59 2HD2 LEU 59 3.132 6.497 -2.422 504 H ASN 60 H ASN 60 7.050 8.346 -5.461 505 HA ASN 60 HA ASN 60 8.563 8.198 -7.147 506 HB2 ASN 60 2HB ASN 60 10.089 8.558 -5.094 507 HB3 ASN 60 1HB ASN 60 10.458 6.841 -5.229 508 HD21 ASN 60 1HD2 ASN 60 10.742 9.968 -6.745 509 HD22 ASN 60 2HD2 ASN 60 12.010 9.533 -7.847 510 H LEU 61 H LEU 61 6.680 6.076 -6.709 511 HA LEU 61 HA LEU 61 8.150 3.728 -7.708 512 HB2 LEU 61 2HB LEU 61 5.419 3.914 -6.431 513 HB3 LEU 61 1HB LEU 61 6.128 2.440 -7.061 514 HG LEU 61 HG LEU 61 7.196 4.055 -4.742 515 HD11 LEU 61 1HD1 LEU 61 5.162 2.898 -4.157 516 HD12 LEU 61 2HD1 LEU 61 6.544 2.091 -3.415 517 HD13 LEU 61 3HD1 LEU 61 5.782 1.399 -4.848 518 HD21 LEU 61 3HD2 LEU 61 8.750 2.202 -4.422 519 HD22 LEU 61 1HD2 LEU 61 8.986 2.960 -5.998 520 HD23 LEU 61 2HD2 LEU 61 8.132 1.422 -5.878 521 H SER 62 H SER 62 6.351 2.344 -9.036 522 HA SER 62 HA SER 62 5.741 4.120 -11.276 523 HB2 SER 62 2HB SER 62 7.214 2.314 -11.859 524 HB3 SER 62 1HB SER 62 6.151 1.132 -11.101 525 HG SER 62 HG SER 62 5.829 1.070 -13.310 526 H TYR 63 H TYR 63 3.780 4.226 -12.200 527 HA TYR 63 HA TYR 63 1.446 3.861 -10.737 528 HB2 TYR 63 2HB TYR 63 1.586 5.428 -12.566 529 HB3 TYR 63 1HB TYR 63 1.923 4.139 -13.710 530 HD1 TYR 63 2HD TYR 63 -0.707 5.669 -11.607 531 HD2 TYR 63 1HD TYR 63 0.168 2.912 -14.727 532 HE1 TYR 63 2HE TYR 63 -3.105 5.528 -12.148 533 HE2 TYR 63 1HE TYR 63 -2.219 2.768 -15.277 534 HH TYR 63 HH TYR 63 -4.484 4.929 -14.286 535 H LYS 64 H LYS 64 3.144 1.741 -12.895 536 HA LYS 64 HA LYS 64 1.105 -0.211 -13.251 537 HB2 LYS 64 2HB LYS 64 3.294 0.241 -14.597 538 HB3 LYS 64 1HB LYS 64 4.065 -0.750 -13.375 539 HG2 LYS 64 2HG LYS 64 1.731 -1.736 -14.975 540 HG3 LYS 64 1HG LYS 64 3.391 -1.866 -15.551 541 HD2 LYS 64 2HD LYS 64 3.895 -3.049 -13.359 542 HD3 LYS 64 1HD LYS 64 2.147 -3.144 -13.129 543 HE2 LYS 64 2HE LYS 64 1.962 -4.300 -15.307 544 HE3 LYS 64 1HE LYS 64 3.719 -4.277 -15.443 545 HZ1 LYS 64 3HZ LYS 64 2.051 -5.764 -13.508 546 HZ2 LYS 64 1HZ LYS 64 3.710 -5.511 -13.247 547 HZ3 LYS 64 2HZ LYS 64 3.183 -6.373 -14.609 548 H GLN 65 H GLN 65 3.674 0.342 -10.941 549 HA GLN 65 HA GLN 65 3.401 -2.183 -9.621 550 HB2 GLN 65 2HB GLN 65 4.728 0.344 -8.622 551 HB3 GLN 65 1HB GLN 65 4.956 -1.274 -7.979 552 HG2 GLN 65 2HG GLN 65 5.793 -0.258 -10.680 553 HG3 GLN 65 1HG GLN 65 6.839 -0.695 -9.332 554 HE21 GLN 65 1HE2 GLN 65 7.150 -2.868 -8.839 555 HE22 GLN 65 2HE2 GLN 65 6.793 -4.127 -9.974 556 H VAL 66 H VAL 66 2.339 1.144 -8.981 557 HA VAL 66 HA VAL 66 1.238 0.593 -6.423 558 HB VAL 66 HB VAL 66 0.531 2.851 -8.319 559 HG11 VAL 66 1HG1 VAL 66 0.026 2.549 -5.359 560 HG12 VAL 66 2HG1 VAL 66 -1.196 2.508 -6.629 561 HG13 VAL 66 3HG1 VAL 66 -0.298 3.994 -6.320 562 HG21 VAL 66 3HG2 VAL 66 2.480 2.736 -6.016 563 HG22 VAL 66 1HG2 VAL 66 2.086 4.167 -6.969 564 HG23 VAL 66 2HG2 VAL 66 2.903 2.801 -7.727 565 H LYS 67 H LYS 67 -0.167 0.600 -9.671 566 HA LYS 67 HA LYS 67 -2.830 0.160 -8.867 567 HB2 LYS 67 2HB LYS 67 -2.234 0.899 -11.138 568 HB3 LYS 67 1HB LYS 67 -1.469 -0.655 -11.443 569 HG2 LYS 67 2HG LYS 67 -3.727 -1.704 -10.982 570 HG3 LYS 67 1HG LYS 67 -4.390 -0.071 -11.060 571 HD2 LYS 67 2HD LYS 67 -2.832 -1.441 -13.253 572 HD3 LYS 67 1HD LYS 67 -4.584 -1.255 -13.205 573 HE2 LYS 67 2HE LYS 67 -2.592 1.008 -13.254 574 HE3 LYS 67 1HE LYS 67 -3.479 0.410 -14.653 575 HZ1 LYS 67 3HZ LYS 67 -4.577 2.335 -13.806 576 HZ2 LYS 67 1HZ LYS 67 -4.625 1.699 -12.236 577 HZ3 LYS 67 2HZ LYS 67 -5.555 0.991 -13.463 578 H THR 68 H THR 68 -0.226 -2.046 -9.745 579 HA THR 68 HA THR 68 -1.770 -4.403 -9.725 580 HB THR 68 HB THR 68 1.213 -4.053 -9.373 581 HG1 THR 68 1HG THR 68 0.793 -3.349 -11.372 582 HG21 THR 68 3HG2 THR 68 1.404 -6.379 -10.076 583 HG22 THR 68 1HG2 THR 68 -0.350 -6.516 -10.166 584 HG23 THR 68 2HG2 THR 68 0.434 -6.268 -8.606 585 H TRP 69 H TRP 69 0.208 -2.837 -7.224 586 HA TRP 69 HA TRP 69 0.004 -4.840 -5.270 587 HB2 TRP 69 2HB TRP 69 1.535 -2.904 -5.099 588 HB3 TRP 69 1HB TRP 69 0.153 -1.841 -4.866 589 HD1 TRP 69 HD TRP 69 2.212 -4.514 -3.062 590 HE1 TRP 69 1HE TRP 69 1.730 -4.360 -0.540 591 HE3 TRP 69 3HE TRP 69 -1.598 -1.103 -3.163 592 HZ2 TRP 69 2HZ TRP 69 -0.045 -2.997 1.178 593 HZ3 TRP 69 3HZ TRP 69 -2.640 -0.434 -1.038 594 HH2 TRP 69 HH TRP 69 -1.877 -1.363 1.090 595 H PHE 70 H PHE 70 -2.035 -2.031 -5.938 596 HA PHE 70 HA PHE 70 -3.869 -2.398 -3.849 597 HB2 PHE 70 2HB PHE 70 -3.710 -0.292 -5.054 598 HB3 PHE 70 1HB PHE 70 -4.223 -1.071 -6.546 599 HD1 PHE 70 1HD PHE 70 -5.360 -0.209 -3.119 600 HD2 PHE 70 2HD PHE 70 -6.476 -1.220 -7.098 601 HE1 PHE 70 1HE PHE 70 -7.705 0.327 -2.596 602 HE2 PHE 70 2HE PHE 70 -8.818 -0.679 -6.586 603 HZ PHE 70 HZ PHE 70 -9.437 0.095 -4.331 604 H GLN 71 H GLN 71 -3.975 -3.500 -7.238 605 HA GLN 71 HA GLN 71 -6.570 -4.628 -7.024 606 HB2 GLN 71 2HB GLN 71 -4.364 -5.191 -9.008 607 HB3 GLN 71 1HB GLN 71 -6.015 -5.780 -9.156 608 HG2 GLN 71 2HG GLN 71 -5.147 -2.899 -9.134 609 HG3 GLN 71 1HG GLN 71 -5.666 -3.826 -10.541 610 HE21 GLN 71 1HE2 GLN 71 -6.760 -1.384 -9.428 611 HE22 GLN 71 2HE2 GLN 71 -8.419 -1.705 -9.057 612 H ASN 72 H ASN 72 -3.389 -5.878 -6.362 613 HA ASN 72 HA ASN 72 -4.102 -8.627 -6.263 614 HB2 ASN 72 2HB ASN 72 -1.760 -7.833 -6.528 615 HB3 ASN 72 1HB ASN 72 -1.805 -7.207 -4.884 616 HD21 ASN 72 1HD2 ASN 72 -0.063 -8.519 -4.316 617 HD22 ASN 72 2HD2 ASN 72 -0.239 -10.218 -4.067 618 H GLN 73 H GLN 73 -3.660 -6.128 -3.779 619 HA GLN 73 HA GLN 73 -4.529 -7.707 -1.600 620 HB2 GLN 73 2HB GLN 73 -4.544 -4.705 -1.982 621 HB3 GLN 73 1HB GLN 73 -4.885 -5.511 -0.457 622 HG2 GLN 73 2HG GLN 73 -2.299 -5.688 -1.990 623 HG3 GLN 73 1HG GLN 73 -2.590 -4.673 -0.579 624 HE21 GLN 73 1HE2 GLN 73 -0.669 -6.839 -1.002 625 HE22 GLN 73 2HE2 GLN 73 -0.963 -7.989 0.253 626 H ARG 74 H ARG 74 -6.180 -5.862 -4.034 627 HA ARG 74 HA ARG 74 -8.741 -5.846 -2.810 628 HB2 ARG 74 2HB ARG 74 -7.801 -4.411 -4.748 629 HB3 ARG 74 1HB ARG 74 -8.240 -5.763 -5.777 630 HG2 ARG 74 2HG ARG 74 -10.294 -4.580 -3.972 631 HG3 ARG 74 1HG ARG 74 -9.850 -3.735 -5.452 632 HD2 ARG 74 2HD ARG 74 -11.568 -5.004 -6.243 633 HD3 ARG 74 1HD ARG 74 -10.231 -6.120 -6.514 634 HE ARG 74 HE ARG 74 -11.009 -6.904 -4.111 635 HH11 ARG 74 1HH1 ARG 74 -12.895 -6.136 -6.964 636 HH12 ARG 74 2HH1 ARG 74 -14.227 -7.158 -6.509 637 HH21 ARG 74 1HH2 ARG 74 -12.768 -8.255 -3.523 638 HH22 ARG 74 2HH2 ARG 74 -14.171 -8.331 -4.550 639 H MET 75 H MET 75 -7.232 -7.942 -5.295 640 HA MET 75 HA MET 75 -9.671 -9.445 -5.609 641 HB2 MET 75 2HB MET 75 -8.530 -10.718 -7.272 642 HB3 MET 75 1HB MET 75 -8.052 -9.037 -7.465 643 HG2 MET 75 2HG MET 75 -5.928 -9.463 -6.443 644 HG3 MET 75 1HG MET 75 -6.411 -11.106 -6.022 645 HE1 MET 75 3HE MET 75 -3.672 -11.686 -8.758 646 HE2 MET 75 1HE MET 75 -4.174 -12.015 -7.100 647 HE3 MET 75 2HE MET 75 -3.689 -10.386 -7.565 648 H LYS 76 H LYS 76 -7.100 -9.669 -3.397 649 HA LYS 76 HA LYS 76 -6.830 -12.451 -3.122 650 HB2 LYS 76 2HB LYS 76 -5.803 -12.028 -0.995 651 HB3 LYS 76 1HB LYS 76 -5.307 -10.755 -2.100 652 HG2 LYS 76 2HG LYS 76 -6.908 -9.233 -1.111 653 HG3 LYS 76 1HG LYS 76 -7.488 -10.507 -0.038 654 HD2 LYS 76 2HD LYS 76 -5.252 -10.643 0.978 655 HD3 LYS 76 1HD LYS 76 -4.706 -9.336 -0.078 656 HE2 LYS 76 2HE LYS 76 -6.400 -7.854 0.909 657 HE3 LYS 76 1HE LYS 76 -6.907 -9.162 1.977 658 HZ1 LYS 76 3HZ LYS 76 -4.693 -9.174 2.946 659 HZ2 LYS 76 1HZ LYS 76 -5.419 -7.649 3.105 660 HZ3 LYS 76 2HZ LYS 76 -4.222 -7.898 1.928 661 H SER 77 H SER 77 -9.289 -10.273 -1.980 662 HA SER 77 HA SER 77 -10.357 -11.956 0.037 663 HB2 SER 77 2HB SER 77 -11.768 -9.771 -1.507 664 HB3 SER 77 1HB SER 77 -12.214 -10.408 0.076 665 HG SER 77 HG SER 77 -11.064 -8.673 0.611 666 H LYS 78 H LYS 78 -10.780 -11.774 -3.415 667 HA LYS 78 HA LYS 78 -13.157 -13.462 -3.297 668 HB2 LYS 78 2HB LYS 78 -13.241 -11.603 -4.868 669 HB3 LYS 78 1HB LYS 78 -11.770 -12.165 -5.651 670 HG2 LYS 78 2HG LYS 78 -12.910 -14.184 -6.385 671 HG3 LYS 78 1HG LYS 78 -14.379 -13.662 -5.561 672 HD2 LYS 78 2HD LYS 78 -14.587 -11.764 -7.031 673 HD3 LYS 78 1HD LYS 78 -13.034 -12.135 -7.786 674 HE2 LYS 78 2HE LYS 78 -15.466 -13.920 -7.838 675 HE3 LYS 78 1HE LYS 78 -14.958 -12.860 -9.151 676 HZ1 LYS 78 3HZ LYS 78 -12.896 -14.108 -9.318 677 HZ2 LYS 78 1HZ LYS 78 -14.231 -15.135 -9.513 678 HZ3 LYS 78 2HZ LYS 78 -13.377 -15.125 -8.048 679 H ARG 79 H ARG 79 -9.839 -13.521 -4.574 680 HA ARG 79 HA ARG 79 -10.214 -16.396 -5.107 681 HB2 ARG 79 2HB ARG 79 -8.089 -14.550 -6.215 682 HB3 ARG 79 1HB ARG 79 -8.355 -16.226 -6.669 683 HG2 ARG 79 2HG ARG 79 -10.497 -15.665 -7.631 684 HG3 ARG 79 1HG ARG 79 -10.323 -13.992 -7.100 685 HD2 ARG 79 2HD ARG 79 -9.754 -14.108 -9.421 686 HD3 ARG 79 1HD ARG 79 -8.279 -13.820 -8.500 687 HE ARG 79 HE ARG 79 -8.910 -16.586 -9.208 688 HH11 ARG 79 1HH1 ARG 79 -7.002 -13.707 -9.794 689 HH12 ARG 79 2HH1 ARG 79 -5.803 -14.534 -10.742 690 HH21 ARG 79 1HH2 ARG 79 -7.351 -17.671 -10.513 691 HH22 ARG 79 2HH2 ARG 79 -6.045 -16.759 -11.213 692 H TRP 80 H TRP 80 -7.307 -14.458 -4.604 693 HA TRP 80 HA TRP 80 -6.567 -15.207 -2.057 694 HB2 TRP 80 2HB TRP 80 -6.648 -17.538 -3.142 695 HB3 TRP 80 1HB TRP 80 -5.244 -17.034 -4.075 696 HD1 TRP 80 HD TRP 80 -2.919 -17.177 -2.915 697 HE1 TRP 80 1HE TRP 80 -2.110 -17.965 -0.602 698 HE3 TRP 80 3HE TRP 80 -7.449 -17.593 -0.584 699 HZ2 TRP 80 2HZ TRP 80 -3.250 -18.676 1.877 700 HZ3 TRP 80 3HZ TRP 80 -7.499 -18.340 1.760 701 HH2 TRP 80 HH TRP 80 -5.442 -18.871 2.963 702 H GLN 81 H GLN 81 -4.319 -14.569 -1.624 703 HA GLN 81 HA GLN 81 -3.435 -12.564 -3.510 704 HB2 GLN 81 2HB GLN 81 -1.800 -11.943 -1.793 705 HB3 GLN 81 1HB GLN 81 -3.424 -12.027 -1.129 706 HG2 GLN 81 2HG GLN 81 -2.905 -14.240 -0.190 707 HG3 GLN 81 1HG GLN 81 -1.264 -14.101 -0.821 708 HE21 GLN 81 1HE2 GLN 81 -2.139 -14.390 1.935 709 HE22 GLN 81 2HE2 GLN 81 -1.529 -13.004 2.784 710 H LYS 82 H LYS 82 -1.669 -12.650 -4.805 711 HA LYS 82 HA LYS 82 -0.066 -15.121 -4.694 712 HB2 LYS 82 2HB LYS 82 -1.811 -14.322 -6.744 713 HB3 LYS 82 1HB LYS 82 -0.198 -13.974 -7.350 714 HG2 LYS 82 2HG LYS 82 -1.140 -16.639 -6.305 715 HG3 LYS 82 1HG LYS 82 -0.967 -16.200 -8.006 716 HD2 LYS 82 2HD LYS 82 1.417 -15.906 -7.728 717 HD3 LYS 82 1HD LYS 82 1.282 -16.201 -5.993 718 HE2 LYS 82 2HE LYS 82 0.719 -18.173 -8.207 719 HE3 LYS 82 1HE LYS 82 2.104 -18.182 -7.116 720 HZ1 LYS 82 3HZ LYS 82 -0.696 -18.884 -6.570 721 HZ2 LYS 82 1HZ LYS 82 0.269 -18.292 -5.304 722 HZ3 LYS 82 2HZ LYS 82 0.726 -19.698 -6.131 723 H ASN 83 H ASN 83 2.117 -14.883 -4.867 724 HA ASN 83 HA ASN 83 3.197 -12.196 -4.784 725 HB2 ASN 83 2HB ASN 83 4.127 -13.926 -3.311 726 HB3 ASN 83 1HB ASN 83 4.576 -14.895 -4.712 727 HD21 ASN 83 1HD2 ASN 83 6.341 -14.272 -5.973 728 HD22 ASN 83 2HD2 ASN 83 7.489 -13.102 -5.428 729 H ASN 84 H ASN 84 3.303 -15.001 -6.896 730 HA ASN 84 HA ASN 84 3.763 -15.291 -9.089 731 HB2 ASN 84 2HB ASN 84 2.237 -13.362 -9.419 732 HB3 ASN 84 1HB ASN 84 3.616 -12.275 -9.289 733 HD21 ASN 84 1HD2 ASN 84 3.424 -11.456 -11.339 734 HD22 ASN 84 2HD2 ASN 84 3.745 -12.386 -12.765 Start of MODEL 2 1 H1 SER 1 H1 SER 1 -4.934 15.757 -4.845 2 H2 SER 1 H2 SER 1 -4.480 14.849 -6.199 3 H3 SER 1 H3 SER 1 -4.178 14.251 -4.642 4 HA SER 1 HA SER 1 -6.819 14.692 -5.894 5 HB2 SER 1 2HB SER 1 -5.598 12.696 -6.713 6 HB3 SER 1 1HB SER 1 -5.454 12.120 -5.054 7 HG SER 1 HG SER 1 -7.892 12.595 -6.436 8 H LYS 2 H LYS 2 -5.434 12.844 -3.136 9 HA LYS 2 HA LYS 2 -6.952 14.366 -1.243 10 HB2 LYS 2 2HB LYS 2 -8.619 12.767 -2.445 11 HB3 LYS 2 1HB LYS 2 -7.866 11.513 -1.468 12 HG2 LYS 2 2HG LYS 2 -8.479 12.679 0.560 13 HG3 LYS 2 1HG LYS 2 -9.156 14.008 -0.384 14 HD2 LYS 2 2HD LYS 2 -10.752 12.378 -1.393 15 HD3 LYS 2 1HD LYS 2 -10.143 11.162 -0.266 16 HE2 LYS 2 2HE LYS 2 -10.795 12.605 1.613 17 HE3 LYS 2 1HE LYS 2 -11.444 13.781 0.470 18 HZ1 LYS 2 3HZ LYS 2 -12.949 11.983 -0.333 19 HZ2 LYS 2 1HZ LYS 2 -13.238 12.469 1.269 20 HZ3 LYS 2 2HZ LYS 2 -12.416 11.021 0.953 21 H GLN 3 H GLN 3 -4.225 13.236 -1.759 22 HA GLN 3 HA GLN 3 -3.507 11.252 0.026 23 HB2 GLN 3 2HB GLN 3 -1.278 12.371 0.103 24 HB3 GLN 3 1HB GLN 3 -1.897 12.129 -1.524 25 HG2 GLN 3 2HG GLN 3 -2.504 14.438 -1.707 26 HG3 GLN 3 1HG GLN 3 -2.117 14.722 -0.011 27 HE21 GLN 3 1HE2 GLN 3 -1.074 15.952 -2.483 28 HE22 GLN 3 2HE2 GLN 3 0.642 15.746 -2.401 29 HA PRO 4 HA PRO 4 -4.252 12.991 4.023 30 HB2 PRO 4 2HB PRO 4 -2.698 11.388 5.526 31 HB3 PRO 4 1HB PRO 4 -4.173 10.804 4.746 32 HG2 PRO 4 2HG PRO 4 -1.322 10.498 3.876 33 HG3 PRO 4 1HG PRO 4 -2.626 9.295 3.875 34 HD2 PRO 4 2HD PRO 4 -1.847 10.671 1.652 35 HD3 PRO 4 1HD PRO 4 -3.499 10.070 1.896 36 H THR 5 H THR 5 -1.334 13.284 2.412 37 HA THR 5 HA THR 5 0.172 14.407 4.608 38 HB THR 5 HB THR 5 1.541 14.917 2.215 39 HG1 THR 5 1HG THR 5 0.810 13.460 0.869 40 HG21 THR 5 3HG2 THR 5 2.555 14.196 4.315 41 HG22 THR 5 1HG2 THR 5 3.022 13.111 3.005 42 HG23 THR 5 2HG2 THR 5 1.786 12.616 4.162 43 H SER 6 H SER 6 -1.339 16.163 5.025 44 HA SER 6 HA SER 6 -0.864 18.460 3.241 45 HB2 SER 6 2HB SER 6 -2.852 18.241 5.523 46 HB3 SER 6 1HB SER 6 -2.740 19.546 4.341 47 HG SER 6 HG SER 6 -2.966 17.239 3.030 48 H ALA 7 H ALA 7 -0.778 17.318 6.558 49 HA ALA 7 HA ALA 7 1.616 18.939 7.006 50 HB1 ALA 7 1HB ALA 7 -0.674 18.754 8.974 51 HB2 ALA 7 2HB ALA 7 -0.234 20.183 8.040 52 HB3 ALA 7 3HB ALA 7 0.873 19.549 9.258 53 H GLU 8 H GLU 8 -0.214 17.081 9.341 54 HA GLU 8 HA GLU 8 1.404 14.701 8.829 55 HB2 GLU 8 2HB GLU 8 0.942 15.934 11.552 56 HB3 GLU 8 1HB GLU 8 1.528 14.295 11.307 57 HG2 GLU 8 2HG GLU 8 3.559 15.193 11.427 58 HG3 GLU 8 1HG GLU 8 3.261 15.768 9.790 59 H ASN 9 H ASN 9 0.337 12.819 10.225 60 HA ASN 9 HA ASN 9 -2.449 12.907 9.367 61 HB2 ASN 9 2HB ASN 9 -0.705 11.000 8.866 62 HB3 ASN 9 1HB ASN 9 -1.156 10.441 10.476 63 HD21 ASN 9 1HD2 ASN 9 -1.619 9.048 8.032 64 HD22 ASN 9 2HD2 ASN 9 -3.334 8.899 7.827 65 H SER 10 H SER 10 -4.179 12.632 10.711 66 HA SER 10 HA SER 10 -3.704 12.916 13.572 67 HB2 SER 10 2HB SER 10 -6.325 12.861 12.055 68 HB3 SER 10 1HB SER 10 -6.081 13.397 13.719 69 HG SER 10 HG SER 10 -4.439 14.715 12.028 70 H VAL 11 H VAL 11 -4.298 11.405 15.081 71 HA VAL 11 HA VAL 11 -4.378 9.348 15.971 72 HB VAL 11 HB VAL 11 -6.174 7.961 15.582 73 HG11 VAL 11 1HG1 VAL 11 -8.122 9.365 15.103 74 HG12 VAL 11 2HG1 VAL 11 -7.045 10.622 14.495 75 HG13 VAL 11 3HG1 VAL 11 -6.968 10.141 16.189 76 HG21 VAL 11 3HG2 VAL 11 -7.392 7.672 13.497 77 HG22 VAL 11 1HG2 VAL 11 -5.679 7.314 13.281 78 HG23 VAL 11 2HG2 VAL 11 -6.340 8.844 12.703 79 H ALA 12 H ALA 12 -4.104 6.930 15.512 80 HA ALA 12 HA ALA 12 -2.757 5.261 14.797 81 HB1 ALA 12 1HB ALA 12 -3.922 5.545 12.656 82 HB2 ALA 12 2HB ALA 12 -2.243 5.052 12.437 83 HB3 ALA 12 3HB ALA 12 -2.713 6.730 12.165 84 H LYS 13 H LYS 13 -0.957 5.382 15.970 85 HA LYS 13 HA LYS 13 1.004 7.461 15.598 86 HB2 LYS 13 2HB LYS 13 2.231 6.262 17.401 87 HB3 LYS 13 1HB LYS 13 0.574 6.646 17.840 88 HG2 LYS 13 2HG LYS 13 -0.057 4.310 17.221 89 HG3 LYS 13 1HG LYS 13 1.658 3.968 17.001 90 HD2 LYS 13 2HD LYS 13 2.035 4.655 19.362 91 HD3 LYS 13 1HD LYS 13 0.290 4.819 19.551 92 HE2 LYS 13 2HE LYS 13 0.087 2.418 18.842 93 HE3 LYS 13 1HE LYS 13 1.844 2.312 18.935 94 HZ1 LYS 13 3HZ LYS 13 1.021 1.527 20.978 95 HZ2 LYS 13 1HZ LYS 13 -0.066 2.821 21.143 96 HZ3 LYS 13 2HZ LYS 13 1.600 3.091 21.299 97 H LYS 14 H LYS 14 1.104 6.718 13.248 98 HA LYS 14 HA LYS 14 2.142 5.734 11.502 99 HB2 LYS 14 2HB LYS 14 4.179 4.984 13.603 100 HB3 LYS 14 1HB LYS 14 4.381 4.632 11.893 101 HG2 LYS 14 2HG LYS 14 4.061 7.381 13.084 102 HG3 LYS 14 1HG LYS 14 5.582 6.652 12.564 103 HD2 LYS 14 2HD LYS 14 4.820 6.566 10.283 104 HD3 LYS 14 1HD LYS 14 3.213 7.119 10.757 105 HE2 LYS 14 2HE LYS 14 4.492 8.941 9.788 106 HE3 LYS 14 1HE LYS 14 4.164 9.251 11.490 107 HZ1 LYS 14 3HZ LYS 14 6.421 9.823 11.008 108 HZ2 LYS 14 1HZ LYS 14 6.729 8.305 10.317 109 HZ3 LYS 14 2HZ LYS 14 6.432 8.439 11.985 110 H GLU 15 H GLU 15 0.059 4.554 12.147 111 HA GLU 15 HA GLU 15 -1.162 2.696 11.860 112 HB2 GLU 15 2HB GLU 15 1.487 1.344 11.344 113 HB3 GLU 15 1HB GLU 15 -0.091 0.600 11.095 114 HG2 GLU 15 2HG GLU 15 1.172 2.865 9.605 115 HG3 GLU 15 1HG GLU 15 0.530 1.343 8.980 116 H ASP 16 H ASP 16 -1.659 0.568 12.809 117 HA ASP 16 HA ASP 16 -0.993 0.618 15.647 118 HB2 ASP 16 2HB ASP 16 -3.386 0.365 14.589 119 HB3 ASP 16 1HB ASP 16 -2.920 -1.325 14.414 120 H LYS 17 H LYS 17 0.687 -0.522 16.282 121 HA LYS 17 HA LYS 17 1.910 -2.407 14.491 122 HB2 LYS 17 2HB LYS 17 2.756 -1.539 17.262 123 HB3 LYS 17 1HB LYS 17 3.740 -2.437 16.112 124 HG2 LYS 17 2HG LYS 17 3.780 -0.564 14.604 125 HG3 LYS 17 1HG LYS 17 2.657 0.329 15.633 126 HD2 LYS 17 2HD LYS 17 4.924 1.116 15.992 127 HD3 LYS 17 1HD LYS 17 4.323 0.312 17.441 128 HE2 LYS 17 2HE LYS 17 5.540 -1.723 16.805 129 HE3 LYS 17 1HE LYS 17 6.150 -0.903 15.368 130 HZ1 LYS 17 3HZ LYS 17 7.801 -0.863 17.098 131 HZ2 LYS 17 1HZ LYS 17 6.708 -0.161 18.191 132 HZ3 LYS 17 2HZ LYS 17 7.233 0.715 16.839 133 H VAL 18 H VAL 18 -0.116 -3.817 14.760 134 HA VAL 18 HA VAL 18 0.611 -5.893 16.707 135 HB VAL 18 HB VAL 18 -2.240 -5.096 16.077 136 HG11 VAL 18 1HG1 VAL 18 -2.025 -7.492 16.432 137 HG12 VAL 18 2HG1 VAL 18 -2.835 -6.744 17.808 138 HG13 VAL 18 3HG1 VAL 18 -1.138 -7.209 17.930 139 HG21 VAL 18 3HG2 VAL 18 -0.650 -4.789 18.620 140 HG22 VAL 18 1HG2 VAL 18 -2.368 -4.441 18.435 141 HG23 VAL 18 2HG2 VAL 18 -1.175 -3.483 17.557 142 HA PRO 19 HA PRO 19 0.265 -7.857 12.603 143 HB2 PRO 19 2HB PRO 19 2.760 -9.131 12.975 144 HB3 PRO 19 1HB PRO 19 2.430 -7.726 11.963 145 HG2 PRO 19 2HG PRO 19 4.003 -7.755 14.279 146 HG3 PRO 19 1HG PRO 19 3.375 -6.316 13.457 147 HD2 PRO 19 2HD PRO 19 2.350 -7.716 15.884 148 HD3 PRO 19 1HD PRO 19 2.323 -5.987 15.473 149 H VAL 20 H VAL 20 -1.302 -9.336 13.117 150 HA VAL 20 HA VAL 20 -0.396 -11.724 14.560 151 HB VAL 20 HB VAL 20 -3.215 -10.645 14.602 152 HG11 VAL 20 1HG1 VAL 20 -3.110 -13.070 14.814 153 HG12 VAL 20 2HG1 VAL 20 -3.593 -12.328 16.340 154 HG13 VAL 20 3HG1 VAL 20 -1.944 -12.913 16.129 155 HG21 VAL 20 3HG2 VAL 20 -1.715 -9.194 15.864 156 HG22 VAL 20 1HG2 VAL 20 -1.119 -10.585 16.767 157 HG23 VAL 20 2HG2 VAL 20 -2.799 -10.076 16.941 158 H LYS 21 H LYS 21 0.214 -12.374 12.391 159 HA LYS 21 HA LYS 21 -1.723 -14.225 11.440 160 HB2 LYS 21 2HB LYS 21 -2.445 -12.255 10.130 161 HB3 LYS 21 1HB LYS 21 -0.812 -12.087 9.491 162 HG2 LYS 21 2HG LYS 21 -1.007 -14.313 8.461 163 HG3 LYS 21 1HG LYS 21 -2.659 -14.430 9.063 164 HD2 LYS 21 2HD LYS 21 -1.652 -12.314 7.165 165 HD3 LYS 21 1HD LYS 21 -2.527 -13.770 6.687 166 HE2 LYS 21 2HE LYS 21 -4.394 -13.005 8.192 167 HE3 LYS 21 1HE LYS 21 -3.530 -11.474 8.360 168 HZ1 LYS 21 3HZ LYS 21 -4.615 -12.662 5.867 169 HZ2 LYS 21 1HZ LYS 21 -3.595 -11.308 5.890 170 HZ3 LYS 21 2HZ LYS 21 -5.120 -11.230 6.630 171 H LYS 22 H LYS 22 -0.755 -15.944 10.474 172 HA LYS 22 HA LYS 22 2.110 -16.102 10.585 173 HB2 LYS 22 2HB LYS 22 0.694 -18.024 11.155 174 HB3 LYS 22 1HB LYS 22 0.048 -18.045 9.522 175 HG2 LYS 22 2HG LYS 22 2.275 -18.582 8.655 176 HG3 LYS 22 1HG LYS 22 2.907 -18.584 10.303 177 HD2 LYS 22 2HD LYS 22 1.416 -20.411 10.892 178 HD3 LYS 22 1HD LYS 22 0.719 -20.387 9.272 179 HE2 LYS 22 2HE LYS 22 2.853 -21.023 8.311 180 HE3 LYS 22 1HE LYS 22 3.615 -20.953 9.900 181 HZ1 LYS 22 3HZ LYS 22 2.231 -22.761 10.634 182 HZ2 LYS 22 1HZ LYS 22 3.055 -23.225 9.226 183 HZ3 LYS 22 2HZ LYS 22 1.415 -22.800 9.149 184 H GLN 23 H GLN 23 2.472 -14.297 9.073 185 HA GLN 23 HA GLN 23 2.666 -15.320 6.350 186 HB2 GLN 23 2HB GLN 23 1.745 -13.315 5.349 187 HB3 GLN 23 1HB GLN 23 0.560 -14.032 6.429 188 HG2 GLN 23 2HG GLN 23 0.991 -12.370 8.103 189 HG3 GLN 23 1HG GLN 23 2.337 -11.719 7.168 190 HE21 GLN 23 1HE2 GLN 23 -0.030 -10.364 8.126 191 HE22 GLN 23 2HE2 GLN 23 -0.824 -9.724 6.733 192 H LYS 24 H LYS 24 4.671 -15.081 5.685 193 HA LYS 24 HA LYS 24 6.017 -12.539 6.291 194 HB2 LYS 24 2HB LYS 24 7.170 -15.312 6.104 195 HB3 LYS 24 1HB LYS 24 8.170 -13.909 5.759 196 HG2 LYS 24 2HG LYS 24 8.561 -14.453 8.021 197 HG3 LYS 24 1HG LYS 24 7.520 -13.030 8.034 198 HD2 LYS 24 2HD LYS 24 5.617 -14.869 8.131 199 HD3 LYS 24 1HD LYS 24 6.923 -15.834 8.824 200 HE2 LYS 24 2HE LYS 24 5.993 -13.142 9.827 201 HE3 LYS 24 1HE LYS 24 5.606 -14.697 10.555 202 HZ1 LYS 24 3HZ LYS 24 7.939 -15.035 11.037 203 HZ2 LYS 24 1HZ LYS 24 7.412 -13.568 11.706 204 HZ3 LYS 24 2HZ LYS 24 8.340 -13.562 10.290 205 H THR 25 H THR 25 5.548 -11.381 4.565 206 HA THR 25 HA THR 25 4.869 -12.621 2.078 207 HB THR 25 HB THR 25 5.072 -9.655 2.417 208 HG1 THR 25 1HG THR 25 2.772 -10.938 3.373 209 HG21 THR 25 3HG2 THR 25 4.235 -10.611 0.303 210 HG22 THR 25 1HG2 THR 25 2.985 -9.694 1.144 211 HG23 THR 25 2HG2 THR 25 2.971 -11.457 1.195 212 H ARG 26 H ARG 26 7.817 -12.336 3.081 213 HA ARG 26 HA ARG 26 9.861 -12.270 2.076 214 HB2 ARG 26 2HB ARG 26 8.288 -11.812 -0.467 215 HB3 ARG 26 1HB ARG 26 10.011 -12.140 -0.391 216 HG2 ARG 26 2HG ARG 26 9.660 -14.349 0.355 217 HG3 ARG 26 1HG ARG 26 7.960 -14.033 0.708 218 HD2 ARG 26 2HD ARG 26 8.258 -15.322 -1.368 219 HD3 ARG 26 1HD ARG 26 7.481 -13.764 -1.646 220 HE ARG 26 HE ARG 26 10.344 -13.727 -2.003 221 HH11 ARG 26 1HH1 ARG 26 7.249 -14.298 -3.557 222 HH12 ARG 26 2HH1 ARG 26 7.859 -14.037 -5.159 223 HH21 ARG 26 1HH2 ARG 26 11.151 -13.402 -4.110 224 HH22 ARG 26 2HH2 ARG 26 10.078 -13.532 -5.479 225 H THR 27 H THR 27 8.050 -9.914 0.123 226 HA THR 27 HA THR 27 10.034 -7.880 0.822 227 HB THR 27 HB THR 27 8.881 -6.573 -1.015 228 HG1 THR 27 1HG THR 27 6.990 -8.142 -0.849 229 HG21 THR 27 3HG2 THR 27 10.106 -9.231 -1.781 230 HG22 THR 27 1HG2 THR 27 10.998 -7.758 -1.398 231 HG23 THR 27 2HG2 THR 27 9.966 -7.817 -2.827 232 H VAL 28 H VAL 28 9.453 -5.944 1.744 233 HA VAL 28 HA VAL 28 6.671 -5.656 2.630 234 HB VAL 28 HB VAL 28 7.450 -4.897 4.858 235 HG11 VAL 28 1HG1 VAL 28 7.989 -7.121 5.765 236 HG12 VAL 28 2HG1 VAL 28 8.252 -7.708 4.120 237 HG13 VAL 28 3HG1 VAL 28 6.650 -7.162 4.619 238 HG21 VAL 28 3HG2 VAL 28 9.721 -4.239 4.264 239 HG22 VAL 28 1HG2 VAL 28 10.143 -5.923 3.957 240 HG23 VAL 28 2HG2 VAL 28 9.736 -5.400 5.591 241 H PHE 29 H PHE 29 6.211 -3.433 3.407 242 HA PHE 29 HA PHE 29 7.708 -1.474 1.837 243 HB2 PHE 29 2HB PHE 29 4.968 -1.340 3.114 244 HB3 PHE 29 1HB PHE 29 5.723 -0.027 2.226 245 HD1 PHE 29 1HD PHE 29 5.960 -0.125 -0.185 246 HD2 PHE 29 2HD PHE 29 4.074 -3.268 1.975 247 HE1 PHE 29 1HE PHE 29 5.023 -1.001 -2.288 248 HE2 PHE 29 2HE PHE 29 3.142 -4.157 -0.119 249 HZ PHE 29 HZ PHE 29 3.615 -3.022 -2.255 250 H SER 30 H SER 30 8.344 0.514 2.796 251 HA SER 30 HA SER 30 9.345 0.293 5.429 252 HB2 SER 30 2HB SER 30 9.016 2.795 3.761 253 HB3 SER 30 1HB SER 30 10.138 2.555 5.101 254 HG SER 30 HG SER 30 11.097 0.856 3.817 255 H SER 31 H SER 31 8.875 1.918 7.164 256 HA SER 31 HA SER 31 6.309 1.612 8.112 257 HB2 SER 31 2HB SER 31 8.152 3.888 8.851 258 HB3 SER 31 1HB SER 31 6.911 3.142 9.857 259 HG SER 31 HG SER 31 8.222 1.550 10.324 260 H THR 32 H THR 32 7.680 4.491 6.521 261 HA THR 32 HA THR 32 5.351 6.074 6.742 262 HB THR 32 HB THR 32 7.463 6.312 4.597 263 HG1 THR 32 1HG THR 32 8.705 6.434 6.351 264 HG21 THR 32 3HG2 THR 32 6.944 8.708 4.746 265 HG22 THR 32 1HG2 THR 32 5.699 8.360 5.946 266 HG23 THR 32 2HG2 THR 32 5.522 7.767 4.294 267 H GLN 33 H GLN 33 6.547 3.915 4.218 268 HA GLN 33 HA GLN 33 4.617 4.501 2.265 269 HB2 GLN 33 2HB GLN 33 6.250 2.012 2.766 270 HB3 GLN 33 1HB GLN 33 5.241 2.240 1.344 271 HG2 GLN 33 2HG GLN 33 6.561 4.079 0.607 272 HG3 GLN 33 1HG GLN 33 7.465 4.108 2.120 273 HE21 GLN 33 1HE2 GLN 33 6.623 1.129 0.529 274 HE22 GLN 33 2HE2 GLN 33 8.226 0.707 0.037 275 H LEU 34 H LEU 34 4.725 1.948 4.740 276 HA LEU 34 HA LEU 34 2.287 0.727 4.091 277 HB2 LEU 34 2HB LEU 34 3.816 0.915 6.671 278 HB3 LEU 34 1HB LEU 34 2.318 0.016 6.542 279 HG LEU 34 HG LEU 34 4.801 -0.541 4.913 280 HD11 LEU 34 1HD1 LEU 34 3.668 -1.992 7.303 281 HD12 LEU 34 2HD1 LEU 34 5.146 -1.029 7.280 282 HD13 LEU 34 3HD1 LEU 34 5.044 -2.513 6.333 283 HD21 LEU 34 3HD2 LEU 34 2.744 -1.185 3.778 284 HD22 LEU 34 1HD2 LEU 34 2.209 -2.059 5.212 285 HD23 LEU 34 2HD2 LEU 34 3.627 -2.613 4.320 286 H CYS 35 H CYS 35 3.020 3.349 6.353 287 HA CYS 35 HA CYS 35 0.521 3.563 7.549 288 HB2 CYS 35 2HB CYS 35 2.612 4.667 8.343 289 HB3 CYS 35 1HB CYS 35 2.463 5.825 7.024 290 HG CYS 35 HG CYS 35 -0.188 5.502 9.093 291 H VAL 36 H VAL 36 1.791 5.314 4.715 292 HA VAL 36 HA VAL 36 -0.545 6.887 4.355 293 HB VAL 36 HB VAL 36 1.510 6.166 2.255 294 HG11 VAL 36 1HG1 VAL 36 0.810 8.258 1.190 295 HG12 VAL 36 2HG1 VAL 36 -0.412 8.485 2.443 296 HG13 VAL 36 3HG1 VAL 36 -0.534 7.125 1.327 297 HG21 VAL 36 3HG2 VAL 36 2.609 8.264 2.861 298 HG22 VAL 36 1HG2 VAL 36 2.581 7.137 4.217 299 HG23 VAL 36 2HG2 VAL 36 1.452 8.494 4.173 300 H LEU 37 H LEU 37 0.537 3.815 2.970 301 HA LEU 37 HA LEU 37 -1.545 3.501 1.098 302 HB2 LEU 37 2HB LEU 37 0.160 1.474 2.543 303 HB3 LEU 37 1HB LEU 37 -0.994 1.039 1.298 304 HG LEU 37 HG LEU 37 1.351 2.892 0.865 305 HD11 LEU 37 1HD1 LEU 37 1.012 -0.017 0.146 306 HD12 LEU 37 2HD1 LEU 37 2.110 0.630 1.366 307 HD13 LEU 37 3HD1 LEU 37 2.356 1.015 -0.338 308 HD21 LEU 37 3HD2 LEU 37 -0.541 3.277 -0.643 309 HD22 LEU 37 1HD2 LEU 37 -0.549 1.566 -1.069 310 HD23 LEU 37 2HD2 LEU 37 0.832 2.575 -1.498 311 H ASN 38 H ASN 38 -1.224 2.400 4.460 312 HA ASN 38 HA ASN 38 -3.720 1.009 4.423 313 HB2 ASN 38 2HB ASN 38 -1.769 0.551 6.000 314 HB3 ASN 38 1HB ASN 38 -2.294 1.970 6.904 315 HD21 ASN 38 1HD2 ASN 38 -2.894 0.926 8.738 316 HD22 ASN 38 2HD2 ASN 38 -4.236 -0.176 8.808 317 H ASP 39 H ASP 39 -2.689 4.233 5.379 318 HA ASP 39 HA ASP 39 -4.973 5.170 6.640 319 HB2 ASP 39 2HB ASP 39 -3.008 6.569 6.485 320 HB3 ASP 39 1HB ASP 39 -3.119 6.610 4.729 321 H ARG 40 H ARG 40 -4.272 4.963 3.181 322 HA ARG 40 HA ARG 40 -6.647 6.232 2.327 323 HB2 ARG 40 2HB ARG 40 -5.018 4.202 0.795 324 HB3 ARG 40 1HB ARG 40 -6.134 5.379 0.120 325 HG2 ARG 40 2HG ARG 40 -3.444 5.856 1.359 326 HG3 ARG 40 1HG ARG 40 -3.991 6.243 -0.272 327 HD2 ARG 40 2HD ARG 40 -4.864 7.554 2.298 328 HD3 ARG 40 1HD ARG 40 -3.869 8.267 1.031 329 HE ARG 40 HE ARG 40 -5.991 7.852 -0.388 330 HH11 ARG 40 1HH1 ARG 40 -5.926 8.753 2.999 331 HH12 ARG 40 2HH1 ARG 40 -7.423 9.627 2.919 332 HH21 ARG 40 1HH2 ARG 40 -7.978 8.969 -0.479 333 HH22 ARG 40 2HH2 ARG 40 -8.611 9.725 0.956 334 H PHE 41 H PHE 41 -5.816 2.825 2.819 335 HA PHE 41 HA PHE 41 -8.361 1.851 1.931 336 HB2 PHE 41 2HB PHE 41 -6.094 0.570 3.457 337 HB3 PHE 41 1HB PHE 41 -7.568 -0.299 3.029 338 HD1 PHE 41 1HD PHE 41 -8.148 0.774 0.402 339 HD2 PHE 41 2HD PHE 41 -4.432 -0.381 2.113 340 HE1 PHE 41 1HE PHE 41 -7.266 0.340 -1.833 341 HE2 PHE 41 2HE PHE 41 -3.532 -0.827 -0.134 342 HZ PHE 41 HZ PHE 41 -4.953 -0.468 -2.119 343 H GLN 42 H GLN 42 -7.133 3.107 4.863 344 HA GLN 42 HA GLN 42 -9.029 1.931 6.646 345 HB2 GLN 42 2HB GLN 42 -6.813 2.727 7.371 346 HB3 GLN 42 1HB GLN 42 -7.272 4.371 6.957 347 HG2 GLN 42 2HG GLN 42 -9.121 4.156 8.647 348 HG3 GLN 42 1HG GLN 42 -8.366 2.647 9.154 349 HE21 GLN 42 1HE2 GLN 42 -6.301 2.721 10.109 350 HE22 GLN 42 2HE2 GLN 42 -5.685 4.174 10.809 351 H ARG 43 H ARG 43 -8.667 5.127 5.123 352 HA ARG 43 HA ARG 43 -11.190 5.960 6.338 353 HB2 ARG 43 2HB ARG 43 -9.267 7.626 4.712 354 HB3 ARG 43 1HB ARG 43 -10.559 8.204 5.755 355 HG2 ARG 43 2HG ARG 43 -9.365 7.210 7.692 356 HG3 ARG 43 1HG ARG 43 -8.035 6.806 6.604 357 HD2 ARG 43 2HD ARG 43 -7.945 9.260 6.018 358 HD3 ARG 43 1HD ARG 43 -9.050 9.535 7.366 359 HE ARG 43 HE ARG 43 -6.288 8.517 7.564 360 HH11 ARG 43 1HH1 ARG 43 -9.132 9.945 9.044 361 HH12 ARG 43 2HH1 ARG 43 -8.358 10.209 10.572 362 HH21 ARG 43 1HH2 ARG 43 -5.271 8.872 9.554 363 HH22 ARG 43 2HH2 ARG 43 -6.142 9.599 10.867 364 H GLN 44 H GLN 44 -10.111 4.667 3.424 365 HA GLN 44 HA GLN 44 -12.689 5.298 2.190 366 HB2 GLN 44 2HB GLN 44 -10.869 6.821 1.272 367 HB3 GLN 44 1HB GLN 44 -10.099 5.382 0.628 368 HG2 GLN 44 2HG GLN 44 -11.992 4.944 -0.785 369 HG3 GLN 44 1HG GLN 44 -12.892 6.271 -0.049 370 HE21 GLN 44 1HE2 GLN 44 -10.348 5.405 -2.258 371 HE22 GLN 44 2HE2 GLN 44 -10.167 6.974 -2.969 372 H LYS 45 H LYS 45 -13.287 3.683 0.544 373 HA LYS 45 HA LYS 45 -12.796 1.084 1.477 374 HB2 LYS 45 2HB LYS 45 -13.918 1.948 -1.192 375 HB3 LYS 45 1HB LYS 45 -14.042 0.332 -0.507 376 HG2 LYS 45 2HG LYS 45 -15.280 1.314 1.410 377 HG3 LYS 45 1HG LYS 45 -15.272 2.858 0.555 378 HD2 LYS 45 2HD LYS 45 -16.477 1.827 -1.310 379 HD3 LYS 45 1HD LYS 45 -16.477 0.285 -0.448 380 HE2 LYS 45 2HE LYS 45 -17.871 2.837 0.325 381 HE3 LYS 45 1HE LYS 45 -18.603 1.286 -0.084 382 HZ1 LYS 45 3HZ LYS 45 -18.686 1.396 2.232 383 HZ2 LYS 45 1HZ LYS 45 -17.110 2.019 2.362 384 HZ3 LYS 45 2HZ LYS 45 -17.351 0.397 1.921 385 H TYR 46 H TYR 46 -11.618 2.717 -1.459 386 HA TYR 46 HA TYR 46 -9.341 0.925 -1.553 387 HB2 TYR 46 2HB TYR 46 -11.430 1.015 -3.739 388 HB3 TYR 46 1HB TYR 46 -9.795 0.420 -4.005 389 HD1 TYR 46 2HD TYR 46 -9.011 -1.517 -2.462 390 HD2 TYR 46 1HD TYR 46 -13.094 -0.448 -3.019 391 HE1 TYR 46 2HE TYR 46 -9.697 -3.745 -1.683 392 HE2 TYR 46 1HE TYR 46 -13.790 -2.676 -2.238 393 HH TYR 46 HH TYR 46 -11.623 -4.857 -0.736 394 H LEU 47 H LEU 47 -7.950 1.540 -3.530 395 HA LEU 47 HA LEU 47 -7.539 4.380 -3.442 396 HB2 LEU 47 2HB LEU 47 -6.149 2.180 -4.967 397 HB3 LEU 47 1HB LEU 47 -5.678 3.865 -5.059 398 HG LEU 47 HG LEU 47 -5.664 2.219 -2.531 399 HD11 LEU 47 1HD1 LEU 47 -3.233 2.251 -2.759 400 HD12 LEU 47 2HD1 LEU 47 -3.385 3.072 -4.312 401 HD13 LEU 47 3HD1 LEU 47 -3.991 1.427 -4.121 402 HD21 LEU 47 3HD2 LEU 47 -4.359 4.114 -1.643 403 HD22 LEU 47 1HD2 LEU 47 -6.001 4.572 -2.091 404 HD23 LEU 47 2HD2 LEU 47 -4.652 4.991 -3.146 405 H SER 48 H SER 48 -8.040 5.868 -4.948 406 HA SER 48 HA SER 48 -9.729 5.101 -7.150 407 HB2 SER 48 2HB SER 48 -8.712 7.866 -6.443 408 HB3 SER 48 1HB SER 48 -10.129 7.460 -7.414 409 HG SER 48 HG SER 48 -11.130 6.666 -5.572 410 H LEU 49 H LEU 49 -9.229 6.404 -9.246 411 HA LEU 49 HA LEU 49 -6.886 5.291 -10.355 412 HB2 LEU 49 2HB LEU 49 -9.091 5.966 -11.516 413 HB3 LEU 49 1HB LEU 49 -8.441 7.590 -11.544 414 HG LEU 49 HG LEU 49 -8.190 6.295 -13.682 415 HD11 LEU 49 1HD1 LEU 49 -5.888 6.992 -14.107 416 HD12 LEU 49 2HD1 LEU 49 -5.641 7.225 -12.376 417 HD13 LEU 49 3HD1 LEU 49 -6.796 8.233 -13.246 418 HD21 LEU 49 3HD2 LEU 49 -6.197 4.721 -12.060 419 HD22 LEU 49 1HD2 LEU 49 -6.407 4.627 -13.809 420 HD23 LEU 49 2HD2 LEU 49 -7.708 4.113 -12.737 421 H GLN 50 H GLN 50 -7.778 8.504 -9.274 422 HA GLN 50 HA GLN 50 -5.332 9.757 -9.959 423 HB2 GLN 50 2HB GLN 50 -7.558 10.515 -8.069 424 HB3 GLN 50 1HB GLN 50 -6.206 11.553 -8.445 425 HG2 GLN 50 2HG GLN 50 -8.011 12.287 -9.765 426 HG3 GLN 50 1HG GLN 50 -6.911 11.444 -10.851 427 HE21 GLN 50 1HE2 GLN 50 -8.588 11.112 -12.331 428 HE22 GLN 50 2HE2 GLN 50 -9.829 9.938 -12.059 429 H GLN 51 H GLN 51 -6.554 8.112 -7.113 430 HA GLN 51 HA GLN 51 -4.537 9.136 -5.384 431 HB2 GLN 51 2HB GLN 51 -6.547 6.920 -5.024 432 HB3 GLN 51 1HB GLN 51 -5.455 7.469 -3.765 433 HG2 GLN 51 2HG GLN 51 -6.431 9.756 -4.029 434 HG3 GLN 51 1HG GLN 51 -7.629 9.048 -5.110 435 HE21 GLN 51 1HE2 GLN 51 -9.338 9.582 -3.784 436 HE22 GLN 51 2HE2 GLN 51 -9.641 8.790 -2.278 437 H MET 52 H MET 52 -4.868 6.209 -7.331 438 HA MET 52 HA MET 52 -2.708 4.836 -6.081 439 HB2 MET 52 2HB MET 52 -2.715 3.354 -8.026 440 HB3 MET 52 1HB MET 52 -4.336 3.601 -7.398 441 HG2 MET 52 2HG MET 52 -4.775 5.205 -9.199 442 HG3 MET 52 1HG MET 52 -3.155 4.919 -9.833 443 HE1 MET 52 3HE MET 52 -6.667 3.331 -9.094 444 HE2 MET 52 1HE MET 52 -5.579 2.223 -8.259 445 HE3 MET 52 2HE MET 52 -6.453 1.685 -9.694 446 H GLN 53 H GLN 53 -2.881 7.029 -8.878 447 HA GLN 53 HA GLN 53 -0.073 6.810 -9.401 448 HB2 GLN 53 2HB GLN 53 -0.392 8.748 -10.897 449 HB3 GLN 53 1HB GLN 53 -1.532 7.451 -11.216 450 HG2 GLN 53 2HG GLN 53 -3.291 8.665 -10.100 451 HG3 GLN 53 1HG GLN 53 -2.155 9.923 -9.617 452 HE21 GLN 53 1HE2 GLN 53 -0.739 9.862 -12.143 453 HE22 GLN 53 2HE2 GLN 53 -1.762 10.655 -13.291 454 H GLU 54 H GLU 54 -2.109 8.949 -7.492 455 HA GLU 54 HA GLU 54 -0.146 10.851 -6.818 456 HB2 GLU 54 2HB GLU 54 -2.485 11.310 -6.414 457 HB3 GLU 54 1HB GLU 54 -2.612 9.935 -5.325 458 HG2 GLU 54 2HG GLU 54 -1.394 11.003 -3.646 459 HG3 GLU 54 1HG GLU 54 -0.754 12.214 -4.759 460 H LEU 55 H LEU 55 -1.231 7.909 -5.123 461 HA LEU 55 HA LEU 55 0.558 8.029 -2.989 462 HB2 LEU 55 2HB LEU 55 -1.359 6.218 -4.001 463 HB3 LEU 55 1HB LEU 55 0.123 5.311 -3.781 464 HG LEU 55 HG LEU 55 -1.271 5.136 -1.806 465 HD11 LEU 55 1HD1 LEU 55 1.137 6.885 -1.328 466 HD12 LEU 55 2HD1 LEU 55 1.135 5.127 -1.475 467 HD13 LEU 55 3HD1 LEU 55 0.322 5.899 -0.115 468 HD21 LEU 55 3HD2 LEU 55 -1.820 7.093 -0.455 469 HD22 LEU 55 1HD2 LEU 55 -2.520 7.214 -2.071 470 HD23 LEU 55 2HD2 LEU 55 -1.076 8.142 -1.664 471 H SER 56 H SER 56 0.872 6.594 -6.176 472 HA SER 56 HA SER 56 3.365 5.439 -6.003 473 HB2 SER 56 2HB SER 56 1.928 5.240 -7.967 474 HB3 SER 56 1HB SER 56 2.140 6.952 -8.322 475 HG SER 56 HG SER 56 4.555 6.073 -8.215 476 H ASN 57 H ASN 57 2.587 8.842 -6.663 477 HA ASN 57 HA ASN 57 5.279 9.666 -7.061 478 HB2 ASN 57 2HB ASN 57 3.108 10.897 -7.711 479 HB3 ASN 57 1HB ASN 57 3.067 11.449 -6.043 480 HD21 ASN 57 1HD2 ASN 57 6.085 11.602 -6.008 481 HD22 ASN 57 2HD2 ASN 57 6.439 13.063 -6.870 482 H ILE 58 H ILE 58 3.202 9.381 -4.239 483 HA ILE 58 HA ILE 58 4.754 10.956 -2.481 484 HB ILE 58 HB ILE 58 2.918 8.668 -1.740 485 HG12 ILE 58 2HG1 ILE 58 2.314 11.595 -2.200 486 HG13 ILE 58 1HG1 ILE 58 1.752 10.248 -3.178 487 HG21 ILE 58 1HG2 ILE 58 4.339 9.416 0.095 488 HG22 ILE 58 2HG2 ILE 58 2.664 9.889 0.377 489 HG23 ILE 58 3HG2 ILE 58 3.833 11.086 -0.176 490 HD11 ILE 58 3HD1 ILE 58 0.004 11.082 -1.713 491 HD12 ILE 58 1HD1 ILE 58 1.013 10.757 -0.306 492 HD13 ILE 58 2HD1 ILE 58 0.438 9.422 -1.306 493 H LEU 59 H LEU 59 4.727 7.498 -3.235 494 HA LEU 59 HA LEU 59 6.748 7.039 -1.195 495 HB2 LEU 59 2HB LEU 59 5.473 5.004 -3.010 496 HB3 LEU 59 1HB LEU 59 6.355 4.699 -1.528 497 HG LEU 59 HG LEU 59 3.647 6.006 -1.764 498 HD11 LEU 59 1HD1 LEU 59 2.858 4.036 -0.581 499 HD12 LEU 59 2HD1 LEU 59 4.494 3.379 -0.555 500 HD13 LEU 59 3HD1 LEU 59 3.649 3.582 -2.090 501 HD21 LEU 59 3HD2 LEU 59 4.943 7.030 0.037 502 HD22 LEU 59 1HD2 LEU 59 5.277 5.433 0.707 503 HD23 LEU 59 2HD2 LEU 59 3.625 6.045 0.673 504 H ASN 60 H ASN 60 6.846 8.110 -4.218 505 HA ASN 60 HA ASN 60 8.287 8.120 -5.963 506 HB2 ASN 60 2HB ASN 60 9.887 8.667 -4.101 507 HB3 ASN 60 1HB ASN 60 10.312 6.960 -4.033 508 HD21 ASN 60 1HD2 ASN 60 12.455 7.369 -4.587 509 HD22 ASN 60 2HD2 ASN 60 12.931 7.844 -6.183 510 H LEU 61 H LEU 61 6.593 5.943 -5.748 511 HA LEU 61 HA LEU 61 8.210 3.713 -6.785 512 HB2 LEU 61 2HB LEU 61 5.391 3.737 -5.695 513 HB3 LEU 61 1HB LEU 61 6.182 2.330 -6.378 514 HG LEU 61 HG LEU 61 7.030 3.789 -3.869 515 HD11 LEU 61 1HD1 LEU 61 5.791 1.065 -4.235 516 HD12 LEU 61 2HD1 LEU 61 4.963 2.494 -3.618 517 HD13 LEU 61 3HD1 LEU 61 6.298 1.787 -2.707 518 HD21 LEU 61 3HD2 LEU 61 8.962 2.894 -5.018 519 HD22 LEU 61 1HD2 LEU 61 8.161 1.335 -5.209 520 HD23 LEU 61 2HD2 LEU 61 8.603 1.907 -3.601 521 H SER 62 H SER 62 6.542 2.378 -8.313 522 HA SER 62 HA SER 62 6.013 4.271 -10.470 523 HB2 SER 62 2HB SER 62 7.525 2.495 -11.060 524 HB3 SER 62 1HB SER 62 6.404 1.279 -10.453 525 HG SER 62 HG SER 62 6.570 2.204 -12.892 526 H TYR 63 H TYR 63 4.074 4.456 -11.443 527 HA TYR 63 HA TYR 63 1.701 4.003 -10.111 528 HB2 TYR 63 2HB TYR 63 1.769 5.614 -11.878 529 HB3 TYR 63 1HB TYR 63 2.284 4.407 -13.050 530 HD1 TYR 63 2HD TYR 63 -0.572 5.654 -11.084 531 HD2 TYR 63 1HD TYR 63 0.696 3.004 -14.158 532 HE1 TYR 63 2HE TYR 63 -2.915 5.277 -11.721 533 HE2 TYR 63 1HE TYR 63 -1.643 2.625 -14.804 534 HH TYR 63 HH TYR 63 -4.172 4.557 -13.780 535 H LYS 64 H LYS 64 3.402 1.972 -12.417 536 HA LYS 64 HA LYS 64 1.312 0.097 -12.797 537 HB2 LYS 64 2HB LYS 64 4.299 -0.079 -13.208 538 HB3 LYS 64 1HB LYS 64 3.170 -1.336 -13.681 539 HG2 LYS 64 2HG LYS 64 2.078 0.157 -15.224 540 HG3 LYS 64 1HG LYS 64 3.100 1.493 -14.692 541 HD2 LYS 64 2HD LYS 64 5.070 0.352 -15.543 542 HD3 LYS 64 1HD LYS 64 4.085 -1.037 -16.011 543 HE2 LYS 64 2HE LYS 64 2.857 0.344 -17.592 544 HE3 LYS 64 1HE LYS 64 3.773 1.765 -17.090 545 HZ1 LYS 64 3HZ LYS 64 4.579 0.742 -19.167 546 HZ2 LYS 64 1HZ LYS 64 4.987 -0.659 -18.303 547 HZ3 LYS 64 2HZ LYS 64 5.764 0.813 -17.957 548 H GLN 65 H GLN 65 4.018 0.368 -10.582 549 HA GLN 65 HA GLN 65 3.692 -2.189 -9.392 550 HB2 GLN 65 2HB GLN 65 4.986 0.311 -8.289 551 HB3 GLN 65 1HB GLN 65 5.135 -1.297 -7.595 552 HG2 GLN 65 2HG GLN 65 5.982 -0.658 -10.403 553 HG3 GLN 65 1HG GLN 65 7.055 -0.476 -9.020 554 HE21 GLN 65 1HE2 GLN 65 4.702 -3.070 -9.216 555 HE22 GLN 65 2HE2 GLN 65 5.850 -4.346 -9.439 556 H VAL 66 H VAL 66 2.521 1.068 -8.583 557 HA VAL 66 HA VAL 66 1.243 0.251 -6.160 558 HB VAL 66 HB VAL 66 0.681 2.702 -7.857 559 HG11 VAL 66 1HG1 VAL 66 -0.305 3.625 -5.817 560 HG12 VAL 66 2HG1 VAL 66 -0.041 2.086 -4.995 561 HG13 VAL 66 3HG1 VAL 66 -1.164 2.179 -6.350 562 HG21 VAL 66 3HG2 VAL 66 2.995 2.616 -7.114 563 HG22 VAL 66 1HG2 VAL 66 2.471 2.310 -5.459 564 HG23 VAL 66 2HG2 VAL 66 2.111 3.857 -6.224 565 H LYS 67 H LYS 67 0.192 0.606 -9.497 566 HA LYS 67 HA LYS 67 -2.553 0.143 -9.108 567 HB2 LYS 67 2HB LYS 67 -1.457 1.045 -11.187 568 HB3 LYS 67 1HB LYS 67 -0.927 -0.590 -11.544 569 HG2 LYS 67 2HG LYS 67 -3.368 -1.248 -11.488 570 HG3 LYS 67 1HG LYS 67 -3.727 0.481 -11.486 571 HD2 LYS 67 2HD LYS 67 -2.323 0.676 -13.554 572 HD3 LYS 67 1HD LYS 67 -2.236 -1.085 -13.588 573 HE2 LYS 67 2HE LYS 67 -3.986 -0.537 -15.046 574 HE3 LYS 67 1HE LYS 67 -4.777 -1.051 -13.556 575 HZ1 LYS 67 3HZ LYS 67 -4.976 1.328 -12.957 576 HZ2 LYS 67 1HZ LYS 67 -5.833 0.921 -14.363 577 HZ3 LYS 67 2HZ LYS 67 -4.354 1.741 -14.477 578 H THR 68 H THR 68 0.076 -2.062 -9.967 579 HA THR 68 HA THR 68 -1.523 -4.371 -10.216 580 HB THR 68 HB THR 68 1.426 -4.224 -9.556 581 HG1 THR 68 1HG THR 68 1.164 -3.190 -11.481 582 HG21 THR 68 3HG2 THR 68 1.544 -6.459 -10.544 583 HG22 THR 68 1HG2 THR 68 -0.202 -6.443 -10.812 584 HG23 THR 68 2HG2 THR 68 0.440 -6.448 -9.170 585 H TRP 69 H TRP 69 0.453 -3.171 -7.500 586 HA TRP 69 HA TRP 69 -0.031 -5.293 -5.738 587 HB2 TRP 69 2HB TRP 69 1.693 -3.572 -5.350 588 HB3 TRP 69 1HB TRP 69 0.435 -2.372 -5.079 589 HD1 TRP 69 HD TRP 69 1.835 -5.593 -3.474 590 HE1 TRP 69 1HE TRP 69 1.362 -5.511 -0.942 591 HE3 TRP 69 3HE TRP 69 -0.939 -1.302 -3.327 592 HZ2 TRP 69 2HZ TRP 69 -0.018 -3.837 0.869 593 HZ3 TRP 69 3HZ TRP 69 -1.797 -0.530 -1.156 594 HH2 TRP 69 HH TRP 69 -1.345 -1.772 0.896 595 H PHE 70 H PHE 70 -1.724 -2.206 -6.146 596 HA PHE 70 HA PHE 70 -3.697 -2.542 -4.217 597 HB2 PHE 70 2HB PHE 70 -3.496 -0.399 -5.184 598 HB3 PHE 70 1HB PHE 70 -3.618 -1.034 -6.821 599 HD1 PHE 70 2HD PHE 70 -5.642 -0.865 -3.690 600 HD2 PHE 70 1HD PHE 70 -5.589 -0.747 -7.943 601 HE1 PHE 70 2HE PHE 70 -8.052 -0.394 -3.705 602 HE2 PHE 70 1HE PHE 70 -8.003 -0.276 -7.964 603 HZ PHE 70 HZ PHE 70 -9.238 -0.098 -5.842 604 H GLN 71 H GLN 71 -3.806 -3.412 -7.676 605 HA GLN 71 HA GLN 71 -6.458 -4.359 -7.643 606 HB2 GLN 71 2HB GLN 71 -5.166 -3.732 -9.688 607 HB3 GLN 71 1HB GLN 71 -4.232 -5.210 -9.505 608 HG2 GLN 71 2HG GLN 71 -5.989 -5.439 -11.175 609 HG3 GLN 71 1HG GLN 71 -6.227 -6.546 -9.822 610 HE21 GLN 71 1HE2 GLN 71 -7.928 -6.188 -8.392 611 HE22 GLN 71 2HE2 GLN 71 -9.246 -5.141 -8.786 612 H ASN 72 H ASN 72 -3.399 -5.948 -7.024 613 HA ASN 72 HA ASN 72 -4.366 -8.611 -7.004 614 HB2 ASN 72 2HB ASN 72 -1.995 -8.193 -7.289 615 HB3 ASN 72 1HB ASN 72 -1.909 -7.374 -5.734 616 HD21 ASN 72 1HD2 ASN 72 -1.850 -8.585 -3.848 617 HD22 ASN 72 2HD2 ASN 72 -1.587 -10.293 -3.856 618 H GLN 73 H GLN 73 -3.601 -6.317 -4.384 619 HA GLN 73 HA GLN 73 -4.518 -7.949 -2.275 620 HB2 GLN 73 2HB GLN 73 -4.383 -4.932 -2.459 621 HB3 GLN 73 1HB GLN 73 -4.625 -5.839 -0.974 622 HG2 GLN 73 2HG GLN 73 -2.191 -5.948 -2.741 623 HG3 GLN 73 1HG GLN 73 -2.323 -5.108 -1.198 624 HE21 GLN 73 1HE2 GLN 73 -2.358 -6.295 0.705 625 HE22 GLN 73 2HE2 GLN 73 -1.881 -7.953 0.768 626 H ARG 74 H ARG 74 -6.113 -5.632 -4.368 627 HA ARG 74 HA ARG 74 -8.606 -5.531 -3.078 628 HB2 ARG 74 2HB ARG 74 -7.733 -4.018 -4.909 629 HB3 ARG 74 1HB ARG 74 -8.087 -5.302 -6.050 630 HG2 ARG 74 2HG ARG 74 -10.249 -4.230 -4.287 631 HG3 ARG 74 1HG ARG 74 -9.753 -3.350 -5.732 632 HD2 ARG 74 2HD ARG 74 -10.091 -5.586 -6.957 633 HD3 ARG 74 1HD ARG 74 -10.984 -6.075 -5.515 634 HE ARG 74 HE ARG 74 -12.014 -3.615 -6.271 635 HH11 ARG 74 1HH1 ARG 74 -11.782 -6.836 -7.647 636 HH12 ARG 74 2HH1 ARG 74 -13.182 -6.640 -8.662 637 HH21 ARG 74 1HH2 ARG 74 -13.854 -3.369 -7.591 638 HH22 ARG 74 2HH2 ARG 74 -14.363 -4.680 -8.610 639 H MET 75 H MET 75 -7.279 -7.758 -5.503 640 HA MET 75 HA MET 75 -9.784 -9.170 -5.739 641 HB2 MET 75 2HB MET 75 -7.033 -9.674 -6.830 642 HB3 MET 75 1HB MET 75 -8.330 -10.849 -7.019 643 HG2 MET 75 2HG MET 75 -9.696 -9.132 -8.133 644 HG3 MET 75 1HG MET 75 -8.357 -7.998 -7.984 645 HE1 MET 75 3HE MET 75 -6.214 -8.016 -9.479 646 HE2 MET 75 1HE MET 75 -5.698 -9.421 -10.413 647 HE3 MET 75 2HE MET 75 -5.791 -9.515 -8.653 648 H LYS 76 H LYS 76 -6.742 -9.739 -4.001 649 HA LYS 76 HA LYS 76 -7.472 -12.392 -3.228 650 HB2 LYS 76 2HB LYS 76 -5.278 -10.550 -2.305 651 HB3 LYS 76 1HB LYS 76 -5.520 -12.148 -1.610 652 HG2 LYS 76 2HG LYS 76 -5.322 -13.059 -3.954 653 HG3 LYS 76 1HG LYS 76 -4.791 -11.447 -4.440 654 HD2 LYS 76 2HD LYS 76 -2.911 -11.571 -2.909 655 HD3 LYS 76 1HD LYS 76 -3.467 -13.139 -2.314 656 HE2 LYS 76 2HE LYS 76 -3.190 -14.057 -4.590 657 HE3 LYS 76 1HE LYS 76 -2.555 -12.502 -5.121 658 HZ1 LYS 76 3HZ LYS 76 -0.773 -12.785 -3.427 659 HZ2 LYS 76 1HZ LYS 76 -0.733 -13.933 -4.675 660 HZ3 LYS 76 2HZ LYS 76 -1.338 -14.363 -3.151 661 H SER 77 H SER 77 -8.151 -9.278 -1.890 662 HA SER 77 HA SER 77 -8.607 -10.209 0.776 663 HB2 SER 77 2HB SER 77 -9.775 -7.966 1.027 664 HB3 SER 77 1HB SER 77 -8.081 -7.901 0.542 665 HG SER 77 HG SER 77 -8.629 -7.215 -1.400 666 H LYS 78 H LYS 78 -10.490 -10.042 -2.127 667 HA LYS 78 HA LYS 78 -12.957 -10.561 -0.659 668 HB2 LYS 78 2HB LYS 78 -12.496 -10.152 -3.616 669 HB3 LYS 78 1HB LYS 78 -14.068 -10.336 -2.846 670 HG2 LYS 78 2HG LYS 78 -13.583 -8.293 -1.513 671 HG3 LYS 78 1HG LYS 78 -12.102 -8.090 -2.450 672 HD2 LYS 78 2HD LYS 78 -13.781 -6.684 -3.407 673 HD3 LYS 78 1HD LYS 78 -13.504 -8.030 -4.512 674 HE2 LYS 78 2HE LYS 78 -15.889 -7.551 -4.289 675 HE3 LYS 78 1HE LYS 78 -15.501 -9.152 -3.663 676 HZ1 LYS 78 3HZ LYS 78 -17.044 -7.768 -2.273 677 HZ2 LYS 78 1HZ LYS 78 -15.724 -6.761 -1.921 678 HZ3 LYS 78 2HZ LYS 78 -15.698 -8.391 -1.453 679 H ARG 79 H ARG 79 -10.882 -12.095 -3.104 680 HA ARG 79 HA ARG 79 -11.941 -14.677 -2.207 681 HB2 ARG 79 2HB ARG 79 -11.873 -13.659 -5.021 682 HB3 ARG 79 1HB ARG 79 -11.658 -15.377 -4.719 683 HG2 ARG 79 2HG ARG 79 -13.820 -15.462 -3.599 684 HG3 ARG 79 1HG ARG 79 -14.031 -13.729 -3.867 685 HD2 ARG 79 2HD ARG 79 -14.157 -14.011 -6.210 686 HD3 ARG 79 1HD ARG 79 -13.576 -15.671 -6.117 687 HE ARG 79 HE ARG 79 -15.839 -15.847 -4.720 688 HH11 ARG 79 1HH1 ARG 79 -15.189 -14.256 -7.785 689 HH12 ARG 79 2HH1 ARG 79 -16.772 -14.598 -8.431 690 HH21 ARG 79 1HH2 ARG 79 -17.911 -16.303 -5.593 691 HH22 ARG 79 2HH2 ARG 79 -18.300 -15.748 -7.195 692 H TRP 80 H TRP 80 -9.691 -13.722 -4.779 693 HA TRP 80 HA TRP 80 -7.301 -14.266 -3.457 694 HB2 TRP 80 2HB TRP 80 -6.714 -16.475 -4.139 695 HB3 TRP 80 1HB TRP 80 -8.312 -16.600 -3.418 696 HD1 TRP 80 HD TRP 80 -10.317 -16.224 -5.631 697 HE1 TRP 80 1HE TRP 80 -10.372 -17.680 -7.758 698 HE3 TRP 80 3HE TRP 80 -5.501 -17.961 -5.556 699 HZ2 TRP 80 2HZ TRP 80 -8.618 -19.346 -9.191 700 HZ3 TRP 80 3HZ TRP 80 -4.776 -19.487 -7.344 701 HH2 TRP 80 HH TRP 80 -6.301 -20.163 -9.121 702 H GLN 81 H GLN 81 -5.679 -15.186 -5.436 703 HA GLN 81 HA GLN 81 -6.389 -13.819 -7.911 704 HB2 GLN 81 2HB GLN 81 -4.937 -12.440 -6.064 705 HB3 GLN 81 1HB GLN 81 -3.652 -13.232 -6.961 706 HG2 GLN 81 2HG GLN 81 -5.784 -11.461 -8.133 707 HG3 GLN 81 1HG GLN 81 -4.114 -11.001 -7.813 708 HE21 GLN 81 1HE2 GLN 81 -2.485 -11.810 -9.112 709 HE22 GLN 81 2HE2 GLN 81 -2.806 -12.524 -10.652 710 H LYS 82 H LYS 82 -5.692 -14.945 -9.630 711 HA LYS 82 HA LYS 82 -4.228 -17.397 -9.103 712 HB2 LYS 82 2HB LYS 82 -6.307 -17.339 -10.508 713 HB3 LYS 82 1HB LYS 82 -5.412 -16.413 -11.704 714 HG2 LYS 82 2HG LYS 82 -3.824 -18.308 -11.904 715 HG3 LYS 82 1HG LYS 82 -4.854 -19.230 -10.808 716 HD2 LYS 82 2HD LYS 82 -5.461 -19.889 -13.003 717 HD3 LYS 82 1HD LYS 82 -6.745 -18.821 -12.433 718 HE2 LYS 82 2HE LYS 82 -6.227 -18.229 -14.696 719 HE3 LYS 82 1HE LYS 82 -5.632 -16.948 -13.643 720 HZ1 LYS 82 3HZ LYS 82 -3.954 -19.140 -14.732 721 HZ2 LYS 82 1HZ LYS 82 -3.415 -17.803 -13.844 722 HZ3 LYS 82 2HZ LYS 82 -4.049 -17.582 -15.400 723 H ASN 83 H ASN 83 -2.294 -17.970 -10.151 724 HA ASN 83 HA ASN 83 -0.413 -15.959 -10.668 725 HB2 ASN 83 2HB ASN 83 0.206 -18.276 -10.084 726 HB3 ASN 83 1HB ASN 83 -0.413 -18.829 -11.636 727 HD21 ASN 83 1HD2 ASN 83 0.758 -18.403 -13.508 728 HD22 ASN 83 2HD2 ASN 83 2.402 -17.873 -13.466 729 H ASN 84 H ASN 84 -0.032 -14.743 -12.405 730 HA ASN 84 HA ASN 84 -1.058 -15.603 -15.009 731 HB2 ASN 84 2HB ASN 84 -2.680 -13.997 -14.026 732 HB3 ASN 84 1HB ASN 84 -1.386 -12.811 -13.873 733 HD21 ASN 84 1HD2 ASN 84 -0.560 -11.842 -15.726 734 HD22 ASN 84 2HD2 ASN 84 -1.403 -11.881 -17.236 Start of MODEL 3 1 H1 SER 1 H1 SER 1 -4.559 15.300 -5.992 2 H2 SER 1 H2 SER 1 -4.680 13.656 -6.384 3 H3 SER 1 H3 SER 1 -4.141 14.119 -4.843 4 HA SER 1 HA SER 1 -6.853 14.511 -5.976 5 HB2 SER 1 2HB SER 1 -7.550 12.941 -4.227 6 HB3 SER 1 1HB SER 1 -6.317 12.197 -5.241 7 HG SER 1 HG SER 1 -4.776 12.625 -3.619 8 H LYS 2 H LYS 2 -7.526 14.261 -2.971 9 HA LYS 2 HA LYS 2 -7.567 17.056 -2.365 10 HB2 LYS 2 2HB LYS 2 -9.327 15.416 -1.669 11 HB3 LYS 2 1HB LYS 2 -8.168 14.697 -0.563 12 HG2 LYS 2 2HG LYS 2 -8.024 16.821 0.653 13 HG3 LYS 2 1HG LYS 2 -9.217 17.517 -0.446 14 HD2 LYS 2 2HD LYS 2 -10.817 15.749 0.259 15 HD3 LYS 2 1HD LYS 2 -9.627 15.205 1.446 16 HE2 LYS 2 2HE LYS 2 -11.317 16.667 2.453 17 HE3 LYS 2 1HE LYS 2 -9.704 17.371 2.542 18 HZ1 LYS 2 3HZ LYS 2 -11.482 18.950 1.870 19 HZ2 LYS 2 1HZ LYS 2 -11.681 18.062 0.439 20 HZ3 LYS 2 2HZ LYS 2 -10.205 18.839 0.759 21 H GLN 3 H GLN 3 -5.231 14.695 -2.157 22 HA GLN 3 HA GLN 3 -3.124 14.636 -1.329 23 HB2 GLN 3 2HB GLN 3 -3.801 17.389 -0.279 24 HB3 GLN 3 1HB GLN 3 -2.224 16.634 -0.095 25 HG2 GLN 3 2HG GLN 3 -1.941 16.564 -2.497 26 HG3 GLN 3 1HG GLN 3 -3.559 17.225 -2.729 27 HE21 GLN 3 1HE2 GLN 3 -2.758 18.983 -3.863 28 HE22 GLN 3 2HE2 GLN 3 -1.940 20.289 -3.078 29 HA PRO 4 HA PRO 4 -3.498 12.801 2.668 30 HB2 PRO 4 2HB PRO 4 -0.892 14.018 3.397 31 HB3 PRO 4 1HB PRO 4 -1.386 12.322 3.402 32 HG2 PRO 4 2HG PRO 4 0.249 13.272 1.518 33 HG3 PRO 4 1HG PRO 4 -0.987 12.060 1.134 34 HD2 PRO 4 2HD PRO 4 -0.980 14.999 0.595 35 HD3 PRO 4 1HD PRO 4 -1.596 13.668 -0.408 36 H THR 5 H THR 5 -5.080 13.854 3.771 37 HA THR 5 HA THR 5 -4.603 16.464 4.904 38 HB THR 5 HB THR 5 -6.963 15.977 5.894 39 HG1 THR 5 1HG THR 5 -8.079 14.342 4.921 40 HG21 THR 5 3HG2 THR 5 -6.568 16.248 2.912 41 HG22 THR 5 1HG2 THR 5 -6.485 17.567 4.078 42 HG23 THR 5 2HG2 THR 5 -8.008 16.717 3.817 43 H SER 6 H SER 6 -4.811 16.914 7.138 44 HA SER 6 HA SER 6 -3.107 15.418 8.718 45 HB2 SER 6 2HB SER 6 -5.240 17.337 9.678 46 HB3 SER 6 1HB SER 6 -3.771 16.881 10.541 47 HG SER 6 HG SER 6 -4.056 18.458 8.215 48 H ALA 7 H ALA 7 -3.370 14.062 10.474 49 HA ALA 7 HA ALA 7 -6.027 12.828 10.794 50 HB1 ALA 7 1HB ALA 7 -3.337 11.454 10.893 51 HB2 ALA 7 2HB ALA 7 -4.529 11.309 9.604 52 HB3 ALA 7 3HB ALA 7 -4.893 10.689 11.214 53 H GLU 8 H GLU 8 -5.726 11.332 12.972 54 HA GLU 8 HA GLU 8 -5.161 13.334 15.017 55 HB2 GLU 8 2HB GLU 8 -6.396 11.775 16.532 56 HB3 GLU 8 1HB GLU 8 -7.345 12.384 15.186 57 HG2 GLU 8 2HG GLU 8 -6.893 10.249 13.990 58 HG3 GLU 8 1HG GLU 8 -6.119 9.654 15.459 59 H ASN 9 H ASN 9 -4.707 11.735 17.211 60 HA ASN 9 HA ASN 9 -1.883 11.282 16.800 61 HB2 ASN 9 2HB ASN 9 -1.784 11.136 19.255 62 HB3 ASN 9 1HB ASN 9 -2.631 12.587 18.726 63 HD21 ASN 9 1HD2 ASN 9 -2.879 9.594 20.407 64 HD22 ASN 9 2HD2 ASN 9 -4.509 9.785 20.960 65 H SER 10 H SER 10 -0.859 9.452 18.068 66 HA SER 10 HA SER 10 -0.459 7.256 18.404 67 HB2 SER 10 2HB SER 10 -2.493 7.259 19.790 68 HB3 SER 10 1HB SER 10 -3.469 6.932 18.358 69 HG SER 10 HG SER 10 -2.721 4.913 18.275 70 H VAL 11 H VAL 11 0.488 7.399 16.280 71 HA VAL 11 HA VAL 11 -0.983 6.279 14.050 72 HB VAL 11 HB VAL 11 1.974 6.887 14.267 73 HG11 VAL 11 1HG1 VAL 11 1.922 6.922 11.821 74 HG12 VAL 11 2HG1 VAL 11 0.221 6.456 11.857 75 HG13 VAL 11 3HG1 VAL 11 1.452 5.348 12.460 76 HG21 VAL 11 3HG2 VAL 11 0.647 8.904 14.652 77 HG22 VAL 11 1HG2 VAL 11 -0.240 8.607 13.157 78 HG23 VAL 11 2HG2 VAL 11 1.482 8.977 13.098 79 H ALA 12 H ALA 12 -0.994 4.198 13.449 80 HA ALA 12 HA ALA 12 0.327 2.259 15.147 81 HB1 ALA 12 1HB ALA 12 -1.545 1.863 12.812 82 HB2 ALA 12 2HB ALA 12 -2.007 1.906 14.513 83 HB3 ALA 12 3HB ALA 12 -0.983 0.601 13.908 84 H LYS 13 H LYS 13 2.283 1.495 14.723 85 HA LYS 13 HA LYS 13 3.579 1.984 12.209 86 HB2 LYS 13 2HB LYS 13 4.471 0.387 14.613 87 HB3 LYS 13 1HB LYS 13 5.484 0.759 13.228 88 HG2 LYS 13 2HG LYS 13 5.185 3.171 13.725 89 HG3 LYS 13 1HG LYS 13 4.310 2.714 15.187 90 HD2 LYS 13 2HD LYS 13 6.297 1.474 15.954 91 HD3 LYS 13 1HD LYS 13 7.169 2.022 14.519 92 HE2 LYS 13 2HE LYS 13 7.777 3.461 16.323 93 HE3 LYS 13 1HE LYS 13 6.717 4.368 15.247 94 HZ1 LYS 13 3HZ LYS 13 5.997 3.141 17.854 95 HZ2 LYS 13 1HZ LYS 13 4.862 3.801 16.781 96 HZ3 LYS 13 2HZ LYS 13 6.049 4.793 17.470 97 H LYS 14 H LYS 14 1.862 -0.655 13.644 98 HA LYS 14 HA LYS 14 2.089 -2.136 11.174 99 HB2 LYS 14 2HB LYS 14 3.362 -3.020 13.688 100 HB3 LYS 14 1HB LYS 14 2.429 -4.242 12.836 101 HG2 LYS 14 2HG LYS 14 4.563 -2.599 11.495 102 HG3 LYS 14 1HG LYS 14 4.897 -4.130 12.304 103 HD2 LYS 14 2HD LYS 14 4.622 -4.597 9.979 104 HD3 LYS 14 1HD LYS 14 3.181 -5.189 10.804 105 HE2 LYS 14 2HE LYS 14 2.141 -2.926 10.199 106 HE3 LYS 14 1HE LYS 14 3.495 -2.747 9.085 107 HZ1 LYS 14 3HZ LYS 14 2.795 -4.616 7.866 108 HZ2 LYS 14 1HZ LYS 14 1.386 -3.710 8.137 109 HZ3 LYS 14 2HZ LYS 14 1.700 -5.107 9.059 110 H GLU 15 H GLU 15 0.152 -2.595 10.594 111 HA GLU 15 HA GLU 15 -2.158 -2.578 12.158 112 HB2 GLU 15 2HB GLU 15 -1.927 -4.356 9.744 113 HB3 GLU 15 1HB GLU 15 -3.309 -3.432 10.296 114 HG2 GLU 15 2HG GLU 15 -2.578 -2.353 8.360 115 HG3 GLU 15 1HG GLU 15 -1.979 -1.357 9.689 116 H ASP 16 H ASP 16 -0.096 -5.254 11.140 117 HA ASP 16 HA ASP 16 -1.762 -7.212 12.469 118 HB2 ASP 16 2HB ASP 16 -0.048 -8.820 11.546 119 HB3 ASP 16 1HB ASP 16 -0.909 -7.863 10.347 120 H LYS 17 H LYS 17 -0.153 -5.146 13.962 121 HA LYS 17 HA LYS 17 0.665 -5.033 16.071 122 HB2 LYS 17 2HB LYS 17 -0.161 -7.866 15.931 123 HB3 LYS 17 1HB LYS 17 1.026 -7.479 17.164 124 HG2 LYS 17 2HG LYS 17 -1.152 -7.393 18.134 125 HG3 LYS 17 1HG LYS 17 -0.513 -5.756 18.045 126 HD2 LYS 17 2HD LYS 17 -2.211 -6.729 15.803 127 HD3 LYS 17 1HD LYS 17 -2.995 -6.323 17.331 128 HE2 LYS 17 2HE LYS 17 -1.903 -4.098 17.237 129 HE3 LYS 17 1HE LYS 17 -1.261 -4.517 15.649 130 HZ1 LYS 17 3HZ LYS 17 -3.263 -3.205 15.452 131 HZ2 LYS 17 1HZ LYS 17 -4.136 -4.330 16.376 132 HZ3 LYS 17 2HZ LYS 17 -3.536 -4.768 14.849 133 H VAL 18 H VAL 18 2.486 -5.867 17.492 134 HA VAL 18 HA VAL 18 4.716 -5.829 17.787 135 HB VAL 18 HB VAL 18 4.172 -8.186 17.928 136 HG11 VAL 18 1HG1 VAL 18 4.623 -9.751 16.119 137 HG12 VAL 18 2HG1 VAL 18 4.972 -8.405 15.033 138 HG13 VAL 18 3HG1 VAL 18 3.346 -8.614 15.684 139 HG21 VAL 18 3HG2 VAL 18 6.420 -9.084 17.637 140 HG22 VAL 18 1HG2 VAL 18 6.437 -7.478 18.365 141 HG23 VAL 18 2HG2 VAL 18 6.852 -7.677 16.662 142 HA PRO 19 HA PRO 19 5.585 -3.438 14.035 143 HB2 PRO 19 2HB PRO 19 7.491 -2.196 15.945 144 HB3 PRO 19 1HB PRO 19 6.317 -1.438 14.864 145 HG2 PRO 19 2HG PRO 19 5.842 -1.579 17.470 146 HG3 PRO 19 1HG PRO 19 4.536 -1.849 16.300 147 HD2 PRO 19 2HD PRO 19 6.098 -3.847 17.892 148 HD3 PRO 19 1HD PRO 19 4.363 -3.815 17.517 149 H VAL 20 H VAL 20 6.610 -5.011 12.843 150 HA VAL 20 HA VAL 20 8.287 -5.821 11.589 151 HB VAL 20 HB VAL 20 9.910 -3.567 12.736 152 HG11 VAL 20 1HG1 VAL 20 11.069 -3.595 10.579 153 HG12 VAL 20 2HG1 VAL 20 10.058 -4.937 10.045 154 HG13 VAL 20 3HG1 VAL 20 11.193 -5.165 11.375 155 HG21 VAL 20 3HG2 VAL 20 9.057 -2.210 10.867 156 HG22 VAL 20 1HG2 VAL 20 7.786 -2.692 11.992 157 HG23 VAL 20 2HG2 VAL 20 7.956 -3.521 10.445 158 H LYS 21 H LYS 21 7.988 -6.987 14.199 159 HA LYS 21 HA LYS 21 10.744 -7.878 14.691 160 HB2 LYS 21 2HB LYS 21 8.163 -8.267 16.171 161 HB3 LYS 21 1HB LYS 21 9.477 -9.409 16.407 162 HG2 LYS 21 2HG LYS 21 9.626 -7.820 18.144 163 HG3 LYS 21 1HG LYS 21 10.932 -7.456 17.018 164 HD2 LYS 21 2HD LYS 21 9.534 -5.688 16.019 165 HD3 LYS 21 1HD LYS 21 8.288 -6.023 17.223 166 HE2 LYS 21 2HE LYS 21 9.592 -4.125 17.935 167 HE3 LYS 21 1HE LYS 21 9.918 -5.490 19.004 168 HZ1 LYS 21 3HZ LYS 21 11.653 -4.387 16.864 169 HZ2 LYS 21 1HZ LYS 21 11.920 -5.919 17.545 170 HZ3 LYS 21 2HZ LYS 21 11.991 -4.537 18.519 171 H LYS 22 H LYS 22 8.030 -8.588 12.877 172 HA LYS 22 HA LYS 22 8.578 -11.425 12.584 173 HB2 LYS 22 2HB LYS 22 6.549 -9.632 11.219 174 HB3 LYS 22 1HB LYS 22 6.634 -11.382 11.055 175 HG2 LYS 22 2HG LYS 22 5.881 -11.754 13.203 176 HG3 LYS 22 1HG LYS 22 6.353 -10.147 13.755 177 HD2 LYS 22 2HD LYS 22 3.949 -10.277 13.592 178 HD3 LYS 22 1HD LYS 22 4.569 -9.175 12.364 179 HE2 LYS 22 2HE LYS 22 4.344 -10.910 10.672 180 HE3 LYS 22 1HE LYS 22 3.779 -12.049 11.897 181 HZ1 LYS 22 3HZ LYS 22 1.946 -11.065 10.640 182 HZ2 LYS 22 1HZ LYS 22 2.412 -9.514 11.146 183 HZ3 LYS 22 2HZ LYS 22 1.859 -10.652 12.277 184 H GLN 23 H GLN 23 10.666 -11.315 11.721 185 HA GLN 23 HA GLN 23 11.361 -9.621 9.557 186 HB2 GLN 23 2HB GLN 23 13.477 -10.869 9.511 187 HB3 GLN 23 1HB GLN 23 13.039 -10.384 11.141 188 HG2 GLN 23 2HG GLN 23 12.302 -12.615 11.656 189 HG3 GLN 23 1HG GLN 23 12.585 -13.127 9.992 190 HE21 GLN 23 1HE2 GLN 23 14.053 -12.284 13.026 191 HE22 GLN 23 2HE2 GLN 23 15.642 -12.862 12.649 192 H LYS 24 H LYS 24 12.020 -10.206 7.452 193 HA LYS 24 HA LYS 24 10.989 -12.733 6.392 194 HB2 LYS 24 2HB LYS 24 10.449 -9.986 5.241 195 HB3 LYS 24 1HB LYS 24 10.131 -11.491 4.390 196 HG2 LYS 24 2HG LYS 24 8.554 -12.129 6.178 197 HG3 LYS 24 1HG LYS 24 8.830 -10.561 6.942 198 HD2 LYS 24 2HD LYS 24 7.973 -9.427 4.969 199 HD3 LYS 24 1HD LYS 24 7.756 -10.977 4.152 200 HE2 LYS 24 2HE LYS 24 6.351 -10.100 6.677 201 HE3 LYS 24 1HE LYS 24 5.646 -10.114 5.061 202 HZ1 LYS 24 3HZ LYS 24 4.985 -12.063 6.315 203 HZ2 LYS 24 1HZ LYS 24 6.607 -12.501 6.556 204 HZ3 LYS 24 2HZ LYS 24 5.946 -12.520 4.995 205 H THR 25 H THR 25 11.694 -12.719 3.897 206 HA THR 25 HA THR 25 14.470 -11.753 3.755 207 HB THR 25 HB THR 25 14.422 -14.187 4.251 208 HG1 THR 25 1HG THR 25 16.213 -13.913 3.136 209 HG21 THR 25 3HG2 THR 25 12.307 -14.742 3.157 210 HG22 THR 25 1HG2 THR 25 13.622 -15.764 2.568 211 HG23 THR 25 2HG2 THR 25 13.038 -14.422 1.584 212 H ARG 26 H ARG 26 15.166 -12.260 1.262 213 HA ARG 26 HA ARG 26 14.984 -11.639 -0.912 214 HB2 ARG 26 2HB ARG 26 12.026 -11.799 -0.354 215 HB3 ARG 26 1HB ARG 26 12.669 -11.330 -1.919 216 HG2 ARG 26 2HG ARG 26 13.802 -13.495 -2.091 217 HG3 ARG 26 1HG ARG 26 13.119 -13.963 -0.531 218 HD2 ARG 26 2HD ARG 26 11.839 -14.854 -2.456 219 HD3 ARG 26 1HD ARG 26 10.877 -13.812 -1.410 220 HE ARG 26 HE ARG 26 11.780 -12.115 -3.322 221 HH11 ARG 26 1HH1 ARG 26 10.083 -15.179 -3.460 222 HH12 ARG 26 2HH1 ARG 26 9.293 -14.799 -4.963 223 HH21 ARG 26 1HH2 ARG 26 10.730 -11.626 -5.269 224 HH22 ARG 26 2HH2 ARG 26 9.653 -12.795 -5.980 225 H THR 27 H THR 27 12.275 -9.868 0.573 226 HA THR 27 HA THR 27 13.722 -7.357 0.156 227 HB THR 27 HB THR 27 11.463 -6.404 -0.684 228 HG1 THR 27 1HG THR 27 10.263 -8.337 -0.347 229 HG21 THR 27 3HG2 THR 27 13.114 -8.189 -2.476 230 HG22 THR 27 1HG2 THR 27 13.481 -6.513 -2.064 231 HG23 THR 27 2HG2 THR 27 12.044 -6.895 -3.014 232 H VAL 28 H VAL 28 13.116 -5.701 1.545 233 HA VAL 28 HA VAL 28 11.349 -6.545 3.745 234 HB VAL 28 HB VAL 28 12.562 -4.965 5.185 235 HG11 VAL 28 1HG1 VAL 28 13.294 -7.277 5.115 236 HG12 VAL 28 2HG1 VAL 28 14.677 -6.201 5.328 237 HG13 VAL 28 3HG1 VAL 28 14.354 -6.921 3.751 238 HG21 VAL 28 3HG2 VAL 28 14.345 -4.530 2.788 239 HG22 VAL 28 1HG2 VAL 28 14.639 -3.919 4.417 240 HG23 VAL 28 2HG2 VAL 28 13.250 -3.344 3.497 241 H PHE 29 H PHE 29 10.062 -4.899 4.783 242 HA PHE 29 HA PHE 29 9.279 -2.747 2.945 243 HB2 PHE 29 2HB PHE 29 7.674 -4.495 4.789 244 HB3 PHE 29 1HB PHE 29 7.079 -2.911 4.320 245 HD1 PHE 29 2HD PHE 29 7.907 -6.281 3.138 246 HD2 PHE 29 1HD PHE 29 6.306 -2.472 2.105 247 HE1 PHE 29 2HE PHE 29 6.990 -7.236 1.064 248 HE2 PHE 29 1HE PHE 29 5.386 -3.424 0.026 249 HZ PHE 29 HZ PHE 29 5.725 -5.806 -0.492 250 H SER 30 H SER 30 8.156 -0.909 4.168 251 HA SER 30 HA SER 30 9.480 -0.445 6.751 252 HB2 SER 30 2HB SER 30 10.540 0.916 4.974 253 HB3 SER 30 1HB SER 30 8.967 1.603 4.574 254 HG SER 30 HG SER 30 10.691 2.441 6.393 255 H SER 31 H SER 31 8.256 0.795 8.268 256 HA SER 31 HA SER 31 5.468 0.315 8.145 257 HB2 SER 31 2HB SER 31 7.104 2.015 10.040 258 HB3 SER 31 1HB SER 31 5.399 1.626 10.270 259 HG SER 31 HG SER 31 5.898 -0.379 10.781 260 H THR 32 H THR 32 7.507 3.081 7.488 261 HA THR 32 HA THR 32 5.659 5.133 7.527 262 HB THR 32 HB THR 32 7.923 4.902 5.537 263 HG1 THR 32 1HG THR 32 9.275 5.574 7.177 264 HG21 THR 32 3HG2 THR 32 6.702 7.292 6.926 265 HG22 THR 32 1HG2 THR 32 6.405 6.822 5.252 266 HG23 THR 32 2HG2 THR 32 8.018 7.330 5.751 267 H GLN 33 H GLN 33 6.459 2.895 4.884 268 HA GLN 33 HA GLN 33 4.708 4.141 3.002 269 HB2 GLN 33 2HB GLN 33 6.009 1.420 3.034 270 HB3 GLN 33 1HB GLN 33 5.044 2.022 1.695 271 HG2 GLN 33 2HG GLN 33 6.590 3.835 1.340 272 HG3 GLN 33 1HG GLN 33 7.529 3.349 2.746 273 HE21 GLN 33 1HE2 GLN 33 6.122 1.081 0.496 274 HE22 GLN 33 2HE2 GLN 33 7.612 0.533 -0.184 275 H LEU 34 H LEU 34 4.472 1.340 5.134 276 HA LEU 34 HA LEU 34 1.946 0.455 4.253 277 HB2 LEU 34 2HB LEU 34 3.277 0.094 6.938 278 HB3 LEU 34 1HB LEU 34 1.888 -0.814 6.367 279 HG LEU 34 HG LEU 34 4.634 -0.858 5.106 280 HD11 LEU 34 1HD1 LEU 34 3.215 -2.915 6.790 281 HD12 LEU 34 2HD1 LEU 34 4.622 -1.966 7.268 282 HD13 LEU 34 3HD1 LEU 34 4.756 -3.145 5.964 283 HD21 LEU 34 3HD2 LEU 34 2.845 -1.200 3.482 284 HD22 LEU 34 1HD2 LEU 34 2.160 -2.470 4.493 285 HD23 LEU 34 2HD2 LEU 34 3.749 -2.689 3.759 286 H CYS 35 H CYS 35 2.907 2.731 6.788 287 HA CYS 35 HA CYS 35 0.373 3.195 7.885 288 HB2 CYS 35 2HB CYS 35 2.751 5.044 7.615 289 HB3 CYS 35 1HB CYS 35 1.320 5.419 8.569 290 HG CYS 35 HG CYS 35 1.718 3.061 10.207 291 H VAL 36 H VAL 36 2.002 4.742 5.119 292 HA VAL 36 HA VAL 36 -0.024 6.625 4.578 293 HB VAL 36 HB VAL 36 1.907 5.351 2.625 294 HG11 VAL 36 1HG1 VAL 36 0.020 6.422 1.499 295 HG12 VAL 36 2HG1 VAL 36 1.518 7.314 1.237 296 HG13 VAL 36 3HG1 VAL 36 0.330 7.912 2.394 297 HG21 VAL 36 3HG2 VAL 36 3.069 6.441 4.450 298 HG22 VAL 36 1HG2 VAL 36 2.109 7.902 4.218 299 HG23 VAL 36 2HG2 VAL 36 3.245 7.384 2.972 300 H LEU 37 H LEU 37 0.453 3.295 3.522 301 HA LEU 37 HA LEU 37 -1.731 3.161 1.730 302 HB2 LEU 37 2HB LEU 37 -0.447 0.976 3.380 303 HB3 LEU 37 1HB LEU 37 -1.544 0.716 2.036 304 HG LEU 37 HG LEU 37 1.118 2.110 1.769 305 HD11 LEU 37 1HD1 LEU 37 1.944 0.030 0.803 306 HD12 LEU 37 2HD1 LEU 37 0.410 -0.760 1.172 307 HD13 LEU 37 3HD1 LEU 37 1.453 -0.199 2.480 308 HD21 LEU 37 3HD2 LEU 37 -0.474 2.695 0.041 309 HD22 LEU 37 1HD2 LEU 37 -0.804 0.988 -0.263 310 HD23 LEU 37 2HD2 LEU 37 0.789 1.657 -0.619 311 H ASN 38 H ASN 38 -1.393 2.502 5.168 312 HA ASN 38 HA ASN 38 -3.985 1.507 5.656 313 HB2 ASN 38 2HB ASN 38 -1.937 1.343 7.150 314 HB3 ASN 38 1HB ASN 38 -2.214 3.021 7.589 315 HD21 ASN 38 1HD2 ASN 38 -2.211 0.559 9.190 316 HD22 ASN 38 2HD2 ASN 38 -3.742 0.515 9.989 317 H ASP 39 H ASP 39 -2.628 4.765 5.675 318 HA ASP 39 HA ASP 39 -4.871 6.133 6.620 319 HB2 ASP 39 2HB ASP 39 -2.828 7.351 6.432 320 HB3 ASP 39 1HB ASP 39 -2.685 6.976 4.716 321 H ARG 40 H ARG 40 -3.888 5.543 3.245 322 HA ARG 40 HA ARG 40 -6.123 6.737 2.066 323 HB2 ARG 40 2HB ARG 40 -3.904 5.061 1.178 324 HB3 ARG 40 1HB ARG 40 -5.379 4.778 0.262 325 HG2 ARG 40 2HG ARG 40 -3.965 6.470 -0.786 326 HG3 ARG 40 1HG ARG 40 -5.524 7.131 -0.296 327 HD2 ARG 40 2HD ARG 40 -4.443 8.011 1.760 328 HD3 ARG 40 1HD ARG 40 -2.891 7.453 1.138 329 HE ARG 40 HE ARG 40 -3.493 8.981 -0.843 330 HH11 ARG 40 1HH1 ARG 40 -4.271 9.607 2.525 331 HH12 ARG 40 2HH1 ARG 40 -4.343 11.328 2.304 332 HH21 ARG 40 1HH2 ARG 40 -3.547 11.258 -1.125 333 HH22 ARG 40 2HH2 ARG 40 -3.940 12.261 0.244 334 H PHE 41 H PHE 41 -5.582 3.379 3.037 335 HA PHE 41 HA PHE 41 -8.069 2.398 2.090 336 HB2 PHE 41 2HB PHE 41 -6.036 1.373 4.048 337 HB3 PHE 41 1HB PHE 41 -7.579 0.547 3.842 338 HD1 PHE 41 1HD PHE 41 -8.086 0.815 1.016 339 HD2 PHE 41 2HD PHE 41 -4.438 0.014 3.043 340 HE1 PHE 41 1HE PHE 41 -7.245 -0.333 -0.967 341 HE2 PHE 41 2HE PHE 41 -3.581 -1.150 1.050 342 HZ PHE 41 HZ PHE 41 -4.993 -1.328 -0.966 343 H GLN 42 H GLN 42 -7.194 4.239 4.872 344 HA GLN 42 HA GLN 42 -9.625 3.516 6.306 345 HB2 GLN 42 2HB GLN 42 -7.106 4.424 7.086 346 HB3 GLN 42 1HB GLN 42 -8.188 5.773 7.416 347 HG2 GLN 42 2HG GLN 42 -7.963 4.321 9.350 348 HG3 GLN 42 1HG GLN 42 -9.617 4.323 8.740 349 HE21 GLN 42 1HE2 GLN 42 -6.982 2.589 7.216 350 HE22 GLN 42 2HE2 GLN 42 -7.572 1.003 7.575 351 H ARG 43 H ARG 43 -8.305 6.351 4.601 352 HA ARG 43 HA ARG 43 -10.429 8.101 5.360 353 HB2 ARG 43 2HB ARG 43 -8.830 8.474 2.840 354 HB3 ARG 43 1HB ARG 43 -9.502 9.697 3.903 355 HG2 ARG 43 2HG ARG 43 -7.131 7.935 4.451 356 HG3 ARG 43 1HG ARG 43 -7.113 9.661 4.103 357 HD2 ARG 43 2HD ARG 43 -8.526 8.487 6.486 358 HD3 ARG 43 1HD ARG 43 -6.838 8.985 6.525 359 HE ARG 43 HE ARG 43 -9.169 10.744 6.247 360 HH11 ARG 43 1HH1 ARG 43 -5.681 10.366 6.537 361 HH12 ARG 43 2HH1 ARG 43 -5.442 12.008 7.068 362 HH21 ARG 43 1HH2 ARG 43 -8.835 12.866 6.976 363 HH22 ARG 43 2HH2 ARG 43 -7.230 13.412 7.348 364 H GLN 44 H GLN 44 -9.809 6.060 2.563 365 HA GLN 44 HA GLN 44 -12.610 6.455 1.734 366 HB2 GLN 44 2HB GLN 44 -10.098 6.193 0.134 367 HB3 GLN 44 1HB GLN 44 -11.583 5.533 -0.531 368 HG2 GLN 44 2HG GLN 44 -11.235 8.387 0.361 369 HG3 GLN 44 1HG GLN 44 -11.071 7.824 -1.302 370 HE21 GLN 44 1HE2 GLN 44 -12.945 9.766 -0.260 371 HE22 GLN 44 2HE2 GLN 44 -14.527 9.135 -0.579 372 H LYS 45 H LYS 45 -13.160 4.382 0.215 373 HA LYS 45 HA LYS 45 -12.677 2.068 1.915 374 HB2 LYS 45 2HB LYS 45 -14.425 2.456 -0.526 375 HB3 LYS 45 1HB LYS 45 -14.236 0.911 0.284 376 HG2 LYS 45 2HG LYS 45 -16.262 1.846 1.049 377 HG3 LYS 45 1HG LYS 45 -15.106 2.011 2.369 378 HD2 LYS 45 2HD LYS 45 -14.734 4.340 1.771 379 HD3 LYS 45 1HD LYS 45 -15.839 4.181 0.406 380 HE2 LYS 45 2HE LYS 45 -17.679 3.711 1.936 381 HE3 LYS 45 1HE LYS 45 -16.578 3.826 3.310 382 HZ1 LYS 45 3HZ LYS 45 -16.199 6.129 2.819 383 HZ2 LYS 45 1HZ LYS 45 -17.869 5.861 2.947 384 HZ3 LYS 45 2HZ LYS 45 -17.155 6.044 1.418 385 H TYR 46 H TYR 46 -12.145 3.137 -1.405 386 HA TYR 46 HA TYR 46 -9.815 1.374 -1.523 387 HB2 TYR 46 2HB TYR 46 -11.994 1.524 -3.607 388 HB3 TYR 46 1HB TYR 46 -10.396 0.865 -3.936 389 HD1 TYR 46 2HD TYR 46 -9.620 -1.014 -2.235 390 HD2 TYR 46 1HD TYR 46 -13.675 0.061 -2.963 391 HE1 TYR 46 2HE TYR 46 -10.347 -3.209 -1.397 392 HE2 TYR 46 1HE TYR 46 -14.409 -2.129 -2.123 393 HH TYR 46 HH TYR 46 -12.407 -4.202 -0.391 394 H LEU 47 H LEU 47 -8.349 1.982 -3.350 395 HA LEU 47 HA LEU 47 -8.109 4.864 -3.428 396 HB2 LEU 47 2HB LEU 47 -6.318 2.617 -4.308 397 HB3 LEU 47 1HB LEU 47 -5.998 4.273 -4.786 398 HG LEU 47 HG LEU 47 -5.921 4.881 -2.352 399 HD11 LEU 47 1HD1 LEU 47 -5.873 1.894 -1.956 400 HD12 LEU 47 2HD1 LEU 47 -7.171 2.980 -1.465 401 HD13 LEU 47 3HD1 LEU 47 -5.580 3.117 -0.719 402 HD21 LEU 47 3HD2 LEU 47 -3.937 2.849 -3.361 403 HD22 LEU 47 1HD2 LEU 47 -3.673 3.948 -2.005 404 HD23 LEU 47 2HD2 LEU 47 -3.894 4.591 -3.631 405 H SER 48 H SER 48 -8.639 6.116 -5.045 406 HA SER 48 HA SER 48 -9.861 5.021 -7.399 407 HB2 SER 48 2HB SER 48 -10.864 6.972 -6.329 408 HB3 SER 48 1HB SER 48 -9.363 7.876 -6.507 409 HG SER 48 HG SER 48 -11.378 7.438 -8.310 410 H LEU 49 H LEU 49 -9.245 6.356 -9.478 411 HA LEU 49 HA LEU 49 -6.734 5.429 -10.300 412 HB2 LEU 49 2HB LEU 49 -8.703 7.365 -11.499 413 HB3 LEU 49 1HB LEU 49 -7.233 6.903 -12.306 414 HG LEU 49 HG LEU 49 -8.971 5.593 -13.247 415 HD11 LEU 49 1HD1 LEU 49 -8.305 3.310 -12.704 416 HD12 LEU 49 2HD1 LEU 49 -7.474 3.896 -11.262 417 HD13 LEU 49 3HD1 LEU 49 -6.908 4.376 -12.862 418 HD21 LEU 49 3HD2 LEU 49 -10.665 5.851 -11.549 419 HD22 LEU 49 1HD2 LEU 49 -9.737 4.854 -10.430 420 HD23 LEU 49 2HD2 LEU 49 -10.420 4.136 -11.886 421 H GLN 50 H GLN 50 -7.894 8.553 -9.213 422 HA GLN 50 HA GLN 50 -5.501 9.981 -9.812 423 HB2 GLN 50 2HB GLN 50 -8.065 10.659 -9.029 424 HB3 GLN 50 1HB GLN 50 -7.104 11.055 -7.610 425 HG2 GLN 50 2HG GLN 50 -6.515 12.043 -10.395 426 HG3 GLN 50 1HG GLN 50 -7.431 12.944 -9.190 427 HE21 GLN 50 1HE2 GLN 50 -4.907 13.595 -10.532 428 HE22 GLN 50 2HE2 GLN 50 -3.750 13.840 -9.268 429 H GLN 51 H GLN 51 -6.688 8.180 -7.045 430 HA GLN 51 HA GLN 51 -4.748 9.126 -5.205 431 HB2 GLN 51 2HB GLN 51 -6.687 6.841 -5.217 432 HB3 GLN 51 1HB GLN 51 -5.485 6.975 -3.946 433 HG2 GLN 51 2HG GLN 51 -6.354 9.200 -3.374 434 HG3 GLN 51 1HG GLN 51 -7.583 9.031 -4.625 435 HE21 GLN 51 1HE2 GLN 51 -9.343 7.712 -4.259 436 HE22 GLN 51 2HE2 GLN 51 -9.687 6.995 -2.725 437 H MET 52 H MET 52 -4.947 6.242 -7.270 438 HA MET 52 HA MET 52 -2.603 5.058 -6.207 439 HB2 MET 52 2HB MET 52 -2.671 3.574 -8.186 440 HB3 MET 52 1HB MET 52 -4.196 3.660 -7.322 441 HG2 MET 52 2HG MET 52 -5.025 5.247 -9.023 442 HG3 MET 52 1HG MET 52 -3.516 5.036 -9.908 443 HE1 MET 52 3HE MET 52 -6.782 3.221 -8.601 444 HE2 MET 52 1HE MET 52 -5.452 2.301 -7.895 445 HE3 MET 52 2HE MET 52 -6.471 1.570 -9.135 446 H GLN 53 H GLN 53 -3.105 7.321 -8.890 447 HA GLN 53 HA GLN 53 -0.365 7.159 -9.727 448 HB2 GLN 53 2HB GLN 53 -0.839 9.149 -11.097 449 HB3 GLN 53 1HB GLN 53 -1.996 7.854 -11.358 450 HG2 GLN 53 2HG GLN 53 -3.598 9.022 -9.918 451 HG3 GLN 53 1HG GLN 53 -2.439 10.335 -9.717 452 HE21 GLN 53 1HE2 GLN 53 -2.757 8.628 -12.722 453 HE22 GLN 53 2HE2 GLN 53 -3.494 9.916 -13.615 454 H GLU 54 H GLU 54 -2.188 9.144 -7.499 455 HA GLU 54 HA GLU 54 -0.183 11.044 -6.921 456 HB2 GLU 54 2HB GLU 54 -2.513 11.347 -6.230 457 HB3 GLU 54 1HB GLU 54 -2.402 9.944 -5.179 458 HG2 GLU 54 2HG GLU 54 -0.733 11.116 -3.815 459 HG3 GLU 54 1HG GLU 54 -0.903 12.535 -4.850 460 H LEU 55 H LEU 55 -1.043 7.958 -5.406 461 HA LEU 55 HA LEU 55 0.875 7.971 -3.382 462 HB2 LEU 55 2HB LEU 55 -1.062 6.468 -3.466 463 HB3 LEU 55 1HB LEU 55 -0.334 5.617 -4.815 464 HG LEU 55 HG LEU 55 1.533 4.932 -3.341 465 HD11 LEU 55 1HD1 LEU 55 1.366 5.222 -0.947 466 HD12 LEU 55 2HD1 LEU 55 -0.132 6.133 -1.136 467 HD13 LEU 55 3HD1 LEU 55 1.385 6.793 -1.748 468 HD21 LEU 55 3HD2 LEU 55 0.259 3.288 -2.058 469 HD22 LEU 55 1HD2 LEU 55 -0.360 3.451 -3.699 470 HD23 LEU 55 2HD2 LEU 55 -1.220 4.203 -2.354 471 H SER 56 H SER 56 1.035 6.633 -6.646 472 HA SER 56 HA SER 56 3.575 5.457 -6.394 473 HB2 SER 56 2HB SER 56 3.548 5.801 -8.995 474 HB3 SER 56 1HB SER 56 2.406 4.689 -8.238 475 HG SER 56 HG SER 56 0.789 6.050 -8.603 476 H ASN 57 H ASN 57 2.566 8.724 -7.165 477 HA ASN 57 HA ASN 57 5.073 9.694 -8.040 478 HB2 ASN 57 2HB ASN 57 3.045 10.945 -8.481 479 HB3 ASN 57 1HB ASN 57 2.741 11.133 -6.758 480 HD21 ASN 57 1HD2 ASN 57 3.894 12.656 -5.593 481 HD22 ASN 57 2HD2 ASN 57 4.886 13.864 -6.342 482 H ILE 58 H ILE 58 3.585 9.470 -4.846 483 HA ILE 58 HA ILE 58 5.562 11.052 -3.534 484 HB ILE 58 HB ILE 58 3.666 9.078 -2.261 485 HG12 ILE 58 2HG1 ILE 58 3.224 11.977 -3.000 486 HG13 ILE 58 1HG1 ILE 58 2.401 10.591 -3.697 487 HG21 ILE 58 1HG2 ILE 58 5.000 11.558 -1.184 488 HG22 ILE 58 2HG2 ILE 58 5.435 9.894 -0.795 489 HG23 ILE 58 3HG2 ILE 58 3.866 10.532 -0.308 490 HD11 ILE 58 3HD1 ILE 58 0.982 11.741 -2.110 491 HD12 ILE 58 1HD1 ILE 58 2.186 11.515 -0.843 492 HD13 ILE 58 2HD1 ILE 58 1.365 10.118 -1.540 493 H LEU 59 H LEU 59 4.969 7.549 -3.759 494 HA LEU 59 HA LEU 59 7.276 7.030 -2.082 495 HB2 LEU 59 2HB LEU 59 5.288 5.186 -3.398 496 HB3 LEU 59 1HB LEU 59 6.634 4.623 -2.428 497 HG LEU 59 HG LEU 59 4.345 6.335 -1.456 498 HD11 LEU 59 1HD1 LEU 59 3.781 4.365 -0.120 499 HD12 LEU 59 2HD1 LEU 59 5.077 3.468 -0.911 500 HD13 LEU 59 3HD1 LEU 59 3.697 4.036 -1.851 501 HD21 LEU 59 3HD2 LEU 59 6.420 6.905 -0.315 502 HD22 LEU 59 1HD2 LEU 59 6.702 5.203 0.039 503 HD23 LEU 59 2HD2 LEU 59 5.326 6.036 0.762 504 H ASN 60 H ASN 60 7.116 7.914 -5.141 505 HA ASN 60 HA ASN 60 8.350 7.646 -7.032 506 HB2 ASN 60 2HB ASN 60 10.134 8.114 -5.256 507 HB3 ASN 60 1HB ASN 60 10.465 6.385 -5.284 508 HD21 ASN 60 1HD2 ASN 60 12.264 8.488 -5.948 509 HD22 ASN 60 2HD2 ASN 60 12.712 8.299 -7.607 510 H LEU 61 H LEU 61 6.548 5.840 -7.111 511 HA LEU 61 HA LEU 61 7.912 3.371 -7.954 512 HB2 LEU 61 2HB LEU 61 5.280 3.585 -6.488 513 HB3 LEU 61 1HB LEU 61 5.894 2.112 -7.212 514 HG LEU 61 HG LEU 61 7.217 3.619 -4.953 515 HD11 LEU 61 1HD1 LEU 61 5.135 2.613 -4.230 516 HD12 LEU 61 2HD1 LEU 61 6.501 1.709 -3.577 517 HD13 LEU 61 3HD1 LEU 61 5.601 1.073 -4.953 518 HD21 LEU 61 3HD2 LEU 61 8.830 2.423 -6.326 519 HD22 LEU 61 1HD2 LEU 61 7.863 0.950 -6.206 520 HD23 LEU 61 2HD2 LEU 61 8.626 1.624 -4.767 521 H SER 62 H SER 62 6.565 2.115 -9.517 522 HA SER 62 HA SER 62 5.679 3.877 -11.578 523 HB2 SER 62 2HB SER 62 6.797 1.873 -12.249 524 HB3 SER 62 1HB SER 62 5.706 0.870 -11.294 525 HG SER 62 HG SER 62 5.439 1.317 -13.783 526 H TYR 63 H TYR 63 3.633 4.328 -12.253 527 HA TYR 63 HA TYR 63 1.427 4.131 -10.563 528 HB2 TYR 63 2HB TYR 63 1.387 5.764 -12.308 529 HB3 TYR 63 1HB TYR 63 1.661 4.547 -13.549 530 HD1 TYR 63 2HD TYR 63 -0.836 5.908 -11.189 531 HD2 TYR 63 1HD TYR 63 -0.159 3.340 -14.515 532 HE1 TYR 63 2HE TYR 63 -3.261 5.724 -11.541 533 HE2 TYR 63 1HE TYR 63 -2.585 3.150 -14.870 534 HH TYR 63 HH TYR 63 -4.830 5.203 -13.369 535 H LYS 64 H LYS 64 2.655 2.036 -13.070 536 HA LYS 64 HA LYS 64 0.447 0.276 -13.198 537 HB2 LYS 64 2HB LYS 64 3.363 -0.105 -13.899 538 HB3 LYS 64 1HB LYS 64 2.102 -1.270 -14.255 539 HG2 LYS 64 2HG LYS 64 0.970 0.388 -15.659 540 HG3 LYS 64 1HG LYS 64 2.261 1.539 -15.311 541 HD2 LYS 64 2HD LYS 64 3.887 0.105 -16.382 542 HD3 LYS 64 1HD LYS 64 2.666 -1.146 -16.629 543 HE2 LYS 64 2HE LYS 64 1.398 0.437 -18.043 544 HE3 LYS 64 1HE LYS 64 2.707 1.604 -17.859 545 HZ1 LYS 64 3HZ LYS 64 2.829 0.313 -19.939 546 HZ2 LYS 64 1HZ LYS 64 3.023 -1.108 -19.035 547 HZ3 LYS 64 2HZ LYS 64 4.201 0.109 -18.969 548 H GLN 65 H GLN 65 3.425 0.352 -11.299 549 HA GLN 65 HA GLN 65 3.033 -2.186 -10.094 550 HB2 GLN 65 2HB GLN 65 4.734 0.187 -9.365 551 HB3 GLN 65 1HB GLN 65 4.664 -1.240 -8.342 552 HG2 GLN 65 2HG GLN 65 5.625 -1.073 -11.189 553 HG3 GLN 65 1HG GLN 65 6.578 -1.419 -9.747 554 HE21 GLN 65 1HE2 GLN 65 4.393 -2.671 -12.100 555 HE22 GLN 65 2HE2 GLN 65 4.483 -4.333 -11.625 556 H VAL 66 H VAL 66 2.169 1.122 -9.142 557 HA VAL 66 HA VAL 66 1.114 0.350 -6.605 558 HB VAL 66 HB VAL 66 0.578 2.814 -8.269 559 HG11 VAL 66 1HG1 VAL 66 -1.292 2.409 -6.750 560 HG12 VAL 66 2HG1 VAL 66 -0.338 3.794 -6.214 561 HG13 VAL 66 3HG1 VAL 66 -0.169 2.239 -5.399 562 HG21 VAL 66 3HG2 VAL 66 2.883 2.572 -7.520 563 HG22 VAL 66 1HG2 VAL 66 2.331 2.330 -5.863 564 HG23 VAL 66 2HG2 VAL 66 2.083 3.885 -6.656 565 H LYS 67 H LYS 67 -0.250 0.779 -9.811 566 HA LYS 67 HA LYS 67 -2.956 0.407 -9.175 567 HB2 LYS 67 2HB LYS 67 -1.912 1.269 -11.331 568 HB3 LYS 67 1HB LYS 67 -1.612 -0.409 -11.745 569 HG2 LYS 67 2HG LYS 67 -4.042 -0.835 -11.617 570 HG3 LYS 67 1HG LYS 67 -4.294 0.888 -11.317 571 HD2 LYS 67 2HD LYS 67 -3.046 1.322 -13.469 572 HD3 LYS 67 1HD LYS 67 -3.138 -0.412 -13.776 573 HE2 LYS 67 2HE LYS 67 -4.935 0.646 -14.938 574 HE3 LYS 67 1HE LYS 67 -5.610 -0.248 -13.578 575 HZ1 LYS 67 3HZ LYS 67 -5.748 1.815 -12.332 576 HZ2 LYS 67 1HZ LYS 67 -6.611 1.935 -13.786 577 HZ3 LYS 67 2HZ LYS 67 -5.092 2.679 -13.631 578 H THR 68 H THR 68 -0.439 -1.854 -10.133 579 HA THR 68 HA THR 68 -2.123 -4.139 -10.246 580 HB THR 68 HB THR 68 0.888 -4.030 -9.940 581 HG1 THR 68 1HG THR 68 0.239 -2.964 -11.832 582 HG21 THR 68 3HG2 THR 68 -0.083 -6.226 -9.410 583 HG22 THR 68 1HG2 THR 68 0.867 -6.271 -10.897 584 HG23 THR 68 2HG2 THR 68 -0.895 -6.237 -10.976 585 H TRP 69 H TRP 69 0.097 -2.847 -7.782 586 HA TRP 69 HA TRP 69 -0.110 -4.972 -5.964 587 HB2 TRP 69 2HB TRP 69 1.546 -3.056 -5.903 588 HB3 TRP 69 1HB TRP 69 0.261 -2.066 -5.227 589 HD1 TRP 69 HD TRP 69 2.547 -5.011 -4.346 590 HE1 TRP 69 1HE TRP 69 2.569 -5.302 -1.791 591 HE3 TRP 69 3HE TRP 69 -1.107 -1.650 -3.110 592 HZ2 TRP 69 2HZ TRP 69 1.210 -4.275 0.444 593 HZ3 TRP 69 3HZ TRP 69 -1.691 -1.377 -0.733 594 HH2 TRP 69 HH TRP 69 -0.554 -2.663 1.004 595 H PHE 70 H PHE 70 -2.002 -1.999 -6.298 596 HA PHE 70 HA PHE 70 -3.708 -2.377 -4.106 597 HB2 PHE 70 2HB PHE 70 -3.622 -0.233 -5.181 598 HB3 PHE 70 1HB PHE 70 -4.106 -0.922 -6.726 599 HD1 PHE 70 2HD PHE 70 -5.341 -0.474 -3.237 600 HD2 PHE 70 1HD PHE 70 -6.306 -0.849 -7.365 601 HE1 PHE 70 2HE PHE 70 -7.701 0.004 -2.730 602 HE2 PHE 70 1HE PHE 70 -8.662 -0.373 -6.864 603 HZ PHE 70 HZ PHE 70 -9.364 0.053 -4.542 604 H GLN 71 H GLN 71 -4.140 -3.276 -7.527 605 HA GLN 71 HA GLN 71 -6.666 -4.496 -7.147 606 HB2 GLN 71 2HB GLN 71 -4.586 -4.776 -9.306 607 HB3 GLN 71 1HB GLN 71 -6.121 -5.633 -9.356 608 HG2 GLN 71 2HG GLN 71 -5.772 -2.648 -9.260 609 HG3 GLN 71 1HG GLN 71 -6.191 -3.600 -10.684 610 HE21 GLN 71 1HE2 GLN 71 -7.653 -1.451 -9.333 611 HE22 GLN 71 2HE2 GLN 71 -9.196 -2.115 -8.935 612 H ASN 72 H ASN 72 -3.412 -5.621 -6.745 613 HA ASN 72 HA ASN 72 -3.977 -8.399 -6.662 614 HB2 ASN 72 2HB ASN 72 -1.697 -7.454 -7.035 615 HB3 ASN 72 1HB ASN 72 -1.683 -6.917 -5.357 616 HD21 ASN 72 1HD2 ASN 72 -1.511 -9.634 -7.499 617 HD22 ASN 72 2HD2 ASN 72 -0.982 -10.786 -6.326 618 H GLN 73 H GLN 73 -3.597 -5.902 -4.153 619 HA GLN 73 HA GLN 73 -4.119 -7.620 -1.973 620 HB2 GLN 73 2HB GLN 73 -4.576 -4.640 -2.209 621 HB3 GLN 73 1HB GLN 73 -4.576 -5.546 -0.703 622 HG2 GLN 73 2HG GLN 73 -2.252 -5.156 -2.570 623 HG3 GLN 73 1HG GLN 73 -2.468 -4.431 -0.978 624 HE21 GLN 73 1HE2 GLN 73 -0.345 -6.156 -2.054 625 HE22 GLN 73 2HE2 GLN 73 -0.253 -7.513 -0.986 626 H ARG 74 H ARG 74 -6.177 -5.858 -4.176 627 HA ARG 74 HA ARG 74 -8.600 -6.295 -2.751 628 HB2 ARG 74 2HB ARG 74 -8.222 -4.528 -4.514 629 HB3 ARG 74 1HB ARG 74 -8.285 -5.804 -5.722 630 HG2 ARG 74 2HG ARG 74 -10.549 -5.462 -3.803 631 HG3 ARG 74 1HG ARG 74 -10.402 -4.386 -5.194 632 HD2 ARG 74 2HD ARG 74 -10.510 -6.247 -6.711 633 HD3 ARG 74 1HD ARG 74 -10.432 -7.396 -5.375 634 HE ARG 74 HE ARG 74 -12.650 -6.350 -4.683 635 HH11 ARG 74 1HH1 ARG 74 -11.587 -6.488 -8.011 636 HH12 ARG 74 2HH1 ARG 74 -13.186 -6.636 -8.667 637 HH21 ARG 74 1HH2 ARG 74 -14.770 -6.555 -5.521 638 HH22 ARG 74 2HH2 ARG 74 -15.009 -6.668 -7.241 639 H MET 75 H MET 75 -6.916 -8.038 -5.367 640 HA MET 75 HA MET 75 -9.007 -9.975 -5.635 641 HB2 MET 75 2HB MET 75 -7.509 -11.220 -7.071 642 HB3 MET 75 1HB MET 75 -7.431 -9.513 -7.477 643 HG2 MET 75 2HG MET 75 -5.335 -9.325 -6.224 644 HG3 MET 75 1HG MET 75 -5.413 -11.046 -5.858 645 HE1 MET 75 3HE MET 75 -5.027 -8.345 -8.677 646 HE2 MET 75 1HE MET 75 -6.416 -9.277 -9.231 647 HE3 MET 75 2HE MET 75 -4.896 -9.351 -10.121 648 H LYS 76 H LYS 76 -6.137 -9.730 -3.633 649 HA LYS 76 HA LYS 76 -6.101 -12.344 -2.585 650 HB2 LYS 76 2HB LYS 76 -5.391 -9.696 -1.305 651 HB3 LYS 76 1HB LYS 76 -5.115 -11.243 -0.531 652 HG2 LYS 76 2HG LYS 76 -3.916 -10.485 -3.183 653 HG3 LYS 76 1HG LYS 76 -3.122 -10.211 -1.635 654 HD2 LYS 76 2HD LYS 76 -3.298 -12.651 -1.178 655 HD3 LYS 76 1HD LYS 76 -3.932 -12.868 -2.810 656 HE2 LYS 76 2HE LYS 76 -1.585 -13.350 -2.848 657 HE3 LYS 76 1HE LYS 76 -1.847 -11.825 -3.692 658 HZ1 LYS 76 3HZ LYS 76 -1.341 -10.830 -1.350 659 HZ2 LYS 76 1HZ LYS 76 -0.066 -11.323 -2.356 660 HZ3 LYS 76 2HZ LYS 76 -0.573 -12.319 -1.083 661 H SER 77 H SER 77 -8.024 -9.515 -1.841 662 HA SER 77 HA SER 77 -9.197 -10.599 0.525 663 HB2 SER 77 2HB SER 77 -10.052 -8.243 -1.171 664 HB3 SER 77 1HB SER 77 -10.621 -8.605 0.459 665 HG SER 77 HG SER 77 -8.015 -7.846 -0.364 666 H LYS 78 H LYS 78 -9.986 -10.667 -2.877 667 HA LYS 78 HA LYS 78 -12.725 -11.362 -2.594 668 HB2 LYS 78 2HB LYS 78 -11.497 -10.539 -4.718 669 HB3 LYS 78 1HB LYS 78 -10.985 -12.207 -4.916 670 HG2 LYS 78 2HG LYS 78 -13.882 -11.443 -4.667 671 HG3 LYS 78 1HG LYS 78 -13.038 -11.452 -6.214 672 HD2 LYS 78 2HD LYS 78 -13.066 -13.856 -4.413 673 HD3 LYS 78 1HD LYS 78 -14.371 -13.544 -5.557 674 HE2 LYS 78 2HE LYS 78 -11.485 -13.645 -6.395 675 HE3 LYS 78 1HE LYS 78 -12.493 -15.089 -6.320 676 HZ1 LYS 78 3HZ LYS 78 -14.034 -14.010 -7.869 677 HZ2 LYS 78 1HZ LYS 78 -12.492 -14.209 -8.546 678 HZ3 LYS 78 2HZ LYS 78 -12.992 -12.681 -7.991 679 H ARG 79 H ARG 79 -9.977 -13.431 -3.579 680 HA ARG 79 HA ARG 79 -10.993 -15.533 -1.833 681 HB2 ARG 79 2HB ARG 79 -12.069 -15.925 -4.016 682 HB3 ARG 79 1HB ARG 79 -10.489 -15.978 -4.781 683 HG2 ARG 79 2HG ARG 79 -9.911 -17.968 -3.529 684 HG3 ARG 79 1HG ARG 79 -11.450 -17.895 -2.671 685 HD2 ARG 79 2HD ARG 79 -11.119 -18.244 -5.646 686 HD3 ARG 79 1HD ARG 79 -11.505 -19.528 -4.500 687 HE ARG 79 HE ARG 79 -13.418 -17.543 -4.153 688 HH11 ARG 79 1HH1 ARG 79 -12.376 -19.687 -6.730 689 HH12 ARG 79 2HH1 ARG 79 -13.960 -19.802 -7.440 690 HH21 ARG 79 1HH2 ARG 79 -15.501 -17.716 -5.073 691 HH22 ARG 79 2HH2 ARG 79 -15.734 -18.688 -6.493 692 H TRP 80 H TRP 80 -8.708 -15.489 -4.505 693 HA TRP 80 HA TRP 80 -6.351 -15.407 -2.926 694 HB2 TRP 80 2HB TRP 80 -7.236 -17.758 -2.486 695 HB3 TRP 80 1HB TRP 80 -6.998 -18.085 -4.197 696 HD1 TRP 80 HD TRP 80 -4.860 -16.937 -1.171 697 HE1 TRP 80 1HE TRP 80 -2.523 -17.997 -1.403 698 HE3 TRP 80 3HE TRP 80 -5.497 -19.285 -5.666 699 HZ2 TRP 80 2HZ TRP 80 -1.140 -19.620 -3.260 700 HZ3 TRP 80 3HZ TRP 80 -3.618 -20.574 -6.600 701 HH2 TRP 80 HH TRP 80 -1.489 -20.736 -5.422 702 H GLN 81 H GLN 81 -5.517 -13.973 -4.352 703 HA GLN 81 HA GLN 81 -5.069 -12.866 -6.278 704 HB2 GLN 81 2HB GLN 81 -4.685 -15.707 -7.228 705 HB3 GLN 81 1HB GLN 81 -4.408 -14.321 -8.275 706 HG2 GLN 81 2HG GLN 81 -2.301 -14.927 -7.437 707 HG3 GLN 81 1HG GLN 81 -2.778 -13.494 -6.528 708 HE21 GLN 81 1HE2 GLN 81 -2.245 -16.920 -6.416 709 HE22 GLN 81 2HE2 GLN 81 -2.241 -17.063 -4.689 710 H LYS 82 H LYS 82 -5.765 -13.142 -8.905 711 HA LYS 82 HA LYS 82 -8.686 -13.221 -8.700 712 HB2 LYS 82 2HB LYS 82 -7.429 -11.171 -9.643 713 HB3 LYS 82 1HB LYS 82 -7.178 -12.157 -11.078 714 HG2 LYS 82 2HG LYS 82 -9.629 -12.463 -11.238 715 HG3 LYS 82 1HG LYS 82 -9.820 -11.348 -9.886 716 HD2 LYS 82 2HD LYS 82 -10.107 -9.927 -11.664 717 HD3 LYS 82 1HD LYS 82 -8.373 -9.766 -11.392 718 HE2 LYS 82 2HE LYS 82 -9.621 -11.639 -13.397 719 HE3 LYS 82 1HE LYS 82 -9.000 -10.037 -13.783 720 HZ1 LYS 82 3HZ LYS 82 -7.366 -11.683 -14.311 721 HZ2 LYS 82 1HZ LYS 82 -7.431 -12.339 -12.751 722 HZ3 LYS 82 2HZ LYS 82 -6.808 -10.783 -12.992 723 H ASN 83 H ASN 83 -8.216 -15.619 -8.621 724 HA ASN 83 HA ASN 83 -8.281 -16.688 -11.365 725 HB2 ASN 83 2HB ASN 83 -6.387 -17.553 -10.027 726 HB3 ASN 83 1HB ASN 83 -7.518 -18.119 -8.802 727 HD21 ASN 83 1HD2 ASN 83 -6.312 -18.601 -12.032 728 HD22 ASN 83 2HD2 ASN 83 -6.926 -20.206 -12.231 729 H ASN 84 H ASN 84 -10.341 -16.796 -11.892 730 HA ASN 84 HA ASN 84 -12.574 -17.171 -11.871 731 HB2 ASN 84 2HB ASN 84 -11.865 -19.149 -9.693 732 HB3 ASN 84 1HB ASN 84 -13.471 -18.994 -10.401 733 HD21 ASN 84 1HD2 ASN 84 -10.222 -20.061 -10.877 734 HD22 ASN 84 2HD2 ASN 84 -10.496 -20.933 -12.346 Start of MODEL 4 1 H1 SER 1 H1 SER 1 -9.525 14.442 -5.281 2 H2 SER 1 H2 SER 1 -8.902 13.452 -6.507 3 H3 SER 1 H3 SER 1 -8.284 15.012 -6.283 4 HA SER 1 HA SER 1 -8.039 12.735 -4.409 5 HB2 SER 1 2HB SER 1 -6.557 12.566 -6.357 6 HB3 SER 1 1HB SER 1 -5.991 14.213 -6.090 7 HG SER 1 HG SER 1 -4.568 12.586 -5.259 8 H LYS 2 H LYS 2 -7.430 16.155 -5.072 9 HA LYS 2 HA LYS 2 -7.324 17.961 -3.715 10 HB2 LYS 2 2HB LYS 2 -8.056 16.023 -1.516 11 HB3 LYS 2 1HB LYS 2 -7.957 17.768 -1.319 12 HG2 LYS 2 2HG LYS 2 -9.729 18.030 -3.011 13 HG3 LYS 2 1HG LYS 2 -9.859 16.270 -3.108 14 HD2 LYS 2 2HD LYS 2 -10.468 16.169 -0.753 15 HD3 LYS 2 1HD LYS 2 -10.276 17.920 -0.615 16 HE2 LYS 2 2HE LYS 2 -12.077 18.225 -2.257 17 HE3 LYS 2 1HE LYS 2 -12.283 16.476 -2.346 18 HZ1 LYS 2 3HZ LYS 2 -12.658 18.131 0.097 19 HZ2 LYS 2 1HZ LYS 2 -12.902 16.454 -0.019 20 HZ3 LYS 2 2HZ LYS 2 -13.901 17.521 -0.877 21 H GLN 3 H GLN 3 -5.195 15.535 -3.735 22 HA GLN 3 HA GLN 3 -3.034 15.267 -3.143 23 HB2 GLN 3 2HB GLN 3 -3.278 18.240 -2.798 24 HB3 GLN 3 1HB GLN 3 -1.767 17.394 -2.498 25 HG2 GLN 3 2HG GLN 3 -1.837 16.534 -4.811 26 HG3 GLN 3 1HG GLN 3 -3.290 17.495 -5.089 27 HE21 GLN 3 1HE2 GLN 3 -0.630 17.624 -6.351 28 HE22 GLN 3 2HE2 GLN 3 -0.095 19.256 -6.121 29 HA PRO 4 HA PRO 4 -3.959 14.747 1.318 30 HB2 PRO 4 2HB PRO 4 -2.537 12.220 0.859 31 HB3 PRO 4 1HB PRO 4 -4.148 12.494 1.525 32 HG2 PRO 4 2HG PRO 4 -3.777 11.424 -0.917 33 HG3 PRO 4 1HG PRO 4 -5.153 12.480 -0.549 34 HD2 PRO 4 2HD PRO 4 -2.599 13.118 -1.980 35 HD3 PRO 4 1HD PRO 4 -4.261 13.628 -2.353 36 H THR 5 H THR 5 -2.167 13.446 2.855 37 HA THR 5 HA THR 5 -0.160 13.565 3.895 38 HB THR 5 HB THR 5 1.015 14.780 1.387 39 HG1 THR 5 1HG THR 5 1.347 12.734 0.646 40 HG21 THR 5 3HG2 THR 5 3.105 13.796 2.222 41 HG22 THR 5 1HG2 THR 5 2.255 13.199 3.650 42 HG23 THR 5 2HG2 THR 5 2.422 14.935 3.383 43 H SER 6 H SER 6 -1.203 15.097 5.215 44 HA SER 6 HA SER 6 -0.022 17.767 5.007 45 HB2 SER 6 2HB SER 6 -2.322 18.716 5.621 46 HB3 SER 6 1HB SER 6 -2.127 18.142 3.962 47 HG SER 6 HG SER 6 -2.997 16.066 4.911 48 H ALA 7 H ALA 7 -2.369 15.949 6.987 49 HA ALA 7 HA ALA 7 -1.013 16.962 9.393 50 HB1 ALA 7 1HB ALA 7 -3.402 17.492 9.223 51 HB2 ALA 7 2HB ALA 7 -3.081 16.423 10.587 52 HB3 ALA 7 3HB ALA 7 -3.776 15.775 9.104 53 H GLU 8 H GLU 8 -1.009 14.331 7.450 54 HA GLU 8 HA GLU 8 -1.031 12.250 9.437 55 HB2 GLU 8 2HB GLU 8 0.005 12.084 6.604 56 HB3 GLU 8 1HB GLU 8 -0.482 10.745 7.634 57 HG2 GLU 8 2HG GLU 8 -2.358 10.901 6.388 58 HG3 GLU 8 1HG GLU 8 -2.777 12.097 7.615 59 H ASN 9 H ASN 9 1.108 14.613 8.958 60 HA ASN 9 HA ASN 9 3.605 13.286 8.801 61 HB2 ASN 9 2HB ASN 9 3.379 15.682 8.310 62 HB3 ASN 9 1HB ASN 9 2.941 15.995 9.987 63 HD21 ASN 9 1HD2 ASN 9 4.649 17.337 10.412 64 HD22 ASN 9 2HD2 ASN 9 6.290 16.792 10.489 65 H SER 10 H SER 10 3.806 11.635 10.219 66 HA SER 10 HA SER 10 4.534 12.246 12.897 67 HB2 SER 10 2HB SER 10 2.736 10.588 13.829 68 HB3 SER 10 1HB SER 10 2.293 12.268 13.534 69 HG SER 10 HG SER 10 1.878 10.999 11.272 70 H VAL 11 H VAL 11 6.391 11.124 12.718 71 HA VAL 11 HA VAL 11 6.566 8.571 11.426 72 HB VAL 11 HB VAL 11 8.623 9.563 13.371 73 HG11 VAL 11 1HG1 VAL 11 8.948 7.369 12.380 74 HG12 VAL 11 2HG1 VAL 11 10.178 8.498 11.812 75 HG13 VAL 11 3HG1 VAL 11 8.827 8.066 10.765 76 HG21 VAL 11 3HG2 VAL 11 8.083 11.518 12.033 77 HG22 VAL 11 1HG2 VAL 11 8.245 10.575 10.552 78 HG23 VAL 11 2HG2 VAL 11 9.660 10.883 11.559 79 H ALA 12 H ALA 12 7.054 6.563 12.465 80 HA ALA 12 HA ALA 12 6.548 4.904 13.906 81 HB1 ALA 12 1HB ALA 12 8.339 5.921 15.227 82 HB2 ALA 12 2HB ALA 12 7.091 5.223 16.260 83 HB3 ALA 12 3HB ALA 12 7.160 6.968 16.017 84 H LYS 13 H LYS 13 4.385 5.394 12.921 85 HA LYS 13 HA LYS 13 2.496 6.897 14.504 86 HB2 LYS 13 2HB LYS 13 2.559 6.950 12.019 87 HB3 LYS 13 1HB LYS 13 2.115 5.251 11.991 88 HG2 LYS 13 2HG LYS 13 0.163 6.507 11.534 89 HG3 LYS 13 1HG LYS 13 0.001 5.874 13.171 90 HD2 LYS 13 2HD LYS 13 0.597 8.004 14.113 91 HD3 LYS 13 1HD LYS 13 0.961 8.652 12.511 92 HE2 LYS 13 2HE LYS 13 -1.404 8.271 11.876 93 HE3 LYS 13 1HE LYS 13 -1.733 7.770 13.533 94 HZ1 LYS 13 3HZ LYS 13 -2.331 10.072 13.177 95 HZ2 LYS 13 1HZ LYS 13 -0.749 10.442 12.695 96 HZ3 LYS 13 2HZ LYS 13 -1.060 9.967 14.291 97 H LYS 14 H LYS 14 3.635 3.752 14.493 98 HA LYS 14 HA LYS 14 2.945 1.739 15.244 99 HB2 LYS 14 2HB LYS 14 1.004 3.499 16.711 100 HB3 LYS 14 1HB LYS 14 0.785 1.755 16.733 101 HG2 LYS 14 2HG LYS 14 1.991 2.309 18.685 102 HG3 LYS 14 1HG LYS 14 3.147 1.574 17.577 103 HD2 LYS 14 2HD LYS 14 4.252 3.441 18.492 104 HD3 LYS 14 1HD LYS 14 3.752 3.940 16.874 105 HE2 LYS 14 2HE LYS 14 3.265 5.731 18.385 106 HE3 LYS 14 1HE LYS 14 1.739 4.997 17.898 107 HZ1 LYS 14 3HZ LYS 14 1.739 3.747 19.995 108 HZ2 LYS 14 1HZ LYS 14 1.753 5.425 20.259 109 HZ3 LYS 14 2HZ LYS 14 3.176 4.522 20.459 110 H GLU 15 H GLU 15 2.481 2.426 12.791 111 HA GLU 15 HA GLU 15 -0.208 2.111 11.911 112 HB2 GLU 15 2HB GLU 15 0.959 1.769 9.657 113 HB3 GLU 15 1HB GLU 15 1.195 3.314 10.456 114 HG2 GLU 15 2HG GLU 15 3.187 1.119 10.838 115 HG3 GLU 15 1HG GLU 15 3.207 2.084 9.364 116 H ASP 16 H ASP 16 2.402 -0.022 12.662 117 HA ASP 16 HA ASP 16 0.692 -2.318 11.963 118 HB2 ASP 16 2HB ASP 16 2.687 -3.628 11.516 119 HB3 ASP 16 1HB ASP 16 2.734 -2.166 10.536 120 H LYS 17 H LYS 17 2.062 -4.292 13.268 121 HA LYS 17 HA LYS 17 2.711 -3.507 15.946 122 HB2 LYS 17 2HB LYS 17 0.942 -4.948 16.998 123 HB3 LYS 17 1HB LYS 17 0.348 -3.468 16.264 124 HG2 LYS 17 2HG LYS 17 -0.332 -4.794 14.276 125 HG3 LYS 17 1HG LYS 17 0.143 -6.256 15.141 126 HD2 LYS 17 2HD LYS 17 -1.472 -5.763 16.897 127 HD3 LYS 17 1HD LYS 17 -1.925 -4.267 16.080 128 HE2 LYS 17 2HE LYS 17 -2.669 -5.604 14.135 129 HE3 LYS 17 1HE LYS 17 -2.298 -7.073 15.039 130 HZ1 LYS 17 3HZ LYS 17 -3.912 -6.395 16.714 131 HZ2 LYS 17 1HZ LYS 17 -4.640 -6.539 15.186 132 HZ3 LYS 17 2HZ LYS 17 -4.282 -5.004 15.814 133 H VAL 18 H VAL 18 4.092 -4.913 16.828 134 HA VAL 18 HA VAL 18 4.623 -7.358 15.280 135 HB VAL 18 HB VAL 18 6.683 -5.602 16.619 136 HG11 VAL 18 1HG1 VAL 18 8.316 -6.987 15.464 137 HG12 VAL 18 2HG1 VAL 18 7.021 -7.965 14.774 138 HG13 VAL 18 3HG1 VAL 18 7.300 -7.973 16.516 139 HG21 VAL 18 3HG2 VAL 18 7.369 -4.986 14.347 140 HG22 VAL 18 1HG2 VAL 18 5.721 -4.468 14.695 141 HG23 VAL 18 2HG2 VAL 18 6.005 -5.891 13.692 142 HA PRO 19 HA PRO 19 4.110 -9.030 19.551 143 HB2 PRO 19 2HB PRO 19 3.242 -11.373 17.998 144 HB3 PRO 19 1HB PRO 19 2.422 -10.546 19.326 145 HG2 PRO 19 2HG PRO 19 1.533 -10.391 16.792 146 HG3 PRO 19 1HG PRO 19 1.389 -9.034 17.924 147 HD2 PRO 19 2HD PRO 19 3.376 -9.464 15.722 148 HD3 PRO 19 1HD PRO 19 2.529 -7.976 16.203 149 H VAL 20 H VAL 20 5.055 -11.263 20.233 150 HA VAL 20 HA VAL 20 7.723 -11.314 19.171 151 HB VAL 20 HB VAL 20 6.586 -13.020 21.389 152 HG11 VAL 20 1HG1 VAL 20 8.937 -13.258 22.076 153 HG12 VAL 20 2HG1 VAL 20 9.436 -12.348 20.648 154 HG13 VAL 20 3HG1 VAL 20 8.646 -13.916 20.466 155 HG21 VAL 20 3HG2 VAL 20 7.589 -11.396 22.926 156 HG22 VAL 20 1HG2 VAL 20 6.338 -10.659 21.925 157 HG23 VAL 20 2HG2 VAL 20 8.041 -10.382 21.556 158 H LYS 21 H LYS 21 6.829 -11.987 17.124 159 HA LYS 21 HA LYS 21 7.016 -13.481 15.430 160 HB2 LYS 21 2HB LYS 21 8.915 -14.430 16.691 161 HB3 LYS 21 1HB LYS 21 7.803 -15.489 17.545 162 HG2 LYS 21 2HG LYS 21 7.247 -16.629 15.493 163 HG3 LYS 21 1HG LYS 21 8.240 -15.504 14.565 164 HD2 LYS 21 2HD LYS 21 10.235 -16.279 15.714 165 HD3 LYS 21 1HD LYS 21 9.262 -17.349 16.723 166 HE2 LYS 21 2HE LYS 21 8.618 -18.648 14.797 167 HE3 LYS 21 1HE LYS 21 9.459 -17.531 13.722 168 HZ1 LYS 21 3HZ LYS 21 11.547 -18.168 14.663 169 HZ2 LYS 21 1HZ LYS 21 10.727 -19.585 14.216 170 HZ3 LYS 21 2HZ LYS 21 10.795 -19.122 15.842 171 H LYS 22 H LYS 22 4.744 -13.165 15.247 172 HA LYS 22 HA LYS 22 3.044 -15.346 16.207 173 HB2 LYS 22 2HB LYS 22 2.398 -12.870 16.374 174 HB3 LYS 22 1HB LYS 22 2.195 -12.908 14.632 175 HG2 LYS 22 2HG LYS 22 0.709 -14.795 16.428 176 HG3 LYS 22 1HG LYS 22 0.122 -13.167 16.100 177 HD2 LYS 22 2HD LYS 22 0.262 -13.738 13.647 178 HD3 LYS 22 1HD LYS 22 0.562 -15.407 14.134 179 HE2 LYS 22 2HE LYS 22 -1.857 -13.786 14.918 180 HE3 LYS 22 1HE LYS 22 -1.814 -14.945 13.594 181 HZ1 LYS 22 3HZ LYS 22 -1.092 -15.765 16.341 182 HZ2 LYS 22 1HZ LYS 22 -1.631 -16.724 15.054 183 HZ3 LYS 22 2HZ LYS 22 -2.715 -15.695 15.857 184 H GLN 23 H GLN 23 3.913 -13.672 13.210 185 HA GLN 23 HA GLN 23 3.591 -16.181 11.741 186 HB2 GLN 23 2HB GLN 23 2.436 -15.055 9.910 187 HB3 GLN 23 1HB GLN 23 1.517 -14.871 11.398 188 HG2 GLN 23 2HG GLN 23 2.409 -12.609 11.666 189 HG3 GLN 23 1HG GLN 23 3.322 -12.796 10.169 190 HE21 GLN 23 1HE2 GLN 23 2.306 -11.103 9.144 191 HE22 GLN 23 2HE2 GLN 23 0.656 -11.177 8.629 192 H LYS 24 H LYS 24 4.608 -15.925 9.484 193 HA LYS 24 HA LYS 24 7.049 -14.332 9.773 194 HB2 LYS 24 2HB LYS 24 6.430 -16.718 8.040 195 HB3 LYS 24 1HB LYS 24 7.906 -15.776 7.898 196 HG2 LYS 24 2HG LYS 24 8.338 -16.305 10.323 197 HG3 LYS 24 1HG LYS 24 7.004 -17.458 10.213 198 HD2 LYS 24 2HD LYS 24 9.137 -18.578 9.846 199 HD3 LYS 24 1HD LYS 24 8.157 -18.604 8.377 200 HE2 LYS 24 2HE LYS 24 9.425 -16.688 7.513 201 HE3 LYS 24 1HE LYS 24 10.410 -16.687 8.974 202 HZ1 LYS 24 3HZ LYS 24 11.146 -18.942 8.394 203 HZ2 LYS 24 1HZ LYS 24 11.562 -17.808 7.207 204 HZ3 LYS 24 2HZ LYS 24 10.262 -18.860 6.953 205 H THR 25 H THR 25 6.493 -12.353 9.032 206 HA THR 25 HA THR 25 5.265 -12.096 6.411 207 HB THR 25 HB THR 25 6.404 -9.812 8.009 208 HG1 THR 25 1HG THR 25 5.116 -10.707 9.528 209 HG21 THR 25 3HG2 THR 25 4.570 -8.575 6.973 210 HG22 THR 25 1HG2 THR 25 3.993 -10.052 6.202 211 HG23 THR 25 2HG2 THR 25 5.551 -9.366 5.741 212 H ARG 26 H ARG 26 6.610 -12.619 4.800 213 HA ARG 26 HA ARG 26 9.417 -12.624 5.058 214 HB2 ARG 26 2HB ARG 26 7.700 -12.879 2.592 215 HB3 ARG 26 1HB ARG 26 9.418 -13.247 2.667 216 HG2 ARG 26 2HG ARG 26 8.972 -15.008 4.300 217 HG3 ARG 26 1HG ARG 26 7.251 -14.630 4.233 218 HD2 ARG 26 2HD ARG 26 7.258 -15.178 1.825 219 HD3 ARG 26 1HD ARG 26 8.957 -15.628 1.960 220 HE ARG 26 HE ARG 26 7.965 -17.232 3.784 221 HH11 ARG 26 1HH1 ARG 26 6.633 -16.447 0.640 222 HH12 ARG 26 2HH1 ARG 26 5.800 -17.958 0.461 223 HH21 ARG 26 1HH2 ARG 26 6.902 -19.234 3.549 224 HH22 ARG 26 2HH2 ARG 26 5.981 -19.562 2.109 225 H THR 27 H THR 27 7.566 -10.826 2.589 226 HA THR 27 HA THR 27 9.695 -8.816 2.619 227 HB THR 27 HB THR 27 8.542 -7.990 0.527 228 HG1 THR 27 1HG THR 27 6.529 -9.023 0.819 229 HG21 THR 27 3HG2 THR 27 9.594 -10.824 0.499 230 HG22 THR 27 1HG2 THR 27 10.577 -9.360 0.457 231 HG23 THR 27 2HG2 THR 27 9.506 -9.741 -0.891 232 H VAL 28 H VAL 28 9.308 -6.700 3.045 233 HA VAL 28 HA VAL 28 6.605 -5.864 3.771 234 HB VAL 28 HB VAL 28 7.422 -4.868 5.902 235 HG11 VAL 28 1HG1 VAL 28 6.206 -6.955 5.974 236 HG12 VAL 28 2HG1 VAL 28 7.477 -6.957 7.195 237 HG13 VAL 28 3HG1 VAL 28 7.693 -7.861 5.695 238 HG21 VAL 28 3HG2 VAL 28 9.793 -4.753 5.425 239 HG22 VAL 28 1HG2 VAL 28 9.889 -6.514 5.352 240 HG23 VAL 28 2HG2 VAL 28 9.518 -5.714 6.880 241 H PHE 29 H PHE 29 6.418 -3.549 4.024 242 HA PHE 29 HA PHE 29 8.504 -2.036 2.639 243 HB2 PHE 29 2HB PHE 29 5.617 -1.406 3.283 244 HB3 PHE 29 1HB PHE 29 6.735 -0.230 2.612 245 HD1 PHE 29 2HD PHE 29 4.826 -3.280 1.940 246 HD2 PHE 29 1HD PHE 29 7.426 -0.332 0.324 247 HE1 PHE 29 2HE PHE 29 4.276 -4.049 -0.331 248 HE2 PHE 29 1HE PHE 29 6.884 -1.095 -1.953 249 HZ PHE 29 HZ PHE 29 5.305 -2.962 -2.281 250 H SER 30 H SER 30 8.694 0.292 3.584 251 HA SER 30 HA SER 30 9.521 0.079 6.303 252 HB2 SER 30 2HB SER 30 9.093 2.595 4.670 253 HB3 SER 30 1HB SER 30 10.099 2.425 6.110 254 HG SER 30 HG SER 30 10.505 1.065 3.639 255 H SER 31 H SER 31 8.633 1.268 8.113 256 HA SER 31 HA SER 31 5.939 0.933 8.543 257 HB2 SER 31 2HB SER 31 7.582 3.104 9.854 258 HB3 SER 31 1HB SER 31 6.234 2.198 10.546 259 HG SER 31 HG SER 31 7.496 0.455 10.806 260 H THR 32 H THR 32 7.619 3.899 7.538 261 HA THR 32 HA THR 32 5.427 5.611 7.476 262 HB THR 32 HB THR 32 7.769 5.725 5.574 263 HG1 THR 32 1HG THR 32 7.665 6.881 8.165 264 HG21 THR 32 3HG2 THR 32 6.067 7.881 6.834 265 HG22 THR 32 1HG2 THR 32 5.977 7.348 5.155 266 HG23 THR 32 2HG2 THR 32 7.434 8.148 5.751 267 H GLN 33 H GLN 33 6.682 3.420 4.980 268 HA GLN 33 HA GLN 33 4.953 4.325 2.920 269 HB2 GLN 33 2HB GLN 33 6.127 1.551 3.094 270 HB3 GLN 33 1HB GLN 33 5.702 2.455 1.648 271 HG2 GLN 33 2HG GLN 33 8.000 2.979 3.515 272 HG3 GLN 33 1HG GLN 33 8.083 2.391 1.856 273 HE21 GLN 33 1HE2 GLN 33 7.752 3.843 0.160 274 HE22 GLN 33 2HE2 GLN 33 7.825 5.557 0.392 275 H LEU 34 H LEU 34 4.835 1.629 5.207 276 HA LEU 34 HA LEU 34 2.357 0.571 4.357 277 HB2 LEU 34 2HB LEU 34 3.740 0.433 7.038 278 HB3 LEU 34 1HB LEU 34 2.327 -0.508 6.607 279 HG LEU 34 HG LEU 34 5.008 -0.689 5.228 280 HD11 LEU 34 1HD1 LEU 34 3.677 -2.529 7.210 281 HD12 LEU 34 2HD1 LEU 34 5.120 -1.556 7.494 282 HD13 LEU 34 3HD1 LEU 34 5.164 -2.878 6.327 283 HD21 LEU 34 3HD2 LEU 34 4.046 -2.678 4.166 284 HD22 LEU 34 1HD2 LEU 34 3.146 -1.218 3.750 285 HD23 LEU 34 2HD2 LEU 34 2.501 -2.339 4.946 286 H CYS 35 H CYS 35 3.218 3.041 6.717 287 HA CYS 35 HA CYS 35 0.727 3.452 7.890 288 HB2 CYS 35 2HB CYS 35 2.820 4.472 8.694 289 HB3 CYS 35 1HB CYS 35 2.856 5.510 7.273 290 HG CYS 35 HG CYS 35 2.036 6.794 9.754 291 H VAL 36 H VAL 36 2.124 4.931 4.976 292 HA VAL 36 HA VAL 36 -0.021 6.630 4.363 293 HB VAL 36 HB VAL 36 1.906 5.290 2.451 294 HG11 VAL 36 1HG1 VAL 36 0.170 7.727 2.057 295 HG12 VAL 36 2HG1 VAL 36 -0.075 6.152 1.304 296 HG13 VAL 36 3HG1 VAL 36 1.358 7.105 0.911 297 HG21 VAL 36 3HG2 VAL 36 2.014 7.991 3.791 298 HG22 VAL 36 1HG2 VAL 36 3.150 7.403 2.576 299 HG23 VAL 36 2HG2 VAL 36 3.050 6.611 4.149 300 H LEU 37 H LEU 37 0.630 3.276 3.458 301 HA LEU 37 HA LEU 37 -1.601 2.942 1.760 302 HB2 LEU 37 2HB LEU 37 -0.106 0.893 3.400 303 HB3 LEU 37 1HB LEU 37 -1.247 0.521 2.119 304 HG LEU 37 HG LEU 37 1.361 1.999 1.761 305 HD11 LEU 37 1HD1 LEU 37 1.720 -0.341 2.272 306 HD12 LEU 37 2HD1 LEU 37 2.076 -0.021 0.575 307 HD13 LEU 37 3HD1 LEU 37 0.565 -0.811 1.024 308 HD21 LEU 37 3HD2 LEU 37 -0.675 1.064 -0.260 309 HD22 LEU 37 1HD2 LEU 37 0.911 1.735 -0.637 310 HD23 LEU 37 2HD2 LEU 37 -0.303 2.739 0.157 311 H ASN 38 H ASN 38 -1.132 2.298 5.213 312 HA ASN 38 HA ASN 38 -3.682 1.120 5.637 313 HB2 ASN 38 2HB ASN 38 -1.653 0.858 7.120 314 HB3 ASN 38 1HB ASN 38 -1.932 2.497 7.689 315 HD21 ASN 38 1HD2 ASN 38 -1.887 0.011 9.170 316 HD22 ASN 38 2HD2 ASN 38 -3.429 -0.132 9.936 317 H ASP 39 H ASP 39 -2.409 4.386 6.100 318 HA ASP 39 HA ASP 39 -4.647 5.526 7.325 319 HB2 ASP 39 2HB ASP 39 -2.504 6.666 7.288 320 HB3 ASP 39 1HB ASP 39 -2.557 6.780 5.533 321 H ARG 40 H ARG 40 -3.770 5.352 3.893 322 HA ARG 40 HA ARG 40 -5.959 6.873 2.969 323 HB2 ARG 40 2HB ARG 40 -3.978 5.049 1.677 324 HB3 ARG 40 1HB ARG 40 -5.395 5.542 0.763 325 HG2 ARG 40 2HG ARG 40 -3.352 6.933 0.393 326 HG3 ARG 40 1HG ARG 40 -4.787 7.834 0.881 327 HD2 ARG 40 2HD ARG 40 -3.969 8.057 3.114 328 HD3 ARG 40 1HD ARG 40 -2.639 6.945 2.799 329 HE ARG 40 HE ARG 40 -1.998 8.782 1.086 330 HH11 ARG 40 1HH1 ARG 40 -3.389 9.307 4.266 331 HH12 ARG 40 2HH1 ARG 40 -2.581 10.838 4.484 332 HH21 ARG 40 1HH2 ARG 40 -0.909 10.783 1.426 333 HH22 ARG 40 2HH2 ARG 40 -1.188 11.658 2.897 334 H PHE 41 H PHE 41 -5.466 3.361 3.217 335 HA PHE 41 HA PHE 41 -8.021 2.694 2.149 336 HB2 PHE 41 2HB PHE 41 -5.948 1.143 3.683 337 HB3 PHE 41 1HB PHE 41 -7.508 0.430 3.271 338 HD1 PHE 41 1HD PHE 41 -8.073 1.418 0.654 339 HD2 PHE 41 2HD PHE 41 -4.346 0.196 2.302 340 HE1 PHE 41 1HE PHE 41 -7.265 0.907 -1.585 341 HE2 PHE 41 2HE PHE 41 -3.519 -0.324 0.042 342 HZ PHE 41 HZ PHE 41 -4.982 0.030 -1.914 343 H GLN 42 H GLN 42 -6.931 3.707 5.250 344 HA GLN 42 HA GLN 42 -9.118 2.661 6.767 345 HB2 GLN 42 2HB GLN 42 -6.819 3.446 7.625 346 HB3 GLN 42 1HB GLN 42 -7.478 5.071 7.521 347 HG2 GLN 42 2HG GLN 42 -7.732 4.360 9.757 348 HG3 GLN 42 1HG GLN 42 -9.335 4.321 9.022 349 HE21 GLN 42 1HE2 GLN 42 -6.850 1.937 8.440 350 HE22 GLN 42 2HE2 GLN 42 -7.653 0.627 9.232 351 H ARG 43 H ARG 43 -8.534 5.545 4.899 352 HA ARG 43 HA ARG 43 -10.926 6.857 5.926 353 HB2 ARG 43 2HB ARG 43 -9.061 7.797 3.740 354 HB3 ARG 43 1HB ARG 43 -10.261 8.757 4.594 355 HG2 ARG 43 2HG ARG 43 -8.989 8.416 6.687 356 HG3 ARG 43 1HG ARG 43 -7.751 7.570 5.756 357 HD2 ARG 43 2HD ARG 43 -7.604 9.679 4.340 358 HD3 ARG 43 1HD ARG 43 -8.558 10.463 5.600 359 HE ARG 43 HE ARG 43 -5.939 9.184 6.108 360 HH11 ARG 43 1HH1 ARG 43 -8.192 11.847 6.564 361 HH12 ARG 43 2HH1 ARG 43 -7.151 12.682 7.672 362 HH21 ARG 43 1HH2 ARG 43 -4.603 10.252 7.567 363 HH22 ARG 43 2HH2 ARG 43 -5.099 11.778 8.240 364 H GLN 44 H GLN 44 -9.686 5.499 2.903 365 HA GLN 44 HA GLN 44 -12.467 5.222 1.985 366 HB2 GLN 44 2HB GLN 44 -10.072 6.103 0.359 367 HB3 GLN 44 1HB GLN 44 -11.563 5.523 -0.370 368 HG2 GLN 44 2HG GLN 44 -12.802 7.338 0.674 369 HG3 GLN 44 1HG GLN 44 -11.331 7.906 1.458 370 HE21 GLN 44 1HE2 GLN 44 -11.554 9.914 0.474 371 HE22 GLN 44 2HE2 GLN 44 -11.174 10.158 -1.194 372 H LYS 45 H LYS 45 -12.967 3.288 1.060 373 HA LYS 45 HA LYS 45 -11.458 1.107 2.015 374 HB2 LYS 45 2HB LYS 45 -13.738 1.126 0.031 375 HB3 LYS 45 1HB LYS 45 -13.131 -0.291 0.878 376 HG2 LYS 45 2HG LYS 45 -13.784 0.664 3.006 377 HG3 LYS 45 1HG LYS 45 -14.331 2.135 2.201 378 HD2 LYS 45 2HD LYS 45 -16.010 0.822 0.981 379 HD3 LYS 45 1HD LYS 45 -15.465 -0.633 1.821 380 HE2 LYS 45 2HE LYS 45 -16.057 0.381 3.962 381 HE3 LYS 45 1HE LYS 45 -16.612 1.830 3.127 382 HZ1 LYS 45 3HZ LYS 45 -18.288 0.496 2.006 383 HZ2 LYS 45 1HZ LYS 45 -18.453 0.398 3.692 384 HZ3 LYS 45 2HZ LYS 45 -17.762 -0.892 2.834 385 H TYR 46 H TYR 46 -11.897 2.390 -1.256 386 HA TYR 46 HA TYR 46 -9.441 0.985 -2.001 387 HB2 TYR 46 2HB TYR 46 -12.022 0.937 -3.565 388 HB3 TYR 46 1HB TYR 46 -10.463 0.546 -4.282 389 HD1 TYR 46 2HD TYR 46 -9.106 -1.088 -2.394 390 HD2 TYR 46 1HD TYR 46 -13.272 -0.985 -3.262 391 HE1 TYR 46 2HE TYR 46 -9.321 -3.410 -1.614 392 HE2 TYR 46 1HE TYR 46 -13.494 -3.308 -2.484 393 HH TYR 46 HH TYR 46 -11.091 -4.892 -0.716 394 H LEU 47 H LEU 47 -8.251 1.966 -3.680 395 HA LEU 47 HA LEU 47 -8.464 4.835 -3.590 396 HB2 LEU 47 2HB LEU 47 -6.481 3.058 -5.005 397 HB3 LEU 47 1HB LEU 47 -6.334 4.797 -4.813 398 HG LEU 47 HG LEU 47 -6.341 2.786 -2.562 399 HD11 LEU 47 1HD1 LEU 47 -4.327 2.659 -3.937 400 HD12 LEU 47 2HD1 LEU 47 -3.980 3.323 -2.341 401 HD13 LEU 47 3HD1 LEU 47 -4.079 4.393 -3.739 402 HD21 LEU 47 3HD2 LEU 47 -5.912 5.771 -2.564 403 HD22 LEU 47 1HD2 LEU 47 -5.640 4.707 -1.184 404 HD23 LEU 47 2HD2 LEU 47 -7.266 4.899 -1.844 405 H SER 48 H SER 48 -8.671 6.227 -5.334 406 HA SER 48 HA SER 48 -10.232 5.278 -7.553 407 HB2 SER 48 2HB SER 48 -9.124 8.043 -7.011 408 HB3 SER 48 1HB SER 48 -10.383 7.634 -8.170 409 HG SER 48 HG SER 48 -10.931 6.771 -5.624 410 H LEU 49 H LEU 49 -9.587 6.328 -9.740 411 HA LEU 49 HA LEU 49 -7.166 5.095 -10.578 412 HB2 LEU 49 2HB LEU 49 -9.318 5.577 -11.930 413 HB3 LEU 49 1HB LEU 49 -8.666 7.187 -12.143 414 HG LEU 49 HG LEU 49 -8.296 5.628 -14.065 415 HD11 LEU 49 1HD1 LEU 49 -6.911 7.599 -13.822 416 HD12 LEU 49 2HD1 LEU 49 -5.953 6.251 -14.435 417 HD13 LEU 49 3HD1 LEU 49 -5.822 6.730 -12.742 418 HD21 LEU 49 3HD2 LEU 49 -6.426 4.269 -12.133 419 HD22 LEU 49 1HD2 LEU 49 -6.510 3.958 -13.868 420 HD23 LEU 49 2HD2 LEU 49 -7.890 3.583 -12.836 421 H GLN 50 H GLN 50 -8.159 8.434 -9.996 422 HA GLN 50 HA GLN 50 -5.646 9.589 -10.705 423 HB2 GLN 50 2HB GLN 50 -7.719 10.895 -10.715 424 HB3 GLN 50 1HB GLN 50 -7.886 10.666 -8.982 425 HG2 GLN 50 2HG GLN 50 -5.804 11.925 -8.631 426 HG3 GLN 50 1HG GLN 50 -5.692 12.191 -10.368 427 HE21 GLN 50 1HE2 GLN 50 -7.093 13.625 -11.354 428 HE22 GLN 50 2HE2 GLN 50 -8.057 14.747 -10.456 429 H GLN 51 H GLN 51 -6.927 8.101 -7.857 430 HA GLN 51 HA GLN 51 -5.067 9.249 -6.026 431 HB2 GLN 51 2HB GLN 51 -7.025 6.982 -5.859 432 HB3 GLN 51 1HB GLN 51 -5.895 7.314 -4.556 433 HG2 GLN 51 2HG GLN 51 -6.796 9.538 -4.291 434 HG3 GLN 51 1HG GLN 51 -7.879 9.284 -5.658 435 HE21 GLN 51 1HE2 GLN 51 -9.674 9.691 -4.371 436 HE22 GLN 51 2HE2 GLN 51 -10.252 8.534 -3.214 437 H MET 52 H MET 52 -5.255 6.128 -7.738 438 HA MET 52 HA MET 52 -3.006 5.001 -6.454 439 HB2 MET 52 2HB MET 52 -2.985 3.341 -8.257 440 HB3 MET 52 1HB MET 52 -4.598 3.588 -7.610 441 HG2 MET 52 2HG MET 52 -5.124 5.013 -9.542 442 HG3 MET 52 1HG MET 52 -3.520 4.682 -10.196 443 HE1 MET 52 3HE MET 52 -6.747 1.438 -9.568 444 HE2 MET 52 1HE MET 52 -7.010 3.148 -9.228 445 HE3 MET 52 2HE MET 52 -5.876 2.218 -8.247 446 H GLN 53 H GLN 53 -3.257 6.963 -9.404 447 HA GLN 53 HA GLN 53 -0.478 6.692 -10.020 448 HB2 GLN 53 2HB GLN 53 -0.849 8.564 -11.608 449 HB3 GLN 53 1HB GLN 53 -1.968 7.229 -11.826 450 HG2 GLN 53 2HG GLN 53 -3.733 8.443 -10.788 451 HG3 GLN 53 1HG GLN 53 -2.630 9.728 -10.298 452 HE21 GLN 53 1HE2 GLN 53 -2.395 8.206 -13.424 453 HE22 GLN 53 2HE2 GLN 53 -2.975 9.556 -14.337 454 H GLU 54 H GLU 54 -2.390 8.946 -8.129 455 HA GLU 54 HA GLU 54 -0.288 10.838 -7.769 456 HB2 GLU 54 2HB GLU 54 -2.797 11.214 -7.404 457 HB3 GLU 54 1HB GLU 54 -2.583 10.399 -5.860 458 HG2 GLU 54 2HG GLU 54 -2.512 12.785 -5.551 459 HG3 GLU 54 1HG GLU 54 -0.927 12.090 -5.212 460 H LEU 55 H LEU 55 -1.426 8.006 -6.027 461 HA LEU 55 HA LEU 55 0.128 8.249 -3.725 462 HB2 LEU 55 2HB LEU 55 -1.742 6.621 -4.098 463 HB3 LEU 55 1HB LEU 55 -0.646 5.679 -5.090 464 HG LEU 55 HG LEU 55 0.842 5.404 -3.110 465 HD11 LEU 55 1HD1 LEU 55 -0.000 5.950 -0.902 466 HD12 LEU 55 2HD1 LEU 55 -1.455 6.651 -1.611 467 HD13 LEU 55 3HD1 LEU 55 0.114 7.405 -1.892 468 HD21 LEU 55 3HD2 LEU 55 -0.732 3.653 -3.709 469 HD22 LEU 55 1HD2 LEU 55 -2.001 4.454 -2.777 470 HD23 LEU 55 2HD2 LEU 55 -0.592 3.784 -1.955 471 H SER 56 H SER 56 0.823 6.606 -6.781 472 HA SER 56 HA SER 56 3.381 5.695 -6.100 473 HB2 SER 56 2HB SER 56 3.739 5.839 -8.674 474 HB3 SER 56 1HB SER 56 2.526 4.732 -8.037 475 HG SER 56 HG SER 56 1.936 7.369 -8.918 476 H ASN 57 H ASN 57 2.248 8.770 -7.345 477 HA ASN 57 HA ASN 57 4.746 9.922 -7.965 478 HB2 ASN 57 2HB ASN 57 2.636 10.839 -8.785 479 HB3 ASN 57 1HB ASN 57 2.139 11.218 -7.142 480 HD21 ASN 57 1HD2 ASN 57 1.908 13.376 -7.461 481 HD22 ASN 57 2HD2 ASN 57 3.243 14.439 -7.775 482 H ILE 58 H ILE 58 2.865 9.795 -4.977 483 HA ILE 58 HA ILE 58 4.459 11.666 -3.546 484 HB ILE 58 HB ILE 58 2.693 9.497 -2.403 485 HG12 ILE 58 2HG1 ILE 58 2.037 12.317 -3.275 486 HG13 ILE 58 1HG1 ILE 58 1.424 10.829 -3.979 487 HG21 ILE 58 1HG2 ILE 58 2.538 10.959 -0.454 488 HG22 ILE 58 2HG2 ILE 58 3.612 12.124 -1.231 489 HG23 ILE 58 3HG2 ILE 58 4.218 10.529 -0.786 490 HD11 ILE 58 3HD1 ILE 58 0.229 10.334 -1.916 491 HD12 ILE 58 1HD1 ILE 58 -0.246 11.897 -2.581 492 HD13 ILE 58 2HD1 ILE 58 0.846 11.823 -1.198 493 H LEU 59 H LEU 59 4.399 8.126 -3.725 494 HA LEU 59 HA LEU 59 6.579 7.956 -1.819 495 HB2 LEU 59 2HB LEU 59 4.928 5.859 -3.208 496 HB3 LEU 59 1HB LEU 59 6.324 5.455 -2.229 497 HG LEU 59 HG LEU 59 4.452 5.121 -0.841 498 HD11 LEU 59 1HD1 LEU 59 4.706 6.764 0.933 499 HD12 LEU 59 2HD1 LEU 59 5.561 7.838 -0.173 500 HD13 LEU 59 3HD1 LEU 59 6.268 6.284 0.270 501 HD21 LEU 59 3HD2 LEU 59 3.463 7.836 -1.689 502 HD22 LEU 59 1HD2 LEU 59 2.720 6.815 -0.458 503 HD23 LEU 59 2HD2 LEU 59 2.771 6.278 -2.136 504 H ASN 60 H ASN 60 6.497 8.702 -4.925 505 HA ASN 60 HA ASN 60 7.996 8.762 -6.627 506 HB2 ASN 60 2HB ASN 60 9.515 9.371 -4.675 507 HB3 ASN 60 1HB ASN 60 10.053 7.696 -4.687 508 HD21 ASN 60 1HD2 ASN 60 9.229 9.513 -7.569 509 HD22 ASN 60 2HD2 ASN 60 10.830 9.594 -8.206 510 H LEU 61 H LEU 61 6.430 6.419 -6.224 511 HA LEU 61 HA LEU 61 8.176 4.318 -7.328 512 HB2 LEU 61 2HB LEU 61 5.484 4.102 -5.974 513 HB3 LEU 61 1HB LEU 61 6.339 2.758 -6.706 514 HG LEU 61 HG LEU 61 7.325 4.374 -4.352 515 HD11 LEU 61 1HD1 LEU 61 6.891 2.328 -3.067 516 HD12 LEU 61 2HD1 LEU 61 6.174 1.589 -4.499 517 HD13 LEU 61 3HD1 LEU 61 5.413 2.998 -3.758 518 HD21 LEU 61 3HD2 LEU 61 9.063 2.680 -4.184 519 HD22 LEU 61 1HD2 LEU 61 9.137 3.495 -5.746 520 HD23 LEU 61 2HD2 LEU 61 8.440 1.879 -5.627 521 H SER 62 H SER 62 6.786 2.792 -8.792 522 HA SER 62 HA SER 62 5.871 4.464 -10.948 523 HB2 SER 62 2HB SER 62 7.227 2.648 -11.617 524 HB3 SER 62 1HB SER 62 6.310 1.502 -10.643 525 HG SER 62 HG SER 62 5.854 2.391 -13.193 526 H TYR 63 H TYR 63 3.871 4.594 -11.769 527 HA TYR 63 HA TYR 63 1.586 4.233 -10.241 528 HB2 TYR 63 2HB TYR 63 1.346 5.749 -11.987 529 HB3 TYR 63 1HB TYR 63 2.129 4.689 -13.150 530 HD1 TYR 63 2HD TYR 63 -1.015 5.029 -11.154 531 HD2 TYR 63 1HD TYR 63 0.856 3.463 -14.642 532 HE1 TYR 63 2HE TYR 63 -3.209 4.324 -12.016 533 HE2 TYR 63 1HE TYR 63 -1.329 2.766 -15.511 534 HH TYR 63 HH TYR 63 -4.267 3.803 -14.153 535 H LYS 64 H LYS 64 3.180 2.109 -12.540 536 HA LYS 64 HA LYS 64 1.083 0.179 -12.594 537 HB2 LYS 64 2HB LYS 64 3.884 0.310 -13.605 538 HB3 LYS 64 1HB LYS 64 3.114 -1.265 -13.472 539 HG2 LYS 64 2HG LYS 64 1.357 -0.614 -14.948 540 HG3 LYS 64 1HG LYS 64 1.913 1.060 -14.955 541 HD2 LYS 64 2HD LYS 64 3.853 0.506 -16.188 542 HD3 LYS 64 1HD LYS 64 3.624 -1.221 -15.916 543 HE2 LYS 64 2HE LYS 64 3.014 -0.434 -18.211 544 HE3 LYS 64 1HE LYS 64 1.726 -1.278 -17.352 545 HZ1 LYS 64 3HZ LYS 64 1.098 0.818 -18.575 546 HZ2 LYS 64 1HZ LYS 64 1.934 1.683 -17.383 547 HZ3 LYS 64 2HZ LYS 64 0.594 0.726 -16.960 548 H GLN 65 H GLN 65 3.937 0.692 -10.619 549 HA GLN 65 HA GLN 65 3.872 -1.789 -9.264 550 HB2 GLN 65 2HB GLN 65 4.833 0.922 -8.335 551 HB3 GLN 65 1HB GLN 65 5.064 -0.560 -7.424 552 HG2 GLN 65 2HG GLN 65 6.366 -1.476 -9.302 553 HG3 GLN 65 1HG GLN 65 6.176 0.058 -10.151 554 HE21 GLN 65 1HE2 GLN 65 7.769 -1.607 -7.559 555 HE22 GLN 65 2HE2 GLN 65 8.908 -0.358 -7.180 556 H VAL 66 H VAL 66 2.308 1.336 -8.667 557 HA VAL 66 HA VAL 66 1.036 0.494 -6.242 558 HB VAL 66 HB VAL 66 0.410 2.808 -8.073 559 HG11 VAL 66 1HG1 VAL 66 -1.561 2.211 -6.762 560 HG12 VAL 66 2HG1 VAL 66 -0.868 3.729 -6.193 561 HG13 VAL 66 3HG1 VAL 66 -0.600 2.241 -5.283 562 HG21 VAL 66 3HG2 VAL 66 1.575 4.132 -6.380 563 HG22 VAL 66 1HG2 VAL 66 2.626 2.887 -7.052 564 HG23 VAL 66 2HG2 VAL 66 1.907 2.666 -5.458 565 H LYS 67 H LYS 67 0.001 0.825 -9.587 566 HA LYS 67 HA LYS 67 -2.699 0.219 -9.333 567 HB2 LYS 67 2HB LYS 67 -1.790 1.238 -11.321 568 HB3 LYS 67 1HB LYS 67 -0.760 -0.148 -11.621 569 HG2 LYS 67 2HG LYS 67 -3.712 -0.527 -11.605 570 HG3 LYS 67 1HG LYS 67 -2.947 0.242 -12.997 571 HD2 LYS 67 2HD LYS 67 -1.362 -1.752 -13.026 572 HD3 LYS 67 1HD LYS 67 -2.478 -2.518 -11.895 573 HE2 LYS 67 2HE LYS 67 -3.078 -1.584 -14.696 574 HE3 LYS 67 1HE LYS 67 -3.000 -3.248 -14.121 575 HZ1 LYS 67 3HZ LYS 67 -5.257 -2.749 -14.205 576 HZ2 LYS 67 1HZ LYS 67 -5.051 -1.204 -13.534 577 HZ3 LYS 67 2HZ LYS 67 -4.868 -2.577 -12.565 578 H THR 68 H THR 68 0.056 -1.918 -9.876 579 HA THR 68 HA THR 68 -1.568 -4.244 -10.219 580 HB THR 68 HB THR 68 1.403 -4.077 -9.670 581 HG1 THR 68 1HG THR 68 1.209 -3.093 -11.585 582 HG21 THR 68 3HG2 THR 68 -0.272 -6.290 -10.867 583 HG22 THR 68 1HG2 THR 68 0.488 -6.309 -9.277 584 HG23 THR 68 2HG2 THR 68 1.488 -6.290 -10.732 585 H TRP 69 H TRP 69 0.291 -2.852 -7.533 586 HA TRP 69 HA TRP 69 -0.011 -5.016 -5.757 587 HB2 TRP 69 2HB TRP 69 1.575 -3.117 -5.411 588 HB3 TRP 69 1HB TRP 69 0.199 -2.079 -5.049 589 HD1 TRP 69 HD TRP 69 2.202 -5.007 -3.589 590 HE1 TRP 69 1HE TRP 69 1.704 -5.166 -1.070 591 HE3 TRP 69 3HE TRP 69 -1.509 -1.498 -3.263 592 HZ2 TRP 69 2HZ TRP 69 -0.023 -3.965 0.809 593 HZ3 TRP 69 3HZ TRP 69 -2.528 -1.063 -1.064 594 HH2 TRP 69 HH TRP 69 -1.798 -2.273 0.928 595 H PHE 70 H PHE 70 -1.893 -2.046 -6.167 596 HA PHE 70 HA PHE 70 -3.856 -2.466 -4.258 597 HB2 PHE 70 2HB PHE 70 -3.765 -0.350 -5.300 598 HB3 PHE 70 1HB PHE 70 -3.871 -1.046 -6.913 599 HD1 PHE 70 2HD PHE 70 -5.814 -0.480 -3.798 600 HD2 PHE 70 1HD PHE 70 -5.921 -1.282 -7.979 601 HE1 PHE 70 2HE PHE 70 -8.251 -0.117 -3.809 602 HE2 PHE 70 1HE PHE 70 -8.350 -0.926 -7.995 603 HZ PHE 70 HZ PHE 70 -9.518 -0.347 -5.911 604 H GLN 71 H GLN 71 -3.700 -3.637 -7.588 605 HA GLN 71 HA GLN 71 -6.317 -4.703 -7.665 606 HB2 GLN 71 2HB GLN 71 -4.839 -4.186 -9.635 607 HB3 GLN 71 1HB GLN 71 -3.936 -5.647 -9.258 608 HG2 GLN 71 2HG GLN 71 -5.597 -5.959 -11.048 609 HG3 GLN 71 1HG GLN 71 -5.861 -7.011 -9.659 610 HE21 GLN 71 1HE2 GLN 71 -6.999 -4.190 -11.364 611 HE22 GLN 71 2HE2 GLN 71 -8.579 -4.168 -10.665 612 H ASN 72 H ASN 72 -3.177 -6.180 -6.945 613 HA ASN 72 HA ASN 72 -4.150 -8.814 -6.623 614 HB2 ASN 72 2HB ASN 72 -1.605 -7.423 -5.843 615 HB3 ASN 72 1HB ASN 72 -1.934 -9.055 -5.267 616 HD21 ASN 72 1HD2 ASN 72 -1.292 -7.075 -8.062 617 HD22 ASN 72 2HD2 ASN 72 -0.916 -8.383 -9.130 618 H GLN 73 H GLN 73 -3.602 -6.140 -4.415 619 HA GLN 73 HA GLN 73 -4.078 -7.494 -2.014 620 HB2 GLN 73 2HB GLN 73 -3.137 -5.202 -2.188 621 HB3 GLN 73 1HB GLN 73 -4.725 -4.610 -2.654 622 HG2 GLN 73 2HG GLN 73 -4.275 -4.177 -0.309 623 HG3 GLN 73 1HG GLN 73 -5.625 -5.292 -0.502 624 HE21 GLN 73 1HE2 GLN 73 -5.380 -6.091 1.564 625 HE22 GLN 73 2HE2 GLN 73 -4.085 -7.145 2.005 626 H ARG 74 H ARG 74 -6.342 -5.712 -4.132 627 HA ARG 74 HA ARG 74 -8.577 -6.411 -2.503 628 HB2 ARG 74 2HB ARG 74 -9.984 -5.411 -4.141 629 HB3 ARG 74 1HB ARG 74 -8.556 -4.404 -3.982 630 HG2 ARG 74 2HG ARG 74 -7.749 -5.004 -6.075 631 HG3 ARG 74 1HG ARG 74 -8.746 -6.459 -6.148 632 HD2 ARG 74 2HD ARG 74 -9.765 -3.615 -6.248 633 HD3 ARG 74 1HD ARG 74 -9.606 -4.699 -7.634 634 HE ARG 74 HE ARG 74 -11.165 -6.028 -5.781 635 HH11 ARG 74 1HH1 ARG 74 -11.405 -3.053 -7.632 636 HH12 ARG 74 2HH1 ARG 74 -13.141 -3.113 -7.705 637 HH21 ARG 74 1HH2 ARG 74 -13.445 -6.077 -5.879 638 HH22 ARG 74 2HH2 ARG 74 -14.294 -4.812 -6.718 639 H MET 75 H MET 75 -6.915 -7.989 -5.153 640 HA MET 75 HA MET 75 -9.008 -9.815 -5.771 641 HB2 MET 75 2HB MET 75 -6.028 -9.983 -6.155 642 HB3 MET 75 1HB MET 75 -7.096 -11.312 -6.585 643 HG2 MET 75 2HG MET 75 -8.376 -9.576 -7.968 644 HG3 MET 75 1HG MET 75 -6.941 -8.572 -7.778 645 HE1 MET 75 3HE MET 75 -4.517 -9.286 -8.684 646 HE2 MET 75 1HE MET 75 -4.199 -10.828 -9.481 647 HE3 MET 75 2HE MET 75 -4.642 -10.792 -7.773 648 H LYS 76 H LYS 76 -6.306 -9.968 -3.501 649 HA LYS 76 HA LYS 76 -6.751 -12.525 -2.457 650 HB2 LYS 76 2HB LYS 76 -5.720 -10.016 -1.121 651 HB3 LYS 76 1HB LYS 76 -5.691 -11.601 -0.364 652 HG2 LYS 76 2HG LYS 76 -4.149 -12.427 -1.980 653 HG3 LYS 76 1HG LYS 76 -4.317 -10.966 -2.964 654 HD2 LYS 76 2HD LYS 76 -3.289 -9.632 -1.258 655 HD3 LYS 76 1HD LYS 76 -3.282 -10.989 -0.133 656 HE2 LYS 76 2HE LYS 76 -1.796 -10.995 -2.750 657 HE3 LYS 76 1HE LYS 76 -1.079 -10.465 -1.229 658 HZ1 LYS 76 3HZ LYS 76 -1.393 -12.628 -0.302 659 HZ2 LYS 76 1HZ LYS 76 -0.604 -12.806 -1.791 660 HZ3 LYS 76 2HZ LYS 76 -2.253 -13.161 -1.662 661 H SER 77 H SER 77 -8.302 -9.466 -1.812 662 HA SER 77 HA SER 77 -9.646 -10.280 0.560 663 HB2 SER 77 2HB SER 77 -9.081 -7.912 0.006 664 HB3 SER 77 1HB SER 77 -10.289 -7.960 -1.275 665 HG SER 77 HG SER 77 -11.791 -8.595 0.487 666 H LYS 78 H LYS 78 -10.578 -10.093 -2.861 667 HA LYS 78 HA LYS 78 -13.323 -10.700 -2.246 668 HB2 LYS 78 2HB LYS 78 -13.697 -10.654 -4.661 669 HB3 LYS 78 1HB LYS 78 -12.834 -9.226 -4.113 670 HG2 LYS 78 2HG LYS 78 -10.751 -10.125 -4.966 671 HG3 LYS 78 1HG LYS 78 -11.569 -11.616 -5.439 672 HD2 LYS 78 2HD LYS 78 -13.031 -10.271 -6.931 673 HD3 LYS 78 1HD LYS 78 -12.060 -8.851 -6.539 674 HE2 LYS 78 2HE LYS 78 -10.079 -9.941 -7.461 675 HE3 LYS 78 1HE LYS 78 -11.029 -11.384 -7.814 676 HZ1 LYS 78 3HZ LYS 78 -11.330 -8.696 -9.040 677 HZ2 LYS 78 1HZ LYS 78 -12.430 -9.965 -9.271 678 HZ3 LYS 78 2HZ LYS 78 -10.834 -10.120 -9.807 679 H ARG 79 H ARG 79 -10.631 -12.462 -3.772 680 HA ARG 79 HA ARG 79 -11.992 -14.963 -3.103 681 HB2 ARG 79 2HB ARG 79 -11.236 -14.076 -5.863 682 HB3 ARG 79 1HB ARG 79 -11.202 -15.783 -5.454 683 HG2 ARG 79 2HG ARG 79 -13.611 -13.996 -5.201 684 HG3 ARG 79 1HG ARG 79 -13.289 -15.092 -6.548 685 HD2 ARG 79 2HD ARG 79 -13.146 -16.937 -4.794 686 HD3 ARG 79 1HD ARG 79 -13.863 -15.777 -3.676 687 HE ARG 79 HE ARG 79 -15.580 -15.693 -5.737 688 HH11 ARG 79 1HH1 ARG 79 -14.214 -18.356 -3.907 689 HH12 ARG 79 2HH1 ARG 79 -15.527 -19.439 -4.266 690 HH21 ARG 79 1HH2 ARG 79 -17.339 -17.086 -6.152 691 HH22 ARG 79 2HH2 ARG 79 -17.323 -18.708 -5.516 692 H TRP 80 H TRP 80 -9.209 -14.156 -5.145 693 HA TRP 80 HA TRP 80 -7.246 -14.978 -3.281 694 HB2 TRP 80 2HB TRP 80 -6.530 -17.058 -4.358 695 HB3 TRP 80 1HB TRP 80 -8.172 -17.203 -3.756 696 HD1 TRP 80 HD TRP 80 -9.638 -15.861 -6.343 697 HE1 TRP 80 1HE TRP 80 -9.784 -17.244 -8.513 698 HE3 TRP 80 3HE TRP 80 -5.836 -19.170 -5.451 699 HZ2 TRP 80 2HZ TRP 80 -8.466 -19.440 -9.678 700 HZ3 TRP 80 3HZ TRP 80 -5.353 -20.887 -7.145 701 HH2 TRP 80 HH TRP 80 -6.643 -21.019 -9.215 702 H GLN 81 H GLN 81 -5.090 -15.422 -4.594 703 HA GLN 81 HA GLN 81 -4.836 -13.071 -6.278 704 HB2 GLN 81 2HB GLN 81 -3.237 -13.810 -4.369 705 HB3 GLN 81 1HB GLN 81 -2.593 -14.938 -5.553 706 HG2 GLN 81 2HG GLN 81 -2.112 -13.023 -7.045 707 HG3 GLN 81 1HG GLN 81 -2.646 -11.938 -5.761 708 HE21 GLN 81 1HE2 GLN 81 -0.130 -13.979 -6.909 709 HE22 GLN 81 2HE2 GLN 81 1.029 -13.613 -5.677 710 H LYS 82 H LYS 82 -5.722 -13.593 -8.237 711 HA LYS 82 HA LYS 82 -4.827 -15.994 -9.620 712 HB2 LYS 82 2HB LYS 82 -7.242 -15.166 -9.627 713 HB3 LYS 82 1HB LYS 82 -6.694 -13.869 -10.679 714 HG2 LYS 82 2HG LYS 82 -7.716 -15.756 -11.900 715 HG3 LYS 82 1HG LYS 82 -6.045 -15.448 -12.375 716 HD2 LYS 82 2HD LYS 82 -5.261 -17.366 -11.375 717 HD3 LYS 82 1HD LYS 82 -6.591 -17.434 -10.219 718 HE2 LYS 82 2HE LYS 82 -6.719 -19.227 -11.888 719 HE3 LYS 82 1HE LYS 82 -8.110 -18.152 -11.962 720 HZ1 LYS 82 3HZ LYS 82 -7.212 -17.100 -13.893 721 HZ2 LYS 82 1HZ LYS 82 -7.202 -18.774 -14.151 722 HZ3 LYS 82 2HZ LYS 82 -5.760 -17.966 -13.774 723 H ASN 83 H ASN 83 -2.789 -15.747 -10.300 724 HA ASN 83 HA ASN 83 -1.756 -13.210 -11.175 725 HB2 ASN 83 2HB ASN 83 -0.483 -15.954 -11.298 726 HB3 ASN 83 1HB ASN 83 0.350 -14.418 -11.505 727 HD21 ASN 83 1HD2 ASN 83 -1.201 -16.564 -9.246 728 HD22 ASN 83 2HD2 ASN 83 -0.569 -15.830 -7.815 729 H ASN 84 H ASN 84 -3.016 -16.078 -12.663 730 HA ASN 84 HA ASN 84 -2.859 -14.794 -15.275 731 HB2 ASN 84 2HB ASN 84 -0.835 -16.277 -15.025 732 HB3 ASN 84 1HB ASN 84 -1.932 -17.645 -14.878 733 HD21 ASN 84 1HD2 ASN 84 -0.568 -15.279 -16.988 734 HD22 ASN 84 2HD2 ASN 84 -1.116 -15.987 -18.477 Start of MODEL 5 1 H1 SER 1 H1 SER 1 -11.321 12.121 -3.741 2 H2 SER 1 H2 SER 1 -10.751 13.285 -2.658 3 H3 SER 1 H3 SER 1 -11.297 11.793 -2.075 4 HA SER 1 HA SER 1 -9.509 10.666 -3.219 5 HB2 SER 1 2HB SER 1 -7.670 12.075 -4.174 6 HB3 SER 1 1HB SER 1 -9.186 12.197 -5.067 7 HG SER 1 HG SER 1 -9.286 14.248 -4.584 8 H LYS 2 H LYS 2 -8.482 13.838 -1.986 9 HA LYS 2 HA LYS 2 -7.396 14.503 -0.130 10 HB2 LYS 2 2HB LYS 2 -8.844 12.124 0.912 11 HB3 LYS 2 1HB LYS 2 -7.551 12.787 1.901 12 HG2 LYS 2 2HG LYS 2 -9.743 13.698 2.503 13 HG3 LYS 2 1HG LYS 2 -8.633 14.947 1.941 14 HD2 LYS 2 2HD LYS 2 -9.717 14.695 -0.336 15 HD3 LYS 2 1HD LYS 2 -10.952 13.719 0.463 16 HE2 LYS 2 2HE LYS 2 -11.546 15.570 1.897 17 HE3 LYS 2 1HE LYS 2 -10.234 16.544 1.235 18 HZ1 LYS 2 3HZ LYS 2 -11.354 16.323 -0.966 19 HZ2 LYS 2 1HZ LYS 2 -12.224 17.220 0.181 20 HZ3 LYS 2 2HZ LYS 2 -12.680 15.627 -0.168 21 H GLN 3 H GLN 3 -5.451 14.509 -0.992 22 HA GLN 3 HA GLN 3 -3.780 12.113 -0.864 23 HB2 GLN 3 2HB GLN 3 -2.270 13.530 -2.390 24 HB3 GLN 3 1HB GLN 3 -3.757 12.881 -3.066 25 HG2 GLN 3 2HG GLN 3 -4.847 15.009 -2.849 26 HG3 GLN 3 1HG GLN 3 -3.454 15.680 -2.001 27 HE21 GLN 3 1HE2 GLN 3 -4.690 14.584 -5.060 28 HE22 GLN 3 2HE2 GLN 3 -3.470 15.304 -6.049 29 HA PRO 4 HA PRO 4 -2.361 14.417 2.800 30 HB2 PRO 4 2HB PRO 4 -0.945 12.299 3.823 31 HB3 PRO 4 1HB PRO 4 -2.675 12.546 4.088 32 HG2 PRO 4 2HG PRO 4 -1.295 10.780 2.103 33 HG3 PRO 4 1HG PRO 4 -2.715 10.437 3.109 34 HD2 PRO 4 2HD PRO 4 -2.962 11.083 0.520 35 HD3 PRO 4 1HD PRO 4 -4.140 11.633 1.729 36 H THR 5 H THR 5 -0.760 15.794 2.497 37 HA THR 5 HA THR 5 1.642 15.020 1.073 38 HB THR 5 HB THR 5 0.637 17.214 0.602 39 HG1 THR 5 1HG THR 5 2.589 17.965 0.293 40 HG21 THR 5 3HG2 THR 5 1.306 17.879 3.472 41 HG22 THR 5 1HG2 THR 5 -0.316 17.680 2.807 42 HG23 THR 5 2HG2 THR 5 0.706 19.009 2.258 43 H SER 6 H SER 6 3.711 16.113 2.200 44 HA SER 6 HA SER 6 4.436 14.445 4.282 45 HB2 SER 6 2HB SER 6 5.615 17.137 3.551 46 HB3 SER 6 1HB SER 6 6.407 15.905 4.536 47 HG SER 6 HG SER 6 6.753 14.698 2.808 48 H ALA 7 H ALA 7 3.495 14.342 6.178 49 HA ALA 7 HA ALA 7 3.342 16.749 7.832 50 HB1 ALA 7 1HB ALA 7 1.064 16.237 8.555 51 HB2 ALA 7 2HB ALA 7 1.000 14.884 7.424 52 HB3 ALA 7 3HB ALA 7 1.123 16.538 6.820 53 H GLU 8 H GLU 8 4.458 13.787 7.412 54 HA GLU 8 HA GLU 8 3.835 12.633 9.993 55 HB2 GLU 8 2HB GLU 8 4.941 10.674 9.213 56 HB3 GLU 8 1HB GLU 8 3.996 11.288 7.870 57 HG2 GLU 8 2HG GLU 8 6.965 11.618 8.238 58 HG3 GLU 8 1HG GLU 8 6.178 10.475 7.158 59 H ASN 9 H ASN 9 5.835 11.569 11.088 60 HA ASN 9 HA ASN 9 8.066 13.478 11.212 61 HB2 ASN 9 2HB ASN 9 6.381 13.712 13.135 62 HB3 ASN 9 1HB ASN 9 6.891 12.108 13.647 63 HD21 ASN 9 1HD2 ASN 9 8.645 11.922 14.897 64 HD22 ASN 9 2HD2 ASN 9 9.733 13.223 15.276 65 H SER 10 H SER 10 9.644 12.047 13.031 66 HA SER 10 HA SER 10 10.779 10.097 11.381 67 HB2 SER 10 2HB SER 10 11.950 11.330 13.226 68 HB3 SER 10 1HB SER 10 11.095 10.311 14.384 69 HG SER 10 HG SER 10 12.870 9.417 12.344 70 H VAL 11 H VAL 11 9.659 8.364 10.756 71 HA VAL 11 HA VAL 11 7.769 7.018 12.433 72 HB VAL 11 HB VAL 11 8.948 6.055 9.822 73 HG11 VAL 11 1HG1 VAL 11 6.341 5.375 11.177 74 HG12 VAL 11 2HG1 VAL 11 7.767 4.339 11.109 75 HG13 VAL 11 3HG1 VAL 11 6.905 4.751 9.626 76 HG21 VAL 11 3HG2 VAL 11 7.004 7.072 8.740 77 HG22 VAL 11 1HG2 VAL 11 8.001 8.283 9.544 78 HG23 VAL 11 2HG2 VAL 11 6.493 7.746 10.287 79 H ALA 12 H ALA 12 7.971 5.062 13.443 80 HA ALA 12 HA ALA 12 10.603 4.340 14.274 81 HB1 ALA 12 1HB ALA 12 8.719 4.265 15.819 82 HB2 ALA 12 2HB ALA 12 9.475 2.678 15.669 83 HB3 ALA 12 3HB ALA 12 7.954 3.015 14.840 84 H LYS 13 H LYS 13 10.928 1.779 14.446 85 HA LYS 13 HA LYS 13 11.472 0.954 11.782 86 HB2 LYS 13 2HB LYS 13 12.909 0.384 13.703 87 HB3 LYS 13 1HB LYS 13 11.626 -0.621 14.358 88 HG2 LYS 13 2HG LYS 13 11.857 -2.219 12.664 89 HG3 LYS 13 1HG LYS 13 12.803 -1.127 11.648 90 HD2 LYS 13 2HD LYS 13 14.187 -2.859 12.739 91 HD3 LYS 13 1HD LYS 13 14.653 -1.221 13.198 92 HE2 LYS 13 2HE LYS 13 13.277 -1.496 15.263 93 HE3 LYS 13 1HE LYS 13 13.031 -3.183 14.817 94 HZ1 LYS 13 3HZ LYS 13 15.421 -3.520 14.907 95 HZ2 LYS 13 1HZ LYS 13 14.846 -2.933 16.394 96 HZ3 LYS 13 2HZ LYS 13 15.659 -1.894 15.326 97 H LYS 14 H LYS 14 8.896 0.354 14.029 98 HA LYS 14 HA LYS 14 7.624 -1.414 12.057 99 HB2 LYS 14 2HB LYS 14 7.112 -1.034 15.009 100 HB3 LYS 14 1HB LYS 14 5.964 -1.847 13.957 101 HG2 LYS 14 2HG LYS 14 7.239 -3.532 15.022 102 HG3 LYS 14 1HG LYS 14 7.802 -3.454 13.353 103 HD2 LYS 14 2HD LYS 14 9.692 -2.039 14.109 104 HD3 LYS 14 1HD LYS 14 9.151 -2.255 15.774 105 HE2 LYS 14 2HE LYS 14 9.994 -4.463 13.897 106 HE3 LYS 14 1HE LYS 14 10.988 -3.776 15.179 107 HZ1 LYS 14 3HZ LYS 14 9.277 -4.515 16.781 108 HZ2 LYS 14 1HZ LYS 14 10.007 -5.800 15.946 109 HZ3 LYS 14 2HZ LYS 14 8.459 -5.283 15.514 110 H GLU 15 H GLU 15 5.160 -1.076 11.985 111 HA GLU 15 HA GLU 15 4.734 1.370 10.737 112 HB2 GLU 15 2HB GLU 15 2.545 -0.348 11.902 113 HB3 GLU 15 1HB GLU 15 2.428 0.747 10.535 114 HG2 GLU 15 2HG GLU 15 2.526 -1.277 9.485 115 HG3 GLU 15 1HG GLU 15 4.228 -0.820 9.485 116 H ASP 16 H ASP 16 2.996 0.356 13.674 117 HA ASP 16 HA ASP 16 2.752 3.204 14.387 118 HB2 ASP 16 2HB ASP 16 0.651 1.854 13.827 119 HB3 ASP 16 1HB ASP 16 0.944 0.962 15.315 120 H LYS 17 H LYS 17 2.044 3.072 17.005 121 HA LYS 17 HA LYS 17 4.545 2.191 18.192 122 HB2 LYS 17 2HB LYS 17 3.607 3.406 20.256 123 HB3 LYS 17 1HB LYS 17 4.083 4.378 18.875 124 HG2 LYS 17 2HG LYS 17 1.238 3.527 19.154 125 HG3 LYS 17 1HG LYS 17 1.853 4.857 20.136 126 HD2 LYS 17 2HD LYS 17 2.627 5.966 18.052 127 HD3 LYS 17 1HD LYS 17 1.873 4.670 17.125 128 HE2 LYS 17 2HE LYS 17 0.450 6.559 18.995 129 HE3 LYS 17 1HE LYS 17 0.450 6.660 17.238 130 HZ1 LYS 17 3HZ LYS 17 -1.535 5.600 17.801 131 HZ2 LYS 17 1HZ LYS 17 -0.794 4.593 18.950 132 HZ3 LYS 17 2HZ LYS 17 -0.516 4.337 17.298 133 H VAL 18 H VAL 18 2.449 0.349 17.381 134 HA VAL 18 HA VAL 18 2.414 -1.162 19.904 135 HB VAL 18 HB VAL 18 0.280 -1.464 17.779 136 HG11 VAL 18 1HG1 VAL 18 0.662 -3.427 19.166 137 HG12 VAL 18 2HG1 VAL 18 -0.905 -2.705 19.530 138 HG13 VAL 18 3HG1 VAL 18 0.457 -2.456 20.623 139 HG21 VAL 18 3HG2 VAL 18 -1.256 -0.277 19.258 140 HG22 VAL 18 1HG2 VAL 18 0.080 0.765 18.761 141 HG23 VAL 18 2HG2 VAL 18 0.069 0.056 20.375 142 HA PRO 19 HA PRO 19 4.578 -3.230 16.412 143 HB2 PRO 19 2HB PRO 19 7.020 -3.402 17.786 144 HB3 PRO 19 1HB PRO 19 6.578 -2.195 16.578 145 HG2 PRO 19 2HG PRO 19 7.047 -1.743 19.320 146 HG3 PRO 19 1HG PRO 19 6.350 -0.598 18.164 147 HD2 PRO 19 2HD PRO 19 4.999 -2.333 20.168 148 HD3 PRO 19 1HD PRO 19 4.522 -0.738 19.543 149 H VAL 20 H VAL 20 3.130 -5.007 17.122 150 HA VAL 20 HA VAL 20 4.787 -7.183 18.146 151 HB VAL 20 HB VAL 20 1.881 -7.040 18.925 152 HG11 VAL 20 1HG1 VAL 20 2.936 -9.212 19.091 153 HG12 VAL 20 2HG1 VAL 20 2.585 -8.587 20.704 154 HG13 VAL 20 3HG1 VAL 20 4.232 -8.536 20.077 155 HG21 VAL 20 3HG2 VAL 20 4.169 -6.012 20.599 156 HG22 VAL 20 1HG2 VAL 20 2.491 -6.179 21.118 157 HG23 VAL 20 2HG2 VAL 20 2.911 -5.028 19.849 158 H LYS 21 H LYS 21 3.852 -6.198 15.537 159 HA LYS 21 HA LYS 21 2.178 -8.464 14.701 160 HB2 LYS 21 2HB LYS 21 2.470 -5.733 13.438 161 HB3 LYS 21 1HB LYS 21 1.575 -7.066 12.723 162 HG2 LYS 21 2HG LYS 21 0.102 -7.089 14.712 163 HG3 LYS 21 1HG LYS 21 0.962 -5.670 15.318 164 HD2 LYS 21 2HD LYS 21 0.303 -4.412 13.329 165 HD3 LYS 21 1HD LYS 21 -0.535 -5.833 12.699 166 HE2 LYS 21 2HE LYS 21 -1.204 -4.360 15.249 167 HE3 LYS 21 1HE LYS 21 -2.092 -4.253 13.729 168 HZ1 LYS 21 3HZ LYS 21 -3.149 -5.762 15.293 169 HZ2 LYS 21 1HZ LYS 21 -1.756 -6.718 15.354 170 HZ3 LYS 21 2HZ LYS 21 -2.640 -6.595 13.910 171 H LYS 22 H LYS 22 3.918 -9.872 14.433 172 HA LYS 22 HA LYS 22 5.869 -9.219 12.349 173 HB2 LYS 22 2HB LYS 22 5.670 -11.664 14.123 174 HB3 LYS 22 1HB LYS 22 6.984 -11.301 13.012 175 HG2 LYS 22 2HG LYS 22 7.446 -9.250 14.343 176 HG3 LYS 22 1HG LYS 22 6.243 -9.801 15.509 177 HD2 LYS 22 2HD LYS 22 8.712 -11.342 14.706 178 HD3 LYS 22 1HD LYS 22 8.564 -10.363 16.163 179 HE2 LYS 22 2HE LYS 22 8.144 -12.515 16.930 180 HE3 LYS 22 1HE LYS 22 6.529 -11.852 16.696 181 HZ1 LYS 22 3HZ LYS 22 6.862 -14.159 15.851 182 HZ2 LYS 22 1HZ LYS 22 7.917 -13.539 14.678 183 HZ3 LYS 22 2HZ LYS 22 6.285 -13.078 14.683 184 H GLN 23 H GLN 23 3.237 -9.422 11.506 185 HA GLN 23 HA GLN 23 2.639 -12.092 10.615 186 HB2 GLN 23 2HB GLN 23 1.307 -9.473 9.906 187 HB3 GLN 23 1HB GLN 23 0.660 -11.077 9.599 188 HG2 GLN 23 2HG GLN 23 1.274 -10.079 12.362 189 HG3 GLN 23 1HG GLN 23 -0.280 -9.816 11.578 190 HE21 GLN 23 1HE2 GLN 23 1.578 -12.740 11.113 191 HE22 GLN 23 2HE2 GLN 23 0.516 -13.786 11.987 192 H LYS 24 H LYS 24 4.786 -9.854 9.514 193 HA LYS 24 HA LYS 24 4.195 -10.222 6.692 194 HB2 LYS 24 2HB LYS 24 6.460 -8.647 7.931 195 HB3 LYS 24 1HB LYS 24 5.964 -8.618 6.248 196 HG2 LYS 24 2HG LYS 24 4.945 -6.725 6.926 197 HG3 LYS 24 1HG LYS 24 3.661 -7.861 7.353 198 HD2 LYS 24 2HD LYS 24 4.468 -7.935 9.649 199 HD3 LYS 24 1HD LYS 24 5.802 -6.855 9.234 200 HE2 LYS 24 2HE LYS 24 4.097 -5.151 8.565 201 HE3 LYS 24 1HE LYS 24 2.854 -6.224 9.208 202 HZ1 LYS 24 3HZ LYS 24 5.058 -4.933 10.715 203 HZ2 LYS 24 1HZ LYS 24 4.036 -6.113 11.371 204 HZ3 LYS 24 2HZ LYS 24 3.401 -4.622 10.864 205 H THR 25 H THR 25 4.621 -12.533 6.729 206 HA THR 25 HA THR 25 7.422 -13.292 6.840 207 HB THR 25 HB THR 25 6.478 -15.517 5.966 208 HG1 THR 25 1HG THR 25 4.135 -15.639 6.489 209 HG21 THR 25 3HG2 THR 25 5.664 -16.161 8.175 210 HG22 THR 25 1HG2 THR 25 5.468 -14.463 8.612 211 HG23 THR 25 2HG2 THR 25 7.079 -15.117 8.317 212 H ARG 26 H ARG 26 5.094 -12.190 4.629 213 HA ARG 26 HA ARG 26 6.798 -12.718 2.304 214 HB2 ARG 26 2HB ARG 26 4.496 -13.290 1.949 215 HB3 ARG 26 1HB ARG 26 3.946 -11.766 2.621 216 HG2 ARG 26 2HG ARG 26 3.668 -11.731 0.240 217 HG3 ARG 26 1HG ARG 26 4.939 -10.595 0.687 218 HD2 ARG 26 2HD ARG 26 6.621 -11.930 -0.196 219 HD3 ARG 26 1HD ARG 26 5.636 -13.392 -0.127 220 HE ARG 26 HE ARG 26 4.380 -12.555 -2.020 221 HH11 ARG 26 1HH1 ARG 26 7.392 -10.877 -1.339 222 HH12 ARG 26 2HH1 ARG 26 7.565 -10.287 -2.962 223 HH21 ARG 26 1HH2 ARG 26 4.603 -11.750 -4.135 224 HH22 ARG 26 2HH2 ARG 26 5.971 -10.756 -4.540 225 H THR 27 H THR 27 7.896 -11.075 1.327 226 HA THR 27 HA THR 27 8.509 -8.768 2.727 227 HB THR 27 HB THR 27 9.323 -7.960 0.400 228 HG1 THR 27 1HG THR 27 9.555 -9.745 -1.067 229 HG21 THR 27 3HG2 THR 27 10.786 -8.834 2.153 230 HG22 THR 27 1HG2 THR 27 11.286 -9.418 0.567 231 HG23 THR 27 2HG2 THR 27 10.405 -10.486 1.659 232 H VAL 28 H VAL 28 7.937 -6.672 2.594 233 HA VAL 28 HA VAL 28 5.632 -5.907 0.970 234 HB VAL 28 HB VAL 28 4.602 -4.789 2.977 235 HG11 VAL 28 1HG1 VAL 28 4.805 -7.792 3.112 236 HG12 VAL 28 2HG1 VAL 28 3.700 -6.871 2.092 237 HG13 VAL 28 3HG1 VAL 28 3.544 -6.805 3.848 238 HG21 VAL 28 3HG2 VAL 28 5.225 -5.580 5.205 239 HG22 VAL 28 1HG2 VAL 28 6.576 -4.767 4.418 240 HG23 VAL 28 2HG2 VAL 28 6.537 -6.529 4.508 241 H PHE 29 H PHE 29 5.229 -3.395 2.127 242 HA PHE 29 HA PHE 29 7.574 -1.981 1.204 243 HB2 PHE 29 2HB PHE 29 4.903 -0.973 2.201 244 HB3 PHE 29 1HB PHE 29 6.172 0.035 1.531 245 HD1 PHE 29 2HD PHE 29 6.905 -2.113 -0.648 246 HD2 PHE 29 1HD PHE 29 3.297 -0.241 0.607 247 HE1 PHE 29 2HE PHE 29 5.957 -2.454 -2.893 248 HE2 PHE 29 1HE PHE 29 2.336 -0.583 -1.637 249 HZ PHE 29 HZ PHE 29 3.667 -1.687 -3.390 250 H SER 30 H SER 30 8.071 0.098 2.572 251 HA SER 30 HA SER 30 9.087 -0.802 5.076 252 HB2 SER 30 2HB SER 30 8.943 2.043 4.059 253 HB3 SER 30 1HB SER 30 10.082 1.378 5.231 254 HG SER 30 HG SER 30 11.042 0.187 3.607 255 H SER 31 H SER 31 8.652 0.275 7.142 256 HA SER 31 HA SER 31 6.012 0.064 7.906 257 HB2 SER 31 2HB SER 31 6.768 1.349 9.973 258 HB3 SER 31 1HB SER 31 7.689 -0.100 9.571 259 HG SER 31 HG SER 31 8.785 2.070 10.077 260 H THR 32 H THR 32 7.799 3.013 7.077 261 HA THR 32 HA THR 32 5.857 4.905 7.655 262 HB THR 32 HB THR 32 7.716 5.027 5.276 263 HG1 THR 32 1HG THR 32 9.192 5.977 6.824 264 HG21 THR 32 3HG2 THR 32 6.058 6.830 5.418 265 HG22 THR 32 1HG2 THR 32 7.687 7.436 5.713 266 HG23 THR 32 2HG2 THR 32 6.582 7.186 7.064 267 H GLN 33 H GLN 33 6.401 3.162 4.595 268 HA GLN 33 HA GLN 33 4.283 4.432 3.212 269 HB2 GLN 33 2HB GLN 33 5.866 1.920 2.668 270 HB3 GLN 33 1HB GLN 33 4.641 2.539 1.565 271 HG2 GLN 33 2HG GLN 33 5.929 4.258 0.880 272 HG3 GLN 33 1HG GLN 33 6.703 4.459 2.444 273 HE21 GLN 33 1HE2 GLN 33 6.519 1.419 0.716 274 HE22 GLN 33 2HE2 GLN 33 8.205 1.304 0.356 275 H LEU 34 H LEU 34 4.570 1.366 4.946 276 HA LEU 34 HA LEU 34 2.045 0.318 4.368 277 HB2 LEU 34 2HB LEU 34 3.667 0.080 6.903 278 HB3 LEU 34 1HB LEU 34 2.261 -0.897 6.528 279 HG LEU 34 HG LEU 34 4.849 -0.877 4.970 280 HD11 LEU 34 1HD1 LEU 34 5.148 -3.128 5.879 281 HD12 LEU 34 2HD1 LEU 34 3.686 -2.932 6.846 282 HD13 LEU 34 3HD1 LEU 34 5.092 -1.913 7.156 283 HD21 LEU 34 3HD2 LEU 34 2.385 -2.593 4.658 284 HD22 LEU 34 1HD2 LEU 34 3.900 -2.788 3.777 285 HD23 LEU 34 2HD2 LEU 34 2.924 -1.338 3.542 286 H CYS 35 H CYS 35 3.051 2.555 6.931 287 HA CYS 35 HA CYS 35 0.557 2.673 8.242 288 HB2 CYS 35 2HB CYS 35 2.695 3.392 9.262 289 HB3 CYS 35 1HB CYS 35 2.740 4.767 8.165 290 HG CYS 35 HG CYS 35 -0.066 5.264 9.393 291 H VAL 36 H VAL 36 1.968 4.661 5.666 292 HA VAL 36 HA VAL 36 -0.083 6.603 5.579 293 HB VAL 36 HB VAL 36 1.771 5.692 3.367 294 HG11 VAL 36 1HG1 VAL 36 0.115 8.209 3.575 295 HG12 VAL 36 2HG1 VAL 36 -0.170 6.870 2.464 296 HG13 VAL 36 3HG1 VAL 36 1.289 7.847 2.310 297 HG21 VAL 36 3HG2 VAL 36 1.990 7.991 5.308 298 HG22 VAL 36 1HG2 VAL 36 3.094 7.666 3.970 299 HG23 VAL 36 2HG2 VAL 36 2.973 6.526 5.309 300 H LEU 37 H LEU 37 0.421 3.589 3.798 301 HA LEU 37 HA LEU 37 -1.818 3.771 2.116 302 HB2 LEU 37 2HB LEU 37 -0.410 1.338 3.214 303 HB3 LEU 37 1HB LEU 37 -1.590 1.301 1.917 304 HG LEU 37 HG LEU 37 1.036 2.781 1.793 305 HD11 LEU 37 1HD1 LEU 37 1.761 0.997 0.290 306 HD12 LEU 37 2HD1 LEU 37 0.255 0.129 0.590 307 HD13 LEU 37 3HD1 LEU 37 1.406 0.380 1.903 308 HD21 LEU 37 3HD2 LEU 37 -1.026 2.175 -0.322 309 HD22 LEU 37 1HD2 LEU 37 0.541 2.932 -0.604 310 HD23 LEU 37 2HD2 LEU 37 -0.673 3.757 0.372 311 H ASN 38 H ASN 38 -1.405 2.192 5.273 312 HA ASN 38 HA ASN 38 -3.995 1.086 5.404 313 HB2 ASN 38 2HB ASN 38 -2.260 0.222 6.834 314 HB3 ASN 38 1HB ASN 38 -2.019 1.797 7.580 315 HD21 ASN 38 1HD2 ASN 38 -4.125 -0.968 7.344 316 HD22 ASN 38 2HD2 ASN 38 -5.026 -0.650 8.781 317 H ASP 39 H ASP 39 -2.677 4.163 6.501 318 HA ASP 39 HA ASP 39 -4.913 5.066 7.912 319 HB2 ASP 39 2HB ASP 39 -2.834 6.251 8.128 320 HB3 ASP 39 1HB ASP 39 -2.796 6.603 6.403 321 H ARG 40 H ARG 40 -4.028 5.591 4.499 322 HA ARG 40 HA ARG 40 -6.426 7.077 4.027 323 HB2 ARG 40 2HB ARG 40 -3.993 6.596 2.612 324 HB3 ARG 40 1HB ARG 40 -5.357 6.261 1.550 325 HG2 ARG 40 2HG ARG 40 -4.558 8.610 1.451 326 HG3 ARG 40 1HG ARG 40 -6.258 8.451 1.898 327 HD2 ARG 40 2HD ARG 40 -5.526 8.597 4.301 328 HD3 ARG 40 1HD ARG 40 -3.922 9.020 3.709 329 HE ARG 40 HE ARG 40 -5.569 10.806 2.481 330 HH11 ARG 40 1HH1 ARG 40 -4.991 9.880 5.818 331 HH12 ARG 40 2HH1 ARG 40 -5.378 11.459 6.449 332 HH21 ARG 40 1HH2 ARG 40 -6.064 12.888 3.326 333 HH22 ARG 40 2HH2 ARG 40 -6.008 13.148 5.042 334 H PHE 41 H PHE 41 -5.512 3.717 3.606 335 HA PHE 41 HA PHE 41 -7.846 2.979 2.168 336 HB2 PHE 41 2HB PHE 41 -5.824 1.447 3.769 337 HB3 PHE 41 1HB PHE 41 -7.294 0.656 3.194 338 HD1 PHE 41 1HD PHE 41 -7.737 1.872 0.619 339 HD2 PHE 41 2HD PHE 41 -4.084 0.650 2.431 340 HE1 PHE 41 1HE PHE 41 -6.738 1.600 -1.587 341 HE2 PHE 41 2HE PHE 41 -3.077 0.367 0.204 342 HZ PHE 41 HZ PHE 41 -4.405 0.842 -1.814 343 H GLN 42 H GLN 42 -7.265 3.775 5.453 344 HA GLN 42 HA GLN 42 -9.732 2.620 6.418 345 HB2 GLN 42 2HB GLN 42 -7.494 3.228 7.707 346 HB3 GLN 42 1HB GLN 42 -8.290 4.784 7.890 347 HG2 GLN 42 2HG GLN 42 -9.522 2.170 8.712 348 HG3 GLN 42 1HG GLN 42 -8.590 3.199 9.794 349 HE21 GLN 42 1HE2 GLN 42 -11.403 2.315 9.830 350 HE22 GLN 42 2HE2 GLN 42 -12.339 3.771 9.933 351 H ARG 43 H ARG 43 -8.512 5.904 5.724 352 HA ARG 43 HA ARG 43 -10.947 7.245 6.307 353 HB2 ARG 43 2HB ARG 43 -8.955 8.288 4.310 354 HB3 ARG 43 1HB ARG 43 -9.955 9.190 5.432 355 HG2 ARG 43 2HG ARG 43 -7.564 7.508 6.136 356 HG3 ARG 43 1HG ARG 43 -7.629 9.269 6.082 357 HD2 ARG 43 2HD ARG 43 -9.225 9.290 7.910 358 HD3 ARG 43 1HD ARG 43 -9.261 7.525 7.925 359 HE ARG 43 HE ARG 43 -6.629 8.109 8.258 360 HH11 ARG 43 1HH1 ARG 43 -9.547 9.056 9.960 361 HH12 ARG 43 2HH1 ARG 43 -8.727 9.283 11.473 362 HH21 ARG 43 1HH2 ARG 43 -5.569 8.375 10.205 363 HH22 ARG 43 2HH2 ARG 43 -6.440 8.892 11.627 364 H GLN 44 H GLN 44 -9.409 6.406 3.231 365 HA GLN 44 HA GLN 44 -11.941 6.654 1.793 366 HB2 GLN 44 2HB GLN 44 -9.131 6.776 1.107 367 HB3 GLN 44 1HB GLN 44 -9.934 5.559 0.128 368 HG2 GLN 44 2HG GLN 44 -10.983 8.357 0.399 369 HG3 GLN 44 1HG GLN 44 -9.790 7.906 -0.815 370 HE21 GLN 44 1HE2 GLN 44 -11.101 8.325 -2.531 371 HE22 GLN 44 2HE2 GLN 44 -12.467 7.346 -2.946 372 H LYS 45 H LYS 45 -12.088 4.622 0.111 373 HA LYS 45 HA LYS 45 -11.742 2.236 1.796 374 HB2 LYS 45 2HB LYS 45 -13.768 2.703 -0.399 375 HB3 LYS 45 1HB LYS 45 -13.586 1.210 0.514 376 HG2 LYS 45 2HG LYS 45 -14.503 3.890 1.508 377 HG3 LYS 45 1HG LYS 45 -15.385 2.359 1.508 378 HD2 LYS 45 2HD LYS 45 -13.913 1.452 3.182 379 HD3 LYS 45 1HD LYS 45 -12.861 2.863 3.087 380 HE2 LYS 45 2HE LYS 45 -14.855 4.234 3.814 381 HE3 LYS 45 1HE LYS 45 -15.661 2.708 4.174 382 HZ1 LYS 45 3HZ LYS 45 -13.813 2.175 5.690 383 HZ2 LYS 45 1HZ LYS 45 -14.644 3.580 6.152 384 HZ3 LYS 45 2HZ LYS 45 -13.138 3.701 5.389 385 H TYR 46 H TYR 46 -11.374 3.530 -1.455 386 HA TYR 46 HA TYR 46 -9.196 1.652 -1.867 387 HB2 TYR 46 2HB TYR 46 -11.614 1.839 -3.651 388 HB3 TYR 46 1HB TYR 46 -10.058 1.291 -4.264 389 HD1 TYR 46 2HD TYR 46 -8.946 -0.507 -2.473 390 HD2 TYR 46 1HD TYR 46 -13.090 0.136 -3.214 391 HE1 TYR 46 2HE TYR 46 -9.433 -2.793 -1.704 392 HE2 TYR 46 1HE TYR 46 -13.590 -2.148 -2.444 393 HH TYR 46 HH TYR 46 -11.323 -4.061 -0.787 394 H LEU 47 H LEU 47 -8.190 2.196 -4.138 395 HA LEU 47 HA LEU 47 -7.768 5.089 -4.161 396 HB2 LEU 47 2HB LEU 47 -6.193 2.855 -5.443 397 HB3 LEU 47 1HB LEU 47 -5.764 4.554 -5.492 398 HG LEU 47 HG LEU 47 -5.967 2.954 -2.946 399 HD11 LEU 47 1HD1 LEU 47 -3.522 2.905 -2.975 400 HD12 LEU 47 2HD1 LEU 47 -3.526 3.661 -4.568 401 HD13 LEU 47 3HD1 LEU 47 -4.202 2.046 -4.358 402 HD21 LEU 47 3HD2 LEU 47 -4.797 5.664 -3.559 403 HD22 LEU 47 1HD2 LEU 47 -4.667 4.826 -2.012 404 HD23 LEU 47 2HD2 LEU 47 -6.246 5.333 -2.610 405 H SER 48 H SER 48 -8.256 6.317 -5.895 406 HA SER 48 HA SER 48 -9.690 5.076 -8.083 407 HB2 SER 48 2HB SER 48 -10.206 7.447 -8.710 408 HB3 SER 48 1HB SER 48 -10.760 7.000 -7.097 409 HG SER 48 HG SER 48 -9.741 8.961 -6.928 410 H LEU 49 H LEU 49 -9.251 6.416 -10.226 411 HA LEU 49 HA LEU 49 -6.756 5.545 -11.163 412 HB2 LEU 49 2HB LEU 49 -8.693 5.874 -12.626 413 HB3 LEU 49 1HB LEU 49 -8.612 7.605 -12.355 414 HG LEU 49 HG LEU 49 -6.384 7.644 -13.445 415 HD11 LEU 49 1HD1 LEU 49 -5.662 5.693 -14.732 416 HD12 LEU 49 2HD1 LEU 49 -6.994 4.755 -14.055 417 HD13 LEU 49 3HD1 LEU 49 -5.709 5.348 -13.004 418 HD21 LEU 49 3HD2 LEU 49 -7.203 7.379 -15.709 419 HD22 LEU 49 1HD2 LEU 49 -8.438 8.128 -14.699 420 HD23 LEU 49 2HD2 LEU 49 -8.566 6.422 -15.126 421 H GLN 50 H GLN 50 -7.859 8.690 -10.025 422 HA GLN 50 HA GLN 50 -5.430 10.053 -10.710 423 HB2 GLN 50 2HB GLN 50 -7.856 10.983 -10.168 424 HB3 GLN 50 1HB GLN 50 -7.216 11.049 -8.531 425 HG2 GLN 50 2HG GLN 50 -5.276 12.366 -9.483 426 HG3 GLN 50 1HG GLN 50 -6.214 12.483 -10.971 427 HE21 GLN 50 1HE2 GLN 50 -5.799 13.594 -7.761 428 HE22 GLN 50 2HE2 GLN 50 -7.047 14.803 -7.790 429 H GLN 51 H GLN 51 -6.760 8.591 -7.776 430 HA GLN 51 HA GLN 51 -4.765 9.481 -6.020 431 HB2 GLN 51 2HB GLN 51 -6.663 7.147 -5.894 432 HB3 GLN 51 1HB GLN 51 -5.569 7.557 -4.584 433 HG2 GLN 51 2HG GLN 51 -6.610 9.708 -4.318 434 HG3 GLN 51 1HG GLN 51 -7.637 9.421 -5.721 435 HE21 GLN 51 1HE2 GLN 51 -6.887 6.951 -3.375 436 HE22 GLN 51 2HE2 GLN 51 -8.477 6.831 -2.709 437 H MET 52 H MET 52 -4.978 6.557 -8.019 438 HA MET 52 HA MET 52 -2.752 5.269 -6.803 439 HB2 MET 52 2HB MET 52 -2.818 3.707 -8.662 440 HB3 MET 52 1HB MET 52 -4.435 4.005 -8.046 441 HG2 MET 52 2HG MET 52 -4.875 5.514 -9.901 442 HG3 MET 52 1HG MET 52 -3.247 5.237 -10.515 443 HE1 MET 52 3HE MET 52 -6.721 3.619 -9.732 444 HE2 MET 52 1HE MET 52 -5.621 2.535 -8.882 445 HE3 MET 52 2HE MET 52 -6.497 1.966 -10.304 446 H GLN 53 H GLN 53 -3.011 7.438 -9.596 447 HA GLN 53 HA GLN 53 -0.282 6.987 -10.360 448 HB2 GLN 53 2HB GLN 53 -0.595 8.885 -11.911 449 HB3 GLN 53 1HB GLN 53 -1.840 7.659 -12.078 450 HG2 GLN 53 2HG GLN 53 -3.408 9.027 -10.881 451 HG3 GLN 53 1HG GLN 53 -2.160 10.226 -10.549 452 HE21 GLN 53 1HE2 GLN 53 -2.449 8.563 -13.616 453 HE22 GLN 53 2HE2 GLN 53 -2.934 9.951 -14.527 454 H GLU 54 H GLU 54 -1.995 9.450 -8.484 455 HA GLU 54 HA GLU 54 0.315 11.076 -8.131 456 HB2 GLU 54 2HB GLU 54 -2.269 10.985 -6.570 457 HB3 GLU 54 1HB GLU 54 -1.024 12.213 -6.373 458 HG2 GLU 54 2HG GLU 54 -1.315 12.769 -8.796 459 HG3 GLU 54 1HG GLU 54 -2.704 11.683 -8.810 460 H LEU 55 H LEU 55 -1.197 8.500 -6.220 461 HA LEU 55 HA LEU 55 0.455 8.710 -3.964 462 HB2 LEU 55 2HB LEU 55 -1.600 7.326 -4.095 463 HB3 LEU 55 1HB LEU 55 -0.742 6.199 -5.127 464 HG LEU 55 HG LEU 55 0.848 5.762 -3.266 465 HD11 LEU 55 1HD1 LEU 55 -1.071 7.475 -1.694 466 HD12 LEU 55 2HD1 LEU 55 0.615 7.850 -2.054 467 HD13 LEU 55 3HD1 LEU 55 0.218 6.487 -1.006 468 HD21 LEU 55 3HD2 LEU 55 -2.067 5.304 -2.665 469 HD22 LEU 55 1HD2 LEU 55 -0.721 4.456 -1.905 470 HD23 LEU 55 2HD2 LEU 55 -1.018 4.268 -3.633 471 H SER 56 H SER 56 0.846 6.939 -6.975 472 HA SER 56 HA SER 56 3.257 5.688 -6.556 473 HB2 SER 56 2HB SER 56 2.112 5.276 -8.600 474 HB3 SER 56 1HB SER 56 2.074 6.988 -9.010 475 HG SER 56 HG SER 56 4.573 5.758 -8.687 476 H ASN 57 H ASN 57 2.714 9.031 -7.631 477 HA ASN 57 HA ASN 57 5.418 9.762 -7.823 478 HB2 ASN 57 2HB ASN 57 3.666 11.138 -8.798 479 HB3 ASN 57 1HB ASN 57 2.989 11.460 -7.207 480 HD21 ASN 57 1HD2 ASN 57 5.561 12.176 -9.426 481 HD22 ASN 57 2HD2 ASN 57 6.185 13.548 -8.573 482 H ILE 58 H ILE 58 3.184 9.759 -5.088 483 HA ILE 58 HA ILE 58 4.867 11.302 -3.385 484 HB ILE 58 HB ILE 58 2.608 9.470 -2.563 485 HG12 ILE 58 2HG1 ILE 58 2.595 12.369 -3.422 486 HG13 ILE 58 1HG1 ILE 58 1.797 11.026 -4.222 487 HG21 ILE 58 1HG2 ILE 58 3.867 11.845 -1.190 488 HG22 ILE 58 2HG2 ILE 58 4.028 10.156 -0.711 489 HG23 ILE 58 3HG2 ILE 58 2.460 10.956 -0.608 490 HD11 ILE 58 3HD1 ILE 58 0.212 12.394 -2.991 491 HD12 ILE 58 1HD1 ILE 58 1.102 12.096 -1.497 492 HD13 ILE 58 2HD1 ILE 58 0.298 10.763 -2.327 493 H LEU 59 H LEU 59 4.156 7.818 -3.638 494 HA LEU 59 HA LEU 59 5.895 7.211 -1.433 495 HB2 LEU 59 2HB LEU 59 4.493 5.414 -3.401 496 HB3 LEU 59 1HB LEU 59 5.428 4.835 -2.037 497 HG LEU 59 HG LEU 59 2.924 6.509 -1.867 498 HD11 LEU 59 1HD1 LEU 59 3.423 3.614 -1.211 499 HD12 LEU 59 2HD1 LEU 59 2.496 4.221 -2.582 500 HD13 LEU 59 3HD1 LEU 59 1.917 4.492 -0.938 501 HD21 LEU 59 3HD2 LEU 59 4.491 6.984 -0.042 502 HD22 LEU 59 1HD2 LEU 59 4.564 5.263 0.327 503 HD23 LEU 59 2HD2 LEU 59 3.050 6.140 0.526 504 H ASN 60 H ASN 60 6.563 8.101 -4.466 505 HA ASN 60 HA ASN 60 8.414 8.058 -5.780 506 HB2 ASN 60 2HB ASN 60 9.490 8.364 -3.482 507 HB3 ASN 60 1HB ASN 60 9.828 6.638 -3.511 508 HD21 ASN 60 1HD2 ASN 60 11.530 5.899 -4.677 509 HD22 ASN 60 2HD2 ASN 60 12.610 6.920 -5.568 510 H LEU 61 H LEU 61 6.494 5.830 -5.674 511 HA LEU 61 HA LEU 61 8.186 3.612 -6.630 512 HB2 LEU 61 2HB LEU 61 5.324 3.576 -5.658 513 HB3 LEU 61 1HB LEU 61 6.200 2.185 -6.266 514 HG LEU 61 HG LEU 61 6.905 3.746 -3.777 515 HD11 LEU 61 1HD1 LEU 61 5.713 0.995 -4.087 516 HD12 LEU 61 2HD1 LEU 61 4.846 2.435 -3.554 517 HD13 LEU 61 3HD1 LEU 61 6.155 1.780 -2.570 518 HD21 LEU 61 3HD2 LEU 61 8.866 2.788 -4.893 519 HD22 LEU 61 1HD2 LEU 61 8.086 1.205 -4.899 520 HD23 LEU 61 2HD2 LEU 61 8.518 1.970 -3.369 521 H SER 62 H SER 62 6.946 2.261 -8.325 522 HA SER 62 HA SER 62 6.391 4.045 -10.516 523 HB2 SER 62 2HB SER 62 7.739 2.134 -11.007 524 HB3 SER 62 1HB SER 62 6.568 1.040 -10.276 525 HG SER 62 HG SER 62 6.603 1.219 -12.668 526 H TYR 63 H TYR 63 4.503 4.163 -11.693 527 HA TYR 63 HA TYR 63 2.040 3.975 -10.358 528 HB2 TYR 63 2HB TYR 63 2.257 5.508 -12.189 529 HB3 TYR 63 1HB TYR 63 2.772 4.232 -13.285 530 HD1 TYR 63 2HD TYR 63 -0.140 5.510 -11.370 531 HD2 TYR 63 1HD TYR 63 1.199 3.027 -14.560 532 HE1 TYR 63 2HE TYR 63 -2.464 5.215 -12.119 533 HE2 TYR 63 1HE TYR 63 -1.118 2.731 -15.313 534 HH TYR 63 HH TYR 63 -3.633 4.659 -14.299 535 H LYS 64 H LYS 64 3.807 1.779 -12.431 536 HA LYS 64 HA LYS 64 1.710 -0.075 -12.859 537 HB2 LYS 64 2HB LYS 64 4.705 -0.489 -12.904 538 HB3 LYS 64 1HB LYS 64 3.508 -1.587 -13.562 539 HG2 LYS 64 2HG LYS 64 4.021 1.217 -14.518 540 HG3 LYS 64 1HG LYS 64 4.570 -0.262 -15.308 541 HD2 LYS 64 2HD LYS 64 2.232 -0.948 -15.620 542 HD3 LYS 64 1HD LYS 64 1.698 0.550 -14.855 543 HE2 LYS 64 2HE LYS 64 1.587 0.721 -17.288 544 HE3 LYS 64 1HE LYS 64 2.777 1.843 -16.627 545 HZ1 LYS 64 3HZ LYS 64 3.383 -0.796 -17.856 546 HZ2 LYS 64 1HZ LYS 64 4.528 0.283 -17.223 547 HZ3 LYS 64 2HZ LYS 64 3.622 0.712 -18.591 548 H GLN 65 H GLN 65 4.186 0.342 -10.415 549 HA GLN 65 HA GLN 65 3.727 -2.105 -9.059 550 HB2 GLN 65 2HB GLN 65 4.916 0.508 -8.115 551 HB3 GLN 65 1HB GLN 65 4.885 -0.957 -7.148 552 HG2 GLN 65 2HG GLN 65 6.247 -2.094 -8.823 553 HG3 GLN 65 1HG GLN 65 6.268 -0.624 -9.797 554 HE21 GLN 65 1HE2 GLN 65 7.419 -2.158 -6.888 555 HE22 GLN 65 2HE2 GLN 65 8.671 -1.006 -6.550 556 H VAL 66 H VAL 66 2.483 1.195 -8.661 557 HA VAL 66 HA VAL 66 0.951 0.573 -6.334 558 HB VAL 66 HB VAL 66 0.628 2.896 -8.255 559 HG11 VAL 66 1HG1 VAL 66 -1.392 2.522 -6.934 560 HG12 VAL 66 2HG1 VAL 66 -0.561 3.990 -6.419 561 HG13 VAL 66 3HG1 VAL 66 -0.431 2.519 -5.455 562 HG21 VAL 66 3HG2 VAL 66 2.837 2.826 -7.235 563 HG22 VAL 66 1HG2 VAL 66 2.107 2.681 -5.636 564 HG23 VAL 66 2HG2 VAL 66 1.886 4.156 -6.576 565 H LYS 67 H LYS 67 0.207 0.776 -9.778 566 HA LYS 67 HA LYS 67 -2.579 0.452 -9.597 567 HB2 LYS 67 2HB LYS 67 -1.295 1.274 -11.580 568 HB3 LYS 67 1HB LYS 67 -0.772 -0.378 -11.866 569 HG2 LYS 67 2HG LYS 67 -3.128 -1.036 -12.163 570 HG3 LYS 67 1HG LYS 67 -3.596 0.656 -11.967 571 HD2 LYS 67 2HD LYS 67 -2.036 1.180 -13.882 572 HD3 LYS 67 1HD LYS 67 -1.911 -0.560 -14.147 573 HE2 LYS 67 2HE LYS 67 -3.575 0.401 -15.625 574 HE3 LYS 67 1HE LYS 67 -4.347 -0.667 -14.453 575 HZ1 LYS 67 3HZ LYS 67 -5.109 1.183 -13.212 576 HZ2 LYS 67 1HZ LYS 67 -5.506 1.488 -14.832 577 HZ3 LYS 67 2HZ LYS 67 -4.183 2.279 -14.118 578 H THR 68 H THR 68 -0.021 -1.908 -10.231 579 HA THR 68 HA THR 68 -1.747 -4.120 -10.521 580 HB THR 68 HB THR 68 1.187 -4.147 -9.770 581 HG1 THR 68 1HG THR 68 1.227 -3.200 -11.700 582 HG21 THR 68 3HG2 THR 68 1.195 -6.375 -10.795 583 HG22 THR 68 1HG2 THR 68 -0.540 -6.250 -11.091 584 HG23 THR 68 2HG2 THR 68 0.069 -6.312 -9.438 585 H TRP 69 H TRP 69 -0.079 -2.735 -7.743 586 HA TRP 69 HA TRP 69 -0.535 -4.858 -5.938 587 HB2 TRP 69 2HB TRP 69 1.079 -2.971 -5.593 588 HB3 TRP 69 1HB TRP 69 -0.293 -1.911 -5.293 589 HD1 TRP 69 HD TRP 69 1.132 -5.209 -3.807 590 HE1 TRP 69 1HE TRP 69 0.779 -5.143 -1.256 591 HE3 TRP 69 3HE TRP 69 -1.342 -0.749 -3.458 592 HZ2 TRP 69 2HZ TRP 69 -0.399 -3.423 0.641 593 HZ3 TRP 69 3HZ TRP 69 -2.048 0.034 -1.235 594 HH2 TRP 69 HH TRP 69 -1.586 -1.275 0.770 595 H PHE 70 H PHE 70 -2.301 -1.848 -6.553 596 HA PHE 70 HA PHE 70 -4.408 -2.249 -4.761 597 HB2 PHE 70 2HB PHE 70 -4.124 -0.092 -5.695 598 HB3 PHE 70 1HB PHE 70 -4.177 -0.706 -7.343 599 HD1 PHE 70 1HD PHE 70 -6.259 -0.247 -4.304 600 HD2 PHE 70 2HD PHE 70 -6.173 -0.724 -8.532 601 HE1 PHE 70 1HE PHE 70 -8.673 0.228 -4.406 602 HE2 PHE 70 2HE PHE 70 -8.581 -0.243 -8.642 603 HZ PHE 70 HZ PHE 70 -9.836 0.228 -6.577 604 H GLN 71 H GLN 71 -4.027 -3.298 -8.125 605 HA GLN 71 HA GLN 71 -6.678 -4.235 -8.440 606 HB2 GLN 71 2HB GLN 71 -5.073 -3.748 -10.306 607 HB3 GLN 71 1HB GLN 71 -4.215 -5.225 -9.887 608 HG2 GLN 71 2HG GLN 71 -5.712 -5.574 -11.769 609 HG3 GLN 71 1HG GLN 71 -6.199 -6.540 -10.375 610 HE21 GLN 71 1HE2 GLN 71 -8.085 -5.994 -9.256 611 HE22 GLN 71 2HE2 GLN 71 -9.287 -4.942 -9.935 612 H ASN 72 H ASN 72 -3.821 -5.641 -7.060 613 HA ASN 72 HA ASN 72 -4.799 -8.344 -7.099 614 HB2 ASN 72 2HB ASN 72 -2.316 -6.995 -6.159 615 HB3 ASN 72 1HB ASN 72 -2.733 -8.542 -5.426 616 HD21 ASN 72 1HD2 ASN 72 -1.863 -6.909 -8.378 617 HD22 ASN 72 2HD2 ASN 72 -1.433 -8.336 -9.262 618 H GLN 73 H GLN 73 -4.325 -5.815 -4.651 619 HA GLN 73 HA GLN 73 -5.223 -7.333 -2.456 620 HB2 GLN 73 2HB GLN 73 -5.420 -5.273 -1.265 621 HB3 GLN 73 1HB GLN 73 -4.038 -5.104 -2.336 622 HG2 GLN 73 2HG GLN 73 -5.398 -3.825 -3.898 623 HG3 GLN 73 1HG GLN 73 -6.797 -4.008 -2.841 624 HE21 GLN 73 1HE2 GLN 73 -6.842 -2.888 -0.880 625 HE22 GLN 73 2HE2 GLN 73 -5.819 -1.529 -0.590 626 H ARG 74 H ARG 74 -6.883 -5.582 -4.969 627 HA ARG 74 HA ARG 74 -9.459 -5.652 -3.774 628 HB2 ARG 74 2HB ARG 74 -8.653 -4.131 -5.657 629 HB3 ARG 74 1HB ARG 74 -8.860 -5.504 -6.732 630 HG2 ARG 74 2HG ARG 74 -11.088 -4.387 -5.049 631 HG3 ARG 74 1HG ARG 74 -10.738 -3.831 -6.684 632 HD2 ARG 74 2HD ARG 74 -11.136 -6.053 -7.558 633 HD3 ARG 74 1HD ARG 74 -11.380 -6.679 -5.927 634 HE ARG 74 HE ARG 74 -13.202 -4.890 -7.388 635 HH11 ARG 74 1HH1 ARG 74 -12.539 -7.014 -4.688 636 HH12 ARG 74 2HH1 ARG 74 -14.200 -7.127 -4.205 637 HH21 ARG 74 1HH2 ARG 74 -15.384 -5.035 -6.781 638 HH22 ARG 74 2HH2 ARG 74 -15.830 -5.991 -5.398 639 H MET 75 H MET 75 -7.716 -7.771 -6.032 640 HA MET 75 HA MET 75 -10.090 -9.333 -6.504 641 HB2 MET 75 2HB MET 75 -8.681 -10.751 -7.936 642 HB3 MET 75 1HB MET 75 -8.572 -9.047 -8.345 643 HG2 MET 75 2HG MET 75 -6.417 -8.879 -7.304 644 HG3 MET 75 1HG MET 75 -6.545 -10.527 -6.693 645 HE1 MET 75 3HE MET 75 -6.170 -9.502 -11.183 646 HE2 MET 75 1HE MET 75 -6.147 -8.282 -9.908 647 HE3 MET 75 2HE MET 75 -7.621 -9.194 -10.230 648 H LYS 76 H LYS 76 -6.940 -10.162 -4.952 649 HA LYS 76 HA LYS 76 -8.049 -12.809 -4.479 650 HB2 LYS 76 2HB LYS 76 -5.738 -13.424 -3.794 651 HB3 LYS 76 1HB LYS 76 -5.881 -12.823 -5.438 652 HG2 LYS 76 2HG LYS 76 -5.069 -10.618 -4.652 653 HG3 LYS 76 1HG LYS 76 -4.822 -11.321 -3.051 654 HD2 LYS 76 2HD LYS 76 -2.736 -11.306 -4.314 655 HD3 LYS 76 1HD LYS 76 -3.272 -12.962 -4.021 656 HE2 LYS 76 2HE LYS 76 -4.267 -12.979 -6.299 657 HE3 LYS 76 1HE LYS 76 -3.573 -11.385 -6.576 658 HZ1 LYS 76 3HZ LYS 76 -2.043 -13.862 -5.993 659 HZ2 LYS 76 1HZ LYS 76 -1.367 -12.330 -6.260 660 HZ3 LYS 76 2HZ LYS 76 -2.194 -13.125 -7.511 661 H SER 77 H SER 77 -7.586 -9.972 -2.631 662 HA SER 77 HA SER 77 -7.004 -11.172 -0.135 663 HB2 SER 77 2HB SER 77 -6.613 -8.775 -0.630 664 HB3 SER 77 1HB SER 77 -8.355 -8.511 -0.636 665 HG SER 77 HG SER 77 -8.013 -9.663 1.598 666 H LYS 78 H LYS 78 -9.839 -11.225 -1.965 667 HA LYS 78 HA LYS 78 -11.783 -11.214 0.085 668 HB2 LYS 78 2HB LYS 78 -11.761 -12.432 -2.667 669 HB3 LYS 78 1HB LYS 78 -13.143 -12.569 -1.592 670 HG2 LYS 78 2HG LYS 78 -13.226 -10.073 -1.507 671 HG3 LYS 78 1HG LYS 78 -11.978 -10.051 -2.757 672 HD2 LYS 78 2HD LYS 78 -14.192 -9.817 -3.752 673 HD3 LYS 78 1HD LYS 78 -13.453 -11.343 -4.241 674 HE2 LYS 78 2HE LYS 78 -14.721 -12.382 -2.287 675 HE3 LYS 78 1HE LYS 78 -15.642 -10.881 -2.235 676 HZ1 LYS 78 3HZ LYS 78 -16.734 -12.617 -3.543 677 HZ2 LYS 78 1HZ LYS 78 -15.416 -12.652 -4.603 678 HZ3 LYS 78 2HZ LYS 78 -16.371 -11.255 -4.487 679 H ARG 79 H ARG 79 -9.631 -13.697 -1.126 680 HA ARG 79 HA ARG 79 -11.106 -15.835 0.139 681 HB2 ARG 79 2HB ARG 79 -8.508 -15.728 -1.368 682 HB3 ARG 79 1HB ARG 79 -9.027 -17.183 -0.528 683 HG2 ARG 79 2HG ARG 79 -11.101 -17.167 -1.873 684 HG3 ARG 79 1HG ARG 79 -10.466 -15.783 -2.767 685 HD2 ARG 79 2HD ARG 79 -8.581 -17.098 -3.526 686 HD3 ARG 79 1HD ARG 79 -9.115 -18.469 -2.556 687 HE ARG 79 HE ARG 79 -11.226 -18.237 -4.062 688 HH11 ARG 79 1HH1 ARG 79 -7.874 -17.851 -5.003 689 HH12 ARG 79 2HH1 ARG 79 -8.148 -18.292 -6.663 690 HH21 ARG 79 1HH2 ARG 79 -11.593 -18.874 -6.238 691 HH22 ARG 79 2HH2 ARG 79 -10.261 -18.894 -7.354 692 H TRP 80 H TRP 80 -8.441 -13.769 0.931 693 HA TRP 80 HA TRP 80 -7.776 -15.460 3.229 694 HB2 TRP 80 2HB TRP 80 -6.229 -13.201 1.942 695 HB3 TRP 80 1HB TRP 80 -5.715 -14.059 3.393 696 HD1 TRP 80 HD TRP 80 -6.652 -14.957 -0.260 697 HE1 TRP 80 1HE TRP 80 -5.121 -16.883 -1.030 698 HE3 TRP 80 3HE TRP 80 -4.072 -15.714 4.086 699 HZ2 TRP 80 2HZ TRP 80 -3.083 -18.498 0.066 700 HZ3 TRP 80 3HZ TRP 80 -2.349 -17.472 4.140 701 HH2 TRP 80 HH TRP 80 -1.869 -18.834 2.174 702 H GLN 81 H GLN 81 -9.242 -14.972 4.719 703 HA GLN 81 HA GLN 81 -9.740 -12.148 5.348 704 HB2 GLN 81 2HB GLN 81 -11.240 -14.653 6.112 705 HB3 GLN 81 1HB GLN 81 -11.643 -13.047 6.702 706 HG2 GLN 81 2HG GLN 81 -11.648 -13.913 3.821 707 HG3 GLN 81 1HG GLN 81 -13.070 -13.713 4.843 708 HE21 GLN 81 1HE2 GLN 81 -10.557 -12.102 3.069 709 HE22 GLN 81 2HE2 GLN 81 -11.247 -10.521 3.127 710 H LYS 82 H LYS 82 -7.355 -13.810 6.105 711 HA LYS 82 HA LYS 82 -7.527 -13.812 9.008 712 HB2 LYS 82 2HB LYS 82 -5.512 -14.772 7.018 713 HB3 LYS 82 1HB LYS 82 -4.961 -14.383 8.640 714 HG2 LYS 82 2HG LYS 82 -5.445 -16.760 8.389 715 HG3 LYS 82 1HG LYS 82 -6.503 -16.003 9.580 716 HD2 LYS 82 2HD LYS 82 -8.287 -15.882 7.908 717 HD3 LYS 82 1HD LYS 82 -7.227 -16.645 6.722 718 HE2 LYS 82 2HE LYS 82 -7.115 -18.657 8.060 719 HE3 LYS 82 1HE LYS 82 -8.058 -17.894 9.340 720 HZ1 LYS 82 3HZ LYS 82 -9.049 -18.405 6.586 721 HZ2 LYS 82 1HZ LYS 82 -9.950 -17.791 7.881 722 HZ3 LYS 82 2HZ LYS 82 -9.380 -19.388 7.924 723 H ASN 83 H ASN 83 -7.626 -11.773 9.740 724 HA ASN 83 HA ASN 83 -5.407 -9.976 9.035 725 HB2 ASN 83 2HB ASN 83 -7.278 -9.239 7.684 726 HB3 ASN 83 1HB ASN 83 -8.347 -9.254 9.081 727 HD21 ASN 83 1HD2 ASN 83 -5.775 -7.588 7.452 728 HD22 ASN 83 2HD2 ASN 83 -5.900 -6.108 8.343 729 H ASN 84 H ASN 84 -4.369 -9.434 10.827 730 HA ASN 84 HA ASN 84 -5.898 -8.953 13.279 731 HB2 ASN 84 2HB ASN 84 -5.036 -11.245 13.428 732 HB3 ASN 84 1HB ASN 84 -3.407 -10.666 13.099 733 HD21 ASN 84 1HD2 ASN 84 -2.297 -9.532 14.696 734 HD22 ASN 84 2HD2 ASN 84 -2.794 -9.554 16.351 Start of MODEL 6 1 H1 SER 1 H1 SER 1 -5.928 12.822 -8.341 2 H2 SER 1 H2 SER 1 -5.620 13.205 -6.715 3 H3 SER 1 H3 SER 1 -6.289 14.372 -7.745 4 HA SER 1 HA SER 1 -8.256 12.950 -8.024 5 HB2 SER 1 2HB SER 1 -7.083 10.838 -7.357 6 HB3 SER 1 1HB SER 1 -7.042 11.427 -5.696 7 HG SER 1 HG SER 1 -9.537 11.472 -6.900 8 H LYS 2 H LYS 2 -6.545 13.640 -4.976 9 HA LYS 2 HA LYS 2 -8.550 15.691 -4.411 10 HB2 LYS 2 2HB LYS 2 -8.722 14.961 -2.041 11 HB3 LYS 2 1HB LYS 2 -9.415 13.815 -3.179 12 HG2 LYS 2 2HG LYS 2 -7.518 12.364 -2.969 13 HG3 LYS 2 1HG LYS 2 -6.659 13.555 -1.992 14 HD2 LYS 2 2HD LYS 2 -7.545 11.844 -0.544 15 HD3 LYS 2 1HD LYS 2 -8.423 13.343 -0.260 16 HE2 LYS 2 2HE LYS 2 -9.452 11.234 -2.134 17 HE3 LYS 2 1HE LYS 2 -9.771 11.172 -0.403 18 HZ1 LYS 2 3HZ LYS 2 -10.595 13.307 -2.299 19 HZ2 LYS 2 1HZ LYS 2 -10.767 13.421 -0.616 20 HZ3 LYS 2 2HZ LYS 2 -11.600 12.222 -1.478 21 H GLN 3 H GLN 3 -5.366 14.470 -4.237 22 HA GLN 3 HA GLN 3 -3.388 15.235 -3.435 23 HB2 GLN 3 2HB GLN 3 -4.033 17.080 -5.024 24 HB3 GLN 3 1HB GLN 3 -4.648 17.974 -3.642 25 HG2 GLN 3 2HG GLN 3 -2.359 17.819 -2.639 26 HG3 GLN 3 1HG GLN 3 -1.807 17.150 -4.173 27 HE21 GLN 3 1HE2 GLN 3 -0.994 19.589 -2.845 28 HE22 GLN 3 2HE2 GLN 3 -1.337 20.882 -3.943 29 HA PRO 4 HA PRO 4 -5.140 15.760 0.818 30 HB2 PRO 4 2HB PRO 4 -4.157 13.514 1.910 31 HB3 PRO 4 1HB PRO 4 -5.613 13.498 0.908 32 HG2 PRO 4 2HG PRO 4 -2.809 12.748 0.191 33 HG3 PRO 4 1HG PRO 4 -4.329 11.945 -0.241 34 HD2 PRO 4 2HD PRO 4 -2.957 13.640 -1.912 35 HD3 PRO 4 1HD PRO 4 -4.702 13.341 -2.015 36 H THR 5 H THR 5 -2.080 15.696 -0.553 37 HA THR 5 HA THR 5 -0.372 15.703 1.670 38 HB THR 5 HB THR 5 0.095 17.233 -0.892 39 HG1 THR 5 1HG THR 5 0.901 15.240 -1.705 40 HG21 THR 5 3HG2 THR 5 2.439 16.665 -0.468 41 HG22 THR 5 1HG2 THR 5 1.975 15.823 1.010 42 HG23 THR 5 2HG2 THR 5 1.753 17.569 0.881 43 H SER 6 H SER 6 -1.095 16.971 3.309 44 HA SER 6 HA SER 6 -0.802 19.859 2.914 45 HB2 SER 6 2HB SER 6 -2.767 20.085 4.573 46 HB3 SER 6 1HB SER 6 -3.158 19.648 2.909 47 HG SER 6 HG SER 6 -3.333 17.490 3.560 48 H ALA 7 H ALA 7 0.479 17.320 4.238 49 HA ALA 7 HA ALA 7 1.684 18.653 6.438 50 HB1 ALA 7 1HB ALA 7 0.857 17.202 8.224 51 HB2 ALA 7 2HB ALA 7 -0.235 16.413 7.087 52 HB3 ALA 7 3HB ALA 7 -0.464 18.114 7.491 53 H GLU 8 H GLU 8 3.098 17.068 7.676 54 HA GLU 8 HA GLU 8 3.695 14.608 6.231 55 HB2 GLU 8 2HB GLU 8 5.160 16.369 5.232 56 HB3 GLU 8 1HB GLU 8 5.837 16.664 6.827 57 HG2 GLU 8 2HG GLU 8 6.704 14.391 6.894 58 HG3 GLU 8 1HG GLU 8 6.002 14.071 5.309 59 H ASN 9 H ASN 9 3.201 13.306 7.896 60 HA ASN 9 HA ASN 9 4.564 13.773 10.463 61 HB2 ASN 9 2HB ASN 9 1.689 12.903 10.065 62 HB3 ASN 9 1HB ASN 9 2.527 12.901 11.615 63 HD21 ASN 9 1HD2 ASN 9 3.012 14.866 12.607 64 HD22 ASN 9 2HD2 ASN 9 2.231 16.338 12.145 65 H SER 10 H SER 10 4.297 11.687 11.863 66 HA SER 10 HA SER 10 4.800 9.369 10.118 67 HB2 SER 10 2HB SER 10 6.402 8.592 11.916 68 HB3 SER 10 1HB SER 10 6.920 10.016 11.013 69 HG SER 10 HG SER 10 5.585 10.992 13.003 70 H VAL 11 H VAL 11 3.385 10.590 13.044 71 HA VAL 11 HA VAL 11 1.743 9.824 14.405 72 HB VAL 11 HB VAL 11 1.457 7.519 12.474 73 HG11 VAL 11 1HG1 VAL 11 -0.762 7.242 13.449 74 HG12 VAL 11 2HG1 VAL 11 -0.441 8.561 14.574 75 HG13 VAL 11 3HG1 VAL 11 0.492 7.068 14.677 76 HG21 VAL 11 3HG2 VAL 11 -0.062 10.125 12.618 77 HG22 VAL 11 1HG2 VAL 11 -0.413 8.787 11.526 78 HG23 VAL 11 2HG2 VAL 11 1.103 9.677 11.373 79 H ALA 12 H ALA 12 2.466 9.209 16.326 80 HA ALA 12 HA ALA 12 4.332 7.069 16.628 81 HB1 ALA 12 1HB ALA 12 2.809 8.552 18.766 82 HB2 ALA 12 2HB ALA 12 4.363 9.047 18.094 83 HB3 ALA 12 3HB ALA 12 4.235 7.540 19.001 84 H LYS 13 H LYS 13 3.151 5.365 15.678 85 HA LYS 13 HA LYS 13 1.848 3.696 17.572 86 HB2 LYS 13 2HB LYS 13 -0.080 5.129 16.982 87 HB3 LYS 13 1HB LYS 13 0.155 4.746 15.284 88 HG2 LYS 13 2HG LYS 13 -0.401 2.433 15.684 89 HG3 LYS 13 1HG LYS 13 -0.517 2.730 17.418 90 HD2 LYS 13 2HD LYS 13 -2.238 4.081 15.342 91 HD3 LYS 13 1HD LYS 13 -2.720 2.644 16.245 92 HE2 LYS 13 2HE LYS 13 -2.529 3.869 18.334 93 HE3 LYS 13 1HE LYS 13 -1.974 5.300 17.465 94 HZ1 LYS 13 3HZ LYS 13 -4.612 4.027 16.993 95 HZ2 LYS 13 1HZ LYS 13 -4.079 5.535 16.431 96 HZ3 LYS 13 2HZ LYS 13 -4.378 5.300 18.085 97 H LYS 14 H LYS 14 1.804 4.228 14.062 98 HA LYS 14 HA LYS 14 2.726 3.143 12.315 99 HB2 LYS 14 2HB LYS 14 4.526 1.969 14.442 100 HB3 LYS 14 1HB LYS 14 4.811 1.856 12.709 101 HG2 LYS 14 2HG LYS 14 5.019 4.257 12.547 102 HG3 LYS 14 1HG LYS 14 4.609 4.433 14.252 103 HD2 LYS 14 2HD LYS 14 6.638 3.174 14.847 104 HD3 LYS 14 1HD LYS 14 7.056 3.063 13.135 105 HE2 LYS 14 2HE LYS 14 7.145 5.506 13.003 106 HE3 LYS 14 1HE LYS 14 6.720 5.613 14.708 107 HZ1 LYS 14 3HZ LYS 14 9.174 4.319 13.648 108 HZ2 LYS 14 1HZ LYS 14 8.777 4.521 15.286 109 HZ3 LYS 14 2HZ LYS 14 9.105 5.875 14.314 110 H GLU 15 H GLU 15 3.671 0.628 11.862 111 HA GLU 15 HA GLU 15 1.199 -0.890 12.147 112 HB2 GLU 15 2HB GLU 15 3.556 -1.228 10.295 113 HB3 GLU 15 1HB GLU 15 2.188 -2.333 10.346 114 HG2 GLU 15 2HG GLU 15 2.183 0.566 9.559 115 HG3 GLU 15 1HG GLU 15 1.848 -0.834 8.539 116 H ASP 16 H ASP 16 4.636 -1.113 12.872 117 HA ASP 16 HA ASP 16 4.417 -3.820 13.803 118 HB2 ASP 16 2HB ASP 16 6.790 -3.297 14.715 119 HB3 ASP 16 1HB ASP 16 6.548 -3.414 12.980 120 H LYS 17 H LYS 17 3.003 -3.984 15.381 121 HA LYS 17 HA LYS 17 3.081 -2.204 17.684 122 HB2 LYS 17 2HB LYS 17 1.152 -4.425 16.972 123 HB3 LYS 17 1HB LYS 17 0.949 -3.257 18.273 124 HG2 LYS 17 2HG LYS 17 0.457 -1.534 16.837 125 HG3 LYS 17 1HG LYS 17 1.312 -2.275 15.483 126 HD2 LYS 17 2HD LYS 17 -0.482 -4.032 15.438 127 HD3 LYS 17 1HD LYS 17 -1.364 -3.067 16.624 128 HE2 LYS 17 2HE LYS 17 -1.539 -1.230 15.108 129 HE3 LYS 17 1HE LYS 17 -0.446 -2.001 13.961 130 HZ1 LYS 17 3HZ LYS 17 -3.197 -2.874 14.674 131 HZ2 LYS 17 1HZ LYS 17 -2.130 -3.778 13.708 132 HZ3 LYS 17 2HZ LYS 17 -2.662 -2.259 13.182 133 H VAL 18 H VAL 18 3.637 -2.840 19.709 134 HA VAL 18 HA VAL 18 4.945 -3.883 21.226 135 HB VAL 18 HB VAL 18 3.663 -6.386 20.127 136 HG11 VAL 18 1HG1 VAL 18 4.132 -7.341 22.348 137 HG12 VAL 18 2HG1 VAL 18 4.993 -5.864 22.784 138 HG13 VAL 18 3HG1 VAL 18 5.609 -6.894 21.493 139 HG21 VAL 18 3HG2 VAL 18 1.961 -4.825 20.811 140 HG22 VAL 18 1HG2 VAL 18 2.784 -4.542 22.345 141 HG23 VAL 18 2HG2 VAL 18 2.066 -6.116 22.007 142 HA PRO 19 HA PRO 19 7.988 -4.843 17.901 143 HB2 PRO 19 2HB PRO 19 9.654 -2.764 19.033 144 HB3 PRO 19 1HB PRO 19 8.869 -2.813 17.454 145 HG2 PRO 19 2HG PRO 19 8.151 -1.086 19.447 146 HG3 PRO 19 1HG PRO 19 7.041 -1.652 18.186 147 HD2 PRO 19 2HD PRO 19 7.340 -2.595 21.017 148 HD3 PRO 19 1HD PRO 19 5.858 -2.328 20.067 149 H VAL 20 H VAL 20 8.909 -6.714 18.514 150 HA VAL 20 HA VAL 20 10.896 -6.599 20.670 151 HB VAL 20 HB VAL 20 9.710 -9.116 19.490 152 HG11 VAL 20 1HG1 VAL 20 11.302 -8.646 22.013 153 HG12 VAL 20 2HG1 VAL 20 11.894 -9.406 20.536 154 HG13 VAL 20 3HG1 VAL 20 10.635 -10.193 21.489 155 HG21 VAL 20 3HG2 VAL 20 8.373 -9.279 21.562 156 HG22 VAL 20 1HG2 VAL 20 7.923 -7.895 20.568 157 HG23 VAL 20 2HG2 VAL 20 8.911 -7.660 22.009 158 H LYS 21 H LYS 21 12.104 -5.454 18.969 159 HA LYS 21 HA LYS 21 13.803 -5.305 17.480 160 HB2 LYS 21 2HB LYS 21 14.649 -7.413 18.598 161 HB3 LYS 21 1HB LYS 21 13.828 -8.326 17.340 162 HG2 LYS 21 2HG LYS 21 15.202 -7.199 15.643 163 HG3 LYS 21 1HG LYS 21 16.039 -6.323 16.925 164 HD2 LYS 21 2HD LYS 21 15.994 -9.321 16.562 165 HD3 LYS 21 1HD LYS 21 17.339 -8.250 16.167 166 HE2 LYS 21 2HE LYS 21 16.191 -8.809 18.897 167 HE3 LYS 21 1HE LYS 21 17.769 -9.300 18.285 168 HZ1 LYS 21 3HZ LYS 21 18.192 -7.436 19.592 169 HZ2 LYS 21 1HZ LYS 21 16.843 -6.588 19.010 170 HZ3 LYS 21 2HZ LYS 21 18.190 -6.821 18.010 171 H LYS 22 H LYS 22 14.077 -5.257 15.210 172 HA LYS 22 HA LYS 22 11.997 -6.586 13.649 173 HB2 LYS 22 2HB LYS 22 11.663 -4.380 12.382 174 HB3 LYS 22 1HB LYS 22 10.922 -4.531 13.969 175 HG2 LYS 22 2HG LYS 22 13.096 -3.376 14.803 176 HG3 LYS 22 1HG LYS 22 13.257 -2.878 13.119 177 HD2 LYS 22 2HD LYS 22 10.864 -2.351 14.881 178 HD3 LYS 22 1HD LYS 22 12.119 -1.179 14.485 179 HE2 LYS 22 2HE LYS 22 11.521 -1.361 12.107 180 HE3 LYS 22 1HE LYS 22 10.254 -2.516 12.524 181 HZ1 LYS 22 3HZ LYS 22 9.144 -0.811 13.818 182 HZ2 LYS 22 1HZ LYS 22 9.383 -0.271 12.229 183 HZ3 LYS 22 2HZ LYS 22 10.383 0.300 13.473 184 H GLN 23 H GLN 23 14.562 -4.165 13.021 185 HA GLN 23 HA GLN 23 16.285 -4.134 11.527 186 HB2 GLN 23 2HB GLN 23 16.121 -7.092 12.082 187 HB3 GLN 23 1HB GLN 23 17.349 -6.396 11.037 188 HG2 GLN 23 2HG GLN 23 18.199 -5.069 12.876 189 HG3 GLN 23 1HG GLN 23 16.934 -5.697 13.936 190 HE21 GLN 23 1HE2 GLN 23 19.897 -5.873 14.027 191 HE22 GLN 23 2HE2 GLN 23 20.240 -7.566 14.165 192 H LYS 24 H LYS 24 17.063 -5.729 9.446 193 HA LYS 24 HA LYS 24 14.909 -6.775 7.920 194 HB2 LYS 24 2HB LYS 24 14.987 -5.254 6.007 195 HB3 LYS 24 1HB LYS 24 14.470 -4.410 7.454 196 HG2 LYS 24 2HG LYS 24 17.316 -4.325 6.506 197 HG3 LYS 24 1HG LYS 24 16.088 -3.221 5.886 198 HD2 LYS 24 2HD LYS 24 15.666 -2.400 8.137 199 HD3 LYS 24 1HD LYS 24 16.837 -3.546 8.791 200 HE2 LYS 24 2HE LYS 24 18.606 -2.456 7.479 201 HE3 LYS 24 1HE LYS 24 17.426 -1.296 6.871 202 HZ1 LYS 24 3HZ LYS 24 18.781 -0.485 8.764 203 HZ2 LYS 24 1HZ LYS 24 18.062 -1.665 9.747 204 HZ3 LYS 24 2HZ LYS 24 17.111 -0.436 9.059 205 H THR 25 H THR 25 15.763 -8.481 6.963 206 HA THR 25 HA THR 25 18.623 -8.632 6.549 207 HB THR 25 HB THR 25 17.374 -10.538 7.519 208 HG1 THR 25 1HG THR 25 18.925 -11.695 6.713 209 HG21 THR 25 3HG2 THR 25 15.310 -10.354 6.234 210 HG22 THR 25 1HG2 THR 25 16.008 -11.967 6.077 211 HG23 THR 25 2HG2 THR 25 16.176 -10.802 4.763 212 H ARG 26 H ARG 26 16.170 -7.374 4.821 213 HA ARG 26 HA ARG 26 17.731 -7.017 2.503 214 HB2 ARG 26 2HB ARG 26 16.483 -8.154 0.825 215 HB3 ARG 26 1HB ARG 26 16.838 -9.347 2.060 216 HG2 ARG 26 2HG ARG 26 14.212 -7.898 1.823 217 HG3 ARG 26 1HG ARG 26 14.547 -9.481 1.119 218 HD2 ARG 26 2HD ARG 26 15.077 -10.323 3.381 219 HD3 ARG 26 1HD ARG 26 14.622 -8.756 4.045 220 HE ARG 26 HE ARG 26 12.728 -10.493 2.587 221 HH11 ARG 26 1HH1 ARG 26 13.513 -8.284 5.184 222 HH12 ARG 26 2HH1 ARG 26 11.977 -8.450 5.984 223 HH21 ARG 26 1HH2 ARG 26 10.685 -10.731 3.634 224 HH22 ARG 26 2HH2 ARG 26 10.372 -9.830 5.089 225 H THR 27 H THR 27 16.220 -5.884 0.757 226 HA THR 27 HA THR 27 14.984 -3.749 2.212 227 HB THR 27 HB THR 27 14.457 -2.965 -0.212 228 HG1 THR 27 1HG THR 27 16.024 -3.929 -1.698 229 HG21 THR 27 3HG2 THR 27 17.293 -3.220 0.795 230 HG22 THR 27 1HG2 THR 27 16.146 -1.953 1.236 231 HG23 THR 27 2HG2 THR 27 16.738 -2.072 -0.423 232 H VAL 28 H VAL 28 12.910 -3.136 2.247 233 HA VAL 28 HA VAL 28 10.812 -4.618 0.902 234 HB VAL 28 HB VAL 28 9.585 -4.986 3.097 235 HG11 VAL 28 1HG1 VAL 28 12.104 -6.587 2.663 236 HG12 VAL 28 2HG1 VAL 28 10.548 -6.855 1.877 237 HG13 VAL 28 3HG1 VAL 28 10.711 -7.098 3.616 238 HG21 VAL 28 3HG2 VAL 28 12.340 -4.534 4.240 239 HG22 VAL 28 1HG2 VAL 28 10.974 -5.211 5.126 240 HG23 VAL 28 2HG2 VAL 28 10.903 -3.553 4.529 241 H PHE 29 H PHE 29 8.626 -3.694 2.225 242 HA PHE 29 HA PHE 29 8.804 -0.819 1.894 243 HB2 PHE 29 2HB PHE 29 6.511 -2.683 2.496 244 HB3 PHE 29 1HB PHE 29 6.332 -0.939 2.494 245 HD1 PHE 29 2HD PHE 29 6.928 -3.897 0.418 246 HD2 PHE 29 1HD PHE 29 6.312 0.314 0.454 247 HE1 PHE 29 2HE PHE 29 6.520 -3.941 -2.010 248 HE2 PHE 29 1HE PHE 29 5.900 0.277 -1.971 249 HZ PHE 29 HZ PHE 29 6.003 -1.852 -3.207 250 H SER 30 H SER 30 8.955 0.595 3.475 251 HA SER 30 HA SER 30 9.608 -0.355 6.104 252 HB2 SER 30 2HB SER 30 10.874 1.471 4.979 253 HB3 SER 30 1HB SER 30 9.437 2.486 5.063 254 HG SER 30 HG SER 30 11.256 1.804 7.030 255 H SER 31 H SER 31 8.636 0.527 8.066 256 HA SER 31 HA SER 31 5.928 0.194 8.295 257 HB2 SER 31 2HB SER 31 7.645 2.011 10.010 258 HB3 SER 31 1HB SER 31 6.096 1.305 10.470 259 HG SER 31 HG SER 31 7.183 -0.353 11.133 260 H THR 32 H THR 32 7.703 3.176 7.669 261 HA THR 32 HA THR 32 5.647 5.033 7.849 262 HB THR 32 HB THR 32 7.848 5.162 5.791 263 HG1 THR 32 1HG THR 32 8.133 6.128 8.431 264 HG21 THR 32 3HG2 THR 32 6.185 6.949 5.698 265 HG22 THR 32 1HG2 THR 32 7.735 7.573 6.263 266 HG23 THR 32 2HG2 THR 32 6.430 7.279 7.413 267 H GLN 33 H GLN 33 6.786 3.270 4.961 268 HA GLN 33 HA GLN 33 4.825 4.348 3.229 269 HB2 GLN 33 2HB GLN 33 6.538 1.871 2.994 270 HB3 GLN 33 1HB GLN 33 5.496 2.463 1.709 271 HG2 GLN 33 2HG GLN 33 6.772 4.595 1.740 272 HG3 GLN 33 1HG GLN 33 7.869 3.860 2.907 273 HE21 GLN 33 1HE2 GLN 33 9.316 2.309 2.235 274 HE22 GLN 33 2HE2 GLN 33 9.625 1.977 0.571 275 H LEU 34 H LEU 34 5.003 1.408 5.168 276 HA LEU 34 HA LEU 34 2.697 0.142 4.225 277 HB2 LEU 34 2HB LEU 34 3.912 0.127 6.987 278 HB3 LEU 34 1HB LEU 34 2.647 -0.967 6.460 279 HG LEU 34 HG LEU 34 5.426 -0.823 5.279 280 HD11 LEU 34 1HD1 LEU 34 5.751 -3.001 6.347 281 HD12 LEU 34 2HD1 LEU 34 4.166 -2.861 7.108 282 HD13 LEU 34 3HD1 LEU 34 5.452 -1.731 7.533 283 HD21 LEU 34 3HD2 LEU 34 3.142 -2.720 4.747 284 HD22 LEU 34 1HD2 LEU 34 4.775 -2.868 4.097 285 HD23 LEU 34 2HD2 LEU 34 3.763 -1.498 3.638 286 H CYS 35 H CYS 35 3.099 2.455 6.905 287 HA CYS 35 HA CYS 35 0.387 2.541 7.626 288 HB2 CYS 35 2HB CYS 35 2.584 4.577 7.988 289 HB3 CYS 35 1HB CYS 35 0.983 4.726 8.705 290 HG CYS 35 HG CYS 35 1.369 2.091 9.976 291 H VAL 36 H VAL 36 2.220 4.386 5.223 292 HA VAL 36 HA VAL 36 0.221 6.256 4.586 293 HB VAL 36 HB VAL 36 2.385 5.091 2.819 294 HG11 VAL 36 1HG1 VAL 36 0.591 5.988 1.438 295 HG12 VAL 36 2HG1 VAL 36 2.003 7.044 1.366 296 HG13 VAL 36 3HG1 VAL 36 0.614 7.492 2.356 297 HG21 VAL 36 3HG2 VAL 36 3.228 6.302 4.762 298 HG22 VAL 36 1HG2 VAL 36 2.220 7.690 4.348 299 HG23 VAL 36 2HG2 VAL 36 3.539 7.207 3.281 300 H LEU 37 H LEU 37 0.926 3.049 3.218 301 HA LEU 37 HA LEU 37 -1.202 3.038 1.353 302 HB2 LEU 37 2HB LEU 37 0.171 0.704 2.696 303 HB3 LEU 37 1HB LEU 37 -0.858 0.599 1.282 304 HG LEU 37 HG LEU 37 1.757 2.098 1.396 305 HD11 LEU 37 1HD1 LEU 37 2.141 -0.279 1.602 306 HD12 LEU 37 2HD1 LEU 37 2.604 0.263 -0.012 307 HD13 LEU 37 3HD1 LEU 37 1.081 -0.595 0.229 308 HD21 LEU 37 3HD2 LEU 37 1.521 2.207 -1.037 309 HD22 LEU 37 1HD2 LEU 37 0.180 3.017 -0.226 310 HD23 LEU 37 2HD2 LEU 37 -0.049 1.414 -0.920 311 H ASN 38 H ASN 38 -0.895 1.872 4.663 312 HA ASN 38 HA ASN 38 -3.437 0.662 4.859 313 HB2 ASN 38 2HB ASN 38 -1.569 0.187 6.407 314 HB3 ASN 38 1HB ASN 38 -1.680 1.823 7.039 315 HD21 ASN 38 1HD2 ASN 38 -2.006 1.034 9.112 316 HD22 ASN 38 2HD2 ASN 38 -3.522 0.361 9.606 317 H ASP 39 H ASP 39 -2.297 3.936 5.457 318 HA ASP 39 HA ASP 39 -4.637 4.908 6.677 319 HB2 ASP 39 2HB ASP 39 -2.439 6.085 6.704 320 HB3 ASP 39 1HB ASP 39 -2.666 6.478 5.002 321 H ARG 40 H ARG 40 -3.593 4.929 3.272 322 HA ARG 40 HA ARG 40 -5.768 6.364 2.248 323 HB2 ARG 40 2HB ARG 40 -4.226 4.170 0.848 324 HB3 ARG 40 1HB ARG 40 -5.201 5.410 0.073 325 HG2 ARG 40 2HG ARG 40 -2.667 5.842 1.637 326 HG3 ARG 40 1HG ARG 40 -2.858 5.949 -0.113 327 HD2 ARG 40 2HD ARG 40 -4.300 7.697 1.874 328 HD3 ARG 40 1HD ARG 40 -2.803 8.146 1.064 329 HE ARG 40 HE ARG 40 -5.357 7.648 -0.341 330 HH11 ARG 40 1HH1 ARG 40 -2.306 9.342 -0.043 331 HH12 ARG 40 2HH1 ARG 40 -2.620 10.403 -1.375 332 HH21 ARG 40 1HH2 ARG 40 -5.782 9.079 -2.074 333 HH22 ARG 40 2HH2 ARG 40 -4.589 10.270 -2.539 334 H PHE 41 H PHE 41 -5.349 2.889 2.781 335 HA PHE 41 HA PHE 41 -7.931 2.180 1.769 336 HB2 PHE 41 2HB PHE 41 -5.857 0.686 3.366 337 HB3 PHE 41 1HB PHE 41 -7.420 -0.025 2.954 338 HD1 PHE 41 1HD PHE 41 -8.028 0.688 0.358 339 HD2 PHE 41 2HD PHE 41 -4.178 -0.092 1.983 340 HE1 PHE 41 1HE PHE 41 -7.205 0.161 -1.870 341 HE2 PHE 41 2HE PHE 41 -3.345 -0.648 -0.268 342 HZ PHE 41 HZ PHE 41 -4.858 -0.518 -2.203 343 H GLN 42 H GLN 42 -6.733 3.309 4.793 344 HA GLN 42 HA GLN 42 -8.997 2.513 6.366 345 HB2 GLN 42 2HB GLN 42 -6.825 2.984 7.400 346 HB3 GLN 42 1HB GLN 42 -6.898 4.644 6.836 347 HG2 GLN 42 2HG GLN 42 -9.196 3.855 8.453 348 HG3 GLN 42 1HG GLN 42 -7.655 3.762 9.303 349 HE21 GLN 42 1HE2 GLN 42 -6.400 5.640 9.513 350 HE22 GLN 42 2HE2 GLN 42 -7.100 7.214 9.387 351 H ARG 43 H ARG 43 -8.025 5.365 4.549 352 HA ARG 43 HA ARG 43 -10.263 6.975 5.250 353 HB2 ARG 43 2HB ARG 43 -8.631 7.162 2.710 354 HB3 ARG 43 1HB ARG 43 -9.597 8.432 3.446 355 HG2 ARG 43 2HG ARG 43 -7.094 7.218 4.587 356 HG3 ARG 43 1HG ARG 43 -7.238 8.805 3.834 357 HD2 ARG 43 2HD ARG 43 -8.565 9.629 5.596 358 HD3 ARG 43 1HD ARG 43 -8.857 8.011 6.233 359 HE ARG 43 HE ARG 43 -6.095 8.490 6.259 360 HH11 ARG 43 1HH1 ARG 43 -9.001 9.683 7.828 361 HH12 ARG 43 2HH1 ARG 43 -8.201 10.011 9.339 362 HH21 ARG 43 1HH2 ARG 43 -5.054 8.835 8.234 363 HH22 ARG 43 2HH2 ARG 43 -5.944 9.505 9.585 364 H GLN 44 H GLN 44 -9.502 5.057 2.355 365 HA GLN 44 HA GLN 44 -12.397 4.834 1.838 366 HB2 GLN 44 2HB GLN 44 -10.229 5.267 -0.232 367 HB3 GLN 44 1HB GLN 44 -11.910 4.905 -0.595 368 HG2 GLN 44 2HG GLN 44 -12.551 7.002 0.566 369 HG3 GLN 44 1HG GLN 44 -10.837 7.365 0.756 370 HE21 GLN 44 1HE2 GLN 44 -12.120 5.792 -2.077 371 HE22 GLN 44 2HE2 GLN 44 -11.900 7.123 -3.161 372 H LYS 45 H LYS 45 -13.039 2.866 0.870 373 HA LYS 45 HA LYS 45 -11.636 0.607 1.794 374 HB2 LYS 45 2HB LYS 45 -13.815 0.763 -0.297 375 HB3 LYS 45 1HB LYS 45 -13.310 -0.693 0.546 376 HG2 LYS 45 2HG LYS 45 -14.088 0.217 2.650 377 HG3 LYS 45 1HG LYS 45 -14.517 1.736 1.856 378 HD2 LYS 45 2HD LYS 45 -16.128 0.518 0.445 379 HD3 LYS 45 1HD LYS 45 -15.717 -0.978 1.289 380 HE2 LYS 45 2HE LYS 45 -16.509 -0.034 3.382 381 HE3 LYS 45 1HE LYS 45 -16.864 1.495 2.580 382 HZ1 LYS 45 3HZ LYS 45 -18.844 0.112 2.876 383 HZ2 LYS 45 1HZ LYS 45 -18.146 -1.107 1.931 384 HZ3 LYS 45 2HZ LYS 45 -18.522 0.394 1.237 385 H TYR 46 H TYR 46 -11.858 2.145 -1.372 386 HA TYR 46 HA TYR 46 -9.487 0.647 -2.187 387 HB2 TYR 46 2HB TYR 46 -12.049 0.805 -3.778 388 HB3 TYR 46 1HB TYR 46 -10.502 0.351 -4.483 389 HD1 TYR 46 2HD TYR 46 -9.268 -1.509 -2.818 390 HD2 TYR 46 1HD TYR 46 -13.444 -0.984 -3.435 391 HE1 TYR 46 2HE TYR 46 -9.650 -3.851 -2.173 392 HE2 TYR 46 1HE TYR 46 -13.838 -3.324 -2.795 393 HH TYR 46 HH TYR 46 -11.543 -5.227 -1.260 394 H LEU 47 H LEU 47 -8.336 1.618 -3.946 395 HA LEU 47 HA LEU 47 -8.637 4.513 -4.019 396 HB2 LEU 47 2HB LEU 47 -6.442 2.612 -4.738 397 HB3 LEU 47 1HB LEU 47 -6.448 4.219 -5.435 398 HG LEU 47 HG LEU 47 -6.404 5.186 -3.153 399 HD11 LEU 47 1HD1 LEU 47 -6.049 2.332 -2.245 400 HD12 LEU 47 2HD1 LEU 47 -7.465 3.343 -1.947 401 HD13 LEU 47 3HD1 LEU 47 -5.910 3.771 -1.235 402 HD21 LEU 47 3HD2 LEU 47 -4.074 4.591 -2.662 403 HD22 LEU 47 1HD2 LEU 47 -4.334 4.880 -4.383 404 HD23 LEU 47 2HD2 LEU 47 -4.196 3.230 -3.776 405 H SER 48 H SER 48 -8.831 5.679 -5.950 406 HA SER 48 HA SER 48 -10.175 4.253 -8.076 407 HB2 SER 48 2HB SER 48 -10.623 6.599 -8.900 408 HB3 SER 48 1HB SER 48 -11.267 6.257 -7.292 409 HG SER 48 HG SER 48 -10.229 8.161 -7.056 410 H LEU 49 H LEU 49 -9.660 5.351 -10.320 411 HA LEU 49 HA LEU 49 -7.043 4.545 -11.037 412 HB2 LEU 49 2HB LEU 49 -8.969 4.515 -12.588 413 HB3 LEU 49 1HB LEU 49 -8.992 6.267 -12.578 414 HG LEU 49 HG LEU 49 -6.702 6.249 -13.566 415 HD11 LEU 49 1HD1 LEU 49 -6.005 4.039 -12.808 416 HD12 LEU 49 2HD1 LEU 49 -5.876 4.179 -14.561 417 HD13 LEU 49 3HD1 LEU 49 -7.221 3.292 -13.846 418 HD21 LEU 49 3HD2 LEU 49 -8.681 6.549 -14.959 419 HD22 LEU 49 1HD2 LEU 49 -8.835 4.801 -15.133 420 HD23 LEU 49 2HD2 LEU 49 -7.439 5.636 -15.813 421 H GLN 50 H GLN 50 -8.527 7.651 -10.374 422 HA GLN 50 HA GLN 50 -6.264 9.223 -11.032 423 HB2 GLN 50 2HB GLN 50 -8.777 9.700 -9.454 424 HB3 GLN 50 1HB GLN 50 -7.526 10.917 -9.575 425 HG2 GLN 50 2HG GLN 50 -7.755 10.921 -12.006 426 HG3 GLN 50 1HG GLN 50 -9.014 9.692 -11.880 427 HE21 GLN 50 1HE2 GLN 50 -11.052 10.272 -11.161 428 HE22 GLN 50 2HE2 GLN 50 -11.545 11.921 -10.988 429 H GLN 51 H GLN 51 -7.440 7.722 -8.045 430 HA GLN 51 HA GLN 51 -5.641 9.141 -6.381 431 HB2 GLN 51 2HB GLN 51 -7.783 8.329 -5.549 432 HB3 GLN 51 1HB GLN 51 -7.282 6.666 -5.832 433 HG2 GLN 51 2HG GLN 51 -5.662 6.762 -4.152 434 HG3 GLN 51 1HG GLN 51 -5.779 8.511 -4.033 435 HE21 GLN 51 1HE2 GLN 51 -8.609 6.501 -4.282 436 HE22 GLN 51 2HE2 GLN 51 -9.158 6.728 -2.664 437 H MET 52 H MET 52 -5.526 5.985 -7.981 438 HA MET 52 HA MET 52 -3.286 5.011 -6.541 439 HB2 MET 52 2HB MET 52 -3.006 3.399 -8.382 440 HB3 MET 52 1HB MET 52 -4.660 3.475 -7.800 441 HG2 MET 52 2HG MET 52 -5.260 4.874 -9.719 442 HG3 MET 52 1HG MET 52 -3.603 4.754 -10.307 443 HE1 MET 52 3HE MET 52 -5.707 1.943 -8.554 444 HE2 MET 52 1HE MET 52 -6.420 1.112 -9.937 445 HE3 MET 52 2HE MET 52 -6.920 2.756 -9.543 446 H GLN 53 H GLN 53 -3.492 6.841 -9.598 447 HA GLN 53 HA GLN 53 -0.651 6.890 -9.913 448 HB2 GLN 53 2HB GLN 53 -1.038 8.561 -11.667 449 HB3 GLN 53 1HB GLN 53 -2.063 7.151 -11.875 450 HG2 GLN 53 2HG GLN 53 -3.967 8.357 -11.029 451 HG3 GLN 53 1HG GLN 53 -2.955 9.751 -10.651 452 HE21 GLN 53 1HE2 GLN 53 -2.507 7.855 -13.540 453 HE22 GLN 53 2HE2 GLN 53 -3.067 9.054 -14.652 454 H GLU 54 H GLU 54 -3.024 8.973 -8.392 455 HA GLU 54 HA GLU 54 -1.413 11.173 -7.796 456 HB2 GLU 54 2HB GLU 54 -3.816 11.167 -7.347 457 HB3 GLU 54 1HB GLU 54 -3.613 9.903 -6.142 458 HG2 GLU 54 2HG GLU 54 -2.193 11.493 -4.834 459 HG3 GLU 54 1HG GLU 54 -2.644 12.747 -5.989 460 H LEU 55 H LEU 55 -2.019 8.250 -5.865 461 HA LEU 55 HA LEU 55 -0.275 8.847 -3.768 462 HB2 LEU 55 2HB LEU 55 -2.017 7.107 -3.678 463 HB3 LEU 55 1HB LEU 55 -1.088 6.134 -4.802 464 HG LEU 55 HG LEU 55 0.734 5.983 -3.126 465 HD11 LEU 55 1HD1 LEU 55 0.309 8.036 -1.908 466 HD12 LEU 55 2HD1 LEU 55 0.276 6.651 -0.815 467 HD13 LEU 55 3HD1 LEU 55 -1.233 7.399 -1.336 468 HD21 LEU 55 3HD2 LEU 55 -0.409 4.429 -1.631 469 HD22 LEU 55 1HD2 LEU 55 -0.940 4.219 -3.301 470 HD23 LEU 55 2HD2 LEU 55 -1.968 5.071 -2.149 471 H SER 56 H SER 56 0.267 7.226 -6.825 472 HA SER 56 HA SER 56 2.811 6.230 -6.441 473 HB2 SER 56 2HB SER 56 1.752 7.522 -8.965 474 HB3 SER 56 1HB SER 56 3.100 6.393 -8.868 475 HG SER 56 HG SER 56 0.452 5.764 -8.042 476 H ASN 57 H ASN 57 1.936 9.464 -7.642 477 HA ASN 57 HA ASN 57 4.607 10.350 -7.897 478 HB2 ASN 57 2HB ASN 57 2.757 11.403 -9.111 479 HB3 ASN 57 1HB ASN 57 2.075 11.978 -7.593 480 HD21 ASN 57 1HD2 ASN 57 4.685 12.333 -9.881 481 HD22 ASN 57 2HD2 ASN 57 5.219 13.876 -9.320 482 H ILE 58 H ILE 58 2.339 10.381 -5.235 483 HA ILE 58 HA ILE 58 3.757 12.279 -3.651 484 HB ILE 58 HB ILE 58 1.830 10.171 -2.671 485 HG12 ILE 58 2HG1 ILE 58 1.317 12.955 -3.730 486 HG13 ILE 58 1HG1 ILE 58 0.770 11.447 -4.444 487 HG21 ILE 58 1HG2 ILE 58 2.630 12.840 -1.516 488 HG22 ILE 58 2HG2 ILE 58 3.145 11.263 -0.918 489 HG23 ILE 58 3HG2 ILE 58 1.447 11.729 -0.825 490 HD11 ILE 58 3HD1 ILE 58 -0.124 12.558 -1.792 491 HD12 ILE 58 1HD1 ILE 58 -0.670 11.045 -2.516 492 HD13 ILE 58 2HD1 ILE 58 -1.043 12.581 -3.297 493 H LEU 59 H LEU 59 3.792 8.774 -3.946 494 HA LEU 59 HA LEU 59 5.604 8.525 -1.678 495 HB2 LEU 59 2HB LEU 59 3.658 6.979 -2.063 496 HB3 LEU 59 1HB LEU 59 4.500 6.366 -3.472 497 HG LEU 59 HG LEU 59 6.353 5.614 -2.002 498 HD11 LEU 59 1HD1 LEU 59 5.983 5.545 0.419 499 HD12 LEU 59 2HD1 LEU 59 4.495 6.468 0.217 500 HD13 LEU 59 3HD1 LEU 59 6.049 7.201 -0.182 501 HD21 LEU 59 3HD2 LEU 59 5.164 3.721 -1.045 502 HD22 LEU 59 1HD2 LEU 59 4.552 4.089 -2.657 503 HD23 LEU 59 2HD2 LEU 59 3.630 4.572 -1.233 504 H ASN 60 H ASN 60 5.959 9.320 -4.794 505 HA ASN 60 HA ASN 60 7.625 9.283 -6.346 506 HB2 ASN 60 2HB ASN 60 8.987 9.942 -4.305 507 HB3 ASN 60 1HB ASN 60 9.425 8.245 -4.147 508 HD21 ASN 60 1HD2 ASN 60 9.019 9.902 -7.206 509 HD22 ASN 60 2HD2 ASN 60 10.677 9.831 -7.682 510 H LEU 61 H LEU 61 5.938 7.005 -5.890 511 HA LEU 61 HA LEU 61 7.682 4.777 -6.713 512 HB2 LEU 61 2HB LEU 61 6.252 4.505 -4.648 513 HB3 LEU 61 1HB LEU 61 4.845 4.625 -5.683 514 HG LEU 61 HG LEU 61 5.559 2.587 -6.877 515 HD11 LEU 61 1HD1 LEU 61 7.753 2.504 -4.807 516 HD12 LEU 61 2HD1 LEU 61 7.964 2.767 -6.538 517 HD13 LEU 61 3HD1 LEU 61 7.366 1.215 -5.948 518 HD21 LEU 61 3HD2 LEU 61 4.016 2.422 -4.998 519 HD22 LEU 61 1HD2 LEU 61 5.373 2.291 -3.880 520 HD23 LEU 61 2HD2 LEU 61 5.078 1.015 -5.062 521 H SER 62 H SER 62 6.588 3.270 -8.293 522 HA SER 62 HA SER 62 5.762 4.881 -10.530 523 HB2 SER 62 2HB SER 62 7.415 3.144 -10.884 524 HB3 SER 62 1HB SER 62 6.318 1.922 -10.246 525 HG SER 62 HG SER 62 6.354 3.196 -12.723 526 H TYR 63 H TYR 63 3.825 4.789 -11.577 527 HA TYR 63 HA TYR 63 1.466 4.354 -10.203 528 HB2 TYR 63 2HB TYR 63 1.284 5.710 -12.094 529 HB3 TYR 63 1HB TYR 63 2.156 4.579 -13.119 530 HD1 TYR 63 2HD TYR 63 -1.073 5.031 -11.317 531 HD2 TYR 63 1HD TYR 63 0.993 3.094 -14.490 532 HE1 TYR 63 2HE TYR 63 -3.208 4.140 -12.156 533 HE2 TYR 63 1HE TYR 63 -1.132 2.195 -15.337 534 HH TYR 63 HH TYR 63 -4.187 3.266 -14.159 535 H LYS 64 H LYS 64 3.254 2.168 -12.324 536 HA LYS 64 HA LYS 64 1.254 0.153 -12.308 537 HB2 LYS 64 2HB LYS 64 4.150 0.156 -13.129 538 HB3 LYS 64 1HB LYS 64 3.144 -1.278 -13.221 539 HG2 LYS 64 2HG LYS 64 1.570 -0.016 -14.667 540 HG3 LYS 64 1HG LYS 64 2.716 1.325 -14.658 541 HD2 LYS 64 2HD LYS 64 4.409 -0.104 -15.677 542 HD3 LYS 64 1HD LYS 64 3.278 -1.461 -15.669 543 HE2 LYS 64 2HE LYS 64 1.761 -0.194 -17.119 544 HE3 LYS 64 1HE LYS 64 2.907 1.146 -17.142 545 HZ1 LYS 64 3HZ LYS 64 4.536 -0.372 -18.173 546 HZ2 LYS 64 1HZ LYS 64 3.145 -0.155 -19.121 547 HZ3 LYS 64 2HZ LYS 64 3.348 -1.585 -18.234 548 H GLN 65 H GLN 65 3.910 0.966 -10.222 549 HA GLN 65 HA GLN 65 3.903 -1.545 -8.840 550 HB2 GLN 65 2HB GLN 65 5.265 1.064 -8.520 551 HB3 GLN 65 1HB GLN 65 5.053 0.115 -7.056 552 HG2 GLN 65 2HG GLN 65 7.221 -0.282 -8.127 553 HG3 GLN 65 1HG GLN 65 6.243 -1.744 -8.035 554 HE21 GLN 65 1HE2 GLN 65 5.382 -2.614 -9.935 555 HE22 GLN 65 2HE2 GLN 65 5.984 -2.180 -11.497 556 H VAL 66 H VAL 66 2.380 1.621 -8.397 557 HA VAL 66 HA VAL 66 1.176 0.913 -5.887 558 HB VAL 66 HB VAL 66 0.449 3.130 -7.817 559 HG11 VAL 66 1HG1 VAL 66 -0.469 2.648 -4.977 560 HG12 VAL 66 2HG1 VAL 66 -1.467 2.539 -6.426 561 HG13 VAL 66 3HG1 VAL 66 -0.801 4.095 -5.932 562 HG21 VAL 66 3HG2 VAL 66 2.022 3.128 -5.239 563 HG22 VAL 66 1HG2 VAL 66 1.600 4.557 -6.184 564 HG23 VAL 66 2HG2 VAL 66 2.681 3.339 -6.860 565 H LYS 67 H LYS 67 0.108 0.905 -9.249 566 HA LYS 67 HA LYS 67 -2.568 0.181 -8.823 567 HB2 LYS 67 2HB LYS 67 -1.661 1.023 -10.971 568 HB3 LYS 67 1HB LYS 67 -0.808 -0.498 -11.184 569 HG2 LYS 67 2HG LYS 67 -3.111 -1.599 -11.026 570 HG3 LYS 67 1HG LYS 67 -3.755 0.024 -11.286 571 HD2 LYS 67 2HD LYS 67 -2.364 0.175 -13.347 572 HD3 LYS 67 1HD LYS 67 -1.904 -1.512 -13.105 573 HE2 LYS 67 2HE LYS 67 -4.392 -2.028 -13.101 574 HE3 LYS 67 1HE LYS 67 -4.627 -0.387 -13.701 575 HZ1 LYS 67 3HZ LYS 67 -2.950 -1.075 -15.492 576 HZ2 LYS 67 1HZ LYS 67 -4.537 -1.670 -15.609 577 HZ3 LYS 67 2HZ LYS 67 -3.296 -2.664 -15.020 578 H THR 68 H THR 68 0.264 -1.826 -9.522 579 HA THR 68 HA THR 68 -1.107 -4.274 -9.627 580 HB THR 68 HB THR 68 1.800 -3.786 -8.959 581 HG1 THR 68 1HG THR 68 1.641 -3.055 -10.973 582 HG21 THR 68 3HG2 THR 68 2.162 -6.074 -9.739 583 HG22 THR 68 1HG2 THR 68 0.427 -6.276 -9.982 584 HG23 THR 68 2HG2 THR 68 1.070 -6.049 -8.355 585 H TRP 69 H TRP 69 0.552 -2.656 -6.916 586 HA TRP 69 HA TRP 69 0.220 -4.773 -5.073 587 HB2 TRP 69 2HB TRP 69 1.721 -2.712 -4.841 588 HB3 TRP 69 1HB TRP 69 0.274 -1.848 -4.329 589 HD1 TRP 69 HD TRP 69 2.658 -4.629 -3.193 590 HE1 TRP 69 1HE TRP 69 2.363 -4.981 -0.664 591 HE3 TRP 69 3HE TRP 69 -1.366 -1.564 -2.402 592 HZ2 TRP 69 2HZ TRP 69 0.664 -4.081 1.393 593 HZ3 TRP 69 3HZ TRP 69 -2.259 -1.366 -0.115 594 HH2 TRP 69 HH TRP 69 -1.263 -2.600 1.740 595 H PHE 70 H PHE 70 -1.720 -1.912 -5.799 596 HA PHE 70 HA PHE 70 -3.782 -2.333 -3.946 597 HB2 PHE 70 2HB PHE 70 -3.730 -0.204 -4.940 598 HB3 PHE 70 1HB PHE 70 -3.604 -0.860 -6.568 599 HD1 PHE 70 2HD PHE 70 -5.933 -0.460 -3.709 600 HD2 PHE 70 1HD PHE 70 -5.490 -1.187 -7.877 601 HE1 PHE 70 2HE PHE 70 -8.364 -0.224 -4.011 602 HE2 PHE 70 1HE PHE 70 -7.914 -0.950 -8.185 603 HZ PHE 70 HZ PHE 70 -9.357 -0.468 -6.251 604 H GLN 71 H GLN 71 -3.392 -3.500 -7.278 605 HA GLN 71 HA GLN 71 -5.976 -4.636 -7.477 606 HB2 GLN 71 2HB GLN 71 -4.333 -4.094 -9.363 607 HB3 GLN 71 1HB GLN 71 -3.551 -5.618 -8.967 608 HG2 GLN 71 2HG GLN 71 -5.046 -5.965 -10.805 609 HG3 GLN 71 1HG GLN 71 -5.697 -6.779 -9.382 610 HE21 GLN 71 1HE2 GLN 71 -6.062 -4.117 -11.584 611 HE22 GLN 71 2HE2 GLN 71 -7.680 -3.704 -11.128 612 H ASN 72 H ASN 72 -2.900 -5.848 -6.319 613 HA ASN 72 HA ASN 72 -3.658 -8.568 -6.090 614 HB2 ASN 72 2HB ASN 72 -1.397 -6.918 -5.056 615 HB3 ASN 72 1HB ASN 72 -1.712 -8.463 -4.273 616 HD21 ASN 72 1HD2 ASN 72 -0.782 -6.879 -7.225 617 HD22 ASN 72 2HD2 ASN 72 -0.128 -8.283 -8.002 618 H GLN 73 H GLN 73 -3.442 -5.933 -3.681 619 HA GLN 73 HA GLN 73 -4.508 -7.451 -1.556 620 HB2 GLN 73 2HB GLN 73 -4.722 -5.380 -0.364 621 HB3 GLN 73 1HB GLN 73 -3.250 -5.296 -1.309 622 HG2 GLN 73 2HG GLN 73 -4.120 -3.218 -1.654 623 HG3 GLN 73 1HG GLN 73 -4.775 -4.084 -3.042 624 HE21 GLN 73 1HE2 GLN 73 -6.533 -2.764 -3.285 625 HE22 GLN 73 2HE2 GLN 73 -7.841 -2.704 -2.157 626 H ARG 74 H ARG 74 -5.963 -5.665 -4.157 627 HA ARG 74 HA ARG 74 -8.632 -5.666 -3.216 628 HB2 ARG 74 2HB ARG 74 -7.751 -4.251 -5.075 629 HB3 ARG 74 1HB ARG 74 -7.647 -5.691 -6.076 630 HG2 ARG 74 2HG ARG 74 -10.093 -5.975 -5.846 631 HG3 ARG 74 1HG ARG 74 -10.150 -4.452 -4.953 632 HD2 ARG 74 2HD ARG 74 -9.095 -3.338 -6.908 633 HD3 ARG 74 1HD ARG 74 -9.224 -4.857 -7.791 634 HE ARG 74 HE ARG 74 -11.654 -3.616 -6.712 635 HH11 ARG 74 1HH1 ARG 74 -9.727 -4.644 -9.447 636 HH12 ARG 74 2HH1 ARG 74 -10.975 -4.311 -10.614 637 HH21 ARG 74 1HH2 ARG 74 -13.287 -3.167 -8.222 638 HH22 ARG 74 2HH2 ARG 74 -13.013 -3.466 -9.916 639 H MET 75 H MET 75 -6.795 -7.875 -5.325 640 HA MET 75 HA MET 75 -8.927 -9.696 -5.744 641 HB2 MET 75 2HB MET 75 -5.937 -10.070 -5.870 642 HB3 MET 75 1HB MET 75 -7.082 -11.334 -6.299 643 HG2 MET 75 2HG MET 75 -8.022 -9.834 -8.025 644 HG3 MET 75 1HG MET 75 -6.777 -8.650 -7.626 645 HE1 MET 75 3HE MET 75 -4.302 -10.595 -7.023 646 HE2 MET 75 1HE MET 75 -4.160 -9.101 -7.951 647 HE3 MET 75 2HE MET 75 -3.510 -10.609 -8.597 648 H LYS 76 H LYS 76 -6.442 -9.461 -3.247 649 HA LYS 76 HA LYS 76 -6.975 -11.886 -1.928 650 HB2 LYS 76 2HB LYS 76 -6.034 -9.258 -0.760 651 HB3 LYS 76 1HB LYS 76 -6.003 -10.796 0.083 652 HG2 LYS 76 2HG LYS 76 -4.463 -10.120 -2.412 653 HG3 LYS 76 1HG LYS 76 -3.807 -10.214 -0.777 654 HD2 LYS 76 2HD LYS 76 -4.485 -12.608 -0.706 655 HD3 LYS 76 1HD LYS 76 -4.987 -12.476 -2.393 656 HE2 LYS 76 2HE LYS 76 -2.778 -13.426 -2.310 657 HE3 LYS 76 1HE LYS 76 -2.678 -11.801 -2.983 658 HZ1 LYS 76 3HZ LYS 76 -0.911 -12.149 -1.405 659 HZ2 LYS 76 1HZ LYS 76 -2.018 -12.595 -0.195 660 HZ3 LYS 76 2HZ LYS 76 -1.994 -11.007 -0.778 661 H SER 77 H SER 77 -8.385 -8.669 -1.542 662 HA SER 77 HA SER 77 -10.035 -9.416 0.665 663 HB2 SER 77 2HB SER 77 -10.289 -7.006 -1.148 664 HB3 SER 77 1HB SER 77 -10.960 -7.182 0.475 665 HG SER 77 HG SER 77 -8.229 -6.999 -0.286 666 H LYS 78 H LYS 78 -10.337 -9.657 -2.742 667 HA LYS 78 HA LYS 78 -13.237 -9.725 -2.720 668 HB2 LYS 78 2HB LYS 78 -11.613 -8.763 -4.549 669 HB3 LYS 78 1HB LYS 78 -11.549 -10.429 -5.094 670 HG2 LYS 78 2HG LYS 78 -14.108 -8.880 -4.778 671 HG3 LYS 78 1HG LYS 78 -13.194 -8.968 -6.280 672 HD2 LYS 78 2HD LYS 78 -13.435 -11.433 -6.231 673 HD3 LYS 78 1HD LYS 78 -14.445 -11.274 -4.792 674 HE2 LYS 78 2HE LYS 78 -16.015 -9.878 -6.094 675 HE3 LYS 78 1HE LYS 78 -15.024 -10.141 -7.527 676 HZ1 LYS 78 3HZ LYS 78 -15.457 -12.536 -7.311 677 HZ2 LYS 78 1HZ LYS 78 -16.889 -11.645 -7.504 678 HZ3 LYS 78 2HZ LYS 78 -16.459 -12.232 -5.975 679 H ARG 79 H ARG 79 -10.537 -11.945 -3.342 680 HA ARG 79 HA ARG 79 -12.297 -14.194 -3.785 681 HB2 ARG 79 2HB ARG 79 -9.296 -14.123 -3.432 682 HB3 ARG 79 1HB ARG 79 -10.230 -15.495 -3.999 683 HG2 ARG 79 2HG ARG 79 -10.872 -14.260 -5.991 684 HG3 ARG 79 1HG ARG 79 -9.975 -12.852 -5.413 685 HD2 ARG 79 2HD ARG 79 -7.921 -14.279 -5.381 686 HD3 ARG 79 1HD ARG 79 -8.863 -15.551 -6.158 687 HE ARG 79 HE ARG 79 -9.140 -13.259 -7.709 688 HH11 ARG 79 1HH1 ARG 79 -6.638 -15.518 -6.751 689 HH12 ARG 79 2HH1 ARG 79 -5.653 -15.214 -8.149 690 HH21 ARG 79 1HH2 ARG 79 -7.862 -12.866 -9.557 691 HH22 ARG 79 2HH2 ARG 79 -6.354 -13.700 -9.752 692 H TRP 80 H TRP 80 -9.710 -13.523 -1.435 693 HA TRP 80 HA TRP 80 -10.365 -15.732 0.223 694 HB2 TRP 80 2HB TRP 80 -8.094 -14.743 0.056 695 HB3 TRP 80 1HB TRP 80 -8.687 -13.283 0.829 696 HD1 TRP 80 HD TRP 80 -8.793 -13.252 3.435 697 HE1 TRP 80 1HE TRP 80 -8.062 -14.905 5.270 698 HE3 TRP 80 3HE TRP 80 -7.946 -17.364 0.514 699 HZ2 TRP 80 2HZ TRP 80 -7.244 -17.603 5.447 700 HZ3 TRP 80 3HZ TRP 80 -7.187 -19.440 1.595 701 HH2 TRP 80 HH TRP 80 -6.843 -19.555 4.011 702 H GLN 81 H GLN 81 -11.267 -15.716 2.312 703 HA GLN 81 HA GLN 81 -13.341 -13.749 2.695 704 HB2 GLN 81 2HB GLN 81 -13.708 -16.177 3.098 705 HB3 GLN 81 1HB GLN 81 -12.578 -16.096 4.442 706 HG2 GLN 81 2HG GLN 81 -14.046 -14.547 5.603 707 HG3 GLN 81 1HG GLN 81 -15.166 -14.572 4.242 708 HE21 GLN 81 1HE2 GLN 81 -15.602 -15.351 7.033 709 HE22 GLN 81 2HE2 GLN 81 -16.130 -16.996 6.987 710 H LYS 82 H LYS 82 -12.127 -11.889 3.062 711 HA LYS 82 HA LYS 82 -10.384 -11.798 5.396 712 HB2 LYS 82 2HB LYS 82 -9.523 -10.737 3.422 713 HB3 LYS 82 1HB LYS 82 -11.001 -9.818 3.199 714 HG2 LYS 82 2HG LYS 82 -10.510 -8.398 5.018 715 HG3 LYS 82 1HG LYS 82 -9.218 -9.458 5.590 716 HD2 LYS 82 2HD LYS 82 -7.889 -8.952 3.631 717 HD3 LYS 82 1HD LYS 82 -9.202 -7.988 2.955 718 HE2 LYS 82 2HE LYS 82 -8.016 -7.326 5.625 719 HE3 LYS 82 1HE LYS 82 -7.248 -6.783 4.137 720 HZ1 LYS 82 3HZ LYS 82 -8.824 -5.166 5.168 721 HZ2 LYS 82 1HZ LYS 82 -10.096 -6.225 4.797 722 HZ3 LYS 82 2HZ LYS 82 -9.164 -5.546 3.553 723 H ASN 83 H ASN 83 -13.436 -10.578 4.215 724 HA ASN 83 HA ASN 83 -15.220 -9.604 5.204 725 HB2 ASN 83 2HB ASN 83 -15.123 -11.433 6.830 726 HB3 ASN 83 1HB ASN 83 -13.937 -10.550 7.780 727 HD21 ASN 83 1HD2 ASN 83 -14.601 -8.923 9.134 728 HD22 ASN 83 2HD2 ASN 83 -16.268 -8.575 9.454 729 H ASN 84 H ASN 84 -14.692 -7.578 4.506 730 HA ASN 84 HA ASN 84 -14.234 -5.363 4.633 731 HB2 ASN 84 2HB ASN 84 -14.581 -5.864 7.600 732 HB3 ASN 84 1HB ASN 84 -14.533 -4.274 6.843 733 HD21 ASN 84 1HD2 ASN 84 -16.618 -5.669 8.386 734 HD22 ASN 84 2HD2 ASN 84 -18.032 -5.648 7.381 Start of MODEL 7 1 H1 SER 1 H1 SER 1 -5.001 12.849 -3.299 2 H2 SER 1 H2 SER 1 -6.404 11.922 -3.505 3 H3 SER 1 H3 SER 1 -6.491 13.414 -2.712 4 HA SER 1 HA SER 1 -5.744 13.012 -5.543 5 HB2 SER 1 2HB SER 1 -8.277 14.326 -4.587 6 HB3 SER 1 1HB SER 1 -7.919 13.613 -6.162 7 HG SER 1 HG SER 1 -9.314 12.395 -4.601 8 H LYS 2 H LYS 2 -6.498 15.256 -2.895 9 HA LYS 2 HA LYS 2 -4.420 16.996 -3.901 10 HB2 LYS 2 2HB LYS 2 -5.834 19.039 -3.703 11 HB3 LYS 2 1HB LYS 2 -6.285 17.987 -5.033 12 HG2 LYS 2 2HG LYS 2 -8.191 17.175 -3.817 13 HG3 LYS 2 1HG LYS 2 -7.699 18.069 -2.375 14 HD2 LYS 2 2HD LYS 2 -8.008 20.171 -3.539 15 HD3 LYS 2 1HD LYS 2 -8.402 19.315 -5.029 16 HE2 LYS 2 2HE LYS 2 -10.390 18.382 -3.990 17 HE3 LYS 2 1HE LYS 2 -9.980 19.168 -2.466 18 HZ1 LYS 2 3HZ LYS 2 -11.676 20.315 -3.914 19 HZ2 LYS 2 1HZ LYS 2 -10.402 20.702 -4.965 20 HZ3 LYS 2 2HZ LYS 2 -10.390 21.279 -3.368 21 H GLN 3 H GLN 3 -3.144 17.148 -2.241 22 HA GLN 3 HA GLN 3 -2.316 17.572 -0.184 23 HB2 GLN 3 2HB GLN 3 -3.590 19.670 -0.354 24 HB3 GLN 3 1HB GLN 3 -4.995 18.872 0.343 25 HG2 GLN 3 2HG GLN 3 -3.734 18.479 2.408 26 HG3 GLN 3 1HG GLN 3 -2.348 19.313 1.706 27 HE21 GLN 3 1HE2 GLN 3 -2.359 20.848 3.344 28 HE22 GLN 3 2HE2 GLN 3 -3.548 22.105 3.421 29 HA PRO 4 HA PRO 4 -4.335 13.933 1.722 30 HB2 PRO 4 2HB PRO 4 -2.115 12.438 1.939 31 HB3 PRO 4 1HB PRO 4 -2.999 12.570 0.415 32 HG2 PRO 4 2HG PRO 4 -0.482 13.934 1.272 33 HG3 PRO 4 1HG PRO 4 -0.910 13.260 -0.311 34 HD2 PRO 4 2HD PRO 4 -1.056 15.942 0.354 35 HD3 PRO 4 1HD PRO 4 -1.968 15.173 -0.960 36 H THR 5 H THR 5 -3.170 12.599 3.685 37 HA THR 5 HA THR 5 -2.710 12.592 5.883 38 HB THR 5 HB THR 5 -0.766 13.969 6.672 39 HG1 THR 5 1HG THR 5 -1.273 15.367 4.481 40 HG21 THR 5 3HG2 THR 5 -0.466 11.712 5.822 41 HG22 THR 5 1HG2 THR 5 0.887 12.735 5.342 42 HG23 THR 5 2HG2 THR 5 -0.367 12.324 4.172 43 H SER 6 H SER 6 -4.298 13.160 7.147 44 HA SER 6 HA SER 6 -5.345 15.851 7.155 45 HB2 SER 6 2HB SER 6 -6.141 13.437 8.808 46 HB3 SER 6 1HB SER 6 -7.053 14.942 8.675 47 HG SER 6 HG SER 6 -6.854 14.349 6.249 48 H ALA 7 H ALA 7 -3.695 17.090 8.012 49 HA ALA 7 HA ALA 7 -2.772 18.356 9.630 50 HB1 ALA 7 1HB ALA 7 -5.006 18.250 10.659 51 HB2 ALA 7 2HB ALA 7 -3.704 18.390 11.841 52 HB3 ALA 7 3HB ALA 7 -4.490 16.834 11.577 53 H GLU 8 H GLU 8 -0.784 17.344 9.148 54 HA GLU 8 HA GLU 8 1.244 16.582 9.776 55 HB2 GLU 8 2HB GLU 8 0.059 16.470 12.552 56 HB3 GLU 8 1HB GLU 8 1.769 16.410 12.159 57 HG2 GLU 8 2HG GLU 8 -0.074 18.734 11.645 58 HG3 GLU 8 1HG GLU 8 1.102 18.613 12.952 59 H ASN 9 H ASN 9 0.368 14.713 8.479 60 HA ASN 9 HA ASN 9 0.467 12.479 8.056 61 HB2 ASN 9 2HB ASN 9 2.582 12.716 9.414 62 HB3 ASN 9 1HB ASN 9 1.668 12.197 10.821 63 HD21 ASN 9 1HD2 ASN 9 1.226 10.903 7.583 64 HD22 ASN 9 2HD2 ASN 9 1.840 9.326 7.933 65 H SER 10 H SER 10 -0.091 10.203 9.337 66 HA SER 10 HA SER 10 -2.846 10.422 10.040 67 HB2 SER 10 2HB SER 10 -1.093 8.001 10.453 68 HB3 SER 10 1HB SER 10 -2.823 8.050 10.110 69 HG SER 10 HG SER 10 -2.418 8.602 8.022 70 H VAL 11 H VAL 11 -3.509 11.112 11.993 71 HA VAL 11 HA VAL 11 -1.746 11.030 14.256 72 HB VAL 11 HB VAL 11 -3.698 12.015 15.505 73 HG11 VAL 11 1HG1 VAL 11 -1.937 13.417 14.605 74 HG12 VAL 11 2HG1 VAL 11 -3.496 14.214 14.390 75 HG13 VAL 11 3HG1 VAL 11 -2.713 13.423 13.022 76 HG21 VAL 11 3HG2 VAL 11 -5.502 11.166 14.083 77 HG22 VAL 11 1HG2 VAL 11 -4.907 12.143 12.739 78 HG23 VAL 11 2HG2 VAL 11 -5.545 12.926 14.185 79 H ALA 12 H ALA 12 -1.402 9.202 15.220 80 HA ALA 12 HA ALA 12 -1.701 7.392 16.521 81 HB1 ALA 12 1HB ALA 12 -4.587 8.240 16.669 82 HB2 ALA 12 2HB ALA 12 -3.302 8.754 17.761 83 HB3 ALA 12 3HB ALA 12 -3.795 7.061 17.715 84 H LYS 13 H LYS 13 -2.797 5.223 16.600 85 HA LYS 13 HA LYS 13 -3.559 3.313 15.633 86 HB2 LYS 13 2HB LYS 13 -5.607 4.805 15.350 87 HB3 LYS 13 1HB LYS 13 -5.081 5.053 13.694 88 HG2 LYS 13 2HG LYS 13 -6.708 3.379 13.578 89 HG3 LYS 13 1HG LYS 13 -5.170 2.528 13.439 90 HD2 LYS 13 2HD LYS 13 -6.609 2.846 16.065 91 HD3 LYS 13 1HD LYS 13 -6.933 1.503 14.969 92 HE2 LYS 13 2HE LYS 13 -4.609 0.805 15.110 93 HE3 LYS 13 1HE LYS 13 -4.238 2.185 16.142 94 HZ1 LYS 13 3HZ LYS 13 -4.537 0.157 17.426 95 HZ2 LYS 13 1HZ LYS 13 -6.115 -0.020 16.820 96 HZ3 LYS 13 2HZ LYS 13 -5.727 1.300 17.815 97 H LYS 14 H LYS 14 -1.196 4.783 14.606 98 HA LYS 14 HA LYS 14 -1.027 4.365 11.785 99 HB2 LYS 14 2HB LYS 14 1.350 4.945 12.073 100 HB3 LYS 14 1HB LYS 14 0.314 6.092 12.912 101 HG2 LYS 14 2HG LYS 14 0.771 4.992 15.030 102 HG3 LYS 14 1HG LYS 14 1.762 3.789 14.209 103 HD2 LYS 14 2HD LYS 14 2.339 6.748 14.177 104 HD3 LYS 14 1HD LYS 14 3.040 5.624 15.340 105 HE2 LYS 14 2HE LYS 14 3.332 5.423 12.344 106 HE3 LYS 14 1HE LYS 14 4.533 6.119 13.428 107 HZ1 LYS 14 3HZ LYS 14 5.228 3.931 13.052 108 HZ2 LYS 14 1HZ LYS 14 3.668 3.294 13.232 109 HZ3 LYS 14 2HZ LYS 14 4.506 3.871 14.584 110 H GLU 15 H GLU 15 0.180 2.783 10.673 111 HA GLU 15 HA GLU 15 0.540 0.230 11.804 112 HB2 GLU 15 2HB GLU 15 1.504 1.583 9.317 113 HB3 GLU 15 1HB GLU 15 2.295 0.091 9.809 114 HG2 GLU 15 2HG GLU 15 -0.676 0.354 9.429 115 HG3 GLU 15 1HG GLU 15 0.435 -0.182 8.168 116 H ASP 16 H ASP 16 1.880 -0.262 13.381 117 HA ASP 16 HA ASP 16 4.447 1.165 13.542 118 HB2 ASP 16 2HB ASP 16 2.683 1.884 15.244 119 HB3 ASP 16 1HB ASP 16 2.853 0.279 15.947 120 H LYS 17 H LYS 17 5.498 -0.532 12.519 121 HA LYS 17 HA LYS 17 5.835 -2.934 14.167 122 HB2 LYS 17 2HB LYS 17 5.261 -2.885 11.198 123 HB3 LYS 17 1HB LYS 17 5.820 -4.309 12.069 124 HG2 LYS 17 2HG LYS 17 3.829 -4.525 13.247 125 HG3 LYS 17 1HG LYS 17 3.352 -2.855 12.934 126 HD2 LYS 17 2HD LYS 17 3.048 -3.417 10.552 127 HD3 LYS 17 1HD LYS 17 3.478 -5.093 10.906 128 HE2 LYS 17 2HE LYS 17 1.561 -5.329 12.347 129 HE3 LYS 17 1HE LYS 17 1.174 -3.617 12.173 130 HZ1 LYS 17 3HZ LYS 17 -0.208 -5.083 10.780 131 HZ2 LYS 17 1HZ LYS 17 1.182 -5.573 9.937 132 HZ3 LYS 17 2HZ LYS 17 0.676 -3.953 9.868 133 H VAL 18 H VAL 18 7.872 -2.570 14.807 134 HA VAL 18 HA VAL 18 9.886 -2.089 12.705 135 HB VAL 18 HB VAL 18 10.110 -1.062 15.535 136 HG11 VAL 18 1HG1 VAL 18 11.883 0.352 14.581 137 HG12 VAL 18 2HG1 VAL 18 11.643 -0.427 13.017 138 HG13 VAL 18 3HG1 VAL 18 12.225 -1.368 14.389 139 HG21 VAL 18 3HG2 VAL 18 8.216 0.040 14.458 140 HG22 VAL 18 1HG2 VAL 18 9.236 0.473 13.089 141 HG23 VAL 18 2HG2 VAL 18 9.561 1.159 14.681 142 HA PRO 19 HA PRO 19 11.042 -5.935 14.913 143 HB2 PRO 19 2HB PRO 19 11.679 -7.388 12.732 144 HB3 PRO 19 1HB PRO 19 10.011 -7.198 13.287 145 HG2 PRO 19 2HG PRO 19 11.422 -5.869 11.027 146 HG3 PRO 19 1HG PRO 19 9.731 -6.380 11.154 147 HD2 PRO 19 2HD PRO 19 10.665 -3.783 11.486 148 HD3 PRO 19 1HD PRO 19 9.098 -4.392 12.049 149 H VAL 20 H VAL 20 12.886 -5.043 15.834 150 HA VAL 20 HA VAL 20 15.300 -5.136 14.170 151 HB VAL 20 HB VAL 20 15.044 -3.476 16.675 152 HG11 VAL 20 1HG1 VAL 20 16.899 -3.314 14.301 153 HG12 VAL 20 2HG1 VAL 20 17.308 -3.919 15.906 154 HG13 VAL 20 3HG1 VAL 20 16.905 -2.217 15.681 155 HG21 VAL 20 3HG2 VAL 20 14.601 -1.526 15.262 156 HG22 VAL 20 1HG2 VAL 20 13.305 -2.717 15.147 157 HG23 VAL 20 2HG2 VAL 20 14.492 -2.575 13.849 158 H LYS 21 H LYS 21 14.073 -7.327 15.587 159 HA LYS 21 HA LYS 21 16.116 -7.832 17.649 160 HB2 LYS 21 2HB LYS 21 13.359 -9.066 17.442 161 HB3 LYS 21 1HB LYS 21 14.537 -9.374 18.711 162 HG2 LYS 21 2HG LYS 21 13.175 -6.746 18.145 163 HG3 LYS 21 1HG LYS 21 12.826 -7.841 19.485 164 HD2 LYS 21 2HD LYS 21 15.010 -7.476 20.423 165 HD3 LYS 21 1HD LYS 21 15.502 -6.535 19.016 166 HE2 LYS 21 2HE LYS 21 14.957 -5.086 20.907 167 HE3 LYS 21 1HE LYS 21 13.859 -4.822 19.556 168 HZ1 LYS 21 3HZ LYS 21 12.799 -4.936 21.802 169 HZ2 LYS 21 1HZ LYS 21 13.209 -6.579 21.857 170 HZ3 LYS 21 2HZ LYS 21 12.149 -6.008 20.658 171 H LYS 22 H LYS 22 13.909 -10.010 15.935 172 HA LYS 22 HA LYS 22 16.171 -11.146 14.485 173 HB2 LYS 22 2HB LYS 22 16.033 -12.641 16.353 174 HB3 LYS 22 1HB LYS 22 14.280 -12.726 16.235 175 HG2 LYS 22 2HG LYS 22 14.502 -13.844 14.054 176 HG3 LYS 22 1HG LYS 22 16.254 -13.813 14.237 177 HD2 LYS 22 2HD LYS 22 16.177 -15.299 16.082 178 HD3 LYS 22 1HD LYS 22 14.426 -15.119 16.237 179 HE2 LYS 22 2HE LYS 22 14.066 -16.263 14.157 180 HE3 LYS 22 1HE LYS 22 15.795 -16.297 13.823 181 HZ1 LYS 22 3HZ LYS 22 16.143 -17.840 15.553 182 HZ2 LYS 22 1HZ LYS 22 14.815 -18.413 14.669 183 HZ3 LYS 22 2HZ LYS 22 14.570 -17.649 16.166 184 H GLN 23 H GLN 23 15.573 -10.698 12.467 185 HA GLN 23 HA GLN 23 13.619 -12.200 11.173 186 HB2 GLN 23 2HB GLN 23 12.115 -10.559 12.442 187 HB3 GLN 23 1HB GLN 23 12.737 -9.322 11.358 188 HG2 GLN 23 2HG GLN 23 11.900 -10.589 9.439 189 HG3 GLN 23 1HG GLN 23 11.259 -11.812 10.535 190 HE21 GLN 23 1HE2 GLN 23 10.855 -8.636 9.240 191 HE22 GLN 23 2HE2 GLN 23 9.287 -8.338 9.901 192 H LYS 24 H LYS 24 15.672 -12.331 10.018 193 HA LYS 24 HA LYS 24 16.449 -10.030 8.449 194 HB2 LYS 24 2HB LYS 24 17.438 -12.888 8.365 195 HB3 LYS 24 1HB LYS 24 18.134 -11.550 7.464 196 HG2 LYS 24 2HG LYS 24 18.627 -10.431 9.629 197 HG3 LYS 24 1HG LYS 24 18.073 -11.890 10.453 198 HD2 LYS 24 2HD LYS 24 19.797 -13.187 9.297 199 HD3 LYS 24 1HD LYS 24 20.349 -11.726 8.478 200 HE2 LYS 24 2HE LYS 24 20.805 -10.726 10.710 201 HE3 LYS 24 1HE LYS 24 20.396 -12.275 11.441 202 HZ1 LYS 24 3HZ LYS 24 22.767 -12.078 11.201 203 HZ2 LYS 24 1HZ LYS 24 22.616 -11.760 9.542 204 HZ3 LYS 24 2HZ LYS 24 22.204 -13.287 10.150 205 H THR 25 H THR 25 14.936 -9.489 6.999 206 HA THR 25 HA THR 25 13.666 -11.625 5.433 207 HB THR 25 HB THR 25 12.803 -8.743 5.448 208 HG1 THR 25 1HG THR 25 13.007 -9.951 7.636 209 HG21 THR 25 3HG2 THR 25 11.319 -11.348 5.084 210 HG22 THR 25 1HG2 THR 25 11.793 -10.242 3.795 211 HG23 THR 25 2HG2 THR 25 10.606 -9.737 4.999 212 H ARG 26 H ARG 26 13.510 -11.426 3.149 213 HA ARG 26 HA ARG 26 15.810 -10.398 1.871 214 HB2 ARG 26 2HB ARG 26 13.186 -11.334 0.697 215 HB3 ARG 26 1HB ARG 26 14.648 -11.021 -0.231 216 HG2 ARG 26 2HG ARG 26 14.343 -13.094 1.934 217 HG3 ARG 26 1HG ARG 26 14.372 -13.400 0.195 218 HD2 ARG 26 2HD ARG 26 16.632 -12.668 0.027 219 HD3 ARG 26 1HD ARG 26 16.617 -12.053 1.679 220 HE ARG 26 HE ARG 26 16.091 -14.712 1.966 221 HH11 ARG 26 1HH1 ARG 26 18.590 -12.904 0.308 222 HH12 ARG 26 2HH1 ARG 26 19.834 -14.073 0.621 223 HH21 ARG 26 1HH2 ARG 26 17.735 -16.268 2.391 224 HH22 ARG 26 2HH2 ARG 26 19.352 -15.985 1.796 225 H THR 27 H THR 27 12.413 -9.466 1.271 226 HA THR 27 HA THR 27 13.162 -6.663 1.437 227 HB THR 27 HB THR 27 11.636 -6.459 -0.755 228 HG1 THR 27 1HG THR 27 13.209 -8.515 -1.708 229 HG21 THR 27 3HG2 THR 27 14.620 -6.935 -0.746 230 HG22 THR 27 1HG2 THR 27 13.807 -5.398 -0.458 231 HG23 THR 27 2HG2 THR 27 13.715 -6.161 -2.045 232 H VAL 28 H VAL 28 11.501 -5.312 1.946 233 HA VAL 28 HA VAL 28 8.760 -6.232 2.091 234 HB VAL 28 HB VAL 28 8.603 -5.551 4.549 235 HG11 VAL 28 1HG1 VAL 28 9.224 -7.753 5.392 236 HG12 VAL 28 2HG1 VAL 28 10.118 -8.070 3.905 237 HG13 VAL 28 3HG1 VAL 28 8.366 -7.867 3.856 238 HG21 VAL 28 3HG2 VAL 28 11.583 -5.983 4.406 239 HG22 VAL 28 1HG2 VAL 28 10.648 -5.851 5.898 240 HG23 VAL 28 2HG2 VAL 28 10.751 -4.478 4.795 241 H PHE 29 H PHE 29 7.376 -4.435 3.072 242 HA PHE 29 HA PHE 29 8.369 -1.850 2.178 243 HB2 PHE 29 2HB PHE 29 5.633 -2.864 2.951 244 HB3 PHE 29 1HB PHE 29 5.960 -1.159 2.687 245 HD1 PHE 29 1HD PHE 29 6.573 -0.345 0.450 246 HD2 PHE 29 2HD PHE 29 5.449 -4.394 1.131 247 HE1 PHE 29 1HE PHE 29 6.211 -0.650 -1.967 248 HE2 PHE 29 2HE PHE 29 5.084 -4.703 -1.281 249 HZ PHE 29 HZ PHE 29 5.467 -2.832 -2.834 250 H SER 30 H SER 30 8.354 -0.017 3.525 251 HA SER 30 HA SER 30 9.199 -0.581 6.195 252 HB2 SER 30 2HB SER 30 8.655 2.156 5.053 253 HB3 SER 30 1HB SER 30 9.823 1.699 6.294 254 HG SER 30 HG SER 30 10.502 0.265 4.240 255 H SER 31 H SER 31 8.306 0.317 8.126 256 HA SER 31 HA SER 31 5.541 -0.056 8.407 257 HB2 SER 31 2HB SER 31 7.258 -0.284 10.230 258 HB3 SER 31 1HB SER 31 7.357 1.474 10.287 259 HG SER 31 HG SER 31 4.910 1.226 10.577 260 H THR 32 H THR 32 7.453 2.773 7.710 261 HA THR 32 HA THR 32 5.425 4.710 8.200 262 HB THR 32 HB THR 32 6.934 6.141 6.705 263 HG1 THR 32 1HG THR 32 8.839 5.262 6.040 264 HG21 THR 32 3HG2 THR 32 7.067 6.186 9.151 265 HG22 THR 32 1HG2 THR 32 8.668 6.338 8.426 266 HG23 THR 32 2HG2 THR 32 8.158 4.799 9.120 267 H GLN 33 H GLN 33 6.661 3.108 5.292 268 HA GLN 33 HA GLN 33 4.961 4.372 3.447 269 HB2 GLN 33 2HB GLN 33 6.377 1.705 3.316 270 HB3 GLN 33 1HB GLN 33 5.545 2.444 1.955 271 HG2 GLN 33 2HG GLN 33 7.056 4.401 2.164 272 HG3 GLN 33 1HG GLN 33 7.943 3.530 3.413 273 HE21 GLN 33 1HE2 GLN 33 9.325 1.877 2.829 274 HE22 GLN 33 2HE2 GLN 33 9.727 1.529 1.182 275 H LEU 34 H LEU 34 4.630 1.382 5.301 276 HA LEU 34 HA LEU 34 2.195 0.521 4.167 277 HB2 LEU 34 2HB LEU 34 3.366 0.069 6.913 278 HB3 LEU 34 1HB LEU 34 1.930 -0.745 6.319 279 HG LEU 34 HG LEU 34 4.679 -0.961 5.086 280 HD11 LEU 34 1HD1 LEU 34 3.126 -2.887 6.808 281 HD12 LEU 34 2HD1 LEU 34 4.610 -2.043 7.253 282 HD13 LEU 34 3HD1 LEU 34 4.634 -3.254 5.969 283 HD21 LEU 34 3HD2 LEU 34 3.670 -2.797 3.797 284 HD22 LEU 34 1HD2 LEU 34 2.922 -1.240 3.440 285 HD23 LEU 34 2HD2 LEU 34 2.096 -2.396 4.482 286 H CYS 35 H CYS 35 2.934 2.803 6.728 287 HA CYS 35 HA CYS 35 0.314 3.106 7.721 288 HB2 CYS 35 2HB CYS 35 2.368 3.896 8.884 289 HB3 CYS 35 1HB CYS 35 2.531 5.166 7.677 290 HG CYS 35 HG CYS 35 -0.231 6.036 8.449 291 H VAL 36 H VAL 36 2.058 4.639 5.067 292 HA VAL 36 HA VAL 36 0.117 6.614 4.470 293 HB VAL 36 HB VAL 36 2.077 5.320 2.559 294 HG11 VAL 36 1HG1 VAL 36 1.895 7.432 1.315 295 HG12 VAL 36 2HG1 VAL 36 0.665 7.988 2.451 296 HG13 VAL 36 3HG1 VAL 36 0.346 6.596 1.418 297 HG21 VAL 36 3HG2 VAL 36 3.563 7.194 3.105 298 HG22 VAL 36 1HG2 VAL 36 3.225 6.191 4.517 299 HG23 VAL 36 2HG2 VAL 36 2.411 7.743 4.323 300 H LEU 37 H LEU 37 0.578 3.291 3.416 301 HA LEU 37 HA LEU 37 -1.479 3.250 1.470 302 HB2 LEU 37 2HB LEU 37 -0.371 0.951 3.094 303 HB3 LEU 37 1HB LEU 37 -1.303 0.815 1.615 304 HG LEU 37 HG LEU 37 1.434 2.073 1.829 305 HD11 LEU 37 1HD1 LEU 37 1.486 -0.343 2.182 306 HD12 LEU 37 2HD1 LEU 37 2.216 0.100 0.640 307 HD13 LEU 37 3HD1 LEU 37 0.591 -0.584 0.682 308 HD21 LEU 37 3HD2 LEU 37 -0.270 1.441 -0.577 309 HD22 LEU 37 1HD2 LEU 37 1.382 2.060 -0.611 310 HD23 LEU 37 2HD2 LEU 37 0.083 3.050 0.052 311 H ASN 38 H ASN 38 -1.354 2.410 4.892 312 HA ASN 38 HA ASN 38 -4.039 1.537 5.134 313 HB2 ASN 38 2HB ASN 38 -2.361 0.946 6.809 314 HB3 ASN 38 1HB ASN 38 -2.130 2.644 7.214 315 HD21 ASN 38 1HD2 ASN 38 -4.246 -0.104 7.472 316 HD22 ASN 38 2HD2 ASN 38 -5.256 0.538 8.717 317 H ASP 39 H ASP 39 -2.463 4.657 5.674 318 HA ASP 39 HA ASP 39 -4.624 6.109 6.623 319 HB2 ASP 39 2HB ASP 39 -2.304 6.965 6.536 320 HB3 ASP 39 1HB ASP 39 -2.427 7.086 4.784 321 H ARG 40 H ARG 40 -3.652 5.412 3.309 322 HA ARG 40 HA ARG 40 -5.527 6.909 1.913 323 HB2 ARG 40 2HB ARG 40 -3.803 4.622 1.369 324 HB3 ARG 40 1HB ARG 40 -5.302 4.560 0.454 325 HG2 ARG 40 2HG ARG 40 -3.452 5.656 -0.750 326 HG3 ARG 40 1HG ARG 40 -4.859 6.694 -0.536 327 HD2 ARG 40 2HD ARG 40 -3.796 7.956 1.152 328 HD3 ARG 40 1HD ARG 40 -2.512 6.760 1.342 329 HE ARG 40 HE ARG 40 -1.486 7.569 -0.574 330 HH11 ARG 40 1HH1 ARG 40 -4.473 9.307 0.066 331 HH12 ARG 40 2HH1 ARG 40 -4.154 10.511 -1.151 332 HH21 ARG 40 1HH2 ARG 40 -1.105 9.175 -2.160 333 HH22 ARG 40 2HH2 ARG 40 -2.279 10.439 -2.393 334 H PHE 41 H PHE 41 -5.776 3.589 3.127 335 HA PHE 41 HA PHE 41 -8.466 3.255 2.224 336 HB2 PHE 41 2HB PHE 41 -6.665 1.625 4.002 337 HB3 PHE 41 1HB PHE 41 -8.343 1.171 3.704 338 HD1 PHE 41 1HD PHE 41 -8.839 1.704 0.999 339 HD2 PHE 41 2HD PHE 41 -5.251 0.271 2.775 340 HE1 PHE 41 1HE PHE 41 -8.208 0.689 -1.123 341 HE2 PHE 41 2HE PHE 41 -4.606 -0.766 0.636 342 HZ PHE 41 HZ PHE 41 -6.087 -0.563 -1.321 343 H GLN 42 H GLN 42 -7.034 4.578 5.095 344 HA GLN 42 HA GLN 42 -9.479 4.314 6.640 345 HB2 GLN 42 2HB GLN 42 -6.908 5.770 7.263 346 HB3 GLN 42 1HB GLN 42 -8.269 5.623 8.367 347 HG2 GLN 42 2HG GLN 42 -6.533 3.408 7.304 348 HG3 GLN 42 1HG GLN 42 -6.634 3.997 8.964 349 HE21 GLN 42 1HE2 GLN 42 -8.398 3.422 10.230 350 HE22 GLN 42 2HE2 GLN 42 -9.482 2.144 9.788 351 H ARG 43 H ARG 43 -7.979 6.701 4.601 352 HA ARG 43 HA ARG 43 -9.817 8.776 5.448 353 HB2 ARG 43 2HB ARG 43 -7.844 8.698 3.157 354 HB3 ARG 43 1HB ARG 43 -8.778 10.107 3.634 355 HG2 ARG 43 2HG ARG 43 -6.884 8.710 5.502 356 HG3 ARG 43 1HG ARG 43 -6.385 10.010 4.426 357 HD2 ARG 43 2HD ARG 43 -6.860 10.879 6.643 358 HD3 ARG 43 1HD ARG 43 -8.026 11.500 5.478 359 HE ARG 43 HE ARG 43 -9.015 9.160 6.730 360 HH11 ARG 43 1HH1 ARG 43 -8.397 12.545 7.368 361 HH12 ARG 43 2HH1 ARG 43 -9.702 12.698 8.510 362 HH21 ARG 43 1HH2 ARG 43 -10.736 9.354 8.216 363 HH22 ARG 43 2HH2 ARG 43 -11.045 10.881 8.991 364 H GLN 44 H GLN 44 -9.344 6.670 2.647 365 HA GLN 44 HA GLN 44 -12.154 7.159 1.899 366 HB2 GLN 44 2HB GLN 44 -9.847 6.728 -0.020 367 HB3 GLN 44 1HB GLN 44 -11.537 6.864 -0.471 368 HG2 GLN 44 2HG GLN 44 -10.669 8.946 -0.968 369 HG3 GLN 44 1HG GLN 44 -11.441 9.189 0.596 370 HE21 GLN 44 1HE2 GLN 44 -8.422 7.493 0.321 371 HE22 GLN 44 2HE2 GLN 44 -7.430 8.727 1.018 372 H LYS 45 H LYS 45 -13.283 5.289 1.180 373 HA LYS 45 HA LYS 45 -12.434 2.927 2.469 374 HB2 LYS 45 2HB LYS 45 -14.413 1.874 1.590 375 HB3 LYS 45 1HB LYS 45 -14.811 3.510 2.088 376 HG2 LYS 45 2HG LYS 45 -14.803 4.252 -0.213 377 HG3 LYS 45 1HG LYS 45 -14.293 2.650 -0.752 378 HD2 LYS 45 2HD LYS 45 -16.901 3.356 0.597 379 HD3 LYS 45 1HD LYS 45 -16.677 2.897 -1.093 380 HE2 LYS 45 2HE LYS 45 -15.882 0.695 -0.384 381 HE3 LYS 45 1HE LYS 45 -16.104 1.153 1.301 382 HZ1 LYS 45 3HZ LYS 45 -18.179 0.704 -0.763 383 HZ2 LYS 45 1HZ LYS 45 -18.516 1.517 0.689 384 HZ3 LYS 45 2HZ LYS 45 -17.981 -0.090 0.722 385 H TYR 46 H TYR 46 -11.908 4.105 -0.729 386 HA TYR 46 HA TYR 46 -10.125 1.867 -1.242 387 HB2 TYR 46 2HB TYR 46 -12.371 2.659 -3.103 388 HB3 TYR 46 1HB TYR 46 -10.970 1.742 -3.633 389 HD1 TYR 46 2HD TYR 46 -10.490 -0.400 -2.072 390 HD2 TYR 46 1HD TYR 46 -14.275 1.468 -2.610 391 HE1 TYR 46 2HE TYR 46 -11.612 -2.500 -1.444 392 HE2 TYR 46 1HE TYR 46 -15.402 -0.620 -1.981 393 HH TYR 46 HH TYR 46 -13.675 -3.331 -0.674 394 H LEU 47 H LEU 47 -8.937 2.381 -3.447 395 HA LEU 47 HA LEU 47 -8.427 5.264 -3.506 396 HB2 LEU 47 2HB LEU 47 -6.285 4.622 -4.669 397 HB3 LEU 47 1HB LEU 47 -6.397 4.208 -2.978 398 HG LEU 47 HG LEU 47 -7.211 1.884 -4.030 399 HD11 LEU 47 1HD1 LEU 47 -5.877 1.344 -5.999 400 HD12 LEU 47 2HD1 LEU 47 -5.304 3.010 -6.076 401 HD13 LEU 47 3HD1 LEU 47 -7.010 2.651 -6.340 402 HD21 LEU 47 3HD2 LEU 47 -5.396 2.174 -2.434 403 HD22 LEU 47 1HD2 LEU 47 -4.341 2.759 -3.723 404 HD23 LEU 47 2HD2 LEU 47 -4.914 1.092 -3.738 405 H SER 48 H SER 48 -8.988 6.387 -5.197 406 HA SER 48 HA SER 48 -10.154 5.113 -7.492 407 HB2 SER 48 2HB SER 48 -9.663 8.053 -6.979 408 HB3 SER 48 1HB SER 48 -10.768 7.352 -8.161 409 HG SER 48 HG SER 48 -10.955 7.200 -5.331 410 H LEU 49 H LEU 49 -9.518 6.650 -9.574 411 HA LEU 49 HA LEU 49 -7.025 5.514 -10.371 412 HB2 LEU 49 2HB LEU 49 -9.055 5.955 -11.838 413 HB3 LEU 49 1HB LEU 49 -8.609 7.649 -11.806 414 HG LEU 49 HG LEU 49 -6.421 7.031 -12.845 415 HD11 LEU 49 1HD1 LEU 49 -6.332 4.706 -12.128 416 HD12 LEU 49 2HD1 LEU 49 -6.223 4.826 -13.885 417 HD13 LEU 49 3HD1 LEU 49 -7.736 4.332 -13.127 418 HD21 LEU 49 3HD2 LEU 49 -8.884 6.225 -14.388 419 HD22 LEU 49 1HD2 LEU 49 -7.334 6.704 -15.078 420 HD23 LEU 49 2HD2 LEU 49 -8.296 7.875 -14.176 421 H GLN 50 H GLN 50 -8.160 8.641 -9.359 422 HA GLN 50 HA GLN 50 -5.767 10.085 -9.946 423 HB2 GLN 50 2HB GLN 50 -8.351 10.741 -9.291 424 HB3 GLN 50 1HB GLN 50 -7.496 11.110 -7.801 425 HG2 GLN 50 2HG GLN 50 -6.641 12.171 -10.479 426 HG3 GLN 50 1HG GLN 50 -7.789 13.003 -9.435 427 HE21 GLN 50 1HE2 GLN 50 -4.483 12.107 -9.921 428 HE22 GLN 50 2HE2 GLN 50 -3.829 13.085 -8.654 429 H GLN 51 H GLN 51 -6.909 8.162 -7.287 430 HA GLN 51 HA GLN 51 -5.079 9.208 -5.354 431 HB2 GLN 51 2HB GLN 51 -6.969 6.888 -5.436 432 HB3 GLN 51 1HB GLN 51 -5.811 7.050 -4.125 433 HG2 GLN 51 2HG GLN 51 -6.766 9.097 -3.411 434 HG3 GLN 51 1HG GLN 51 -7.746 9.226 -4.871 435 HE21 GLN 51 1HE2 GLN 51 -7.337 7.540 -1.837 436 HE22 GLN 51 2HE2 GLN 51 -8.930 6.869 -1.778 437 H MET 52 H MET 52 -5.195 6.230 -7.315 438 HA MET 52 HA MET 52 -2.876 5.055 -6.276 439 HB2 MET 52 2HB MET 52 -2.816 3.695 -8.307 440 HB3 MET 52 1HB MET 52 -4.438 3.796 -7.644 441 HG2 MET 52 2HG MET 52 -5.034 5.446 -9.331 442 HG3 MET 52 1HG MET 52 -3.398 5.373 -9.985 443 HE1 MET 52 3HE MET 52 -6.392 1.859 -10.105 444 HE2 MET 52 1HE MET 52 -6.787 3.457 -9.477 445 HE3 MET 52 2HE MET 52 -5.640 2.432 -8.615 446 H GLN 53 H GLN 53 -3.219 7.429 -8.901 447 HA GLN 53 HA GLN 53 -0.447 7.289 -9.596 448 HB2 GLN 53 2HB GLN 53 -0.879 9.324 -10.940 449 HB3 GLN 53 1HB GLN 53 -2.014 8.028 -11.277 450 HG2 GLN 53 2HG GLN 53 -3.676 9.144 -9.849 451 HG3 GLN 53 1HG GLN 53 -2.539 10.465 -9.591 452 HE21 GLN 53 1HE2 GLN 53 -2.889 8.786 -12.629 453 HE22 GLN 53 2HE2 GLN 53 -3.566 10.109 -13.505 454 H GLU 54 H GLU 54 -2.389 9.350 -7.497 455 HA GLU 54 HA GLU 54 -0.355 11.158 -6.757 456 HB2 GLU 54 2HB GLU 54 -2.706 11.587 -6.262 457 HB3 GLU 54 1HB GLU 54 -2.768 10.179 -5.214 458 HG2 GLU 54 2HG GLU 54 -1.110 11.274 -3.729 459 HG3 GLU 54 1HG GLU 54 -1.206 12.710 -4.747 460 H LEU 55 H LEU 55 -1.424 8.084 -5.400 461 HA LEU 55 HA LEU 55 0.239 7.968 -3.165 462 HB2 LEU 55 2HB LEU 55 -1.679 6.469 -3.585 463 HB3 LEU 55 1HB LEU 55 -0.766 5.679 -4.855 464 HG LEU 55 HG LEU 55 0.880 4.918 -3.171 465 HD11 LEU 55 1HD1 LEU 55 0.346 5.108 -0.799 466 HD12 LEU 55 2HD1 LEU 55 -1.058 6.102 -1.184 467 HD13 LEU 55 3HD1 LEU 55 0.566 6.698 -1.527 468 HD21 LEU 55 3HD2 LEU 55 -1.989 4.190 -2.593 469 HD22 LEU 55 1HD2 LEU 55 -0.572 3.245 -2.128 470 HD23 LEU 55 2HD2 LEU 55 -0.960 3.473 -3.833 471 H SER 56 H SER 56 0.755 6.744 -6.431 472 HA SER 56 HA SER 56 3.229 5.565 -6.145 473 HB2 SER 56 2HB SER 56 2.294 7.214 -8.516 474 HB3 SER 56 1HB SER 56 3.534 5.962 -8.544 475 HG SER 56 HG SER 56 0.763 5.620 -8.002 476 H ASN 57 H ASN 57 2.515 8.977 -6.867 477 HA ASN 57 HA ASN 57 5.173 9.840 -7.134 478 HB2 ASN 57 2HB ASN 57 3.360 11.192 -7.968 479 HB3 ASN 57 1HB ASN 57 2.679 11.362 -6.353 480 HD21 ASN 57 1HD2 ASN 57 3.567 12.839 -4.936 481 HD22 ASN 57 2HD2 ASN 57 4.750 14.005 -5.415 482 H ILE 58 H ILE 58 3.179 9.405 -4.272 483 HA ILE 58 HA ILE 58 4.805 11.012 -2.570 484 HB ILE 58 HB ILE 58 2.852 8.853 -1.764 485 HG12 ILE 58 2HG1 ILE 58 2.477 11.789 -2.361 486 HG13 ILE 58 1HG1 ILE 58 1.688 10.427 -3.141 487 HG21 ILE 58 1HG2 ILE 58 3.966 11.208 -0.240 488 HG22 ILE 58 2HG2 ILE 58 4.357 9.510 0.033 489 HG23 ILE 58 3HG2 ILE 58 2.725 10.101 0.347 490 HD11 ILE 58 3HD1 ILE 58 1.269 11.318 -0.297 491 HD12 ILE 58 1HD1 ILE 58 0.497 9.933 -1.064 492 HD13 ILE 58 2HD1 ILE 58 0.162 11.563 -1.650 493 H LEU 59 H LEU 59 4.690 7.555 -3.330 494 HA LEU 59 HA LEU 59 6.749 7.071 -1.310 495 HB2 LEU 59 2HB LEU 59 5.016 5.218 -2.920 496 HB3 LEU 59 1HB LEU 59 6.393 4.634 -2.009 497 HG LEU 59 HG LEU 59 4.491 4.245 -0.656 498 HD11 LEU 59 1HD1 LEU 59 4.884 5.626 1.308 499 HD12 LEU 59 2HD1 LEU 59 5.794 6.775 0.327 500 HD13 LEU 59 3HD1 LEU 59 6.401 5.134 0.554 501 HD21 LEU 59 3HD2 LEU 59 2.899 5.673 -1.784 502 HD22 LEU 59 1HD2 LEU 59 3.701 7.110 -1.151 503 HD23 LEU 59 2HD2 LEU 59 2.885 5.999 -0.051 504 H ASN 60 H ASN 60 6.783 8.115 -4.338 505 HA ASN 60 HA ASN 60 8.240 8.113 -6.089 506 HB2 ASN 60 2HB ASN 60 9.847 8.355 -4.036 507 HB3 ASN 60 1HB ASN 60 10.269 6.682 -4.372 508 HD21 ASN 60 1HD2 ASN 60 10.069 6.915 -7.251 509 HD22 ASN 60 2HD2 ASN 60 11.414 7.869 -7.769 510 H LEU 61 H LEU 61 6.386 6.043 -5.842 511 HA LEU 61 HA LEU 61 7.828 3.675 -6.835 512 HB2 LEU 61 2HB LEU 61 5.494 4.038 -5.118 513 HB3 LEU 61 1HB LEU 61 5.199 2.918 -6.434 514 HG LEU 61 HG LEU 61 7.142 1.577 -5.711 515 HD11 LEU 61 1HD1 LEU 61 8.445 3.361 -4.676 516 HD12 LEU 61 2HD1 LEU 61 8.193 2.020 -3.558 517 HD13 LEU 61 3HD1 LEU 61 7.245 3.497 -3.392 518 HD21 LEU 61 3HD2 LEU 61 6.117 0.667 -3.687 519 HD22 LEU 61 1HD2 LEU 61 4.909 1.014 -4.923 520 HD23 LEU 61 2HD2 LEU 61 5.105 2.105 -3.552 521 H SER 62 H SER 62 6.466 2.391 -8.428 522 HA SER 62 HA SER 62 5.959 4.192 -10.626 523 HB2 SER 62 2HB SER 62 7.365 2.243 -11.002 524 HB3 SER 62 1HB SER 62 6.081 1.173 -10.452 525 HG SER 62 HG SER 62 6.544 1.960 -12.896 526 H TYR 63 H TYR 63 4.041 4.577 -11.546 527 HA TYR 63 HA TYR 63 1.607 4.187 -10.255 528 HB2 TYR 63 2HB TYR 63 1.900 5.910 -11.922 529 HB3 TYR 63 1HB TYR 63 2.263 4.718 -13.161 530 HD1 TYR 63 2HD TYR 63 -0.437 6.062 -11.015 531 HD2 TYR 63 1HD TYR 63 0.534 3.708 -14.422 532 HE1 TYR 63 2HE TYR 63 -2.807 6.046 -11.676 533 HE2 TYR 63 1HE TYR 63 -1.830 3.684 -15.088 534 HH TYR 63 HH TYR 63 -4.044 3.971 -14.054 535 H LYS 64 H LYS 64 3.323 2.221 -12.580 536 HA LYS 64 HA LYS 64 1.218 0.405 -13.145 537 HB2 LYS 64 2HB LYS 64 4.207 -0.019 -13.326 538 HB3 LYS 64 1HB LYS 64 2.971 -0.968 -14.127 539 HG2 LYS 64 2HG LYS 64 3.509 1.945 -14.637 540 HG3 LYS 64 1HG LYS 64 4.086 0.611 -15.635 541 HD2 LYS 64 2HD LYS 64 1.824 -0.012 -16.189 542 HD3 LYS 64 1HD LYS 64 1.180 1.205 -15.087 543 HE2 LYS 64 2HE LYS 64 1.100 1.948 -17.430 544 HE3 LYS 64 1HE LYS 64 2.134 2.980 -16.442 545 HZ1 LYS 64 3HZ LYS 64 4.069 1.880 -17.319 546 HZ2 LYS 64 1HZ LYS 64 3.122 2.431 -18.611 547 HZ3 LYS 64 2HZ LYS 64 3.118 0.786 -18.195 548 H GLN 65 H GLN 65 3.821 0.548 -10.786 549 HA GLN 65 HA GLN 65 3.400 -2.037 -9.687 550 HB2 GLN 65 2HB GLN 65 4.706 0.433 -8.542 551 HB3 GLN 65 1HB GLN 65 4.711 -1.133 -7.747 552 HG2 GLN 65 2HG GLN 65 5.885 -0.566 -10.460 553 HG3 GLN 65 1HG GLN 65 6.796 -0.656 -8.955 554 HE21 GLN 65 1HE2 GLN 65 7.058 -2.246 -11.365 555 HE22 GLN 65 2HE2 GLN 65 6.833 -3.892 -10.878 556 H VAL 66 H VAL 66 2.287 1.219 -8.785 557 HA VAL 66 HA VAL 66 0.956 0.380 -6.418 558 HB VAL 66 HB VAL 66 0.583 2.878 -8.079 559 HG11 VAL 66 1HG1 VAL 66 -0.577 3.801 -6.125 560 HG12 VAL 66 2HG1 VAL 66 -0.504 2.222 -5.341 561 HG13 VAL 66 3HG1 VAL 66 -1.453 2.433 -6.813 562 HG21 VAL 66 3HG2 VAL 66 1.854 3.911 -6.235 563 HG22 VAL 66 1HG2 VAL 66 2.780 2.666 -7.077 564 HG23 VAL 66 2HG2 VAL 66 2.055 2.316 -5.507 565 H LYS 67 H LYS 67 -0.124 0.828 -9.746 566 HA LYS 67 HA LYS 67 -2.876 0.411 -9.288 567 HB2 LYS 67 2HB LYS 67 -1.853 1.431 -11.333 568 HB3 LYS 67 1HB LYS 67 -1.322 -0.175 -11.807 569 HG2 LYS 67 2HG LYS 67 -3.667 -0.907 -11.875 570 HG3 LYS 67 1HG LYS 67 -4.168 0.737 -11.468 571 HD2 LYS 67 2HD LYS 67 -3.002 1.539 -13.506 572 HD3 LYS 67 1HD LYS 67 -2.660 -0.140 -13.929 573 HE2 LYS 67 2HE LYS 67 -5.381 1.122 -13.623 574 HE3 LYS 67 1HE LYS 67 -4.608 0.644 -15.134 575 HZ1 LYS 67 3HZ LYS 67 -5.442 -1.180 -12.944 576 HZ2 LYS 67 1HZ LYS 67 -4.648 -1.665 -14.366 577 HZ3 LYS 67 2HZ LYS 67 -6.208 -1.000 -14.442 578 H THR 68 H THR 68 -0.269 -1.777 -10.182 579 HA THR 68 HA THR 68 -1.939 -4.064 -10.486 580 HB THR 68 HB THR 68 1.055 -4.002 -10.029 581 HG1 THR 68 1HG THR 68 0.724 -2.836 -11.869 582 HG21 THR 68 3HG2 THR 68 0.020 -6.220 -9.746 583 HG22 THR 68 1HG2 THR 68 1.045 -6.155 -11.180 584 HG23 THR 68 2HG2 THR 68 -0.709 -6.075 -11.345 585 H TRP 69 H TRP 69 -0.034 -2.707 -7.847 586 HA TRP 69 HA TRP 69 -0.211 -4.784 -5.996 587 HB2 TRP 69 2HB TRP 69 1.161 -2.836 -5.560 588 HB3 TRP 69 1HB TRP 69 -0.248 -1.785 -5.576 589 HD1 TRP 69 HD TRP 69 1.296 -4.602 -3.426 590 HE1 TRP 69 1HE TRP 69 0.533 -4.257 -0.992 591 HE3 TRP 69 3HE TRP 69 -1.891 -0.666 -4.123 592 HZ2 TRP 69 2HZ TRP 69 -1.196 -2.544 0.445 593 HZ3 TRP 69 3HZ TRP 69 -3.060 0.267 -2.168 594 HH2 TRP 69 HH TRP 69 -2.718 -0.653 0.069 595 H PHE 70 H PHE 70 -2.442 -2.096 -6.594 596 HA PHE 70 HA PHE 70 -4.375 -2.751 -4.688 597 HB2 PHE 70 2HB PHE 70 -4.368 -0.592 -5.795 598 HB3 PHE 70 1HB PHE 70 -4.666 -1.350 -7.354 599 HD1 PHE 70 2HD PHE 70 -6.166 -1.041 -3.961 600 HD2 PHE 70 1HD PHE 70 -6.830 -1.479 -8.144 601 HE1 PHE 70 2HE PHE 70 -8.590 -0.810 -3.601 602 HE2 PHE 70 1HE PHE 70 -9.253 -1.255 -7.791 603 HZ PHE 70 HZ PHE 70 -10.135 -0.919 -5.513 604 H GLN 71 H GLN 71 -3.988 -3.836 -8.041 605 HA GLN 71 HA GLN 71 -6.485 -5.175 -8.190 606 HB2 GLN 71 2HB GLN 71 -5.129 -4.484 -10.166 607 HB3 GLN 71 1HB GLN 71 -3.993 -5.773 -9.792 608 HG2 GLN 71 2HG GLN 71 -5.517 -6.447 -11.549 609 HG3 GLN 71 1HG GLN 71 -5.759 -7.427 -10.102 610 HE21 GLN 71 1HE2 GLN 71 -6.881 -4.138 -10.457 611 HE22 GLN 71 2HE2 GLN 71 -8.574 -4.498 -10.479 612 H ASN 72 H ASN 72 -3.335 -6.138 -7.069 613 HA ASN 72 HA ASN 72 -3.900 -8.931 -6.921 614 HB2 ASN 72 2HB ASN 72 -1.655 -7.181 -6.017 615 HB3 ASN 72 1HB ASN 72 -1.829 -8.766 -5.272 616 HD21 ASN 72 1HD2 ASN 72 -1.108 -7.037 -8.191 617 HD22 ASN 72 2HD2 ASN 72 -0.478 -8.392 -9.072 618 H GLN 73 H GLN 73 -3.733 -6.268 -4.583 619 HA GLN 73 HA GLN 73 -4.543 -7.756 -2.341 620 HB2 GLN 73 2HB GLN 73 -4.969 -4.834 -2.989 621 HB3 GLN 73 1HB GLN 73 -5.275 -5.556 -1.416 622 HG2 GLN 73 2HG GLN 73 -2.615 -5.404 -2.817 623 HG3 GLN 73 1HG GLN 73 -3.134 -4.424 -1.446 624 HE21 GLN 73 1HE2 GLN 73 -3.305 -5.371 0.581 625 HE22 GLN 73 2HE2 GLN 73 -2.541 -6.878 0.966 626 H ARG 74 H ARG 74 -6.363 -6.050 -4.834 627 HA ARG 74 HA ARG 74 -8.946 -6.364 -3.880 628 HB2 ARG 74 2HB ARG 74 -8.447 -5.051 -5.869 629 HB3 ARG 74 1HB ARG 74 -7.951 -6.497 -6.737 630 HG2 ARG 74 2HG ARG 74 -10.323 -7.343 -6.383 631 HG3 ARG 74 1HG ARG 74 -10.714 -5.700 -5.873 632 HD2 ARG 74 2HD ARG 74 -9.923 -4.850 -8.034 633 HD3 ARG 74 1HD ARG 74 -9.551 -6.498 -8.541 634 HE ARG 74 HE ARG 74 -12.294 -5.686 -7.845 635 HH11 ARG 74 1HH1 ARG 74 -10.005 -7.063 -10.120 636 HH12 ARG 74 2HH1 ARG 74 -11.239 -7.579 -11.232 637 HH21 ARG 74 1HH2 ARG 74 -13.908 -6.366 -9.301 638 HH22 ARG 74 2HH2 ARG 74 -13.457 -7.208 -10.755 639 H MET 75 H MET 75 -7.019 -8.635 -5.864 640 HA MET 75 HA MET 75 -9.250 -10.423 -6.086 641 HB2 MET 75 2HB MET 75 -7.698 -11.960 -7.225 642 HB3 MET 75 1HB MET 75 -7.677 -10.345 -7.906 643 HG2 MET 75 2HG MET 75 -5.452 -10.918 -7.893 644 HG3 MET 75 1HG MET 75 -5.608 -9.991 -6.406 645 HE1 MET 75 3HE MET 75 -3.254 -11.016 -5.594 646 HE2 MET 75 1HE MET 75 -3.153 -11.951 -7.086 647 HE3 MET 75 2HE MET 75 -2.927 -12.750 -5.528 648 H LYS 76 H LYS 76 -6.452 -10.305 -3.930 649 HA LYS 76 HA LYS 76 -7.011 -12.985 -2.990 650 HB2 LYS 76 2HB LYS 76 -5.064 -12.732 -1.556 651 HB3 LYS 76 1HB LYS 76 -4.686 -12.282 -3.210 652 HG2 LYS 76 2HG LYS 76 -4.843 -9.923 -2.608 653 HG3 LYS 76 1HG LYS 76 -5.225 -10.378 -0.943 654 HD2 LYS 76 2HD LYS 76 -2.686 -11.077 -2.418 655 HD3 LYS 76 1HD LYS 76 -2.850 -9.814 -1.198 656 HE2 LYS 76 2HE LYS 76 -3.359 -11.427 0.497 657 HE3 LYS 76 1HE LYS 76 -3.446 -12.722 -0.693 658 HZ1 LYS 76 3HZ LYS 76 -1.121 -12.569 -1.078 659 HZ2 LYS 76 1HZ LYS 76 -1.347 -12.659 0.603 660 HZ3 LYS 76 2HZ LYS 76 -0.984 -11.168 -0.129 661 H SER 77 H SER 77 -7.848 -9.761 -2.040 662 HA SER 77 HA SER 77 -8.460 -10.315 0.666 663 HB2 SER 77 2HB SER 77 -9.680 -8.283 -1.219 664 HB3 SER 77 1HB SER 77 -9.980 -8.342 0.518 665 HG SER 77 HG SER 77 -7.568 -7.781 -0.845 666 H LYS 78 H LYS 78 -10.239 -10.746 -2.338 667 HA LYS 78 HA LYS 78 -12.649 -11.597 -1.035 668 HB2 LYS 78 2HB LYS 78 -11.736 -11.928 -3.900 669 HB3 LYS 78 1HB LYS 78 -13.348 -12.299 -3.310 670 HG2 LYS 78 2HG LYS 78 -13.642 -9.942 -2.679 671 HG3 LYS 78 1HG LYS 78 -12.044 -9.585 -3.331 672 HD2 LYS 78 2HD LYS 78 -13.752 -8.994 -4.952 673 HD3 LYS 78 1HD LYS 78 -12.802 -10.359 -5.548 674 HE2 LYS 78 2HE LYS 78 -14.554 -11.899 -4.846 675 HE3 LYS 78 1HE LYS 78 -15.499 -10.555 -4.204 676 HZ1 LYS 78 3HZ LYS 78 -14.721 -10.868 -7.058 677 HZ2 LYS 78 1HZ LYS 78 -15.730 -9.664 -6.412 678 HZ3 LYS 78 2HZ LYS 78 -16.235 -11.286 -6.417 679 H ARG 79 H ARG 79 -10.443 -13.424 -3.198 680 HA ARG 79 HA ARG 79 -10.294 -15.475 -1.149 681 HB2 ARG 79 2HB ARG 79 -12.211 -16.080 -2.689 682 HB3 ARG 79 1HB ARG 79 -11.009 -16.292 -3.959 683 HG2 ARG 79 2HG ARG 79 -9.887 -17.993 -2.646 684 HG3 ARG 79 1HG ARG 79 -11.040 -17.764 -1.334 685 HD2 ARG 79 2HD ARG 79 -12.853 -18.490 -2.833 686 HD3 ARG 79 1HD ARG 79 -11.665 -18.759 -4.111 687 HE ARG 79 HE ARG 79 -11.323 -20.177 -1.571 688 HH11 ARG 79 1HH1 ARG 79 -12.226 -20.286 -4.959 689 HH12 ARG 79 2HH1 ARG 79 -12.026 -22.008 -5.071 690 HH21 ARG 79 1HH2 ARG 79 -11.088 -22.404 -1.708 691 HH22 ARG 79 2HH2 ARG 79 -11.376 -23.226 -3.216 692 H TRP 80 H TRP 80 -9.422 -15.229 -4.595 693 HA TRP 80 HA TRP 80 -6.652 -14.886 -4.096 694 HB2 TRP 80 2HB TRP 80 -5.806 -17.032 -4.808 695 HB3 TRP 80 1HB TRP 80 -6.913 -17.301 -3.469 696 HD1 TRP 80 HD TRP 80 -9.621 -17.804 -4.560 697 HE1 TRP 80 1HE TRP 80 -10.160 -19.609 -6.316 698 HE3 TRP 80 3HE TRP 80 -4.956 -18.413 -6.561 699 HZ2 TRP 80 2HZ TRP 80 -8.786 -21.097 -8.286 700 HZ3 TRP 80 3HZ TRP 80 -4.651 -20.051 -8.373 701 HH2 TRP 80 HH TRP 80 -6.529 -21.366 -9.217 702 H GLN 81 H GLN 81 -5.492 -15.622 -6.350 703 HA GLN 81 HA GLN 81 -6.606 -13.854 -8.273 704 HB2 GLN 81 2HB GLN 81 -4.190 -14.132 -8.061 705 HB3 GLN 81 1HB GLN 81 -4.326 -15.829 -8.503 706 HG2 GLN 81 2HG GLN 81 -5.330 -15.005 -10.698 707 HG3 GLN 81 1HG GLN 81 -4.736 -13.413 -10.234 708 HE21 GLN 81 1HE2 GLN 81 -2.509 -13.044 -10.155 709 HE22 GLN 81 2HE2 GLN 81 -1.384 -14.107 -10.933 710 H LYS 82 H LYS 82 -8.462 -14.443 -9.302 711 HA LYS 82 HA LYS 82 -8.796 -17.139 -10.249 712 HB2 LYS 82 2HB LYS 82 -10.882 -16.398 -11.231 713 HB3 LYS 82 1HB LYS 82 -10.767 -15.800 -9.585 714 HG2 LYS 82 2HG LYS 82 -10.956 -13.680 -10.251 715 HG3 LYS 82 1HG LYS 82 -9.748 -13.891 -11.521 716 HD2 LYS 82 2HD LYS 82 -12.664 -14.669 -11.690 717 HD3 LYS 82 1HD LYS 82 -11.911 -13.283 -12.483 718 HE2 LYS 82 2HE LYS 82 -10.477 -14.803 -13.767 719 HE3 LYS 82 1HE LYS 82 -11.226 -16.182 -12.967 720 HZ1 LYS 82 3HZ LYS 82 -12.483 -14.292 -14.872 721 HZ2 LYS 82 1HZ LYS 82 -13.380 -15.390 -13.940 722 HZ3 LYS 82 2HZ LYS 82 -12.243 -15.960 -15.065 723 H ASN 83 H ASN 83 -7.566 -17.831 -11.853 724 HA ASN 83 HA ASN 83 -6.934 -15.963 -14.045 725 HB2 ASN 83 2HB ASN 83 -5.086 -17.095 -12.548 726 HB3 ASN 83 1HB ASN 83 -5.395 -18.497 -13.565 727 HD21 ASN 83 1HD2 ASN 83 -3.057 -16.704 -13.257 728 HD22 ASN 83 2HD2 ASN 83 -2.691 -16.151 -14.853 729 H ASN 84 H ASN 84 -9.301 -17.709 -13.560 730 HA ASN 84 HA ASN 84 -9.468 -18.741 -16.257 731 HB2 ASN 84 2HB ASN 84 -8.626 -20.677 -14.949 732 HB3 ASN 84 1HB ASN 84 -10.020 -20.542 -13.881 733 HD21 ASN 84 1HD2 ASN 84 -10.855 -22.530 -14.350 734 HD22 ASN 84 2HD2 ASN 84 -11.521 -22.945 -15.888 Start of MODEL 8 1 H1 SER 1 H1 SER 1 -9.390 15.007 -5.163 2 H2 SER 1 H2 SER 1 -8.509 15.571 -3.834 3 H3 SER 1 H3 SER 1 -9.170 14.009 -3.812 4 HA SER 1 HA SER 1 -6.859 13.816 -4.222 5 HB2 SER 1 2HB SER 1 -8.282 13.462 -6.866 6 HB3 SER 1 1HB SER 1 -6.956 12.498 -6.213 7 HG SER 1 HG SER 1 -9.124 11.561 -6.022 8 H LYS 2 H LYS 2 -5.244 15.168 -4.446 9 HA LYS 2 HA LYS 2 -4.324 16.314 -6.747 10 HB2 LYS 2 2HB LYS 2 -6.390 17.766 -6.570 11 HB3 LYS 2 1HB LYS 2 -5.712 18.434 -5.091 12 HG2 LYS 2 2HG LYS 2 -3.938 19.459 -6.237 13 HG3 LYS 2 1HG LYS 2 -4.226 18.510 -7.697 14 HD2 LYS 2 2HD LYS 2 -4.995 20.841 -7.920 15 HD3 LYS 2 1HD LYS 2 -6.312 19.679 -8.080 16 HE2 LYS 2 2HE LYS 2 -6.975 20.100 -5.773 17 HE3 LYS 2 1HE LYS 2 -5.633 21.229 -5.587 18 HZ1 LYS 2 3HZ LYS 2 -7.849 21.549 -7.537 19 HZ2 LYS 2 1HZ LYS 2 -6.609 22.664 -7.227 20 HZ3 LYS 2 2HZ LYS 2 -7.769 22.331 -6.034 21 H GLN 3 H GLN 3 -4.798 17.265 -3.367 22 HA GLN 3 HA GLN 3 -1.934 16.751 -2.934 23 HB2 GLN 3 2HB GLN 3 -3.588 18.815 -1.450 24 HB3 GLN 3 1HB GLN 3 -1.915 18.406 -1.111 25 HG2 GLN 3 2HG GLN 3 -1.654 20.324 -2.307 26 HG3 GLN 3 1HG GLN 3 -1.549 19.126 -3.596 27 HE21 GLN 3 1HE2 GLN 3 -4.556 19.923 -2.022 28 HE22 GLN 3 2HE2 GLN 3 -5.268 20.745 -3.367 29 HA PRO 4 HA PRO 4 -4.535 13.675 -0.735 30 HB2 PRO 4 2HB PRO 4 -1.903 12.317 -0.600 31 HB3 PRO 4 1HB PRO 4 -3.469 11.695 -1.132 32 HG2 PRO 4 2HG PRO 4 -1.540 12.263 -2.890 33 HG3 PRO 4 1HG PRO 4 -3.246 12.573 -3.260 34 HD2 PRO 4 2HD PRO 4 -1.098 14.490 -2.464 35 HD3 PRO 4 1HD PRO 4 -2.422 14.698 -3.628 36 H THR 5 H THR 5 -1.143 14.204 0.208 37 HA THR 5 HA THR 5 -0.123 14.442 2.221 38 HB THR 5 HB THR 5 -2.494 15.711 3.488 39 HG1 THR 5 1HG THR 5 -2.785 16.418 1.354 40 HG21 THR 5 3HG2 THR 5 -0.826 17.434 4.028 41 HG22 THR 5 1HG2 THR 5 0.363 16.599 3.027 42 HG23 THR 5 2HG2 THR 5 -0.254 15.832 4.490 43 H SER 6 H SER 6 -1.116 14.357 4.896 44 HA SER 6 HA SER 6 -2.925 12.253 5.342 45 HB2 SER 6 2HB SER 6 -0.990 10.984 4.265 46 HB3 SER 6 1HB SER 6 -0.059 11.369 5.712 47 HG SER 6 HG SER 6 -1.228 10.003 6.857 48 H ALA 7 H ALA 7 -3.698 13.299 7.076 49 HA ALA 7 HA ALA 7 -3.898 14.070 9.195 50 HB1 ALA 7 1HB ALA 7 -2.680 12.894 10.930 51 HB2 ALA 7 2HB ALA 7 -1.556 12.251 9.733 52 HB3 ALA 7 3HB ALA 7 -3.251 11.762 9.702 53 H GLU 8 H GLU 8 -3.327 16.191 8.588 54 HA GLU 8 HA GLU 8 -0.621 17.089 8.674 55 HB2 GLU 8 2HB GLU 8 -3.241 18.588 8.588 56 HB3 GLU 8 1HB GLU 8 -1.680 19.389 8.597 57 HG2 GLU 8 2HG GLU 8 -2.420 19.298 6.351 58 HG3 GLU 8 1HG GLU 8 -1.105 18.137 6.515 59 H ASN 9 H ASN 9 0.384 16.831 10.558 60 HA ASN 9 HA ASN 9 1.068 17.265 12.675 61 HB2 ASN 9 2HB ASN 9 -0.983 19.480 12.497 62 HB3 ASN 9 1HB ASN 9 0.152 19.289 13.829 63 HD21 ASN 9 1HD2 ASN 9 -0.197 21.448 11.846 64 HD22 ASN 9 2HD2 ASN 9 1.360 21.640 11.110 65 H SER 10 H SER 10 -1.318 15.559 11.997 66 HA SER 10 HA SER 10 -2.264 15.200 14.751 67 HB2 SER 10 2HB SER 10 -4.530 14.607 13.719 68 HB3 SER 10 1HB SER 10 -4.101 16.318 13.726 69 HG SER 10 HG SER 10 -4.861 14.991 11.666 70 H VAL 11 H VAL 11 -0.187 13.817 13.513 71 HA VAL 11 HA VAL 11 -0.974 11.476 12.149 72 HB VAL 11 HB VAL 11 1.548 11.886 13.763 73 HG11 VAL 11 1HG1 VAL 11 1.118 9.561 13.134 74 HG12 VAL 11 2HG1 VAL 11 2.513 10.215 12.278 75 HG13 VAL 11 3HG1 VAL 11 0.967 10.047 11.444 76 HG21 VAL 11 3HG2 VAL 11 1.261 13.698 12.157 77 HG22 VAL 11 1HG2 VAL 11 1.013 12.524 10.862 78 HG23 VAL 11 2HG2 VAL 11 2.577 12.628 11.671 79 H ALA 12 H ALA 12 -2.313 10.053 13.022 80 HA ALA 12 HA ALA 12 -1.535 8.819 15.556 81 HB1 ALA 12 1HB ALA 12 -3.340 10.383 16.093 82 HB2 ALA 12 2HB ALA 12 -3.857 8.710 16.305 83 HB3 ALA 12 3HB ALA 12 -4.368 9.616 14.881 84 H LYS 13 H LYS 13 -2.121 6.633 15.730 85 HA LYS 13 HA LYS 13 -2.370 4.503 14.991 86 HB2 LYS 13 2HB LYS 13 -4.668 5.198 14.407 87 HB3 LYS 13 1HB LYS 13 -4.098 5.714 12.824 88 HG2 LYS 13 2HG LYS 13 -3.226 3.230 12.712 89 HG3 LYS 13 1HG LYS 13 -4.509 2.977 13.896 90 HD2 LYS 13 2HD LYS 13 -5.369 2.566 11.673 91 HD3 LYS 13 1HD LYS 13 -6.109 4.026 12.334 92 HE2 LYS 13 2HE LYS 13 -5.430 4.248 9.959 93 HE3 LYS 13 1HE LYS 13 -4.664 5.422 11.025 94 HZ1 LYS 13 3HZ LYS 13 -2.662 4.103 11.025 95 HZ2 LYS 13 1HZ LYS 13 -3.099 4.465 9.429 96 HZ3 LYS 13 2HZ LYS 13 -3.387 2.916 10.066 97 H LYS 14 H LYS 14 -0.311 4.030 14.383 98 HA LYS 14 HA LYS 14 0.177 4.089 11.499 99 HB2 LYS 14 2HB LYS 14 2.519 4.700 11.834 100 HB3 LYS 14 1HB LYS 14 1.458 5.953 12.458 101 HG2 LYS 14 2HG LYS 14 1.798 5.025 14.739 102 HG3 LYS 14 1HG LYS 14 2.981 3.906 14.055 103 HD2 LYS 14 2HD LYS 14 4.285 5.825 13.229 104 HD3 LYS 14 1HD LYS 14 3.119 6.919 13.971 105 HE2 LYS 14 2HE LYS 14 5.001 6.746 15.429 106 HE3 LYS 14 1HE LYS 14 3.656 5.885 16.173 107 HZ1 LYS 14 3HZ LYS 14 4.615 3.826 15.661 108 HZ2 LYS 14 1HZ LYS 14 5.906 4.765 16.217 109 HZ3 LYS 14 2HZ LYS 14 5.708 4.492 14.554 110 H GLU 15 H GLU 15 1.795 2.477 10.828 111 HA GLU 15 HA GLU 15 1.301 -0.047 11.946 112 HB2 GLU 15 2HB GLU 15 3.610 0.758 10.166 113 HB3 GLU 15 1HB GLU 15 3.024 -0.879 10.426 114 HG2 GLU 15 2HG GLU 15 1.603 1.372 9.028 115 HG3 GLU 15 1HG GLU 15 2.239 -0.107 8.312 116 H ASP 16 H ASP 16 1.837 -0.422 14.000 117 HA ASP 16 HA ASP 16 4.631 -0.076 14.822 118 HB2 ASP 16 2HB ASP 16 3.009 1.865 15.492 119 HB3 ASP 16 1HB ASP 16 2.399 0.713 16.675 120 H LYS 17 H LYS 17 5.118 -1.324 16.823 121 HA LYS 17 HA LYS 17 5.293 -3.369 17.787 122 HB2 LYS 17 2HB LYS 17 2.361 -2.873 17.877 123 HB3 LYS 17 1HB LYS 17 2.902 -4.517 18.177 124 HG2 LYS 17 2HG LYS 17 2.713 -3.499 20.286 125 HG3 LYS 17 1HG LYS 17 4.440 -3.561 19.935 126 HD2 LYS 17 2HD LYS 17 3.868 -1.413 20.883 127 HD3 LYS 17 1HD LYS 17 4.343 -1.213 19.196 128 HE2 LYS 17 2HE LYS 17 1.966 -1.157 18.557 129 HE3 LYS 17 1HE LYS 17 1.520 -1.304 20.256 130 HZ1 LYS 17 3HZ LYS 17 2.486 0.794 20.726 131 HZ2 LYS 17 1HZ LYS 17 1.480 0.997 19.379 132 HZ3 LYS 17 2HZ LYS 17 3.166 0.911 19.174 133 H VAL 18 H VAL 18 6.089 -3.711 15.441 134 HA VAL 18 HA VAL 18 4.556 -5.942 14.260 135 HB VAL 18 HB VAL 18 6.508 -4.158 12.785 136 HG11 VAL 18 1HG1 VAL 18 6.288 -6.402 11.866 137 HG12 VAL 18 2HG1 VAL 18 5.577 -5.202 10.786 138 HG13 VAL 18 3HG1 VAL 18 4.536 -6.208 11.791 139 HG21 VAL 18 3HG2 VAL 18 4.561 -2.850 13.450 140 HG22 VAL 18 1HG2 VAL 18 3.489 -4.075 12.770 141 HG23 VAL 18 2HG2 VAL 18 4.548 -3.142 11.711 142 HA PRO 19 HA PRO 19 8.456 -7.709 15.900 143 HB2 PRO 19 2HB PRO 19 7.426 -10.091 16.621 144 HB3 PRO 19 1HB PRO 19 7.225 -8.643 17.617 145 HG2 PRO 19 2HG PRO 19 5.302 -9.896 15.691 146 HG3 PRO 19 1HG PRO 19 4.999 -9.257 17.317 147 HD2 PRO 19 2HD PRO 19 4.454 -7.859 15.047 148 HD3 PRO 19 1HD PRO 19 4.895 -7.082 16.580 149 H VAL 20 H VAL 20 9.221 -10.151 15.528 150 HA VAL 20 HA VAL 20 9.986 -11.733 14.117 151 HB VAL 20 HB VAL 20 7.457 -11.165 12.593 152 HG11 VAL 20 1HG1 VAL 20 7.749 -13.419 11.640 153 HG12 VAL 20 2HG1 VAL 20 9.312 -13.540 12.448 154 HG13 VAL 20 3HG1 VAL 20 9.063 -12.332 11.189 155 HG21 VAL 20 3HG2 VAL 20 6.991 -11.836 14.870 156 HG22 VAL 20 1HG2 VAL 20 8.054 -13.232 14.700 157 HG23 VAL 20 2HG2 VAL 20 6.566 -13.138 13.758 158 H LYS 21 H LYS 21 11.750 -10.475 13.537 159 HA LYS 21 HA LYS 21 11.983 -10.089 10.710 160 HB2 LYS 21 2HB LYS 21 11.549 -7.778 12.440 161 HB3 LYS 21 1HB LYS 21 13.047 -7.664 11.523 162 HG2 LYS 21 2HG LYS 21 11.882 -7.895 9.450 163 HG3 LYS 21 1HG LYS 21 10.370 -8.260 10.282 164 HD2 LYS 21 2HD LYS 21 11.866 -5.640 10.399 165 HD3 LYS 21 1HD LYS 21 10.405 -5.959 9.462 166 HE2 LYS 21 2HE LYS 21 10.700 -5.970 12.458 167 HE3 LYS 21 1HE LYS 21 9.770 -4.837 11.477 168 HZ1 LYS 21 3HZ LYS 21 8.328 -6.457 12.502 169 HZ2 LYS 21 1HZ LYS 21 9.201 -7.734 11.813 170 HZ3 LYS 21 2HZ LYS 21 8.323 -6.680 10.819 171 H LYS 22 H LYS 22 13.151 -11.680 12.848 172 HA LYS 22 HA LYS 22 15.801 -10.721 13.342 173 HB2 LYS 22 2HB LYS 22 14.725 -12.299 14.868 174 HB3 LYS 22 1HB LYS 22 14.624 -13.498 13.585 175 HG2 LYS 22 2HG LYS 22 17.033 -13.675 13.513 176 HG3 LYS 22 1HG LYS 22 17.189 -12.394 14.716 177 HD2 LYS 22 2HD LYS 22 16.217 -13.748 16.406 178 HD3 LYS 22 1HD LYS 22 15.694 -14.956 15.233 179 HE2 LYS 22 2HE LYS 22 18.571 -14.285 15.833 180 HE3 LYS 22 1HE LYS 22 17.689 -15.638 16.542 181 HZ1 LYS 22 3HZ LYS 22 17.319 -16.485 14.277 182 HZ2 LYS 22 1HZ LYS 22 18.965 -16.402 14.679 183 HZ3 LYS 22 2HZ LYS 22 18.284 -15.233 13.656 184 H GLN 23 H GLN 23 14.249 -12.713 10.939 185 HA GLN 23 HA GLN 23 16.825 -12.949 9.530 186 HB2 GLN 23 2HB GLN 23 15.895 -15.127 10.170 187 HB3 GLN 23 1HB GLN 23 14.388 -14.733 9.354 188 HG2 GLN 23 2HG GLN 23 15.556 -14.661 7.215 189 HG3 GLN 23 1HG GLN 23 17.074 -15.041 8.027 190 HE21 GLN 23 1HE2 GLN 23 14.035 -16.443 8.967 191 HE22 GLN 23 2HE2 GLN 23 14.373 -18.050 8.432 192 H LYS 24 H LYS 24 16.881 -11.316 8.106 193 HA LYS 24 HA LYS 24 14.474 -10.744 6.533 194 HB2 LYS 24 2HB LYS 24 17.036 -9.175 6.848 195 HB3 LYS 24 1HB LYS 24 15.740 -8.733 5.748 196 HG2 LYS 24 2HG LYS 24 14.218 -8.577 7.724 197 HG3 LYS 24 1HG LYS 24 15.631 -8.821 8.754 198 HD2 LYS 24 2HD LYS 24 15.154 -6.453 8.553 199 HD3 LYS 24 1HD LYS 24 16.679 -6.827 7.745 200 HE2 LYS 24 2HE LYS 24 15.378 -6.967 5.596 201 HE3 LYS 24 1HE LYS 24 13.988 -6.334 6.475 202 HZ1 LYS 24 3HZ LYS 24 16.603 -4.963 6.126 203 HZ2 LYS 24 1HZ LYS 24 15.284 -4.344 6.995 204 HZ3 LYS 24 2HZ LYS 24 15.162 -4.578 5.319 205 H THR 25 H THR 25 14.477 -12.390 5.071 206 HA THR 25 HA THR 25 16.895 -12.722 3.431 207 HB THR 25 HB THR 25 15.931 -14.744 4.609 208 HG1 THR 25 1HG THR 25 17.259 -14.920 2.732 209 HG21 THR 25 3HG2 THR 25 13.962 -15.813 3.585 210 HG22 THR 25 1HG2 THR 25 13.724 -14.383 2.578 211 HG23 THR 25 2HG2 THR 25 13.560 -14.267 4.331 212 H ARG 26 H ARG 26 14.014 -11.147 3.459 213 HA ARG 26 HA ARG 26 13.966 -10.921 0.543 214 HB2 ARG 26 2HB ARG 26 11.502 -11.008 0.529 215 HB3 ARG 26 1HB ARG 26 12.205 -12.519 1.088 216 HG2 ARG 26 2HG ARG 26 11.773 -11.822 3.412 217 HG3 ARG 26 1HG ARG 26 10.979 -10.371 2.800 218 HD2 ARG 26 2HD ARG 26 9.342 -11.751 1.631 219 HD3 ARG 26 1HD ARG 26 10.150 -13.209 2.206 220 HE ARG 26 HE ARG 26 9.113 -11.313 4.183 221 HH11 ARG 26 1HH1 ARG 26 8.929 -14.436 2.603 222 HH12 ARG 26 2HH1 ARG 26 7.762 -15.077 3.732 223 HH21 ARG 26 1HH2 ARG 26 7.619 -12.158 5.690 224 HH22 ARG 26 2HH2 ARG 26 7.031 -13.788 5.493 225 H THR 27 H THR 27 12.768 -8.975 -0.177 226 HA THR 27 HA THR 27 13.496 -6.731 1.449 227 HB THR 27 HB THR 27 11.819 -6.048 -0.802 228 HG1 THR 27 1HG THR 27 14.136 -7.605 -1.410 229 HG21 THR 27 3HG2 THR 27 13.862 -4.844 -1.499 230 HG22 THR 27 1HG2 THR 27 14.749 -5.641 -0.201 231 HG23 THR 27 2HG2 THR 27 13.431 -4.530 0.182 232 H VAL 28 H VAL 28 11.987 -4.957 1.880 233 HA VAL 28 HA VAL 28 9.179 -5.702 2.172 234 HB VAL 28 HB VAL 28 9.120 -4.792 4.500 235 HG11 VAL 28 1HG1 VAL 28 9.127 -7.198 4.166 236 HG12 VAL 28 2HG1 VAL 28 10.053 -6.776 5.608 237 HG13 VAL 28 3HG1 VAL 28 10.890 -7.204 4.116 238 HG21 VAL 28 3HG2 VAL 28 12.124 -4.974 4.330 239 HG22 VAL 28 1HG2 VAL 28 11.187 -4.592 5.773 240 HG23 VAL 28 2HG2 VAL 28 11.185 -3.483 4.399 241 H PHE 29 H PHE 29 7.866 -3.759 2.820 242 HA PHE 29 HA PHE 29 8.921 -1.353 1.567 243 HB2 PHE 29 2HB PHE 29 6.172 -2.127 2.546 244 HB3 PHE 29 1HB PHE 29 6.559 -0.515 1.967 245 HD1 PHE 29 2HD PHE 29 6.066 -4.013 1.026 246 HD2 PHE 29 1HD PHE 29 6.945 -0.088 -0.371 247 HE1 PHE 29 2HE PHE 29 5.611 -4.736 -1.281 248 HE2 PHE 29 1HE PHE 29 6.494 -0.807 -2.681 249 HZ PHE 29 HZ PHE 29 5.827 -3.132 -3.137 250 H SER 30 H SER 30 8.518 0.753 2.702 251 HA SER 30 HA SER 30 9.646 0.598 5.333 252 HB2 SER 30 2HB SER 30 8.542 3.038 3.919 253 HB3 SER 30 1HB SER 30 9.698 3.013 5.251 254 HG SER 30 HG SER 30 10.090 2.115 2.584 255 H SER 31 H SER 31 8.684 1.458 7.262 256 HA SER 31 HA SER 31 6.090 0.570 7.778 257 HB2 SER 31 2HB SER 31 7.534 2.740 9.314 258 HB3 SER 31 1HB SER 31 6.330 1.607 9.930 259 HG SER 31 HG SER 31 7.883 0.244 10.287 260 H THR 32 H THR 32 7.323 3.756 6.938 261 HA THR 32 HA THR 32 4.981 5.247 7.222 262 HB THR 32 HB THR 32 7.030 5.730 5.068 263 HG1 THR 32 1HG THR 32 8.171 6.884 6.801 264 HG21 THR 32 3HG2 THR 32 5.410 7.593 6.815 265 HG22 THR 32 1HG2 THR 32 5.092 7.232 5.118 266 HG23 THR 32 2HG2 THR 32 6.567 8.085 5.577 267 H GLN 33 H GLN 33 6.277 3.525 4.389 268 HA GLN 33 HA GLN 33 4.275 4.278 2.571 269 HB2 GLN 33 2HB GLN 33 5.985 1.783 2.613 270 HB3 GLN 33 1HB GLN 33 5.024 2.319 1.243 271 HG2 GLN 33 2HG GLN 33 6.355 4.312 1.033 272 HG3 GLN 33 1HG GLN 33 7.268 3.892 2.478 273 HE21 GLN 33 1HE2 GLN 33 6.734 3.238 -0.865 274 HE22 GLN 33 2HE2 GLN 33 8.135 2.258 -1.114 275 H LEU 34 H LEU 34 4.609 1.362 4.575 276 HA LEU 34 HA LEU 34 2.218 0.118 3.821 277 HB2 LEU 34 2HB LEU 34 3.635 0.034 6.488 278 HB3 LEU 34 1HB LEU 34 2.383 -1.081 5.977 279 HG LEU 34 HG LEU 34 5.071 -0.781 4.638 280 HD11 LEU 34 1HD1 LEU 34 4.025 -2.908 6.499 281 HD12 LEU 34 2HD1 LEU 34 5.299 -1.742 6.855 282 HD13 LEU 34 3HD1 LEU 34 5.552 -2.977 5.621 283 HD21 LEU 34 3HD2 LEU 34 3.325 -1.495 3.103 284 HD22 LEU 34 1HD2 LEU 34 2.845 -2.771 4.225 285 HD23 LEU 34 2HD2 LEU 34 4.430 -2.825 3.452 286 H CYS 35 H CYS 35 2.893 2.433 6.411 287 HA CYS 35 HA CYS 35 0.323 2.479 7.529 288 HB2 CYS 35 2HB CYS 35 2.383 3.448 8.574 289 HB3 CYS 35 1HB CYS 35 2.288 4.776 7.424 290 HG CYS 35 HG CYS 35 -0.569 5.077 8.529 291 H VAL 36 H VAL 36 1.784 4.486 4.978 292 HA VAL 36 HA VAL 36 -0.408 6.193 4.598 293 HB VAL 36 HB VAL 36 1.721 5.327 2.634 294 HG11 VAL 36 1HG1 VAL 36 -0.284 6.149 1.464 295 HG12 VAL 36 2HG1 VAL 36 1.089 7.239 1.281 296 HG13 VAL 36 3HG1 VAL 36 -0.207 7.639 2.408 297 HG21 VAL 36 3HG2 VAL 36 2.712 7.508 3.144 298 HG22 VAL 36 1HG2 VAL 36 2.571 6.510 4.591 299 HG23 VAL 36 2HG2 VAL 36 1.425 7.821 4.309 300 H LEU 37 H LEU 37 0.397 3.099 3.032 301 HA LEU 37 HA LEU 37 -1.790 3.061 1.257 302 HB2 LEU 37 2HB LEU 37 -0.285 0.773 2.529 303 HB3 LEU 37 1HB LEU 37 -1.414 0.601 1.200 304 HG LEU 37 HG LEU 37 1.150 2.197 1.087 305 HD11 LEU 37 1HD1 LEU 37 1.981 0.389 -0.328 306 HD12 LEU 37 2HD1 LEU 37 0.493 -0.518 -0.050 307 HD13 LEU 37 3HD1 LEU 37 1.591 -0.189 1.290 308 HD21 LEU 37 3HD2 LEU 37 -0.782 1.415 -1.095 309 HD22 LEU 37 1HD2 LEU 37 0.727 2.303 -1.304 310 HD23 LEU 37 2HD2 LEU 37 -0.607 3.030 -0.408 311 H ASN 38 H ASN 38 -1.407 1.827 4.545 312 HA ASN 38 HA ASN 38 -3.973 0.640 4.749 313 HB2 ASN 38 2HB ASN 38 -2.106 0.019 6.213 314 HB3 ASN 38 1HB ASN 38 -2.086 1.637 6.900 315 HD21 ASN 38 1HD2 ASN 38 -2.344 0.698 8.950 316 HD22 ASN 38 2HD2 ASN 38 -3.898 0.149 9.488 317 H ASP 39 H ASP 39 -2.714 3.824 5.631 318 HA ASP 39 HA ASP 39 -5.123 4.735 6.787 319 HB2 ASP 39 2HB ASP 39 -2.591 6.029 5.921 320 HB3 ASP 39 1HB ASP 39 -4.004 7.060 6.131 321 H ARG 40 H ARG 40 -3.927 4.749 3.476 322 HA ARG 40 HA ARG 40 -5.908 6.441 2.426 323 HB2 ARG 40 2HB ARG 40 -4.062 4.418 1.328 324 HB3 ARG 40 1HB ARG 40 -5.497 4.739 0.367 325 HG2 ARG 40 2HG ARG 40 -3.445 6.090 -0.200 326 HG3 ARG 40 1HG ARG 40 -4.928 7.002 0.073 327 HD2 ARG 40 2HD ARG 40 -3.025 6.543 2.332 328 HD3 ARG 40 1HD ARG 40 -2.676 7.786 1.138 329 HE ARG 40 HE ARG 40 -5.267 8.261 1.920 330 HH11 ARG 40 1HH1 ARG 40 -2.195 7.990 3.565 331 HH12 ARG 40 2HH1 ARG 40 -2.592 9.143 4.801 332 HH21 ARG 40 1HH2 ARG 40 -5.824 9.761 3.544 333 HH22 ARG 40 2HH2 ARG 40 -4.677 10.150 4.785 334 H PHE 41 H PHE 41 -5.916 2.956 3.042 335 HA PHE 41 HA PHE 41 -8.579 2.619 2.035 336 HB2 PHE 41 2HB PHE 41 -6.734 0.859 3.636 337 HB3 PHE 41 1HB PHE 41 -8.388 0.379 3.252 338 HD1 PHE 41 1HD PHE 41 -8.750 1.396 0.590 339 HD2 PHE 41 2HD PHE 41 -5.354 -0.487 2.321 340 HE1 PHE 41 1HE PHE 41 -8.054 0.645 -1.623 341 HE2 PHE 41 2HE PHE 41 -4.643 -1.255 0.091 342 HZ PHE 41 HZ PHE 41 -5.993 -0.686 -1.892 343 H GLN 42 H GLN 42 -7.187 3.420 5.126 344 HA GLN 42 HA GLN 42 -9.617 2.869 6.584 345 HB2 GLN 42 2HB GLN 42 -7.292 2.636 7.523 346 HB3 GLN 42 1HB GLN 42 -7.185 4.388 7.531 347 HG2 GLN 42 2HG GLN 42 -9.496 3.159 8.914 348 HG3 GLN 42 1HG GLN 42 -7.909 2.973 9.656 349 HE21 GLN 42 1HE2 GLN 42 -10.460 5.171 8.852 350 HE22 GLN 42 2HE2 GLN 42 -9.844 6.528 9.739 351 H ARG 43 H ARG 43 -7.862 5.833 5.633 352 HA ARG 43 HA ARG 43 -9.859 7.548 6.810 353 HB2 ARG 43 2HB ARG 43 -7.733 8.377 4.839 354 HB3 ARG 43 1HB ARG 43 -8.545 9.380 6.028 355 HG2 ARG 43 2HG ARG 43 -6.669 7.131 6.704 356 HG3 ARG 43 1HG ARG 43 -6.197 8.823 6.582 357 HD2 ARG 43 2HD ARG 43 -7.834 9.356 8.366 358 HD3 ARG 43 1HD ARG 43 -8.168 7.629 8.527 359 HE ARG 43 HE ARG 43 -5.589 7.545 8.916 360 HH11 ARG 43 1HH1 ARG 43 -7.808 10.003 10.082 361 HH12 ARG 43 2HH1 ARG 43 -6.810 10.429 11.436 362 HH21 ARG 43 1HH2 ARG 43 -4.305 8.091 10.696 363 HH22 ARG 43 2HH2 ARG 43 -4.827 9.339 11.796 364 H GLN 44 H GLN 44 -8.996 6.438 3.582 365 HA GLN 44 HA GLN 44 -11.299 7.879 2.455 366 HB2 GLN 44 2HB GLN 44 -8.811 6.705 1.220 367 HB3 GLN 44 1HB GLN 44 -10.233 7.021 0.242 368 HG2 GLN 44 2HG GLN 44 -8.675 8.830 0.017 369 HG3 GLN 44 1HG GLN 44 -10.109 9.396 0.866 370 HE21 GLN 44 1HE2 GLN 44 -9.939 10.077 2.961 371 HE22 GLN 44 2HE2 GLN 44 -8.422 10.338 3.751 372 H LYS 45 H LYS 45 -12.194 6.405 0.467 373 HA LYS 45 HA LYS 45 -13.014 3.930 1.745 374 HB2 LYS 45 2HB LYS 45 -14.573 5.589 0.533 375 HB3 LYS 45 1HB LYS 45 -13.900 4.933 -0.955 376 HG2 LYS 45 2HG LYS 45 -15.958 3.838 -0.452 377 HG3 LYS 45 1HG LYS 45 -14.637 2.687 -0.257 378 HD2 LYS 45 2HD LYS 45 -14.670 3.166 2.184 379 HD3 LYS 45 1HD LYS 45 -16.096 4.173 1.925 380 HE2 LYS 45 2HE LYS 45 -17.221 2.168 0.940 381 HE3 LYS 45 1HE LYS 45 -15.831 1.210 1.454 382 HZ1 LYS 45 3HZ LYS 45 -16.273 1.963 3.748 383 HZ2 LYS 45 1HZ LYS 45 -17.547 1.052 3.091 384 HZ3 LYS 45 2HZ LYS 45 -17.677 2.741 3.199 385 H TYR 46 H TYR 46 -11.699 5.006 -1.368 386 HA TYR 46 HA TYR 46 -9.882 2.765 -1.473 387 HB2 TYR 46 2HB TYR 46 -12.148 3.048 -3.451 388 HB3 TYR 46 1HB TYR 46 -10.654 2.215 -3.866 389 HD1 TYR 46 2HD TYR 46 -9.924 0.372 -2.106 390 HD2 TYR 46 1HD TYR 46 -13.901 1.783 -2.635 391 HE1 TYR 46 2HE TYR 46 -10.783 -1.684 -1.077 392 HE2 TYR 46 1HE TYR 46 -14.773 -0.273 -1.603 393 HH TYR 46 HH TYR 46 -12.936 -2.327 0.199 394 H LEU 47 H LEU 47 -8.675 2.924 -3.712 395 HA LEU 47 HA LEU 47 -8.040 5.759 -4.101 396 HB2 LEU 47 2HB LEU 47 -6.459 3.249 -4.641 397 HB3 LEU 47 1HB LEU 47 -5.973 4.817 -5.248 398 HG LEU 47 HG LEU 47 -5.942 5.593 -2.819 399 HD11 LEU 47 1HD1 LEU 47 -5.638 3.862 -1.129 400 HD12 LEU 47 2HD1 LEU 47 -5.993 2.619 -2.329 401 HD13 LEU 47 3HD1 LEU 47 -7.242 3.770 -1.857 402 HD21 LEU 47 3HD2 LEU 47 -3.999 3.461 -3.701 403 HD22 LEU 47 1HD2 LEU 47 -3.710 4.672 -2.453 404 HD23 LEU 47 2HD2 LEU 47 -3.929 5.170 -4.130 405 H SER 48 H SER 48 -8.508 6.724 -5.969 406 HA SER 48 HA SER 48 -9.772 5.226 -8.072 407 HB2 SER 48 2HB SER 48 -10.059 7.483 -9.103 408 HB3 SER 48 1HB SER 48 -10.689 7.402 -7.455 409 HG SER 48 HG SER 48 -9.484 9.258 -7.587 410 H LEU 49 H LEU 49 -9.024 6.273 -10.373 411 HA LEU 49 HA LEU 49 -6.527 5.059 -10.890 412 HB2 LEU 49 2HB LEU 49 -8.485 6.658 -12.492 413 HB3 LEU 49 1HB LEU 49 -6.915 6.287 -13.151 414 HG LEU 49 HG LEU 49 -7.410 3.855 -12.801 415 HD11 LEU 49 1HD1 LEU 49 -9.138 4.130 -11.080 416 HD12 LEU 49 2HD1 LEU 49 -9.689 3.156 -12.442 417 HD13 LEU 49 3HD1 LEU 49 -10.211 4.834 -12.291 418 HD21 LEU 49 3HD2 LEU 49 -7.629 4.855 -14.983 419 HD22 LEU 49 1HD2 LEU 49 -9.253 5.422 -14.595 420 HD23 LEU 49 2HD2 LEU 49 -8.930 3.693 -14.727 421 H GLN 50 H GLN 50 -7.584 8.333 -10.292 422 HA GLN 50 HA GLN 50 -5.053 9.510 -10.925 423 HB2 GLN 50 2HB GLN 50 -7.106 10.862 -10.954 424 HB3 GLN 50 1HB GLN 50 -7.306 10.601 -9.224 425 HG2 GLN 50 2HG GLN 50 -5.145 11.731 -8.842 426 HG3 GLN 50 1HG GLN 50 -5.043 12.058 -10.569 427 HE21 GLN 50 1HE2 GLN 50 -5.124 13.881 -8.289 428 HE22 GLN 50 2HE2 GLN 50 -6.491 14.914 -8.567 429 H GLN 51 H GLN 51 -6.674 8.454 -7.939 430 HA GLN 51 HA GLN 51 -4.753 9.470 -6.175 431 HB2 GLN 51 2HB GLN 51 -6.735 7.223 -5.866 432 HB3 GLN 51 1HB GLN 51 -5.731 7.812 -4.553 433 HG2 GLN 51 2HG GLN 51 -6.725 10.034 -4.788 434 HG3 GLN 51 1HG GLN 51 -7.745 9.430 -6.093 435 HE21 GLN 51 1HE2 GLN 51 -6.935 7.581 -3.243 436 HE22 GLN 51 2HE2 GLN 51 -8.525 7.566 -2.569 437 H MET 52 H MET 52 -4.902 6.374 -7.881 438 HA MET 52 HA MET 52 -2.834 5.152 -6.378 439 HB2 MET 52 2HB MET 52 -2.673 3.534 -8.259 440 HB3 MET 52 1HB MET 52 -4.307 3.750 -7.652 441 HG2 MET 52 2HG MET 52 -4.757 5.271 -9.551 442 HG3 MET 52 1HG MET 52 -3.152 4.903 -10.175 443 HE1 MET 52 3HE MET 52 -6.487 1.741 -9.715 444 HE2 MET 52 1HE MET 52 -6.692 3.439 -9.279 445 HE3 MET 52 2HE MET 52 -5.591 2.416 -8.355 446 H GLN 53 H GLN 53 -2.753 7.030 -9.413 447 HA GLN 53 HA GLN 53 0.094 6.777 -9.651 448 HB2 GLN 53 2HB GLN 53 -0.063 8.429 -11.432 449 HB3 GLN 53 1HB GLN 53 -1.319 7.217 -11.625 450 HG2 GLN 53 2HG GLN 53 -2.958 8.750 -10.685 451 HG3 GLN 53 1HG GLN 53 -1.698 9.959 -10.450 452 HE21 GLN 53 1HE2 GLN 53 -0.830 11.005 -12.227 453 HE22 GLN 53 2HE2 GLN 53 -1.650 11.040 -13.753 454 H GLU 54 H GLU 54 -2.122 9.090 -8.261 455 HA GLU 54 HA GLU 54 -0.322 11.187 -7.763 456 HB2 GLU 54 2HB GLU 54 -2.876 11.167 -7.683 457 HB3 GLU 54 1HB GLU 54 -2.720 10.473 -6.078 458 HG2 GLU 54 2HG GLU 54 -1.764 12.423 -5.208 459 HG3 GLU 54 1HG GLU 54 -1.421 13.069 -6.815 460 H LEU 55 H LEU 55 -1.200 8.309 -5.924 461 HA LEU 55 HA LEU 55 0.375 9.068 -3.652 462 HB2 LEU 55 2HB LEU 55 -1.681 7.673 -3.493 463 HB3 LEU 55 1HB LEU 55 -0.811 6.377 -4.295 464 HG LEU 55 HG LEU 55 0.789 6.300 -2.423 465 HD11 LEU 55 1HD1 LEU 55 0.334 7.538 -0.381 466 HD12 LEU 55 2HD1 LEU 55 -1.035 8.336 -1.153 467 HD13 LEU 55 3HD1 LEU 55 0.604 8.641 -1.730 468 HD21 LEU 55 3HD2 LEU 55 -0.716 5.299 -0.797 469 HD22 LEU 55 1HD2 LEU 55 -1.190 4.851 -2.436 470 HD23 LEU 55 2HD2 LEU 55 -2.094 6.090 -1.564 471 H SER 56 H SER 56 0.772 6.904 -6.410 472 HA SER 56 HA SER 56 3.092 5.598 -5.590 473 HB2 SER 56 2HB SER 56 3.549 5.201 -7.984 474 HB3 SER 56 1HB SER 56 1.862 4.896 -7.580 475 HG SER 56 HG SER 56 1.840 7.359 -8.285 476 H ASN 57 H ASN 57 2.638 8.806 -6.912 477 HA ASN 57 HA ASN 57 5.368 9.313 -7.502 478 HB2 ASN 57 2HB ASN 57 3.381 10.561 -8.433 479 HB3 ASN 57 1HB ASN 57 3.235 11.355 -6.868 480 HD21 ASN 57 1HD2 ASN 57 6.279 10.506 -8.378 481 HD22 ASN 57 2HD2 ASN 57 6.802 12.129 -8.672 482 H ILE 58 H ILE 58 3.375 9.710 -4.640 483 HA ILE 58 HA ILE 58 5.176 11.407 -3.234 484 HB ILE 58 HB ILE 58 3.028 9.645 -2.049 485 HG12 ILE 58 2HG1 ILE 58 2.825 12.432 -3.203 486 HG13 ILE 58 1HG1 ILE 58 2.062 10.982 -3.836 487 HG21 ILE 58 1HG2 ILE 58 4.517 10.569 -0.391 488 HG22 ILE 58 2HG2 ILE 58 2.964 11.403 -0.306 489 HG23 ILE 58 3HG2 ILE 58 4.343 12.180 -1.085 490 HD11 ILE 58 3HD1 ILE 58 0.467 12.366 -2.645 491 HD12 ILE 58 1HD1 ILE 58 1.457 12.275 -1.189 492 HD13 ILE 58 2HD1 ILE 58 0.692 10.819 -1.827 493 H LEU 59 H LEU 59 4.459 7.927 -3.104 494 HA LEU 59 HA LEU 59 6.434 7.495 -1.044 495 HB2 LEU 59 2HB LEU 59 4.759 5.551 -2.627 496 HB3 LEU 59 1HB LEU 59 5.809 5.103 -1.298 497 HG LEU 59 HG LEU 59 3.408 6.914 -1.072 498 HD11 LEU 59 1HD1 LEU 59 2.385 5.040 0.124 499 HD12 LEU 59 2HD1 LEU 59 3.795 4.046 -0.242 500 HD13 LEU 59 3HD1 LEU 59 2.759 4.624 -1.547 501 HD21 LEU 59 3HD2 LEU 59 3.738 6.678 1.339 502 HD22 LEU 59 1HD2 LEU 59 5.127 7.443 0.568 503 HD23 LEU 59 2HD2 LEU 59 5.206 5.747 1.043 504 H ASN 60 H ASN 60 6.835 8.175 -4.124 505 HA ASN 60 HA ASN 60 8.335 7.787 -5.763 506 HB2 ASN 60 2HB ASN 60 9.899 8.356 -3.884 507 HB3 ASN 60 1HB ASN 60 10.092 6.630 -3.589 508 HD21 ASN 60 1HD2 ASN 60 11.327 5.410 -4.991 509 HD22 ASN 60 2HD2 ASN 60 12.295 6.106 -6.250 510 H LEU 61 H LEU 61 6.575 6.160 -6.204 511 HA LEU 61 HA LEU 61 7.875 3.592 -6.754 512 HB2 LEU 61 2HB LEU 61 5.095 3.973 -5.630 513 HB3 LEU 61 1HB LEU 61 5.660 2.478 -6.343 514 HG LEU 61 HG LEU 61 6.857 3.774 -3.893 515 HD11 LEU 61 1HD1 LEU 61 4.613 2.971 -3.447 516 HD12 LEU 61 2HD1 LEU 61 5.805 1.922 -2.678 517 HD13 LEU 61 3HD1 LEU 61 5.009 1.410 -4.165 518 HD21 LEU 61 3HD2 LEU 61 7.348 1.081 -5.166 519 HD22 LEU 61 1HD2 LEU 61 8.038 1.643 -3.643 520 HD23 LEU 61 2HD2 LEU 61 8.469 2.444 -5.154 521 H SER 62 H SER 62 6.494 2.376 -8.413 522 HA SER 62 HA SER 62 5.941 4.223 -10.569 523 HB2 SER 62 2HB SER 62 7.276 2.300 -11.113 524 HB3 SER 62 1HB SER 62 6.079 1.207 -10.425 525 HG SER 62 HG SER 62 6.232 2.251 -12.915 526 H TYR 63 H TYR 63 3.999 4.425 -11.627 527 HA TYR 63 HA TYR 63 1.607 4.223 -10.219 528 HB2 TYR 63 2HB TYR 63 1.626 5.746 -12.012 529 HB3 TYR 63 1HB TYR 63 2.281 4.562 -13.133 530 HD1 TYR 63 2HD TYR 63 -0.791 5.402 -11.201 531 HD2 TYR 63 1HD TYR 63 0.865 3.387 -14.561 532 HE1 TYR 63 2HE TYR 63 -3.057 4.938 -12.033 533 HE2 TYR 63 1HE TYR 63 -1.394 2.918 -15.400 534 HH TYR 63 HH TYR 63 -4.160 4.438 -14.183 535 H LYS 64 H LYS 64 3.212 2.020 -12.412 536 HA LYS 64 HA LYS 64 1.059 0.188 -12.666 537 HB2 LYS 64 2HB LYS 64 4.027 -0.151 -13.137 538 HB3 LYS 64 1HB LYS 64 2.795 -1.308 -13.610 539 HG2 LYS 64 2HG LYS 64 1.797 0.322 -15.103 540 HG3 LYS 64 1HG LYS 64 2.993 1.522 -14.607 541 HD2 LYS 64 2HD LYS 64 4.783 0.126 -15.503 542 HD3 LYS 64 1HD LYS 64 3.603 -1.100 -15.973 543 HE2 LYS 64 2HE LYS 64 4.257 0.282 -17.876 544 HE3 LYS 64 1HE LYS 64 2.547 0.477 -17.496 545 HZ1 LYS 64 3HZ LYS 64 4.716 2.356 -16.712 546 HZ2 LYS 64 1HZ LYS 64 3.070 2.544 -16.355 547 HZ3 LYS 64 2HZ LYS 64 3.597 2.603 -17.962 548 H GLN 65 H GLN 65 3.806 0.536 -10.517 549 HA GLN 65 HA GLN 65 3.564 -1.954 -9.195 550 HB2 GLN 65 2HB GLN 65 4.709 0.676 -8.239 551 HB3 GLN 65 1HB GLN 65 4.860 -0.842 -7.367 552 HG2 GLN 65 2HG GLN 65 5.912 -0.351 -10.143 553 HG3 GLN 65 1HG GLN 65 6.867 -0.229 -8.668 554 HE21 GLN 65 1HE2 GLN 65 7.413 -2.087 -7.553 555 HE22 GLN 65 2HE2 GLN 65 7.286 -3.665 -8.250 556 H VAL 66 H VAL 66 2.250 1.284 -8.535 557 HA VAL 66 HA VAL 66 0.923 0.426 -6.133 558 HB VAL 66 HB VAL 66 0.588 2.943 -7.770 559 HG11 VAL 66 1HG1 VAL 66 -0.680 3.829 -5.868 560 HG12 VAL 66 2HG1 VAL 66 -0.607 2.252 -5.081 561 HG13 VAL 66 3HG1 VAL 66 -1.502 2.445 -6.588 562 HG21 VAL 66 3HG2 VAL 66 2.742 2.675 -6.648 563 HG22 VAL 66 1HG2 VAL 66 1.914 2.386 -5.117 564 HG23 VAL 66 2HG2 VAL 66 1.794 3.961 -5.900 565 H LYS 67 H LYS 67 -0.050 0.871 -9.490 566 HA LYS 67 HA LYS 67 -2.788 0.377 -9.256 567 HB2 LYS 67 2HB LYS 67 -1.197 0.982 -11.304 568 HB3 LYS 67 1HB LYS 67 -1.264 -0.752 -11.565 569 HG2 LYS 67 2HG LYS 67 -3.659 1.069 -11.430 570 HG3 LYS 67 1HG LYS 67 -2.892 0.510 -12.914 571 HD2 LYS 67 2HD LYS 67 -3.360 -1.840 -12.146 572 HD3 LYS 67 1HD LYS 67 -4.328 -1.142 -10.845 573 HE2 LYS 67 2HE LYS 67 -4.777 -0.805 -13.808 574 HE3 LYS 67 1HE LYS 67 -5.758 -1.764 -12.703 575 HZ1 LYS 67 3HZ LYS 67 -5.380 1.149 -12.357 576 HZ2 LYS 67 1HZ LYS 67 -6.553 0.157 -11.641 577 HZ3 LYS 67 2HZ LYS 67 -6.630 0.508 -13.301 578 H THR 68 H THR 68 -0.080 -1.827 -9.682 579 HA THR 68 HA THR 68 -1.555 -4.213 -9.831 580 HB THR 68 HB THR 68 1.311 -3.746 -8.989 581 HG1 THR 68 1HG THR 68 1.034 -3.194 -11.119 582 HG21 THR 68 3HG2 THR 68 1.662 -6.128 -9.444 583 HG22 THR 68 1HG2 THR 68 -0.066 -6.328 -9.743 584 HG23 THR 68 2HG2 THR 68 0.506 -5.895 -8.132 585 H TRP 69 H TRP 69 0.102 -2.656 -7.080 586 HA TRP 69 HA TRP 69 -0.484 -4.668 -5.209 587 HB2 TRP 69 2HB TRP 69 1.187 -2.792 -4.917 588 HB3 TRP 69 1HB TRP 69 -0.176 -1.730 -4.579 589 HD1 TRP 69 HD TRP 69 1.793 -4.640 -3.073 590 HE1 TRP 69 1HE TRP 69 1.250 -4.794 -0.564 591 HE3 TRP 69 3HE TRP 69 -1.985 -1.200 -2.843 592 HZ2 TRP 69 2HZ TRP 69 -0.550 -3.627 1.269 593 HZ3 TRP 69 3HZ TRP 69 -3.068 -0.788 -0.674 594 HH2 TRP 69 HH TRP 69 -2.364 -1.977 1.338 595 H PHE 70 H PHE 70 -2.220 -1.693 -6.059 596 HA PHE 70 HA PHE 70 -4.277 -1.879 -4.171 597 HB2 PHE 70 2HB PHE 70 -3.907 0.134 -5.503 598 HB3 PHE 70 1HB PHE 70 -4.342 -0.732 -6.972 599 HD1 PHE 70 2HD PHE 70 -5.700 0.380 -3.697 600 HD2 PHE 70 1HD PHE 70 -6.544 -0.789 -7.702 601 HE1 PHE 70 2HE PHE 70 -8.049 1.038 -3.390 602 HE2 PHE 70 1HE PHE 70 -8.897 -0.132 -7.400 603 HZ PHE 70 HZ PHE 70 -9.651 0.785 -5.240 604 H GLN 71 H GLN 71 -4.095 -3.152 -7.481 605 HA GLN 71 HA GLN 71 -6.716 -4.258 -7.458 606 HB2 GLN 71 2HB GLN 71 -5.368 -3.661 -9.503 607 HB3 GLN 71 1HB GLN 71 -4.381 -5.081 -9.193 608 HG2 GLN 71 2HG GLN 71 -5.984 -5.619 -10.873 609 HG3 GLN 71 1HG GLN 71 -6.412 -6.480 -9.396 610 HE21 GLN 71 1HE2 GLN 71 -6.995 -3.067 -9.820 611 HE22 GLN 71 2HE2 GLN 71 -8.718 -3.173 -9.920 612 H ASN 72 H ASN 72 -3.513 -5.552 -6.832 613 HA ASN 72 HA ASN 72 -4.205 -8.267 -6.614 614 HB2 ASN 72 2HB ASN 72 -1.909 -7.679 -6.956 615 HB3 ASN 72 1HB ASN 72 -1.887 -6.670 -5.516 616 HD21 ASN 72 1HD2 ASN 72 -1.812 -9.919 -6.745 617 HD22 ASN 72 2HD2 ASN 72 -1.299 -10.675 -5.275 618 H GLN 73 H GLN 73 -3.702 -5.768 -4.132 619 HA GLN 73 HA GLN 73 -4.278 -7.380 -1.917 620 HB2 GLN 73 2HB GLN 73 -3.232 -5.131 -1.812 621 HB3 GLN 73 1HB GLN 73 -4.784 -4.413 -2.216 622 HG2 GLN 73 2HG GLN 73 -4.345 -4.272 0.162 623 HG3 GLN 73 1HG GLN 73 -5.742 -5.298 -0.160 624 HE21 GLN 73 1HE2 GLN 73 -5.570 -6.379 1.781 625 HE22 GLN 73 2HE2 GLN 73 -4.309 -7.510 2.110 626 H ARG 74 H ARG 74 -6.362 -5.484 -4.033 627 HA ARG 74 HA ARG 74 -8.757 -5.931 -2.598 628 HB2 ARG 74 2HB ARG 74 -8.583 -4.130 -4.216 629 HB3 ARG 74 1HB ARG 74 -8.291 -5.277 -5.511 630 HG2 ARG 74 2HG ARG 74 -10.549 -4.441 -5.627 631 HG3 ARG 74 1HG ARG 74 -10.564 -6.158 -5.235 632 HD2 ARG 74 2HD ARG 74 -10.726 -4.046 -3.105 633 HD3 ARG 74 1HD ARG 74 -12.159 -4.620 -3.953 634 HE ARG 74 HE ARG 74 -10.770 -6.851 -3.006 635 HH11 ARG 74 1HH1 ARG 74 -12.556 -4.119 -1.720 636 HH12 ARG 74 2HH1 ARG 74 -13.053 -4.959 -0.281 637 HH21 ARG 74 1HH2 ARG 74 -11.406 -7.943 -1.109 638 HH22 ARG 74 2HH2 ARG 74 -12.373 -7.127 0.081 639 H MET 75 H MET 75 -7.281 -7.612 -5.391 640 HA MET 75 HA MET 75 -9.532 -9.335 -5.711 641 HB2 MET 75 2HB MET 75 -8.251 -10.506 -7.371 642 HB3 MET 75 1HB MET 75 -7.984 -8.781 -7.563 643 HG2 MET 75 2HG MET 75 -5.821 -8.956 -6.506 644 HG3 MET 75 1HG MET 75 -6.095 -10.664 -6.166 645 HE1 MET 75 3HE MET 75 -6.161 -12.174 -9.800 646 HE2 MET 75 1HE MET 75 -7.551 -11.545 -8.912 647 HE3 MET 75 2HE MET 75 -6.337 -12.514 -8.077 648 H LYS 76 H LYS 76 -6.468 -9.688 -3.962 649 HA LYS 76 HA LYS 76 -6.932 -12.504 -3.559 650 HB2 LYS 76 2HB LYS 76 -4.875 -12.571 -2.375 651 HB3 LYS 76 1HB LYS 76 -4.643 -11.528 -3.767 652 HG2 LYS 76 2HG LYS 76 -4.962 -9.570 -2.255 653 HG3 LYS 76 1HG LYS 76 -4.976 -10.697 -0.896 654 HD2 LYS 76 2HD LYS 76 -2.730 -10.256 -2.862 655 HD3 LYS 76 1HD LYS 76 -2.752 -9.790 -1.161 656 HE2 LYS 76 2HE LYS 76 -2.747 -12.079 -0.462 657 HE3 LYS 76 1HE LYS 76 -2.991 -12.637 -2.114 658 HZ1 LYS 76 3HZ LYS 76 -0.714 -12.933 -1.543 659 HZ2 LYS 76 1HZ LYS 76 -0.560 -11.326 -1.020 660 HZ3 LYS 76 2HZ LYS 76 -0.799 -11.665 -2.665 661 H SER 77 H SER 77 -7.567 -9.564 -1.798 662 HA SER 77 HA SER 77 -8.184 -10.876 0.672 663 HB2 SER 77 2HB SER 77 -7.608 -8.489 0.642 664 HB3 SER 77 1HB SER 77 -9.021 -8.150 -0.354 665 HG SER 77 HG SER 77 -9.507 -9.501 2.022 666 H LYS 78 H LYS 78 -9.834 -10.300 -2.302 667 HA LYS 78 HA LYS 78 -12.481 -10.694 -1.303 668 HB2 LYS 78 2HB LYS 78 -11.213 -10.228 -3.893 669 HB3 LYS 78 1HB LYS 78 -12.566 -11.346 -3.990 670 HG2 LYS 78 2HG LYS 78 -12.664 -8.584 -2.787 671 HG3 LYS 78 1HG LYS 78 -13.249 -9.032 -4.391 672 HD2 LYS 78 2HD LYS 78 -14.283 -10.044 -1.742 673 HD3 LYS 78 1HD LYS 78 -15.107 -8.940 -2.846 674 HE2 LYS 78 2HE LYS 78 -15.245 -10.669 -4.530 675 HE3 LYS 78 1HE LYS 78 -14.310 -11.769 -3.519 676 HZ1 LYS 78 3HZ LYS 78 -16.170 -11.486 -1.840 677 HZ2 LYS 78 1HZ LYS 78 -16.523 -12.395 -3.230 678 HZ3 LYS 78 2HZ LYS 78 -17.072 -10.797 -3.099 679 H ARG 79 H ARG 79 -9.913 -12.748 -2.426 680 HA ARG 79 HA ARG 79 -11.665 -15.078 -2.520 681 HB2 ARG 79 2HB ARG 79 -9.861 -14.713 -4.238 682 HB3 ARG 79 1HB ARG 79 -8.674 -14.959 -2.965 683 HG2 ARG 79 2HG ARG 79 -8.856 -17.017 -4.084 684 HG3 ARG 79 1HG ARG 79 -9.751 -17.214 -2.574 685 HD2 ARG 79 2HD ARG 79 -11.833 -16.615 -3.875 686 HD3 ARG 79 1HD ARG 79 -10.860 -16.762 -5.338 687 HE ARG 79 HE ARG 79 -11.712 -18.922 -3.559 688 HH11 ARG 79 1HH1 ARG 79 -9.855 -17.951 -6.385 689 HH12 ARG 79 2HH1 ARG 79 -9.804 -19.558 -7.041 690 HH21 ARG 79 1HH2 ARG 79 -11.628 -21.023 -4.444 691 HH22 ARG 79 2HH2 ARG 79 -10.799 -21.290 -5.948 692 H TRP 80 H TRP 80 -8.759 -13.986 -0.795 693 HA TRP 80 HA TRP 80 -9.300 -16.018 1.270 694 HB2 TRP 80 2HB TRP 80 -7.188 -16.264 -0.126 695 HB3 TRP 80 1HB TRP 80 -6.623 -14.770 0.609 696 HD1 TRP 80 HD TRP 80 -6.828 -15.030 3.557 697 HE1 TRP 80 1HE TRP 80 -5.782 -16.950 4.920 698 HE3 TRP 80 3HE TRP 80 -6.358 -18.496 -0.168 699 HZ2 TRP 80 2HZ TRP 80 -4.868 -19.579 4.462 700 HZ3 TRP 80 3HZ TRP 80 -5.382 -20.686 0.376 701 HH2 TRP 80 HH TRP 80 -4.652 -21.214 2.643 702 H GLN 81 H GLN 81 -10.415 -14.864 2.789 703 HA GLN 81 HA GLN 81 -9.516 -12.202 3.527 704 HB2 GLN 81 2HB GLN 81 -11.778 -13.903 4.594 705 HB3 GLN 81 1HB GLN 81 -11.428 -12.261 5.119 706 HG2 GLN 81 2HG GLN 81 -11.799 -11.487 2.805 707 HG3 GLN 81 1HG GLN 81 -12.248 -13.134 2.363 708 HE21 GLN 81 1HE2 GLN 81 -14.320 -12.499 1.768 709 HE22 GLN 81 2HE2 GLN 81 -15.524 -12.070 2.933 710 H LYS 82 H LYS 82 -7.471 -12.653 4.362 711 HA LYS 82 HA LYS 82 -7.249 -14.399 6.672 712 HB2 LYS 82 2HB LYS 82 -4.850 -13.792 6.624 713 HB3 LYS 82 1HB LYS 82 -5.419 -14.430 5.088 714 HG2 LYS 82 2HG LYS 82 -5.468 -12.246 4.121 715 HG3 LYS 82 1HG LYS 82 -5.127 -11.494 5.681 716 HD2 LYS 82 2HD LYS 82 -3.273 -13.372 4.217 717 HD3 LYS 82 1HD LYS 82 -3.138 -11.613 4.219 718 HE2 LYS 82 2HE LYS 82 -2.894 -11.675 6.681 719 HE3 LYS 82 1HE LYS 82 -2.928 -13.436 6.612 720 HZ1 LYS 82 3HZ LYS 82 -0.665 -12.573 6.726 721 HZ2 LYS 82 1HZ LYS 82 -0.911 -11.707 5.287 722 HZ3 LYS 82 2HZ LYS 82 -0.929 -13.403 5.272 723 H ASN 83 H ASN 83 -7.813 -11.089 6.037 724 HA ASN 83 HA ASN 83 -7.751 -10.526 8.892 725 HB2 ASN 83 2HB ASN 83 -6.481 -8.473 8.669 726 HB3 ASN 83 1HB ASN 83 -5.524 -9.796 8.012 727 HD21 ASN 83 1HD2 ASN 83 -7.288 -6.892 7.293 728 HD22 ASN 83 2HD2 ASN 83 -6.760 -6.736 5.656 729 H ASN 84 H ASN 84 -8.669 -8.234 9.252 730 HA ASN 84 HA ASN 84 -10.477 -7.328 7.159 731 HB2 ASN 84 2HB ASN 84 -11.757 -9.023 8.480 732 HB3 ASN 84 1HB ASN 84 -11.485 -8.056 9.926 733 HD21 ASN 84 1HD2 ASN 84 -12.467 -5.995 10.064 734 HD22 ASN 84 2HD2 ASN 84 -13.886 -5.629 9.143 Start of MODEL 9 1 H1 SER 1 H1 SER 1 -8.451 14.609 -6.576 2 H2 SER 1 H2 SER 1 -8.725 12.942 -6.664 3 H3 SER 1 H3 SER 1 -7.429 13.641 -7.516 4 HA SER 1 HA SER 1 -7.712 13.556 -4.572 5 HB2 SER 1 2HB SER 1 -5.829 12.033 -6.392 6 HB3 SER 1 1HB SER 1 -5.908 11.916 -4.633 7 HG SER 1 HG SER 1 -7.758 10.826 -4.761 8 H LYS 2 H LYS 2 -6.728 15.216 -3.666 9 HA LYS 2 HA LYS 2 -4.162 16.115 -4.747 10 HB2 LYS 2 2HB LYS 2 -6.065 17.558 -5.645 11 HB3 LYS 2 1HB LYS 2 -6.320 18.091 -3.990 12 HG2 LYS 2 2HG LYS 2 -4.091 19.032 -3.914 13 HG3 LYS 2 1HG LYS 2 -3.755 18.421 -5.534 14 HD2 LYS 2 2HD LYS 2 -5.883 20.436 -4.818 15 HD3 LYS 2 1HD LYS 2 -4.328 20.808 -5.562 16 HE2 LYS 2 2HE LYS 2 -4.952 19.381 -7.485 17 HE3 LYS 2 1HE LYS 2 -6.530 19.121 -6.746 18 HZ1 LYS 2 3HZ LYS 2 -5.425 21.743 -7.593 19 HZ2 LYS 2 1HZ LYS 2 -6.943 21.502 -6.881 20 HZ3 LYS 2 2HZ LYS 2 -6.617 20.858 -8.416 21 H GLN 3 H GLN 3 -5.101 14.550 -2.458 22 HA GLN 3 HA GLN 3 -3.965 16.156 -0.309 23 HB2 GLN 3 2HB GLN 3 -6.703 14.932 -0.261 24 HB3 GLN 3 1HB GLN 3 -5.800 15.165 1.231 25 HG2 GLN 3 2HG GLN 3 -6.434 17.355 -0.737 26 HG3 GLN 3 1HG GLN 3 -7.386 17.001 0.704 27 HE21 GLN 3 1HE2 GLN 3 -6.982 19.080 1.511 28 HE22 GLN 3 2HE2 GLN 3 -5.451 19.514 2.185 29 HA PRO 4 HA PRO 4 -1.981 12.046 -0.427 30 HB2 PRO 4 2HB PRO 4 0.353 12.981 0.625 31 HB3 PRO 4 1HB PRO 4 -0.034 13.038 -1.098 32 HG2 PRO 4 2HG PRO 4 -0.261 15.191 0.969 33 HG3 PRO 4 1HG PRO 4 0.359 15.293 -0.690 34 HD2 PRO 4 2HD PRO 4 -2.115 16.123 -0.045 35 HD3 PRO 4 1HD PRO 4 -1.759 15.363 -1.611 36 H THR 5 H THR 5 -3.093 14.016 2.012 37 HA THR 5 HA THR 5 -3.524 13.721 4.224 38 HB THR 5 HB THR 5 -2.165 11.025 3.995 39 HG1 THR 5 1HG THR 5 -4.279 10.209 3.761 40 HG21 THR 5 3HG2 THR 5 -2.344 11.870 6.294 41 HG22 THR 5 1HG2 THR 5 -3.400 10.481 6.031 42 HG23 THR 5 2HG2 THR 5 -4.077 12.108 6.067 43 H SER 6 H SER 6 -2.302 15.252 5.170 44 HA SER 6 HA SER 6 0.442 14.501 5.892 45 HB2 SER 6 2HB SER 6 -0.520 17.232 5.016 46 HB3 SER 6 1HB SER 6 1.094 16.883 5.639 47 HG SER 6 HG SER 6 0.594 15.131 3.728 48 H ALA 7 H ALA 7 0.821 14.495 7.962 49 HA ALA 7 HA ALA 7 -0.508 16.380 9.745 50 HB1 ALA 7 1HB ALA 7 -0.663 13.398 10.225 51 HB2 ALA 7 2HB ALA 7 -2.009 14.412 9.708 52 HB3 ALA 7 3HB ALA 7 -1.276 14.666 11.291 53 H GLU 8 H GLU 8 1.410 13.396 9.855 54 HA GLU 8 HA GLU 8 3.360 12.839 10.862 55 HB2 GLU 8 2HB GLU 8 4.013 15.671 10.023 56 HB3 GLU 8 1HB GLU 8 5.205 14.524 10.612 57 HG2 GLU 8 2HG GLU 8 5.391 14.461 8.284 58 HG3 GLU 8 1HG GLU 8 4.491 13.009 8.709 59 H ASN 9 H ASN 9 1.317 13.798 12.607 60 HA ASN 9 HA ASN 9 2.921 15.063 14.723 61 HB2 ASN 9 2HB ASN 9 1.421 16.727 13.814 62 HB3 ASN 9 1HB ASN 9 0.056 15.627 13.942 63 HD21 ASN 9 1HD2 ASN 9 -1.167 16.889 15.257 64 HD22 ASN 9 2HD2 ASN 9 -0.742 17.266 16.898 65 H SER 10 H SER 10 2.914 14.035 16.601 66 HA SER 10 HA SER 10 2.251 12.880 18.422 67 HB2 SER 10 2HB SER 10 0.053 13.938 18.159 68 HB3 SER 10 1HB SER 10 -0.437 12.652 17.059 69 HG SER 10 HG SER 10 -0.981 11.552 18.754 70 H VAL 11 H VAL 11 1.062 11.358 15.451 71 HA VAL 11 HA VAL 11 1.132 8.745 16.634 72 HB VAL 11 HB VAL 11 0.780 9.413 13.708 73 HG11 VAL 11 1HG1 VAL 11 1.297 7.076 14.114 74 HG12 VAL 11 2HG1 VAL 11 -0.391 7.251 13.631 75 HG13 VAL 11 3HG1 VAL 11 0.020 6.983 15.325 76 HG21 VAL 11 3HG2 VAL 11 -1.300 9.132 15.873 77 HG22 VAL 11 1HG2 VAL 11 -1.631 9.287 14.147 78 HG23 VAL 11 2HG2 VAL 11 -0.872 10.615 15.024 79 H ALA 12 H ALA 12 3.360 8.698 17.265 80 HA ALA 12 HA ALA 12 5.081 7.782 15.055 81 HB1 ALA 12 1HB ALA 12 5.906 8.721 17.808 82 HB2 ALA 12 2HB ALA 12 6.059 9.648 16.316 83 HB3 ALA 12 3HB ALA 12 6.995 8.169 16.535 84 H LYS 13 H LYS 13 3.946 5.783 15.056 85 HA LYS 13 HA LYS 13 4.430 4.082 17.409 86 HB2 LYS 13 2HB LYS 13 2.110 5.134 17.312 87 HB3 LYS 13 1HB LYS 13 1.824 4.141 15.893 88 HG2 LYS 13 2HG LYS 13 1.975 2.141 17.161 89 HG3 LYS 13 1HG LYS 13 2.594 3.012 18.570 90 HD2 LYS 13 2HD LYS 13 0.466 4.247 18.708 91 HD3 LYS 13 1HD LYS 13 -0.150 3.311 17.350 92 HE2 LYS 13 2HE LYS 13 -0.020 1.275 18.622 93 HE3 LYS 13 1HE LYS 13 0.777 2.113 19.954 94 HZ1 LYS 13 3HZ LYS 13 -1.968 2.737 18.999 95 HZ2 LYS 13 1HZ LYS 13 -1.202 3.359 20.376 96 HZ3 LYS 13 2HZ LYS 13 -1.629 1.721 20.314 97 H LYS 14 H LYS 14 4.112 4.451 13.994 98 HA LYS 14 HA LYS 14 4.562 3.135 12.213 99 HB2 LYS 14 2HB LYS 14 6.159 1.561 14.242 100 HB3 LYS 14 1HB LYS 14 6.255 1.342 12.500 101 HG2 LYS 14 2HG LYS 14 7.073 3.619 12.242 102 HG3 LYS 14 1HG LYS 14 6.937 3.876 13.982 103 HD2 LYS 14 2HD LYS 14 8.579 2.084 14.360 104 HD3 LYS 14 1HD LYS 14 8.725 1.864 12.615 105 HE2 LYS 14 2HE LYS 14 9.541 4.150 12.381 106 HE3 LYS 14 1HE LYS 14 9.358 4.402 14.116 107 HZ1 LYS 14 3HZ LYS 14 10.994 2.608 14.467 108 HZ2 LYS 14 1HZ LYS 14 11.639 3.928 13.620 109 HZ3 LYS 14 2HZ LYS 14 11.226 2.512 12.793 110 H GLU 15 H GLU 15 2.262 2.644 12.309 111 HA GLU 15 HA GLU 15 0.487 1.265 12.065 112 HB2 GLU 15 2HB GLU 15 2.643 -0.840 11.981 113 HB3 GLU 15 1HB GLU 15 0.938 -1.206 11.764 114 HG2 GLU 15 2HG GLU 15 0.936 0.420 9.852 115 HG3 GLU 15 1HG GLU 15 2.693 0.486 10.011 116 H ASP 16 H ASP 16 2.460 -0.952 13.988 117 HA ASP 16 HA ASP 16 0.612 -0.629 16.238 118 HB2 ASP 16 2HB ASP 16 -0.065 -2.563 14.668 119 HB3 ASP 16 1HB ASP 16 1.383 -3.373 15.250 120 H LYS 17 H LYS 17 1.813 -0.269 17.962 121 HA LYS 17 HA LYS 17 4.636 -0.827 17.933 122 HB2 LYS 17 2HB LYS 17 3.599 1.268 18.879 123 HB3 LYS 17 1HB LYS 17 2.968 0.289 20.194 124 HG2 LYS 17 2HG LYS 17 5.207 -0.245 20.927 125 HG3 LYS 17 1HG LYS 17 5.894 0.619 19.548 126 HD2 LYS 17 2HD LYS 17 4.858 2.701 20.370 127 HD3 LYS 17 1HD LYS 17 4.242 1.823 21.771 128 HE2 LYS 17 2HE LYS 17 6.500 1.336 22.499 129 HE3 LYS 17 1HE LYS 17 7.159 2.108 21.056 130 HZ1 LYS 17 3HZ LYS 17 7.238 3.554 23.015 131 HZ2 LYS 17 1HZ LYS 17 5.546 3.485 23.139 132 HZ3 LYS 17 2HZ LYS 17 6.271 4.212 21.788 133 H VAL 18 H VAL 18 4.313 -3.168 17.751 134 HA VAL 18 HA VAL 18 4.040 -4.387 20.404 135 HB VAL 18 HB VAL 18 1.940 -4.837 19.339 136 HG11 VAL 18 1HG1 VAL 18 1.764 -6.063 17.218 137 HG12 VAL 18 2HG1 VAL 18 3.515 -5.956 17.026 138 HG13 VAL 18 3HG1 VAL 18 2.535 -4.489 17.019 139 HG21 VAL 18 3HG2 VAL 18 1.933 -7.279 19.343 140 HG22 VAL 18 1HG2 VAL 18 2.895 -6.632 20.672 141 HG23 VAL 18 2HG2 VAL 18 3.694 -7.284 19.239 142 HA PRO 19 HA PRO 19 7.843 -6.115 18.631 143 HB2 PRO 19 2HB PRO 19 9.509 -5.372 20.601 144 HB3 PRO 19 1HB PRO 19 9.035 -4.265 19.312 145 HG2 PRO 19 2HG PRO 19 8.192 -4.328 22.143 146 HG3 PRO 19 1HG PRO 19 8.266 -2.962 21.020 147 HD2 PRO 19 2HD PRO 19 5.972 -4.487 21.761 148 HD3 PRO 19 1HD PRO 19 6.066 -3.183 20.564 149 H VAL 20 H VAL 20 6.672 -8.108 19.104 150 HA VAL 20 HA VAL 20 7.819 -9.441 21.442 151 HB VAL 20 HB VAL 20 5.020 -10.059 20.493 152 HG11 VAL 20 1HG1 VAL 20 6.149 -11.848 21.697 153 HG12 VAL 20 2HG1 VAL 20 4.819 -11.198 22.652 154 HG13 VAL 20 3HG1 VAL 20 6.482 -10.755 23.039 155 HG21 VAL 20 3HG2 VAL 20 5.804 -8.263 22.783 156 HG22 VAL 20 1HG2 VAL 20 4.173 -8.850 22.463 157 HG23 VAL 20 2HG2 VAL 20 4.969 -7.781 21.308 158 H LYS 21 H LYS 21 9.241 -9.718 19.406 159 HA LYS 21 HA LYS 21 10.068 -10.975 17.710 160 HB2 LYS 21 2HB LYS 21 8.294 -13.031 19.020 161 HB3 LYS 21 1HB LYS 21 9.281 -13.406 17.615 162 HG2 LYS 21 2HG LYS 21 11.271 -12.614 18.959 163 HG3 LYS 21 1HG LYS 21 10.195 -12.609 20.362 164 HD2 LYS 21 2HD LYS 21 9.742 -14.962 20.076 165 HD3 LYS 21 1HD LYS 21 10.689 -14.999 18.589 166 HE2 LYS 21 2HE LYS 21 12.683 -14.323 19.930 167 HE3 LYS 21 1HE LYS 21 11.700 -14.501 21.384 168 HZ1 LYS 21 3HZ LYS 21 13.038 -16.475 20.914 169 HZ2 LYS 21 1HZ LYS 21 12.252 -16.668 19.425 170 HZ3 LYS 21 2HZ LYS 21 11.378 -16.824 20.868 171 H LYS 22 H LYS 22 8.964 -12.880 16.065 172 HA LYS 22 HA LYS 22 7.708 -13.199 14.222 173 HB2 LYS 22 2HB LYS 22 5.854 -12.566 16.194 174 HB3 LYS 22 1HB LYS 22 5.437 -11.492 14.865 175 HG2 LYS 22 2HG LYS 22 5.572 -14.497 14.828 176 HG3 LYS 22 1HG LYS 22 4.151 -13.473 14.617 177 HD2 LYS 22 2HD LYS 22 5.121 -12.590 12.530 178 HD3 LYS 22 1HD LYS 22 6.506 -13.661 12.741 179 HE2 LYS 22 2HE LYS 22 4.987 -14.657 11.170 180 HE3 LYS 22 1HE LYS 22 4.963 -15.596 12.663 181 HZ1 LYS 22 3HZ LYS 22 2.907 -14.593 13.279 182 HZ2 LYS 22 1HZ LYS 22 2.741 -15.173 11.699 183 HZ3 LYS 22 2HZ LYS 22 2.961 -13.515 11.975 184 H GLN 23 H GLN 23 9.520 -11.710 13.499 185 HA GLN 23 HA GLN 23 8.864 -9.101 12.616 186 HB2 GLN 23 2HB GLN 23 10.834 -11.066 11.422 187 HB3 GLN 23 1HB GLN 23 10.778 -9.342 11.090 188 HG2 GLN 23 2HG GLN 23 11.284 -8.909 13.472 189 HG3 GLN 23 1HG GLN 23 11.442 -10.647 13.720 190 HE21 GLN 23 1HE2 GLN 23 13.434 -8.569 14.080 191 HE22 GLN 23 2HE2 GLN 23 14.750 -8.976 13.034 192 H LYS 24 H LYS 24 7.919 -8.421 10.731 193 HA LYS 24 HA LYS 24 6.108 -10.241 9.518 194 HB2 LYS 24 2HB LYS 24 6.835 -7.422 8.684 195 HB3 LYS 24 1HB LYS 24 5.449 -8.336 8.106 196 HG2 LYS 24 2HG LYS 24 4.537 -6.947 9.727 197 HG3 LYS 24 1HG LYS 24 4.767 -8.468 10.591 198 HD2 LYS 24 2HD LYS 24 6.983 -7.532 11.379 199 HD3 LYS 24 1HD LYS 24 6.461 -5.979 10.726 200 HE2 LYS 24 2HE LYS 24 5.963 -5.994 13.059 201 HE3 LYS 24 1HE LYS 24 4.439 -6.134 12.184 202 HZ1 LYS 24 3HZ LYS 24 5.897 -8.476 13.288 203 HZ2 LYS 24 1HZ LYS 24 4.315 -8.436 12.683 204 HZ3 LYS 24 2HZ LYS 24 4.686 -7.652 14.132 205 H THR 25 H THR 25 7.049 -11.852 8.419 206 HA THR 25 HA THR 25 9.509 -11.350 6.980 207 HB THR 25 HB THR 25 8.102 -13.992 7.334 208 HG1 THR 25 1HG THR 25 8.864 -12.510 9.292 209 HG21 THR 25 3HG2 THR 25 10.355 -14.916 7.099 210 HG22 THR 25 1HG2 THR 25 11.012 -13.289 6.911 211 HG23 THR 25 2HG2 THR 25 9.927 -13.949 5.688 212 H ARG 26 H ARG 26 8.587 -10.129 5.259 213 HA ARG 26 HA ARG 26 8.404 -11.706 2.931 214 HB2 ARG 26 2HB ARG 26 6.206 -11.119 2.112 215 HB3 ARG 26 1HB ARG 26 6.023 -11.920 3.662 216 HG2 ARG 26 2HG ARG 26 5.588 -9.838 4.758 217 HG3 ARG 26 1HG ARG 26 5.967 -8.938 3.288 218 HD2 ARG 26 2HD ARG 26 4.077 -10.036 2.154 219 HD3 ARG 26 1HD ARG 26 3.685 -10.877 3.652 220 HE ARG 26 HE ARG 26 3.637 -8.291 4.405 221 HH11 ARG 26 1HH1 ARG 26 2.118 -10.032 1.767 222 HH12 ARG 26 2HH1 ARG 26 0.733 -8.981 1.706 223 HH21 ARG 26 1HH2 ARG 26 1.836 -6.871 4.295 224 HH22 ARG 26 2HH2 ARG 26 0.598 -7.168 3.111 225 H THR 27 H THR 27 7.764 -10.029 1.012 226 HA THR 27 HA THR 27 9.545 -7.821 1.392 227 HB THR 27 HB THR 27 8.651 -7.165 -0.921 228 HG1 THR 27 1HG THR 27 7.561 -8.802 -2.016 229 HG21 THR 27 3HG2 THR 27 10.072 -9.803 -0.535 230 HG22 THR 27 1HG2 THR 27 10.829 -8.209 -0.566 231 HG23 THR 27 2HG2 THR 27 10.062 -8.850 -2.019 232 H VAL 28 H VAL 28 9.083 -5.750 1.697 233 HA VAL 28 HA VAL 28 6.385 -4.731 1.748 234 HB VAL 28 HB VAL 28 6.570 -3.995 4.161 235 HG11 VAL 28 1HG1 VAL 28 5.051 -5.786 3.541 236 HG12 VAL 28 2HG1 VAL 28 5.777 -6.111 5.115 237 HG13 VAL 28 3HG1 VAL 28 6.354 -6.962 3.684 238 HG21 VAL 28 3HG2 VAL 28 8.699 -6.127 4.277 239 HG22 VAL 28 1HG2 VAL 28 8.032 -5.250 5.654 240 HG23 VAL 28 2HG2 VAL 28 8.970 -4.391 4.430 241 H PHE 29 H PHE 29 6.480 -2.447 2.799 242 HA PHE 29 HA PHE 29 8.943 -1.116 1.958 243 HB2 PHE 29 2HB PHE 29 6.228 0.090 2.529 244 HB3 PHE 29 1HB PHE 29 7.615 0.907 1.834 245 HD1 PHE 29 2HD PHE 29 8.571 -0.476 -0.332 246 HD2 PHE 29 1HD PHE 29 4.562 -0.384 1.080 247 HE1 PHE 29 2HE PHE 29 7.773 -1.090 -2.580 248 HE2 PHE 29 1HE PHE 29 3.750 -1.004 -1.164 249 HZ PHE 29 HZ PHE 29 5.358 -1.357 -2.997 250 H SER 30 H SER 30 9.244 0.993 3.378 251 HA SER 30 HA SER 30 9.802 0.187 6.019 252 HB2 SER 30 2HB SER 30 9.489 3.021 4.990 253 HB3 SER 30 1HB SER 30 10.397 2.507 6.412 254 HG SER 30 HG SER 30 11.484 2.878 4.200 255 H SER 31 H SER 31 8.807 0.954 7.997 256 HA SER 31 HA SER 31 6.086 0.541 8.169 257 HB2 SER 31 2HB SER 31 7.698 2.262 10.062 258 HB3 SER 31 1HB SER 31 6.248 1.325 10.436 259 HG SER 31 HG SER 31 7.381 -0.519 10.324 260 H THR 32 H THR 32 7.831 3.544 7.693 261 HA THR 32 HA THR 32 5.743 5.370 8.030 262 HB THR 32 HB THR 32 7.771 5.897 5.924 263 HG1 THR 32 1HG THR 32 9.071 6.270 8.170 264 HG21 THR 32 3HG2 THR 32 6.311 7.679 6.754 265 HG22 THR 32 1HG2 THR 32 7.995 8.006 7.165 266 HG23 THR 32 2HG2 THR 32 6.887 7.398 8.398 267 H GLN 33 H GLN 33 6.817 3.555 5.160 268 HA GLN 33 HA GLN 33 5.011 4.911 3.389 269 HB2 GLN 33 2HB GLN 33 6.514 2.332 2.938 270 HB3 GLN 33 1HB GLN 33 5.790 3.353 1.705 271 HG2 GLN 33 2HG GLN 33 7.359 5.158 2.328 272 HG3 GLN 33 1HG GLN 33 8.121 4.054 3.473 273 HE21 GLN 33 1HE2 GLN 33 6.885 3.100 0.346 274 HE22 GLN 33 2HE2 GLN 33 8.421 2.747 -0.362 275 H LEU 34 H LEU 34 5.155 1.765 4.995 276 HA LEU 34 HA LEU 34 2.783 0.661 4.001 277 HB2 LEU 34 2HB LEU 34 4.022 0.352 6.740 278 HB3 LEU 34 1HB LEU 34 2.752 -0.670 6.098 279 HG LEU 34 HG LEU 34 5.525 -0.420 4.931 280 HD11 LEU 34 1HD1 LEU 34 4.262 -2.625 6.554 281 HD12 LEU 34 2HD1 LEU 34 5.540 -1.536 7.097 282 HD13 LEU 34 3HD1 LEU 34 5.853 -2.684 5.795 283 HD21 LEU 34 3HD2 LEU 34 3.267 -2.302 4.253 284 HD22 LEU 34 1HD2 LEU 34 4.876 -2.295 3.526 285 HD23 LEU 34 2HD2 LEU 34 3.784 -0.932 3.271 286 H CYS 35 H CYS 35 3.316 2.930 6.652 287 HA CYS 35 HA CYS 35 0.679 2.969 7.632 288 HB2 CYS 35 2HB CYS 35 2.608 3.890 8.866 289 HB3 CYS 35 1HB CYS 35 2.743 5.182 7.678 290 HG CYS 35 HG CYS 35 -0.204 5.649 8.446 291 H VAL 36 H VAL 36 2.292 4.856 5.103 292 HA VAL 36 HA VAL 36 0.133 6.587 4.543 293 HB VAL 36 HB VAL 36 2.284 5.630 2.639 294 HG11 VAL 36 1HG1 VAL 36 0.468 8.038 2.519 295 HG12 VAL 36 2HG1 VAL 36 0.433 6.638 1.444 296 HG13 VAL 36 3HG1 VAL 36 1.818 7.729 1.430 297 HG21 VAL 36 3HG2 VAL 36 3.465 7.681 3.242 298 HG22 VAL 36 1HG2 VAL 36 3.228 6.643 4.646 299 HG23 VAL 36 2HG2 VAL 36 2.209 8.064 4.420 300 H LEU 37 H LEU 37 1.044 3.429 3.238 301 HA LEU 37 HA LEU 37 -0.978 3.193 1.303 302 HB2 LEU 37 2HB LEU 37 0.296 1.025 2.978 303 HB3 LEU 37 1HB LEU 37 -0.642 0.757 1.524 304 HG LEU 37 HG LEU 37 1.997 2.216 1.655 305 HD11 LEU 37 1HD1 LEU 37 2.877 0.262 0.485 306 HD12 LEU 37 2HD1 LEU 37 1.304 -0.523 0.607 307 HD13 LEU 37 3HD1 LEU 37 2.230 -0.173 2.067 308 HD21 LEU 37 3HD2 LEU 37 1.904 2.134 -0.788 309 HD22 LEU 37 1HD2 LEU 37 0.564 3.065 -0.121 310 HD23 LEU 37 2HD2 LEU 37 0.292 1.422 -0.702 311 H ASN 38 H ASN 38 -0.877 2.327 4.718 312 HA ASN 38 HA ASN 38 -3.424 1.131 4.856 313 HB2 ASN 38 2HB ASN 38 -1.618 0.841 6.550 314 HB3 ASN 38 1HB ASN 38 -1.888 2.500 7.072 315 HD21 ASN 38 1HD2 ASN 38 -3.193 -0.727 6.982 316 HD22 ASN 38 2HD2 ASN 38 -4.412 -0.482 8.189 317 H ASP 39 H ASP 39 -2.324 4.459 5.275 318 HA ASP 39 HA ASP 39 -4.661 5.613 6.226 319 HB2 ASP 39 2HB ASP 39 -2.709 6.985 6.076 320 HB3 ASP 39 1HB ASP 39 -2.583 6.723 4.336 321 H ARG 40 H ARG 40 -3.683 5.086 2.860 322 HA ARG 40 HA ARG 40 -5.958 6.190 1.652 323 HB2 ARG 40 2HB ARG 40 -3.843 4.273 0.798 324 HB3 ARG 40 1HB ARG 40 -5.299 4.368 -0.180 325 HG2 ARG 40 2HG ARG 40 -3.625 5.812 -1.108 326 HG3 ARG 40 1HG ARG 40 -4.933 6.789 -0.451 327 HD2 ARG 40 2HD ARG 40 -2.834 6.314 1.499 328 HD3 ARG 40 1HD ARG 40 -2.223 7.088 0.038 329 HE ARG 40 HE ARG 40 -3.898 8.260 2.056 330 HH11 ARG 40 1HH1 ARG 40 -3.062 8.390 -1.362 331 HH12 ARG 40 2HH1 ARG 40 -3.500 10.063 -1.550 332 HH21 ARG 40 1HH2 ARG 40 -4.463 10.455 1.814 333 HH22 ARG 40 2HH2 ARG 40 -4.293 11.237 0.270 334 H PHE 41 H PHE 41 -5.310 2.951 2.860 335 HA PHE 41 HA PHE 41 -7.762 1.837 1.903 336 HB2 PHE 41 2HB PHE 41 -5.673 0.867 3.842 337 HB3 PHE 41 1HB PHE 41 -7.139 -0.051 3.491 338 HD1 PHE 41 1HD PHE 41 -7.533 0.423 0.684 339 HD2 PHE 41 2HD PHE 41 -3.928 -0.319 2.817 340 HE1 PHE 41 1HE PHE 41 -6.532 -0.478 -1.348 341 HE2 PHE 41 2HE PHE 41 -2.908 -1.241 0.771 342 HZ PHE 41 HZ PHE 41 -4.216 -1.318 -1.322 343 H GLN 42 H GLN 42 -6.845 3.637 4.722 344 HA GLN 42 HA GLN 42 -9.205 2.889 6.215 345 HB2 GLN 42 2HB GLN 42 -7.267 5.166 6.655 346 HB3 GLN 42 1HB GLN 42 -8.579 4.737 7.742 347 HG2 GLN 42 2HG GLN 42 -6.121 3.131 7.100 348 HG3 GLN 42 1HG GLN 42 -6.574 3.849 8.644 349 HE21 GLN 42 1HE2 GLN 42 -7.053 1.233 6.451 350 HE22 GLN 42 2HE2 GLN 42 -7.999 0.240 7.504 351 H ARG 43 H ARG 43 -8.294 5.402 3.960 352 HA ARG 43 HA ARG 43 -10.510 7.125 4.525 353 HB2 ARG 43 2HB ARG 43 -8.833 7.008 2.012 354 HB3 ARG 43 1HB ARG 43 -9.838 8.350 2.542 355 HG2 ARG 43 2HG ARG 43 -7.355 7.327 3.901 356 HG3 ARG 43 1HG ARG 43 -7.515 8.821 2.981 357 HD2 ARG 43 2HD ARG 43 -8.949 9.775 4.607 358 HD3 ARG 43 1HD ARG 43 -9.157 8.228 5.428 359 HE ARG 43 HE ARG 43 -6.431 8.879 5.444 360 HH11 ARG 43 1HH1 ARG 43 -9.439 10.045 6.836 361 HH12 ARG 43 2HH1 ARG 43 -8.670 10.649 8.280 362 HH21 ARG 43 1HH2 ARG 43 -5.439 9.633 7.303 363 HH22 ARG 43 2HH2 ARG 43 -6.385 10.413 8.543 364 H GLN 44 H GLN 44 -9.867 4.569 2.222 365 HA GLN 44 HA GLN 44 -12.709 4.260 1.717 366 HB2 GLN 44 2HB GLN 44 -10.926 5.503 -0.176 367 HB3 GLN 44 1HB GLN 44 -11.478 3.963 -0.817 368 HG2 GLN 44 2HG GLN 44 -13.334 6.074 0.236 369 HG3 GLN 44 1HG GLN 44 -12.836 5.978 -1.449 370 HE21 GLN 44 1HE2 GLN 44 -14.882 5.596 -2.223 371 HE22 GLN 44 2HE2 GLN 44 -15.735 4.117 -1.946 372 H LYS 45 H LYS 45 -13.117 2.170 0.591 373 HA LYS 45 HA LYS 45 -11.616 0.062 1.709 374 HB2 LYS 45 2HB LYS 45 -13.522 0.051 -0.641 375 HB3 LYS 45 1HB LYS 45 -12.918 -1.393 0.157 376 HG2 LYS 45 2HG LYS 45 -14.042 -0.784 2.200 377 HG3 LYS 45 1HG LYS 45 -14.559 0.750 1.493 378 HD2 LYS 45 2HD LYS 45 -15.919 -0.402 -0.129 379 HD3 LYS 45 1HD LYS 45 -15.320 -1.969 0.424 380 HE2 LYS 45 2HE LYS 45 -16.885 -0.021 2.116 381 HE3 LYS 45 1HE LYS 45 -17.579 -1.414 1.284 382 HZ1 LYS 45 3HZ LYS 45 -15.996 -2.815 2.584 383 HZ2 LYS 45 1HZ LYS 45 -17.175 -2.035 3.522 384 HZ3 LYS 45 2HZ LYS 45 -15.588 -1.438 3.489 385 H TYR 46 H TYR 46 -11.625 1.573 -1.452 386 HA TYR 46 HA TYR 46 -8.970 0.509 -1.998 387 HB2 TYR 46 2HB TYR 46 -11.284 0.271 -3.946 388 HB3 TYR 46 1HB TYR 46 -9.601 -0.075 -4.325 389 HD1 TYR 46 2HD TYR 46 -8.479 -1.805 -2.587 390 HD2 TYR 46 1HD TYR 46 -12.633 -1.532 -3.474 391 HE1 TYR 46 2HE TYR 46 -8.790 -4.123 -1.823 392 HE2 TYR 46 1HE TYR 46 -12.957 -3.848 -2.713 393 HH TYR 46 HH TYR 46 -10.580 -5.569 -0.982 394 H LEU 47 H LEU 47 -7.758 1.847 -3.398 395 HA LEU 47 HA LEU 47 -8.638 4.582 -3.349 396 HB2 LEU 47 2HB LEU 47 -6.350 4.939 -4.490 397 HB3 LEU 47 1HB LEU 47 -6.406 4.464 -2.810 398 HG LEU 47 HG LEU 47 -6.101 2.053 -3.716 399 HD11 LEU 47 1HD1 LEU 47 -5.093 3.662 -6.049 400 HD12 LEU 47 2HD1 LEU 47 -6.475 2.567 -6.062 401 HD13 LEU 47 3HD1 LEU 47 -4.851 1.929 -5.806 402 HD21 LEU 47 3HD2 LEU 47 -4.445 3.257 -2.394 403 HD22 LEU 47 1HD2 LEU 47 -3.869 4.077 -3.846 404 HD23 LEU 47 2HD2 LEU 47 -3.672 2.333 -3.681 405 H SER 48 H SER 48 -8.933 5.941 -5.059 406 HA SER 48 HA SER 48 -10.084 4.755 -7.392 407 HB2 SER 48 2HB SER 48 -11.098 6.696 -6.259 408 HB3 SER 48 1HB SER 48 -9.665 7.655 -6.626 409 HG SER 48 HG SER 48 -11.536 7.881 -8.084 410 H LEU 49 H LEU 49 -9.586 6.157 -9.473 411 HA LEU 49 HA LEU 49 -7.049 5.278 -10.373 412 HB2 LEU 49 2HB LEU 49 -9.063 5.515 -11.813 413 HB3 LEU 49 1HB LEU 49 -8.965 7.252 -11.646 414 HG LEU 49 HG LEU 49 -8.115 6.208 -13.819 415 HD11 LEU 49 1HD1 LEU 49 -6.288 8.040 -12.274 416 HD12 LEU 49 2HD1 LEU 49 -7.682 8.527 -13.242 417 HD13 LEU 49 3HD1 LEU 49 -6.275 7.803 -14.022 418 HD21 LEU 49 3HD2 LEU 49 -5.813 5.414 -13.803 419 HD22 LEU 49 1HD2 LEU 49 -6.856 4.381 -12.826 420 HD23 LEU 49 2HD2 LEU 49 -5.779 5.537 -12.043 421 H GLN 50 H GLN 50 -8.352 8.367 -9.345 422 HA GLN 50 HA GLN 50 -6.058 9.889 -10.000 423 HB2 GLN 50 2HB GLN 50 -8.351 10.426 -8.112 424 HB3 GLN 50 1HB GLN 50 -7.155 11.607 -8.591 425 HG2 GLN 50 2HG GLN 50 -7.856 11.319 -10.943 426 HG3 GLN 50 1HG GLN 50 -9.128 10.236 -10.385 427 HE21 GLN 50 1HE2 GLN 50 -8.023 13.510 -10.568 428 HE22 GLN 50 2HE2 GLN 50 -9.510 14.251 -10.081 429 H GLN 51 H GLN 51 -7.022 7.990 -7.234 430 HA GLN 51 HA GLN 51 -5.109 9.124 -5.443 431 HB2 GLN 51 2HB GLN 51 -6.769 6.615 -5.305 432 HB3 GLN 51 1HB GLN 51 -5.692 7.137 -4.025 433 HG2 GLN 51 2HG GLN 51 -6.970 9.220 -3.810 434 HG3 GLN 51 1HG GLN 51 -8.072 8.647 -5.063 435 HE21 GLN 51 1HE2 GLN 51 -7.046 8.296 -1.768 436 HE22 GLN 51 2HE2 GLN 51 -8.358 7.291 -1.260 437 H MET 52 H MET 52 -5.271 6.092 -7.320 438 HA MET 52 HA MET 52 -2.861 5.010 -6.426 439 HB2 MET 52 2HB MET 52 -2.845 3.666 -8.495 440 HB3 MET 52 1HB MET 52 -4.401 3.659 -7.691 441 HG2 MET 52 2HG MET 52 -5.176 5.373 -9.309 442 HG3 MET 52 1HG MET 52 -3.644 5.190 -10.161 443 HE1 MET 52 3HE MET 52 -6.796 1.837 -9.735 444 HE2 MET 52 1HE MET 52 -7.014 3.471 -9.111 445 HE3 MET 52 2HE MET 52 -5.817 2.402 -8.381 446 H GLN 53 H GLN 53 -3.388 7.203 -9.205 447 HA GLN 53 HA GLN 53 -0.633 7.242 -9.919 448 HB2 GLN 53 2HB GLN 53 -1.252 9.264 -11.264 449 HB3 GLN 53 1HB GLN 53 -2.219 7.838 -11.605 450 HG2 GLN 53 2HG GLN 53 -4.030 8.724 -10.248 451 HG3 GLN 53 1HG GLN 53 -3.054 10.140 -9.863 452 HE21 GLN 53 1HE2 GLN 53 -2.991 8.685 -13.035 453 HE22 GLN 53 2HE2 GLN 53 -3.840 9.953 -13.845 454 H GLU 54 H GLU 54 -2.647 9.208 -7.799 455 HA GLU 54 HA GLU 54 -0.823 11.246 -7.198 456 HB2 GLU 54 2HB GLU 54 -3.141 11.385 -6.501 457 HB3 GLU 54 1HB GLU 54 -2.972 9.956 -5.499 458 HG2 GLU 54 2HG GLU 54 -1.298 11.243 -4.137 459 HG3 GLU 54 1HG GLU 54 -1.776 12.672 -5.049 460 H LEU 55 H LEU 55 -1.457 8.186 -5.533 461 HA LEU 55 HA LEU 55 0.447 8.486 -3.519 462 HB2 LEU 55 2HB LEU 55 -1.417 6.873 -3.478 463 HB3 LEU 55 1HB LEU 55 -0.614 5.934 -4.722 464 HG LEU 55 HG LEU 55 1.249 5.482 -3.176 465 HD11 LEU 55 1HD1 LEU 55 1.055 7.523 -1.817 466 HD12 LEU 55 2HD1 LEU 55 1.081 6.060 -0.832 467 HD13 LEU 55 3HD1 LEU 55 -0.443 6.900 -1.120 468 HD21 LEU 55 3HD2 LEU 55 -0.600 3.908 -3.329 469 HD22 LEU 55 1HD2 LEU 55 -1.478 4.797 -2.085 470 HD23 LEU 55 2HD2 LEU 55 0.029 3.973 -1.682 471 H SER 56 H SER 56 0.687 6.988 -6.690 472 HA SER 56 HA SER 56 3.185 5.811 -6.452 473 HB2 SER 56 2HB SER 56 2.022 7.125 -8.921 474 HB3 SER 56 1HB SER 56 3.313 5.927 -8.899 475 HG SER 56 HG SER 56 0.607 5.560 -8.119 476 H ASN 57 H ASN 57 2.434 9.075 -7.657 477 HA ASN 57 HA ASN 57 5.104 9.812 -8.172 478 HB2 ASN 57 2HB ASN 57 3.264 11.038 -9.170 479 HB3 ASN 57 1HB ASN 57 2.682 11.529 -7.584 480 HD21 ASN 57 1HD2 ASN 57 5.163 11.970 -9.989 481 HD22 ASN 57 2HD2 ASN 57 5.768 13.467 -9.372 482 H ILE 58 H ILE 58 3.151 9.980 -5.273 483 HA ILE 58 HA ILE 58 4.991 11.719 -3.901 484 HB ILE 58 HB ILE 58 2.693 10.153 -2.735 485 HG12 ILE 58 2HG1 ILE 58 2.773 12.885 -4.021 486 HG13 ILE 58 1HG1 ILE 58 1.917 11.474 -4.614 487 HG21 ILE 58 1HG2 ILE 58 4.199 11.031 -1.052 488 HG22 ILE 58 2HG2 ILE 58 2.698 11.957 -1.046 489 HG23 ILE 58 3HG2 ILE 58 4.145 12.629 -1.797 490 HD11 ILE 58 3HD1 ILE 58 0.372 13.000 -3.601 491 HD12 ILE 58 1HD1 ILE 58 1.303 13.004 -2.104 492 HD13 ILE 58 2HD1 ILE 58 0.482 11.534 -2.626 493 H LEU 59 H LEU 59 4.201 8.253 -3.817 494 HA LEU 59 HA LEU 59 6.010 7.833 -1.583 495 HB2 LEU 59 2HB LEU 59 3.773 6.635 -1.983 496 HB3 LEU 59 1HB LEU 59 4.630 5.692 -3.188 497 HG LEU 59 HG LEU 59 6.154 4.847 -1.462 498 HD11 LEU 59 1HD1 LEU 59 4.442 6.435 0.449 499 HD12 LEU 59 2HD1 LEU 59 6.112 6.798 0.017 500 HD13 LEU 59 3HD1 LEU 59 5.733 5.316 0.894 501 HD21 LEU 59 3HD2 LEU 59 3.244 4.549 -0.721 502 HD22 LEU 59 1HD2 LEU 59 4.549 3.452 -0.268 503 HD23 LEU 59 2HD2 LEU 59 4.089 3.625 -1.962 504 H ASN 60 H ASN 60 6.515 8.392 -4.698 505 HA ASN 60 HA ASN 60 8.261 8.144 -6.119 506 HB2 ASN 60 2HB ASN 60 9.548 8.598 -3.986 507 HB3 ASN 60 1HB ASN 60 9.754 6.857 -3.824 508 HD21 ASN 60 1HD2 ASN 60 12.002 7.061 -3.964 509 HD22 ASN 60 2HD2 ASN 60 12.788 7.389 -5.476 510 H LEU 61 H LEU 61 6.258 6.118 -5.926 511 HA LEU 61 HA LEU 61 7.791 3.763 -6.819 512 HB2 LEU 61 2HB LEU 61 4.981 3.919 -5.719 513 HB3 LEU 61 1HB LEU 61 5.714 2.469 -6.376 514 HG LEU 61 HG LEU 61 6.580 3.945 -3.889 515 HD11 LEU 61 1HD1 LEU 61 4.536 2.627 -3.641 516 HD12 LEU 61 2HD1 LEU 61 5.880 1.921 -2.743 517 HD13 LEU 61 3HD1 LEU 61 5.375 1.211 -4.277 518 HD21 LEU 61 3HD2 LEU 61 8.526 3.064 -5.034 519 HD22 LEU 61 1HD2 LEU 61 7.743 1.493 -5.203 520 HD23 LEU 61 2HD2 LEU 61 8.180 2.092 -3.601 521 H SER 62 H SER 62 6.742 2.537 -8.568 522 HA SER 62 HA SER 62 5.925 4.340 -10.653 523 HB2 SER 62 2HB SER 62 7.457 2.551 -11.216 524 HB3 SER 62 1HB SER 62 6.335 1.339 -10.601 525 HG SER 62 HG SER 62 6.156 2.922 -12.935 526 H TYR 63 H TYR 63 3.958 4.357 -11.698 527 HA TYR 63 HA TYR 63 1.621 3.982 -10.289 528 HB2 TYR 63 2HB TYR 63 1.527 5.394 -12.180 529 HB3 TYR 63 1HB TYR 63 2.164 4.153 -13.247 530 HD1 TYR 63 2HD TYR 63 -0.834 5.298 -11.426 531 HD2 TYR 63 1HD TYR 63 0.721 2.527 -14.259 532 HE1 TYR 63 2HE TYR 63 -3.126 4.678 -12.069 533 HE2 TYR 63 1HE TYR 63 -1.567 1.906 -14.912 534 HH TYR 63 HH TYR 63 -4.238 3.679 -14.227 535 H LYS 64 H LYS 64 3.335 1.728 -12.389 536 HA LYS 64 HA LYS 64 1.297 -0.226 -12.498 537 HB2 LYS 64 2HB LYS 64 4.279 -0.381 -12.902 538 HB3 LYS 64 1HB LYS 64 3.224 -1.768 -13.082 539 HG2 LYS 64 2HG LYS 64 1.953 -0.439 -14.800 540 HG3 LYS 64 1HG LYS 64 3.267 0.742 -14.721 541 HD2 LYS 64 2HD LYS 64 4.866 -0.995 -15.344 542 HD3 LYS 64 1HD LYS 64 3.565 -2.184 -15.402 543 HE2 LYS 64 2HE LYS 64 4.032 -1.489 -17.636 544 HE3 LYS 64 1HE LYS 64 2.477 -0.807 -17.164 545 HZ1 LYS 64 3HZ LYS 64 3.606 1.302 -16.705 546 HZ2 LYS 64 1HZ LYS 64 3.801 0.821 -18.318 547 HZ3 LYS 64 2HZ LYS 64 5.074 0.630 -17.222 548 H GLN 65 H GLN 65 4.012 0.359 -10.339 549 HA GLN 65 HA GLN 65 3.770 -2.017 -8.830 550 HB2 GLN 65 2HB GLN 65 4.915 0.676 -8.066 551 HB3 GLN 65 1HB GLN 65 5.080 -0.785 -7.101 552 HG2 GLN 65 2HG GLN 65 6.278 -1.858 -8.948 553 HG3 GLN 65 1HG GLN 65 6.135 -0.370 -9.885 554 HE21 GLN 65 1HE2 GLN 65 8.339 -0.102 -10.041 555 HE22 GLN 65 2HE2 GLN 65 9.311 0.391 -8.687 556 H VAL 66 H VAL 66 2.427 1.248 -8.437 557 HA VAL 66 HA VAL 66 1.179 0.599 -5.926 558 HB VAL 66 HB VAL 66 0.733 2.953 -7.777 559 HG11 VAL 66 1HG1 VAL 66 -0.411 4.017 -5.917 560 HG12 VAL 66 2HG1 VAL 66 -0.185 2.577 -4.925 561 HG13 VAL 66 3HG1 VAL 66 -1.232 2.513 -6.343 562 HG21 VAL 66 3HG2 VAL 66 2.098 4.166 -6.172 563 HG22 VAL 66 1HG2 VAL 66 2.988 2.787 -6.816 564 HG23 VAL 66 2HG2 VAL 66 2.284 2.705 -5.201 565 H LYS 67 H LYS 67 0.086 0.825 -9.268 566 HA LYS 67 HA LYS 67 -2.663 0.447 -8.765 567 HB2 LYS 67 2HB LYS 67 -1.302 1.224 -10.901 568 HB3 LYS 67 1HB LYS 67 -1.415 -0.478 -11.313 569 HG2 LYS 67 2HG LYS 67 -3.842 1.126 -10.610 570 HG3 LYS 67 1HG LYS 67 -3.172 1.121 -12.241 571 HD2 LYS 67 2HD LYS 67 -3.362 -1.366 -12.227 572 HD3 LYS 67 1HD LYS 67 -4.216 -1.236 -10.686 573 HE2 LYS 67 2HE LYS 67 -5.739 -1.407 -12.633 574 HE3 LYS 67 1HE LYS 67 -5.960 0.075 -11.703 575 HZ1 LYS 67 3HZ LYS 67 -4.801 1.320 -13.343 576 HZ2 LYS 67 1HZ LYS 67 -5.932 0.364 -14.171 577 HZ3 LYS 67 2HZ LYS 67 -4.292 -0.073 -14.159 578 H THR 68 H THR 68 -0.038 -1.787 -9.494 579 HA THR 68 HA THR 68 -1.675 -4.104 -9.645 580 HB THR 68 HB THR 68 1.292 -3.869 -9.105 581 HG1 THR 68 1HG THR 68 1.038 -3.171 -11.134 582 HG21 THR 68 3HG2 THR 68 1.408 -6.217 -9.824 583 HG22 THR 68 1HG2 THR 68 -0.353 -6.265 -9.939 584 HG23 THR 68 2HG2 THR 68 0.423 -6.038 -8.371 585 H TRP 69 H TRP 69 0.157 -2.557 -7.032 586 HA TRP 69 HA TRP 69 -0.222 -4.504 -5.055 587 HB2 TRP 69 2HB TRP 69 0.766 -1.840 -5.190 588 HB3 TRP 69 1HB TRP 69 -0.426 -1.890 -3.895 589 HD1 TRP 69 HD TRP 69 2.948 -3.418 -4.907 590 HE1 TRP 69 1HE TRP 69 4.081 -4.376 -2.802 591 HE3 TRP 69 3HE TRP 69 -0.884 -2.797 -1.579 592 HZ2 TRP 69 2HZ TRP 69 3.427 -4.813 -0.087 593 HZ3 TRP 69 3HZ TRP 69 -0.551 -3.514 0.749 594 HH2 TRP 69 HH TRP 69 1.561 -4.501 1.480 595 H PHE 70 H PHE 70 -2.166 -1.688 -5.942 596 HA PHE 70 HA PHE 70 -4.298 -2.030 -4.177 597 HB2 PHE 70 2HB PHE 70 -4.392 0.005 -5.223 598 HB3 PHE 70 1HB PHE 70 -3.845 -0.638 -6.762 599 HD1 PHE 70 1HD PHE 70 -6.811 -0.560 -4.518 600 HD2 PHE 70 2HD PHE 70 -5.336 -0.941 -8.488 601 HE1 PHE 70 1HE PHE 70 -9.114 -0.473 -5.385 602 HE2 PHE 70 2HE PHE 70 -7.629 -0.854 -9.358 603 HZ PHE 70 HZ PHE 70 -9.526 -0.619 -7.806 604 H GLN 71 H GLN 71 -3.934 -3.218 -7.523 605 HA GLN 71 HA GLN 71 -6.481 -4.428 -7.647 606 HB2 GLN 71 2HB GLN 71 -4.874 -3.785 -9.560 607 HB3 GLN 71 1HB GLN 71 -4.109 -5.339 -9.256 608 HG2 GLN 71 2HG GLN 71 -5.643 -5.622 -11.041 609 HG3 GLN 71 1HG GLN 71 -6.328 -6.417 -9.622 610 HE21 GLN 71 1HE2 GLN 71 -6.573 -3.740 -11.802 611 HE22 GLN 71 2HE2 GLN 71 -8.153 -3.227 -11.337 612 H ASN 72 H ASN 72 -3.364 -5.557 -6.582 613 HA ASN 72 HA ASN 72 -3.988 -8.325 -6.542 614 HB2 ASN 72 2HB ASN 72 -1.670 -7.390 -6.657 615 HB3 ASN 72 1HB ASN 72 -1.844 -6.865 -4.984 616 HD21 ASN 72 1HD2 ASN 72 -1.574 -9.600 -7.121 617 HD22 ASN 72 2HD2 ASN 72 -1.135 -10.751 -5.902 618 H GLN 73 H GLN 73 -3.684 -5.879 -3.956 619 HA GLN 73 HA GLN 73 -4.652 -7.508 -1.879 620 HB2 GLN 73 2HB GLN 73 -4.535 -4.532 -2.282 621 HB3 GLN 73 1HB GLN 73 -5.298 -5.215 -0.852 622 HG2 GLN 73 2HG GLN 73 -2.466 -5.776 -1.702 623 HG3 GLN 73 1HG GLN 73 -2.928 -4.552 -0.522 624 HE21 GLN 73 1HE2 GLN 73 -5.066 -6.198 0.588 625 HE22 GLN 73 2HE2 GLN 73 -4.290 -7.413 1.540 626 H ARG 74 H ARG 74 -6.274 -5.574 -4.294 627 HA ARG 74 HA ARG 74 -8.893 -5.729 -3.268 628 HB2 ARG 74 2HB ARG 74 -8.235 -4.182 -5.061 629 HB3 ARG 74 1HB ARG 74 -7.958 -5.541 -6.142 630 HG2 ARG 74 2HG ARG 74 -10.351 -6.108 -5.991 631 HG3 ARG 74 1HG ARG 74 -10.600 -4.687 -4.972 632 HD2 ARG 74 2HD ARG 74 -9.765 -3.260 -6.787 633 HD3 ARG 74 1HD ARG 74 -9.557 -4.686 -7.801 634 HE ARG 74 HE ARG 74 -12.235 -4.191 -6.759 635 HH11 ARG 74 1HH1 ARG 74 -9.997 -4.043 -9.460 636 HH12 ARG 74 2HH1 ARG 74 -11.246 -3.734 -10.636 637 HH21 ARG 74 1HH2 ARG 74 -13.866 -3.778 -8.318 638 HH22 ARG 74 2HH2 ARG 74 -13.424 -3.601 -9.991 639 H MET 75 H MET 75 -7.113 -7.804 -5.551 640 HA MET 75 HA MET 75 -9.367 -9.578 -5.821 641 HB2 MET 75 2HB MET 75 -7.995 -10.898 -7.283 642 HB3 MET 75 1HB MET 75 -7.769 -9.202 -7.675 643 HG2 MET 75 2HG MET 75 -5.647 -9.180 -6.537 644 HG3 MET 75 1HG MET 75 -5.882 -10.845 -6.006 645 HE1 MET 75 3HE MET 75 -6.841 -9.345 -9.519 646 HE2 MET 75 1HE MET 75 -5.370 -9.647 -10.442 647 HE3 MET 75 2HE MET 75 -5.355 -8.483 -9.118 648 H LYS 76 H LYS 76 -7.101 -9.230 -3.394 649 HA LYS 76 HA LYS 76 -6.550 -11.952 -2.776 650 HB2 LYS 76 2HB LYS 76 -6.436 -9.417 -1.159 651 HB3 LYS 76 1HB LYS 76 -6.067 -10.980 -0.450 652 HG2 LYS 76 2HG LYS 76 -4.636 -9.852 -2.842 653 HG3 LYS 76 1HG LYS 76 -4.094 -9.637 -1.178 654 HD2 LYS 76 2HD LYS 76 -4.051 -12.136 -0.967 655 HD3 LYS 76 1HD LYS 76 -4.366 -12.225 -2.702 656 HE2 LYS 76 2HE LYS 76 -2.324 -11.002 -3.166 657 HE3 LYS 76 1HE LYS 76 -2.025 -10.800 -1.443 658 HZ1 LYS 76 3HZ LYS 76 -0.683 -12.574 -2.331 659 HZ2 LYS 76 1HZ LYS 76 -2.055 -13.375 -2.922 660 HZ3 LYS 76 2HZ LYS 76 -1.821 -13.216 -1.248 661 H SER 77 H SER 77 -8.800 -9.619 -1.310 662 HA SER 77 HA SER 77 -9.729 -11.435 0.639 663 HB2 SER 77 2HB SER 77 -11.095 -8.916 -0.318 664 HB3 SER 77 1HB SER 77 -11.293 -9.706 1.247 665 HG SER 77 HG SER 77 -8.982 -9.302 1.537 666 H LYS 78 H LYS 78 -10.848 -10.696 -2.587 667 HA LYS 78 HA LYS 78 -13.507 -11.654 -2.158 668 HB2 LYS 78 2HB LYS 78 -12.810 -9.924 -3.866 669 HB3 LYS 78 1HB LYS 78 -12.150 -11.245 -4.821 670 HG2 LYS 78 2HG LYS 78 -14.272 -12.177 -5.196 671 HG3 LYS 78 1HG LYS 78 -15.012 -11.210 -3.921 672 HD2 LYS 78 2HD LYS 78 -14.524 -9.174 -5.261 673 HD3 LYS 78 1HD LYS 78 -13.942 -10.220 -6.558 674 HE2 LYS 78 2HE LYS 78 -16.097 -11.204 -6.837 675 HE3 LYS 78 1HE LYS 78 -16.707 -10.422 -5.381 676 HZ1 LYS 78 3HZ LYS 78 -17.441 -9.323 -7.426 677 HZ2 LYS 78 1HZ LYS 78 -15.826 -8.989 -7.829 678 HZ3 LYS 78 2HZ LYS 78 -16.515 -8.294 -6.447 679 H ARG 79 H ARG 79 -10.564 -13.239 -2.662 680 HA ARG 79 HA ARG 79 -11.598 -15.514 -4.099 681 HB2 ARG 79 2HB ARG 79 -9.034 -15.198 -2.524 682 HB3 ARG 79 1HB ARG 79 -9.415 -16.545 -3.584 683 HG2 ARG 79 2HG ARG 79 -9.486 -15.023 -5.493 684 HG3 ARG 79 1HG ARG 79 -9.102 -13.675 -4.424 685 HD2 ARG 79 2HD ARG 79 -6.985 -14.791 -3.822 686 HD3 ARG 79 1HD ARG 79 -7.360 -16.073 -4.973 687 HE ARG 79 HE ARG 79 -7.316 -13.368 -6.031 688 HH11 ARG 79 1HH1 ARG 79 -5.527 -16.338 -5.511 689 HH12 ARG 79 2HH1 ARG 79 -4.380 -16.010 -6.775 690 HH21 ARG 79 1HH2 ARG 79 -5.802 -12.948 -7.707 691 HH22 ARG 79 2HH2 ARG 79 -4.575 -14.127 -8.067 692 H TRP 80 H TRP 80 -11.755 -14.434 -0.907 693 HA TRP 80 HA TRP 80 -12.006 -17.148 0.182 694 HB2 TRP 80 2HB TRP 80 -10.664 -14.949 1.167 695 HB3 TRP 80 1HB TRP 80 -12.174 -14.914 2.072 696 HD1 TRP 80 HD TRP 80 -12.549 -16.787 3.898 697 HE1 TRP 80 1HE TRP 80 -10.997 -18.562 4.933 698 HE3 TRP 80 3HE TRP 80 -8.693 -16.527 0.556 699 HZ2 TRP 80 2HZ TRP 80 -8.466 -19.701 4.393 700 HZ3 TRP 80 3HZ TRP 80 -6.742 -17.986 0.883 701 HH2 TRP 80 HH TRP 80 -6.629 -19.540 2.761 702 H GLN 81 H GLN 81 -13.904 -17.880 1.023 703 HA GLN 81 HA GLN 81 -16.140 -18.049 1.417 704 HB2 GLN 81 2HB GLN 81 -15.848 -15.091 1.988 705 HB3 GLN 81 1HB GLN 81 -17.294 -16.028 2.340 706 HG2 GLN 81 2HG GLN 81 -16.042 -17.414 3.890 707 HG3 GLN 81 1HG GLN 81 -14.565 -16.528 3.510 708 HE21 GLN 81 1HE2 GLN 81 -14.294 -15.878 5.654 709 HE22 GLN 81 2HE2 GLN 81 -15.286 -14.661 6.376 710 H LYS 82 H LYS 82 -15.242 -17.684 -1.213 711 HA LYS 82 HA LYS 82 -16.527 -15.725 -2.718 712 HB2 LYS 82 2HB LYS 82 -14.691 -17.011 -3.612 713 HB3 LYS 82 1HB LYS 82 -15.618 -18.500 -3.489 714 HG2 LYS 82 2HG LYS 82 -17.221 -17.565 -5.142 715 HG3 LYS 82 1HG LYS 82 -16.136 -16.186 -5.339 716 HD2 LYS 82 2HD LYS 82 -14.361 -17.654 -6.092 717 HD3 LYS 82 1HD LYS 82 -15.378 -19.067 -5.804 718 HE2 LYS 82 2HE LYS 82 -16.977 -18.207 -7.482 719 HE3 LYS 82 1HE LYS 82 -15.874 -16.868 -7.808 720 HZ1 LYS 82 3HZ LYS 82 -15.598 -18.641 -9.419 721 HZ2 LYS 82 1HZ LYS 82 -15.264 -19.751 -8.183 722 HZ3 LYS 82 2HZ LYS 82 -14.194 -18.468 -8.485 723 H ASN 83 H ASN 83 -18.563 -15.399 -3.205 724 HA ASN 83 HA ASN 83 -20.456 -17.650 -3.157 725 HB2 ASN 83 2HB ASN 83 -21.064 -15.772 -1.689 726 HB3 ASN 83 1HB ASN 83 -20.960 -14.663 -3.051 727 HD21 ASN 83 1HD2 ASN 83 -22.381 -17.902 -3.020 728 HD22 ASN 83 2HD2 ASN 83 -23.994 -17.382 -3.375 729 H ASN 84 H ASN 84 -20.705 -18.504 -5.144 730 HA ASN 84 HA ASN 84 -20.469 -16.698 -7.453 731 HB2 ASN 84 2HB ASN 84 -18.855 -18.630 -7.270 732 HB3 ASN 84 1HB ASN 84 -20.230 -19.713 -7.478 733 HD21 ASN 84 1HD2 ASN 84 -21.218 -19.855 -9.484 734 HD22 ASN 84 2HD2 ASN 84 -20.487 -19.222 -10.921 Start of MODEL 10 1 H1 SER 1 H1 SER 1 -6.822 11.629 -4.328 2 H2 SER 1 H2 SER 1 -7.051 13.255 -3.943 3 H3 SER 1 H3 SER 1 -5.607 12.758 -4.689 4 HA SER 1 HA SER 1 -6.821 12.141 -6.668 5 HB2 SER 1 2HB SER 1 -9.251 13.029 -6.719 6 HB3 SER 1 1HB SER 1 -8.935 11.515 -5.868 7 HG SER 1 HG SER 1 -10.229 13.306 -4.793 8 H LYS 2 H LYS 2 -6.311 14.799 -4.658 9 HA LYS 2 HA LYS 2 -5.642 16.513 -6.814 10 HB2 LYS 2 2HB LYS 2 -8.070 16.860 -6.870 11 HB3 LYS 2 1HB LYS 2 -8.071 17.241 -5.157 12 HG2 LYS 2 2HG LYS 2 -8.243 19.294 -6.306 13 HG3 LYS 2 1HG LYS 2 -6.594 19.204 -5.693 14 HD2 LYS 2 2HD LYS 2 -7.317 18.394 -8.501 15 HD3 LYS 2 1HD LYS 2 -6.907 20.055 -8.072 16 HE2 LYS 2 2HE LYS 2 -4.741 19.228 -7.182 17 HE3 LYS 2 1HE LYS 2 -5.157 17.618 -7.767 18 HZ1 LYS 2 3HZ LYS 2 -4.820 20.053 -9.437 19 HZ2 LYS 2 1HZ LYS 2 -5.264 18.521 -10.021 20 HZ3 LYS 2 2HZ LYS 2 -3.734 18.755 -9.329 21 H GLN 3 H GLN 3 -3.695 16.694 -5.844 22 HA GLN 3 HA GLN 3 -2.080 17.496 -4.491 23 HB2 GLN 3 2HB GLN 3 -4.307 19.079 -3.190 24 HB3 GLN 3 1HB GLN 3 -2.593 19.281 -2.838 25 HG2 GLN 3 2HG GLN 3 -2.298 19.752 -5.315 26 HG3 GLN 3 1HG GLN 3 -4.054 19.879 -5.389 27 HE21 GLN 3 1HE2 GLN 3 -1.118 21.292 -4.225 28 HE22 GLN 3 2HE2 GLN 3 -1.789 22.834 -3.797 29 HA PRO 4 HA PRO 4 -3.247 13.932 -2.021 30 HB2 PRO 4 2HB PRO 4 -0.746 12.895 -1.822 31 HB3 PRO 4 1HB PRO 4 -1.756 12.727 -3.265 32 HG2 PRO 4 2HG PRO 4 0.450 14.681 -2.712 33 HG3 PRO 4 1HG PRO 4 0.138 13.735 -4.181 34 HD2 PRO 4 2HD PRO 4 -0.564 16.321 -3.986 35 HD3 PRO 4 1HD PRO 4 -1.550 15.149 -4.884 36 H THR 5 H THR 5 -0.969 16.395 -1.121 37 HA THR 5 HA THR 5 -0.475 15.293 1.494 38 HB THR 5 HB THR 5 1.218 16.675 0.294 39 HG1 THR 5 1HG THR 5 1.269 16.455 2.589 40 HG21 THR 5 3HG2 THR 5 -0.257 18.352 -0.683 41 HG22 THR 5 1HG2 THR 5 0.994 19.111 0.300 42 HG23 THR 5 2HG2 THR 5 -0.647 18.960 0.927 43 H SER 6 H SER 6 -0.696 17.377 3.222 44 HA SER 6 HA SER 6 -2.128 18.400 4.639 45 HB2 SER 6 2HB SER 6 -4.020 18.643 2.291 46 HB3 SER 6 1HB SER 6 -4.065 19.579 3.784 47 HG SER 6 HG SER 6 -2.518 19.905 1.543 48 H ALA 7 H ALA 7 -2.360 16.560 5.855 49 HA ALA 7 HA ALA 7 -4.745 14.923 5.326 50 HB1 ALA 7 1HB ALA 7 -3.731 13.240 6.773 51 HB2 ALA 7 2HB ALA 7 -2.365 14.312 7.076 52 HB3 ALA 7 3HB ALA 7 -2.644 13.678 5.454 53 H GLU 8 H GLU 8 -5.381 13.913 7.692 54 HA GLU 8 HA GLU 8 -5.554 15.969 9.709 55 HB2 GLU 8 2HB GLU 8 -7.518 15.909 7.749 56 HB3 GLU 8 1HB GLU 8 -8.230 14.973 9.054 57 HG2 GLU 8 2HG GLU 8 -7.054 17.705 9.471 58 HG3 GLU 8 1HG GLU 8 -8.737 17.447 9.020 59 H ASN 9 H ASN 9 -7.180 15.047 11.464 60 HA ASN 9 HA ASN 9 -7.677 13.473 13.003 61 HB2 ASN 9 2HB ASN 9 -8.600 12.138 11.126 62 HB3 ASN 9 1HB ASN 9 -7.015 11.411 10.888 63 HD21 ASN 9 1HD2 ASN 9 -7.669 9.351 11.322 64 HD22 ASN 9 2HD2 ASN 9 -8.151 8.816 12.892 65 H SER 10 H SER 10 -5.702 14.479 13.821 66 HA SER 10 HA SER 10 -3.950 14.261 15.218 67 HB2 SER 10 2HB SER 10 -4.145 11.302 14.642 68 HB3 SER 10 1HB SER 10 -3.216 12.040 15.949 69 HG SER 10 HG SER 10 -5.657 13.016 16.118 70 H VAL 11 H VAL 11 -3.413 11.958 12.575 71 HA VAL 11 HA VAL 11 -1.689 11.645 11.124 72 HB VAL 11 HB VAL 11 -0.624 14.360 11.914 73 HG11 VAL 11 1HG1 VAL 11 0.913 13.013 10.599 74 HG12 VAL 11 2HG1 VAL 11 0.325 14.388 9.663 75 HG13 VAL 11 3HG1 VAL 11 -0.327 12.776 9.368 76 HG21 VAL 11 3HG2 VAL 11 -2.963 14.615 11.295 77 HG22 VAL 11 1HG2 VAL 11 -2.686 13.714 9.806 78 HG23 VAL 11 2HG2 VAL 11 -1.922 15.287 10.039 79 H ALA 12 H ALA 12 0.661 11.218 11.083 80 HA ALA 12 HA ALA 12 2.608 10.455 11.946 81 HB1 ALA 12 1HB ALA 12 2.876 12.634 12.988 82 HB2 ALA 12 2HB ALA 12 3.445 11.367 14.077 83 HB3 ALA 12 3HB ALA 12 1.877 12.127 14.350 84 H LYS 13 H LYS 13 3.246 9.643 14.578 85 HA LYS 13 HA LYS 13 2.969 7.987 16.093 86 HB2 LYS 13 2HB LYS 13 0.051 8.220 15.343 87 HB3 LYS 13 1HB LYS 13 0.657 7.179 16.625 88 HG2 LYS 13 2HG LYS 13 1.556 9.129 17.789 89 HG3 LYS 13 1HG LYS 13 0.950 10.175 16.505 90 HD2 LYS 13 2HD LYS 13 -1.333 9.545 17.035 91 HD3 LYS 13 1HD LYS 13 -0.758 8.408 18.258 92 HE2 LYS 13 2HE LYS 13 0.231 10.254 19.516 93 HE3 LYS 13 1HE LYS 13 -0.333 11.393 18.294 94 HZ1 LYS 13 3HZ LYS 13 -2.589 10.904 18.854 95 HZ2 LYS 13 1HZ LYS 13 -1.760 11.265 20.291 96 HZ3 LYS 13 2HZ LYS 13 -2.127 9.656 19.902 97 H LYS 14 H LYS 14 1.284 5.687 15.996 98 HA LYS 14 HA LYS 14 2.815 4.297 13.936 99 HB2 LYS 14 2HB LYS 14 1.512 3.408 16.492 100 HB3 LYS 14 1HB LYS 14 2.016 2.245 15.273 101 HG2 LYS 14 2HG LYS 14 3.830 4.258 16.585 102 HG3 LYS 14 1HG LYS 14 3.689 2.560 17.045 103 HD2 LYS 14 2HD LYS 14 4.493 3.539 14.307 104 HD3 LYS 14 1HD LYS 14 5.624 3.018 15.558 105 HE2 LYS 14 2HE LYS 14 4.879 0.795 15.457 106 HE3 LYS 14 1HE LYS 14 3.400 1.239 14.605 107 HZ1 LYS 14 3HZ LYS 14 6.140 1.409 13.468 108 HZ2 LYS 14 1HZ LYS 14 4.694 1.781 12.661 109 HZ3 LYS 14 2HZ LYS 14 5.011 0.191 13.135 110 H GLU 15 H GLU 15 1.843 2.442 12.871 111 HA GLU 15 HA GLU 15 -0.461 3.020 11.432 112 HB2 GLU 15 2HB GLU 15 0.639 0.254 11.958 113 HB3 GLU 15 1HB GLU 15 -0.357 0.748 10.598 114 HG2 GLU 15 2HG GLU 15 1.752 0.644 9.674 115 HG3 GLU 15 1HG GLU 15 1.585 2.357 10.050 116 H ASP 16 H ASP 16 -2.479 1.747 11.362 117 HA ASP 16 HA ASP 16 -3.660 1.741 13.991 118 HB2 ASP 16 2HB ASP 16 -4.822 2.665 11.988 119 HB3 ASP 16 1HB ASP 16 -4.920 1.036 11.331 120 H LYS 17 H LYS 17 -3.185 0.078 15.226 121 HA LYS 17 HA LYS 17 -3.133 -1.995 16.104 122 HB2 LYS 17 2HB LYS 17 -4.807 -2.666 13.693 123 HB3 LYS 17 1HB LYS 17 -4.308 -3.889 14.853 124 HG2 LYS 17 2HG LYS 17 -6.455 -3.271 15.529 125 HG3 LYS 17 1HG LYS 17 -5.381 -2.405 16.629 126 HD2 LYS 17 2HD LYS 17 -5.584 -0.421 15.105 127 HD3 LYS 17 1HD LYS 17 -6.840 -1.303 14.235 128 HE2 LYS 17 2HE LYS 17 -8.133 -1.464 16.323 129 HE3 LYS 17 1HE LYS 17 -6.890 -0.523 17.148 130 HZ1 LYS 17 3HZ LYS 17 -8.763 0.351 15.035 131 HZ2 LYS 17 1HZ LYS 17 -7.337 1.216 15.360 132 HZ3 LYS 17 2HZ LYS 17 -8.509 1.021 16.571 133 H VAL 18 H VAL 18 -1.036 -2.407 16.149 134 HA VAL 18 HA VAL 18 0.204 -3.724 13.830 135 HB VAL 18 HB VAL 18 1.583 -2.590 16.273 136 HG11 VAL 18 1HG1 VAL 18 2.664 -3.560 13.627 137 HG12 VAL 18 2HG1 VAL 18 2.870 -4.340 15.197 138 HG13 VAL 18 3HG1 VAL 18 3.617 -2.774 14.886 139 HG21 VAL 18 3HG2 VAL 18 0.510 -0.806 15.000 140 HG22 VAL 18 1HG2 VAL 18 1.278 -1.386 13.523 141 HG23 VAL 18 2HG2 VAL 18 2.264 -0.729 14.828 142 HA PRO 19 HA PRO 19 -0.485 -7.113 16.801 143 HB2 PRO 19 2HB PRO 19 -1.496 -8.905 15.072 144 HB3 PRO 19 1HB PRO 19 -2.455 -7.569 15.714 145 HG2 PRO 19 2HG PRO 19 -1.307 -7.941 13.017 146 HG3 PRO 19 1HG PRO 19 -2.716 -6.994 13.520 147 HD2 PRO 19 2HD PRO 19 -0.077 -6.054 12.974 148 HD3 PRO 19 1HD PRO 19 -1.465 -5.116 13.554 149 H VAL 20 H VAL 20 1.209 -8.232 17.454 150 HA VAL 20 HA VAL 20 2.852 -9.762 17.578 151 HB VAL 20 HB VAL 20 1.826 -10.621 14.888 152 HG11 VAL 20 1HG1 VAL 20 3.644 -12.077 16.806 153 HG12 VAL 20 2HG1 VAL 20 4.103 -11.421 15.234 154 HG13 VAL 20 3HG1 VAL 20 2.954 -12.754 15.331 155 HG21 VAL 20 3HG2 VAL 20 0.127 -10.776 16.596 156 HG22 VAL 20 1HG2 VAL 20 1.239 -11.633 17.666 157 HG23 VAL 20 2HG2 VAL 20 0.689 -12.394 16.172 158 H LYS 21 H LYS 21 4.664 -8.611 17.623 159 HA LYS 21 HA LYS 21 5.870 -7.595 15.190 160 HB2 LYS 21 2HB LYS 21 6.915 -7.615 18.028 161 HB3 LYS 21 1HB LYS 21 7.665 -6.786 16.674 162 HG2 LYS 21 2HG LYS 21 5.600 -5.398 16.479 163 HG3 LYS 21 1HG LYS 21 5.025 -6.151 17.971 164 HD2 LYS 21 2HD LYS 21 7.074 -5.362 19.115 165 HD3 LYS 21 1HD LYS 21 7.559 -4.547 17.629 166 HE2 LYS 21 2HE LYS 21 6.575 -2.901 19.011 167 HE3 LYS 21 1HE LYS 21 5.399 -3.271 17.752 168 HZ1 LYS 21 3HZ LYS 21 4.131 -4.562 19.265 169 HZ2 LYS 21 1HZ LYS 21 4.478 -3.095 20.042 170 HZ3 LYS 21 2HZ LYS 21 5.338 -4.497 20.452 171 H LYS 22 H LYS 22 6.911 -8.983 13.905 172 HA LYS 22 HA LYS 22 8.846 -10.801 15.173 173 HB2 LYS 22 2HB LYS 22 7.268 -11.408 12.662 174 HB3 LYS 22 1HB LYS 22 8.471 -12.447 13.410 175 HG2 LYS 22 2HG LYS 22 7.018 -12.634 15.401 176 HG3 LYS 22 1HG LYS 22 5.797 -11.673 14.563 177 HD2 LYS 22 2HD LYS 22 5.147 -13.905 14.223 178 HD3 LYS 22 1HD LYS 22 5.924 -13.426 12.714 179 HE2 LYS 22 2HE LYS 22 6.741 -15.589 13.243 180 HE3 LYS 22 1HE LYS 22 8.043 -14.457 13.604 181 HZ1 LYS 22 3HZ LYS 22 7.296 -14.525 15.965 182 HZ2 LYS 22 1HZ LYS 22 7.886 -16.009 15.386 183 HZ3 LYS 22 2HZ LYS 22 6.216 -15.762 15.547 184 H GLN 23 H GLN 23 10.698 -9.716 14.814 185 HA GLN 23 HA GLN 23 11.048 -8.373 12.250 186 HB2 GLN 23 2HB GLN 23 13.076 -7.371 13.360 187 HB3 GLN 23 1HB GLN 23 11.527 -6.951 14.073 188 HG2 GLN 23 2HG GLN 23 11.904 -8.644 15.820 189 HG3 GLN 23 1HG GLN 23 13.489 -8.976 15.123 190 HE21 GLN 23 1HE2 GLN 23 11.548 -6.700 16.890 191 HE22 GLN 23 2HE2 GLN 23 12.854 -5.684 17.407 192 H LYS 24 H LYS 24 11.354 -10.250 10.988 193 HA LYS 24 HA LYS 24 13.827 -11.736 11.401 194 HB2 LYS 24 2HB LYS 24 11.603 -11.957 9.378 195 HB3 LYS 24 1HB LYS 24 13.099 -12.866 9.227 196 HG2 LYS 24 2HG LYS 24 12.673 -13.928 11.382 197 HG3 LYS 24 1HG LYS 24 11.164 -13.022 11.527 198 HD2 LYS 24 2HD LYS 24 10.255 -14.120 9.595 199 HD3 LYS 24 1HD LYS 24 11.799 -14.903 9.261 200 HE2 LYS 24 2HE LYS 24 10.145 -15.346 11.741 201 HE3 LYS 24 1HE LYS 24 10.148 -16.408 10.333 202 HZ1 LYS 24 3HZ LYS 24 12.527 -15.777 12.005 203 HZ2 LYS 24 1HZ LYS 24 12.490 -16.839 10.684 204 HZ3 LYS 24 2HZ LYS 24 11.621 -17.208 12.094 205 H THR 25 H THR 25 15.418 -11.870 9.617 206 HA THR 25 HA THR 25 15.887 -9.204 8.578 207 HB THR 25 HB THR 25 17.660 -11.622 8.217 208 HG1 THR 25 1HG THR 25 18.564 -10.054 10.162 209 HG21 THR 25 3HG2 THR 25 19.424 -9.957 7.998 210 HG22 THR 25 1HG2 THR 25 18.267 -8.660 8.297 211 HG23 THR 25 2HG2 THR 25 18.146 -9.627 6.828 212 H ARG 26 H ARG 26 13.973 -9.423 7.205 213 HA ARG 26 HA ARG 26 14.667 -10.647 4.613 214 HB2 ARG 26 2HB ARG 26 11.905 -10.271 5.802 215 HB3 ARG 26 1HB ARG 26 12.241 -10.896 4.198 216 HG2 ARG 26 2HG ARG 26 13.184 -12.244 6.713 217 HG3 ARG 26 1HG ARG 26 11.637 -12.596 5.947 218 HD2 ARG 26 2HD ARG 26 12.974 -14.231 5.047 219 HD3 ARG 26 1HD ARG 26 13.093 -12.971 3.821 220 HE ARG 26 HE ARG 26 15.200 -12.464 5.465 221 HH11 ARG 26 1HH1 ARG 26 14.085 -15.256 3.672 222 HH12 ARG 26 2HH1 ARG 26 15.667 -15.964 3.528 223 HH21 ARG 26 1HH2 ARG 26 17.280 -13.377 5.285 224 HH22 ARG 26 2HH2 ARG 26 17.488 -14.908 4.480 225 H THR 27 H THR 27 13.478 -9.440 2.776 226 HA THR 27 HA THR 27 13.661 -6.586 3.265 227 HB THR 27 HB THR 27 13.091 -6.431 0.798 228 HG1 THR 27 1HG THR 27 13.203 -8.311 -0.399 229 HG21 THR 27 3HG2 THR 27 15.353 -7.105 0.090 230 HG22 THR 27 1HG2 THR 27 15.565 -7.954 1.621 231 HG23 THR 27 2HG2 THR 27 15.375 -6.201 1.605 232 H VAL 28 H VAL 28 11.977 -5.185 3.236 233 HA VAL 28 HA VAL 28 9.265 -6.222 2.923 234 HB VAL 28 HB VAL 28 8.566 -5.203 5.100 235 HG11 VAL 28 1HG1 VAL 28 9.363 -7.027 6.519 236 HG12 VAL 28 2HG1 VAL 28 10.585 -7.430 5.315 237 HG13 VAL 28 3HG1 VAL 28 8.872 -7.609 4.928 238 HG21 VAL 28 3HG2 VAL 28 11.536 -5.063 5.615 239 HG22 VAL 28 1HG2 VAL 28 10.269 -4.776 6.809 240 HG23 VAL 28 2HG2 VAL 28 10.445 -3.689 5.431 241 H PHE 29 H PHE 29 7.756 -4.196 3.675 242 HA PHE 29 HA PHE 29 8.544 -2.022 1.939 243 HB2 PHE 29 2HB PHE 29 6.005 -2.584 3.479 244 HB3 PHE 29 1HB PHE 29 6.250 -1.164 2.474 245 HD1 PHE 29 1HD PHE 29 6.428 -1.370 0.052 246 HD2 PHE 29 2HD PHE 29 5.569 -4.725 2.521 247 HE1 PHE 29 1HE PHE 29 5.635 -2.616 -1.923 248 HE2 PHE 29 2HE PHE 29 4.782 -5.978 0.560 249 HZ PHE 29 HZ PHE 29 4.811 -4.924 -1.665 250 H SER 30 H SER 30 8.668 0.147 2.612 251 HA SER 30 HA SER 30 9.861 0.467 5.198 252 HB2 SER 30 2HB SER 30 9.181 2.587 3.145 253 HB3 SER 30 1HB SER 30 10.332 2.734 4.476 254 HG SER 30 HG SER 30 10.524 0.946 2.262 255 H SER 31 H SER 31 9.169 2.050 6.779 256 HA SER 31 HA SER 31 6.494 1.640 7.530 257 HB2 SER 31 2HB SER 31 8.411 3.766 8.517 258 HB3 SER 31 1HB SER 31 6.979 3.176 9.362 259 HG SER 31 HG SER 31 8.207 1.015 8.971 260 H THR 32 H THR 32 8.068 4.243 5.785 261 HA THR 32 HA THR 32 6.034 6.157 5.888 262 HB THR 32 HB THR 32 7.848 5.687 3.514 263 HG1 THR 32 1HG THR 32 9.076 7.391 4.927 264 HG21 THR 32 3HG2 THR 32 6.644 8.202 4.680 265 HG22 THR 32 1HG2 THR 32 6.094 7.384 3.218 266 HG23 THR 32 2HG2 THR 32 7.697 8.121 3.268 267 H GLN 33 H GLN 33 6.637 3.597 3.480 268 HA GLN 33 HA GLN 33 4.381 4.167 1.883 269 HB2 GLN 33 2HB GLN 33 5.868 1.556 2.235 270 HB3 GLN 33 1HB GLN 33 4.715 1.900 0.954 271 HG2 GLN 33 2HG GLN 33 6.185 3.720 0.171 272 HG3 GLN 33 1HG GLN 33 7.359 3.259 1.403 273 HE21 GLN 33 1HE2 GLN 33 5.408 0.954 -0.348 274 HE22 GLN 33 2HE2 GLN 33 6.699 0.264 -1.264 275 H LEU 34 H LEU 34 4.942 1.761 4.433 276 HA LEU 34 HA LEU 34 2.441 0.543 4.401 277 HB2 LEU 34 2HB LEU 34 4.331 0.995 6.705 278 HB3 LEU 34 1HB LEU 34 2.918 -0.038 6.796 279 HG LEU 34 HG LEU 34 5.258 -0.449 4.935 280 HD11 LEU 34 1HD1 LEU 34 5.762 -2.374 6.357 281 HD12 LEU 34 2HD1 LEU 34 4.453 -1.911 7.445 282 HD13 LEU 34 3HD1 LEU 34 5.855 -0.858 7.253 283 HD21 LEU 34 3HD2 LEU 34 2.830 -2.165 5.465 284 HD22 LEU 34 1HD2 LEU 34 4.205 -2.603 4.451 285 HD23 LEU 34 2HD2 LEU 34 3.161 -1.259 3.986 286 H CYS 35 H CYS 35 3.485 3.412 6.218 287 HA CYS 35 HA CYS 35 1.181 3.702 7.783 288 HB2 CYS 35 2HB CYS 35 3.243 4.902 8.276 289 HB3 CYS 35 1HB CYS 35 3.100 5.817 6.780 290 HG CYS 35 HG CYS 35 0.379 6.179 8.615 291 H VAL 36 H VAL 36 2.002 5.163 4.641 292 HA VAL 36 HA VAL 36 -0.396 6.674 4.469 293 HB VAL 36 HB VAL 36 1.394 5.818 2.185 294 HG11 VAL 36 1HG1 VAL 36 0.504 7.823 1.074 295 HG12 VAL 36 2HG1 VAL 36 -0.566 8.098 2.449 296 HG13 VAL 36 3HG1 VAL 36 -0.765 6.659 1.449 297 HG21 VAL 36 3HG2 VAL 36 2.685 6.959 3.910 298 HG22 VAL 36 1HG2 VAL 36 1.526 8.288 3.915 299 HG23 VAL 36 2HG2 VAL 36 2.509 7.981 2.485 300 H LEU 37 H LEU 37 0.573 3.509 3.218 301 HA LEU 37 HA LEU 37 -1.752 2.992 1.715 302 HB2 LEU 37 2HB LEU 37 0.137 1.093 3.110 303 HB3 LEU 37 1HB LEU 37 -1.130 0.585 2.012 304 HG LEU 37 HG LEU 37 1.210 2.344 1.267 305 HD11 LEU 37 1HD1 LEU 37 1.928 0.079 1.731 306 HD12 LEU 37 2HD1 LEU 37 1.964 0.379 -0.007 307 HD13 LEU 37 3HD1 LEU 37 0.653 -0.566 0.701 308 HD21 LEU 37 3HD2 LEU 37 -0.797 2.808 -0.045 309 HD22 LEU 37 1HD2 LEU 37 -0.948 1.096 -0.430 310 HD23 LEU 37 2HD2 LEU 37 0.436 2.014 -1.025 311 H ASN 38 H ASN 38 -0.932 2.419 5.095 312 HA ASN 38 HA ASN 38 -3.242 0.951 5.786 313 HB2 ASN 38 2HB ASN 38 -1.199 1.004 7.178 314 HB3 ASN 38 1HB ASN 38 -1.487 2.703 7.529 315 HD21 ASN 38 1HD2 ASN 38 -3.899 0.128 7.383 316 HD22 ASN 38 2HD2 ASN 38 -4.339 0.220 9.050 317 H ASP 39 H ASP 39 -2.420 4.386 6.080 318 HA ASP 39 HA ASP 39 -4.765 5.275 7.265 319 HB2 ASP 39 2HB ASP 39 -2.969 6.808 7.172 320 HB3 ASP 39 1HB ASP 39 -2.804 6.638 5.427 321 H ARG 40 H ARG 40 -3.968 5.111 3.814 322 HA ARG 40 HA ARG 40 -6.388 6.245 2.924 323 HB2 ARG 40 2HB ARG 40 -4.047 4.973 1.711 324 HB3 ARG 40 1HB ARG 40 -5.533 4.717 0.806 325 HG2 ARG 40 2HG ARG 40 -4.309 6.681 0.023 326 HG3 ARG 40 1HG ARG 40 -5.893 7.108 0.660 327 HD2 ARG 40 2HD ARG 40 -4.885 7.863 2.735 328 HD3 ARG 40 1HD ARG 40 -3.295 7.354 2.171 329 HE ARG 40 HE ARG 40 -3.961 9.067 0.260 330 HH11 ARG 40 1HH1 ARG 40 -4.288 9.370 3.745 331 HH12 ARG 40 2HH1 ARG 40 -4.089 11.100 3.721 332 HH21 ARG 40 1HH2 ARG 40 -3.712 11.354 0.251 333 HH22 ARG 40 2HH2 ARG 40 -3.799 12.230 1.749 334 H PHE 41 H PHE 41 -5.382 2.862 3.326 335 HA PHE 41 HA PHE 41 -7.808 1.827 2.233 336 HB2 PHE 41 2HB PHE 41 -5.494 0.588 3.686 337 HB3 PHE 41 1HB PHE 41 -6.951 -0.345 3.344 338 HD1 PHE 41 1HD PHE 41 -7.739 0.691 0.753 339 HD2 PHE 41 2HD PHE 41 -3.873 -0.270 2.237 340 HE1 PHE 41 1HE PHE 41 -6.975 0.289 -1.527 341 HE2 PHE 41 2HE PHE 41 -3.093 -0.682 -0.061 342 HZ PHE 41 HZ PHE 41 -4.648 -0.402 -1.955 343 H GLN 42 H GLN 42 -6.918 2.970 5.372 344 HA GLN 42 HA GLN 42 -9.119 1.556 6.648 345 HB2 GLN 42 2HB GLN 42 -7.071 3.502 7.681 346 HB3 GLN 42 1HB GLN 42 -8.421 2.949 8.664 347 HG2 GLN 42 2HG GLN 42 -6.375 1.148 7.387 348 HG3 GLN 42 1HG GLN 42 -6.337 1.693 9.062 349 HE21 GLN 42 1HE2 GLN 42 -7.743 0.822 10.539 350 HE22 GLN 42 2HE2 GLN 42 -8.697 -0.582 10.206 351 H ARG 43 H ARG 43 -8.560 4.627 5.168 352 HA ARG 43 HA ARG 43 -10.996 5.718 6.381 353 HB2 ARG 43 2HB ARG 43 -10.315 7.864 5.453 354 HB3 ARG 43 1HB ARG 43 -9.002 7.153 6.380 355 HG2 ARG 43 2HG ARG 43 -8.157 6.282 4.117 356 HG3 ARG 43 1HG ARG 43 -9.262 7.465 3.418 357 HD2 ARG 43 2HD ARG 43 -7.070 8.070 5.396 358 HD3 ARG 43 1HD ARG 43 -6.984 8.345 3.659 359 HE ARG 43 HE ARG 43 -9.146 9.772 4.296 360 HH11 ARG 43 1HH1 ARG 43 -6.039 9.562 5.919 361 HH12 ARG 43 2HH1 ARG 43 -6.054 11.230 6.402 362 HH21 ARG 43 1HH2 ARG 43 -9.169 11.940 4.920 363 HH22 ARG 43 2HH2 ARG 43 -7.826 12.610 5.802 364 H GLN 44 H GLN 44 -9.734 4.537 3.366 365 HA GLN 44 HA GLN 44 -12.433 4.719 2.216 366 HB2 GLN 44 2HB GLN 44 -9.853 5.288 0.726 367 HB3 GLN 44 1HB GLN 44 -11.449 5.189 -0.007 368 HG2 GLN 44 2HG GLN 44 -12.162 7.117 1.344 369 HG3 GLN 44 1HG GLN 44 -10.536 7.229 2.012 370 HE21 GLN 44 1HE2 GLN 44 -12.063 9.173 0.483 371 HE22 GLN 44 2HE2 GLN 44 -11.106 9.545 -0.908 372 H LYS 45 H LYS 45 -12.792 3.039 0.538 373 HA LYS 45 HA LYS 45 -11.765 0.549 1.441 374 HB2 LYS 45 2HB LYS 45 -13.434 1.250 -0.974 375 HB3 LYS 45 1HB LYS 45 -13.051 -0.395 -0.490 376 HG2 LYS 45 2HG LYS 45 -14.194 -0.023 1.645 377 HG3 LYS 45 1HG LYS 45 -14.609 1.612 1.123 378 HD2 LYS 45 2HD LYS 45 -15.934 0.758 -0.687 379 HD3 LYS 45 1HD LYS 45 -15.392 -0.887 -0.362 380 HE2 LYS 45 2HE LYS 45 -17.614 -0.614 0.515 381 HE3 LYS 45 1HE LYS 45 -16.485 -0.761 1.860 382 HZ1 LYS 45 3HZ LYS 45 -18.062 0.985 2.282 383 HZ2 LYS 45 1HZ LYS 45 -17.671 1.759 0.825 384 HZ3 LYS 45 2HZ LYS 45 -16.526 1.671 2.071 385 H TYR 46 H TYR 46 -11.365 2.309 -1.627 386 HA TYR 46 HA TYR 46 -8.743 1.123 -1.982 387 HB2 TYR 46 2HB TYR 46 -11.005 0.666 -3.939 388 HB3 TYR 46 1HB TYR 46 -9.310 0.438 -4.349 389 HD1 TYR 46 2HD TYR 46 -7.992 -1.219 -2.802 390 HD2 TYR 46 1HD TYR 46 -12.233 -1.134 -3.136 391 HE1 TYR 46 2HE TYR 46 -8.097 -3.527 -1.967 392 HE2 TYR 46 1HE TYR 46 -12.350 -3.443 -2.293 393 HH TYR 46 HH TYR 46 -9.702 -5.003 -0.846 394 H LEU 47 H LEU 47 -7.658 2.076 -3.937 395 HA LEU 47 HA LEU 47 -8.372 4.905 -4.097 396 HB2 LEU 47 2HB LEU 47 -5.819 3.430 -4.727 397 HB3 LEU 47 1HB LEU 47 -6.063 5.114 -5.131 398 HG LEU 47 HG LEU 47 -4.808 5.101 -3.137 399 HD11 LEU 47 1HD1 LEU 47 -7.689 5.567 -2.403 400 HD12 LEU 47 2HD1 LEU 47 -6.586 6.735 -3.132 401 HD13 LEU 47 3HD1 LEU 47 -6.290 6.144 -1.497 402 HD21 LEU 47 3HD2 LEU 47 -5.448 3.872 -1.124 403 HD22 LEU 47 1HD2 LEU 47 -5.157 2.789 -2.485 404 HD23 LEU 47 2HD2 LEU 47 -6.809 3.161 -1.993 405 H SER 48 H SER 48 -8.501 5.998 -6.091 406 HA SER 48 HA SER 48 -9.412 4.334 -8.269 407 HB2 SER 48 2HB SER 48 -10.030 6.569 -9.276 408 HB3 SER 48 1HB SER 48 -10.803 6.219 -7.728 409 HG SER 48 HG SER 48 -10.045 8.254 -7.503 410 H LEU 49 H LEU 49 -8.769 5.391 -10.518 411 HA LEU 49 HA LEU 49 -6.090 4.713 -10.936 412 HB2 LEU 49 2HB LEU 49 -8.241 5.951 -12.596 413 HB3 LEU 49 1HB LEU 49 -6.608 5.908 -13.202 414 HG LEU 49 HG LEU 49 -6.636 3.413 -12.886 415 HD11 LEU 49 1HD1 LEU 49 -8.444 3.265 -11.269 416 HD12 LEU 49 2HD1 LEU 49 -8.815 2.318 -12.708 417 HD13 LEU 49 3HD1 LEU 49 -9.584 3.885 -12.463 418 HD21 LEU 49 3HD2 LEU 49 -7.924 2.996 -14.910 419 HD22 LEU 49 1HD2 LEU 49 -6.952 4.457 -15.066 420 HD23 LEU 49 2HD2 LEU 49 -8.685 4.581 -14.763 421 H GLN 50 H GLN 50 -7.683 7.781 -10.423 422 HA GLN 50 HA GLN 50 -5.422 9.381 -11.129 423 HB2 GLN 50 2HB GLN 50 -7.758 10.221 -11.191 424 HB3 GLN 50 1HB GLN 50 -7.829 10.104 -9.439 425 HG2 GLN 50 2HG GLN 50 -7.437 12.375 -9.992 426 HG3 GLN 50 1HG GLN 50 -5.937 11.727 -9.332 427 HE21 GLN 50 1HE2 GLN 50 -6.405 14.035 -11.070 428 HE22 GLN 50 2HE2 GLN 50 -5.436 13.765 -12.483 429 H GLN 51 H GLN 51 -6.712 8.012 -8.144 430 HA GLN 51 HA GLN 51 -4.965 9.509 -6.470 431 HB2 GLN 51 2HB GLN 51 -6.746 7.154 -5.897 432 HB3 GLN 51 1HB GLN 51 -5.805 7.991 -4.675 433 HG2 GLN 51 2HG GLN 51 -7.043 10.087 -5.753 434 HG3 GLN 51 1HG GLN 51 -8.236 8.840 -6.102 435 HE21 GLN 51 1HE2 GLN 51 -9.268 7.789 -4.369 436 HE22 GLN 51 2HE2 GLN 51 -9.244 8.433 -2.766 437 H MET 52 H MET 52 -4.845 6.309 -7.937 438 HA MET 52 HA MET 52 -2.717 5.341 -6.328 439 HB2 MET 52 2HB MET 52 -2.411 3.628 -8.099 440 HB3 MET 52 1HB MET 52 -4.054 3.749 -7.492 441 HG2 MET 52 2HG MET 52 -4.658 5.074 -9.473 442 HG3 MET 52 1HG MET 52 -3.022 4.853 -10.089 443 HE1 MET 52 3HE MET 52 -5.927 1.329 -9.384 444 HE2 MET 52 1HE MET 52 -6.356 3.008 -9.048 445 HE3 MET 52 2HE MET 52 -5.108 2.207 -8.091 446 H GLN 53 H GLN 53 -2.731 7.114 -9.418 447 HA GLN 53 HA GLN 53 0.118 6.936 -9.670 448 HB2 GLN 53 2HB GLN 53 -0.055 8.427 -11.523 449 HB3 GLN 53 1HB GLN 53 -1.397 7.302 -11.619 450 HG2 GLN 53 2HG GLN 53 -2.918 8.985 -10.776 451 HG3 GLN 53 1HG GLN 53 -1.580 10.114 -10.563 452 HE21 GLN 53 1HE2 GLN 53 -1.849 7.945 -13.274 453 HE22 GLN 53 2HE2 GLN 53 -2.152 9.152 -14.475 454 H GLU 54 H GLU 54 -2.132 9.201 -8.262 455 HA GLU 54 HA GLU 54 -0.286 11.268 -7.714 456 HB2 GLU 54 2HB GLU 54 -2.775 11.495 -7.664 457 HB3 GLU 54 1HB GLU 54 -2.801 10.524 -6.201 458 HG2 GLU 54 2HG GLU 54 -1.520 12.219 -5.028 459 HG3 GLU 54 1HG GLU 54 -1.430 13.185 -6.501 460 H LEU 55 H LEU 55 -1.281 8.355 -6.024 461 HA LEU 55 HA LEU 55 0.130 8.841 -3.618 462 HB2 LEU 55 2HB LEU 55 -1.728 7.236 -3.793 463 HB3 LEU 55 1HB LEU 55 -0.743 6.218 -4.826 464 HG LEU 55 HG LEU 55 0.827 5.860 -2.956 465 HD11 LEU 55 1HD1 LEU 55 0.450 7.954 -1.769 466 HD12 LEU 55 2HD1 LEU 55 0.208 6.568 -0.704 467 HD13 LEU 55 3HD1 LEU 55 -1.184 7.434 -1.357 468 HD21 LEU 55 3HD2 LEU 55 -1.033 4.301 -3.362 469 HD22 LEU 55 1HD2 LEU 55 -2.040 5.232 -2.255 470 HD23 LEU 55 2HD2 LEU 55 -0.607 4.396 -1.654 471 H SER 56 H SER 56 0.924 6.993 -6.532 472 HA SER 56 HA SER 56 3.408 6.019 -5.676 473 HB2 SER 56 2HB SER 56 3.937 5.920 -8.173 474 HB3 SER 56 1HB SER 56 2.509 5.042 -7.632 475 HG SER 56 HG SER 56 2.219 7.694 -8.506 476 H ASN 57 H ASN 57 2.452 9.147 -6.885 477 HA ASN 57 HA ASN 57 5.026 10.133 -7.535 478 HB2 ASN 57 2HB ASN 57 2.889 11.135 -8.328 479 HB3 ASN 57 1HB ASN 57 2.566 11.683 -6.687 480 HD21 ASN 57 1HD2 ASN 57 3.663 13.448 -5.883 481 HD22 ASN 57 2HD2 ASN 57 4.655 14.465 -6.866 482 H ILE 58 H ILE 58 3.174 9.984 -4.550 483 HA ILE 58 HA ILE 58 4.816 11.767 -3.048 484 HB ILE 58 HB ILE 58 3.189 9.505 -1.888 485 HG12 ILE 58 2HG1 ILE 58 2.191 12.252 -2.670 486 HG13 ILE 58 1HG1 ILE 58 1.800 10.756 -3.507 487 HG21 ILE 58 1HG2 ILE 58 2.933 11.067 -0.002 488 HG22 ILE 58 2HG2 ILE 58 3.962 12.227 -0.841 489 HG23 ILE 58 3HG2 ILE 58 4.620 10.676 -0.323 490 HD11 ILE 58 3HD1 ILE 58 1.083 11.439 -0.667 491 HD12 ILE 58 1HD1 ILE 58 0.714 9.919 -1.483 492 HD13 ILE 58 2HD1 ILE 58 -0.011 11.423 -2.052 493 H LEU 59 H LEU 59 4.665 8.259 -3.420 494 HA LEU 59 HA LEU 59 6.757 7.856 -1.479 495 HB2 LEU 59 2HB LEU 59 5.274 5.892 -3.216 496 HB3 LEU 59 1HB LEU 59 6.403 5.456 -1.947 497 HG LEU 59 HG LEU 59 3.790 6.919 -1.540 498 HD11 LEU 59 1HD1 LEU 59 3.077 4.837 -0.443 499 HD12 LEU 59 2HD1 LEU 59 4.584 4.070 -0.947 500 HD13 LEU 59 3HD1 LEU 59 3.420 4.608 -2.158 501 HD21 LEU 59 3HD2 LEU 59 4.214 6.587 0.835 502 HD22 LEU 59 1HD2 LEU 59 5.488 7.555 0.095 503 HD23 LEU 59 2HD2 LEU 59 5.776 5.854 0.465 504 H ASN 60 H ASN 60 6.861 8.840 -4.547 505 HA ASN 60 HA ASN 60 8.381 8.849 -6.231 506 HB2 ASN 60 2HB ASN 60 9.886 9.415 -4.288 507 HB3 ASN 60 1HB ASN 60 10.304 7.711 -4.184 508 HD21 ASN 60 1HD2 ASN 60 9.782 9.479 -7.190 509 HD22 ASN 60 2HD2 ASN 60 11.429 9.377 -7.723 510 H LEU 61 H LEU 61 6.675 6.704 -6.124 511 HA LEU 61 HA LEU 61 8.337 4.472 -7.100 512 HB2 LEU 61 2HB LEU 61 5.646 4.362 -5.733 513 HB3 LEU 61 1HB LEU 61 6.455 2.984 -6.453 514 HG LEU 61 HG LEU 61 7.483 4.586 -4.108 515 HD11 LEU 61 1HD1 LEU 61 6.991 2.576 -2.809 516 HD12 LEU 61 2HD1 LEU 61 6.292 1.819 -4.241 517 HD13 LEU 61 3HD1 LEU 61 5.531 3.246 -3.537 518 HD21 LEU 61 3HD2 LEU 61 8.556 2.098 -5.435 519 HD22 LEU 61 1HD2 LEU 61 9.163 2.797 -3.932 520 HD23 LEU 61 2HD2 LEU 61 9.304 3.695 -5.443 521 H SER 62 H SER 62 6.642 2.968 -8.408 522 HA SER 62 HA SER 62 5.874 4.685 -10.627 523 HB2 SER 62 2HB SER 62 7.314 2.863 -11.217 524 HB3 SER 62 1HB SER 62 6.284 1.704 -10.376 525 HG SER 62 HG SER 62 5.998 2.874 -12.886 526 H TYR 63 H TYR 63 3.877 4.685 -11.545 527 HA TYR 63 HA TYR 63 1.574 4.425 -10.008 528 HB2 TYR 63 2HB TYR 63 1.409 5.831 -11.881 529 HB3 TYR 63 1HB TYR 63 2.123 4.640 -12.959 530 HD1 TYR 63 2HD TYR 63 -0.965 5.691 -11.261 531 HD2 TYR 63 1HD TYR 63 0.763 2.955 -14.020 532 HE1 TYR 63 2HE TYR 63 -3.209 5.038 -12.010 533 HE2 TYR 63 1HE TYR 63 -1.481 2.292 -14.775 534 HH TYR 63 HH TYR 63 -4.244 4.062 -14.073 535 H LYS 64 H LYS 64 3.187 2.214 -12.163 536 HA LYS 64 HA LYS 64 1.106 0.278 -12.274 537 HB2 LYS 64 2HB LYS 64 4.055 0.082 -12.908 538 HB3 LYS 64 1HB LYS 64 2.831 -1.095 -13.363 539 HG2 LYS 64 2HG LYS 64 1.887 0.289 -14.945 540 HG3 LYS 64 1HG LYS 64 2.517 1.754 -14.189 541 HD2 LYS 64 2HD LYS 64 4.795 1.066 -14.876 542 HD3 LYS 64 1HD LYS 64 4.090 -0.315 -15.720 543 HE2 LYS 64 2HE LYS 64 2.875 1.137 -17.199 544 HE3 LYS 64 1HE LYS 64 3.364 2.556 -16.275 545 HZ1 LYS 64 3HZ LYS 64 5.640 2.168 -16.917 546 HZ2 LYS 64 1HZ LYS 64 4.667 2.294 -18.295 547 HZ3 LYS 64 2HZ LYS 64 5.202 0.770 -17.775 548 H GLN 65 H GLN 65 3.903 0.852 -10.266 549 HA GLN 65 HA GLN 65 3.888 -1.639 -8.917 550 HB2 GLN 65 2HB GLN 65 5.750 0.129 -8.983 551 HB3 GLN 65 1HB GLN 65 4.836 0.979 -7.751 552 HG2 GLN 65 2HG GLN 65 5.734 -1.862 -7.408 553 HG3 GLN 65 1HG GLN 65 6.746 -0.489 -6.974 554 HE21 GLN 65 1HE2 GLN 65 5.633 -2.603 -5.297 555 HE22 GLN 65 2HE2 GLN 65 4.683 -1.796 -4.092 556 H VAL 66 H VAL 66 2.465 1.545 -8.227 557 HA VAL 66 HA VAL 66 1.239 0.768 -5.776 558 HB VAL 66 HB VAL 66 0.551 3.028 -7.661 559 HG11 VAL 66 1HG1 VAL 66 -1.383 2.464 -6.280 560 HG12 VAL 66 2HG1 VAL 66 -0.675 3.994 -5.761 561 HG13 VAL 66 3HG1 VAL 66 -0.380 2.525 -4.831 562 HG21 VAL 66 3HG2 VAL 66 1.740 4.393 -6.004 563 HG22 VAL 66 1HG2 VAL 66 2.787 3.157 -6.702 564 HG23 VAL 66 2HG2 VAL 66 2.119 2.937 -5.084 565 H LYS 67 H LYS 67 0.128 0.886 -9.106 566 HA LYS 67 HA LYS 67 -2.567 0.254 -8.692 567 HB2 LYS 67 2HB LYS 67 -1.551 1.139 -10.792 568 HB3 LYS 67 1HB LYS 67 -0.859 -0.448 -11.081 569 HG2 LYS 67 2HG LYS 67 -3.151 -1.380 -11.148 570 HG3 LYS 67 1HG LYS 67 -3.781 0.263 -10.998 571 HD2 LYS 67 2HD LYS 67 -2.405 0.832 -13.043 572 HD3 LYS 67 1HD LYS 67 -2.146 -0.904 -13.238 573 HE2 LYS 67 2HE LYS 67 -3.985 -0.240 -14.626 574 HE3 LYS 67 1HE LYS 67 -4.606 -1.206 -13.291 575 HZ1 LYS 67 3HZ LYS 67 -5.301 0.795 -12.174 576 HZ2 LYS 67 1HZ LYS 67 -5.965 0.756 -13.731 577 HZ3 LYS 67 2HZ LYS 67 -4.637 1.763 -13.398 578 H THR 68 H THR 68 0.236 -1.809 -9.258 579 HA THR 68 HA THR 68 -1.188 -4.229 -9.533 580 HB THR 68 HB THR 68 1.687 -3.773 -8.706 581 HG1 THR 68 1HG THR 68 1.425 -3.024 -10.761 582 HG21 THR 68 3HG2 THR 68 2.079 -6.087 -9.388 583 HG22 THR 68 1HG2 THR 68 0.358 -6.289 -9.723 584 HG23 THR 68 2HG2 THR 68 0.909 -6.022 -8.069 585 H TRP 69 H TRP 69 0.254 -2.624 -6.712 586 HA TRP 69 HA TRP 69 -0.186 -4.759 -4.906 587 HB2 TRP 69 2HB TRP 69 1.256 -2.563 -4.674 588 HB3 TRP 69 1HB TRP 69 -0.226 -1.903 -3.987 589 HD1 TRP 69 HD TRP 69 2.377 -4.667 -3.341 590 HE1 TRP 69 1HE TRP 69 2.313 -5.284 -0.846 591 HE3 TRP 69 3HE TRP 69 -1.630 -1.835 -1.907 592 HZ2 TRP 69 2HZ TRP 69 0.777 -4.650 1.431 593 HZ3 TRP 69 3HZ TRP 69 -2.328 -1.898 0.451 594 HH2 TRP 69 HH TRP 69 -1.148 -3.278 2.085 595 H PHE 70 H PHE 70 -2.075 -1.954 -5.861 596 HA PHE 70 HA PHE 70 -4.272 -2.246 -4.170 597 HB2 PHE 70 2HB PHE 70 -4.390 -0.257 -5.296 598 HB3 PHE 70 1HB PHE 70 -3.739 -0.937 -6.781 599 HD1 PHE 70 1HD PHE 70 -6.829 -0.749 -4.716 600 HD2 PHE 70 2HD PHE 70 -5.127 -1.490 -8.546 601 HE1 PHE 70 1HE PHE 70 -9.081 -0.801 -5.709 602 HE2 PHE 70 2HE PHE 70 -7.371 -1.545 -9.541 603 HZ PHE 70 HZ PHE 70 -9.352 -1.204 -8.126 604 H GLN 71 H GLN 71 -3.639 -3.720 -7.341 605 HA GLN 71 HA GLN 71 -6.188 -4.943 -7.563 606 HB2 GLN 71 2HB GLN 71 -3.577 -5.643 -8.907 607 HB3 GLN 71 1HB GLN 71 -5.148 -6.288 -9.365 608 HG2 GLN 71 2HG GLN 71 -5.902 -3.965 -9.820 609 HG3 GLN 71 1HG GLN 71 -4.256 -3.417 -9.506 610 HE21 GLN 71 1HE2 GLN 71 -6.346 -5.107 -11.683 611 HE22 GLN 71 2HE2 GLN 71 -5.240 -5.199 -13.008 612 H ASN 72 H ASN 72 -3.204 -5.944 -6.074 613 HA ASN 72 HA ASN 72 -3.962 -8.675 -5.702 614 HB2 ASN 72 2HB ASN 72 -1.737 -6.952 -4.661 615 HB3 ASN 72 1HB ASN 72 -2.055 -8.508 -3.904 616 HD21 ASN 72 1HD2 ASN 72 -1.030 -6.887 -6.816 617 HD22 ASN 72 2HD2 ASN 72 -0.337 -8.277 -7.577 618 H GLN 73 H GLN 73 -4.012 -5.744 -3.737 619 HA GLN 73 HA GLN 73 -5.090 -6.876 -1.405 620 HB2 GLN 73 2HB GLN 73 -4.156 -4.557 -1.645 621 HB3 GLN 73 1HB GLN 73 -5.615 -4.108 -2.513 622 HG2 GLN 73 2HG GLN 73 -5.769 -3.374 -0.239 623 HG3 GLN 73 1HG GLN 73 -6.943 -4.658 -0.525 624 HE21 GLN 73 1HE2 GLN 73 -7.067 -5.116 1.669 625 HE22 GLN 73 2HE2 GLN 73 -5.803 -5.945 2.513 626 H ARG 74 H ARG 74 -6.534 -5.795 -4.400 627 HA ARG 74 HA ARG 74 -9.241 -5.984 -3.551 628 HB2 ARG 74 2HB ARG 74 -7.848 -5.100 -5.838 629 HB3 ARG 74 1HB ARG 74 -8.952 -6.349 -6.389 630 HG2 ARG 74 2HG ARG 74 -9.914 -4.124 -4.634 631 HG3 ARG 74 1HG ARG 74 -9.738 -3.900 -6.373 632 HD2 ARG 74 2HD ARG 74 -12.004 -4.506 -5.930 633 HD3 ARG 74 1HD ARG 74 -11.217 -5.870 -6.714 634 HE ARG 74 HE ARG 74 -10.967 -6.515 -4.124 635 HH11 ARG 74 1HH1 ARG 74 -13.721 -5.342 -5.939 636 HH12 ARG 74 2HH1 ARG 74 -14.879 -6.242 -5.001 637 HH21 ARG 74 1HH2 ARG 74 -12.470 -7.682 -2.875 638 HH22 ARG 74 2HH2 ARG 74 -14.167 -7.598 -3.267 639 H MET 75 H MET 75 -7.014 -8.226 -5.201 640 HA MET 75 HA MET 75 -9.120 -10.103 -5.734 641 HB2 MET 75 2HB MET 75 -7.367 -11.643 -6.470 642 HB3 MET 75 1HB MET 75 -7.184 -10.055 -7.190 643 HG2 MET 75 2HG MET 75 -5.025 -10.637 -6.673 644 HG3 MET 75 1HG MET 75 -5.488 -9.634 -5.301 645 HE1 MET 75 3HE MET 75 -3.396 -10.594 -3.964 646 HE2 MET 75 1HE MET 75 -2.970 -11.608 -5.341 647 HE3 MET 75 2HE MET 75 -3.092 -12.316 -3.730 648 H LYS 76 H LYS 76 -7.082 -9.508 -3.021 649 HA LYS 76 HA LYS 76 -7.199 -11.990 -1.715 650 HB2 LYS 76 2HB LYS 76 -7.102 -9.180 -0.613 651 HB3 LYS 76 1HB LYS 76 -6.967 -10.611 0.395 652 HG2 LYS 76 2HG LYS 76 -5.109 -10.036 -1.890 653 HG3 LYS 76 1HG LYS 76 -4.816 -9.486 -0.241 654 HD2 LYS 76 2HD LYS 76 -4.891 -11.825 0.530 655 HD3 LYS 76 1HD LYS 76 -5.136 -12.348 -1.138 656 HE2 LYS 76 2HE LYS 76 -2.793 -12.568 -0.447 657 HE3 LYS 76 1HE LYS 76 -2.987 -11.428 -1.776 658 HZ1 LYS 76 3HZ LYS 76 -2.604 -10.735 1.091 659 HZ2 LYS 76 1HZ LYS 76 -2.893 -9.611 -0.145 660 HZ3 LYS 76 2HZ LYS 76 -1.475 -10.536 -0.159 661 H SER 77 H SER 77 -9.455 -9.272 -1.741 662 HA SER 77 HA SER 77 -11.144 -10.468 0.258 663 HB2 SER 77 2HB SER 77 -12.605 -8.435 -0.306 664 HB3 SER 77 1HB SER 77 -11.011 -8.117 0.375 665 HG SER 77 HG SER 77 -10.944 -6.831 -1.331 666 H LYS 78 H LYS 78 -10.943 -10.559 -3.167 667 HA LYS 78 HA LYS 78 -13.742 -11.192 -3.529 668 HB2 LYS 78 2HB LYS 78 -12.642 -9.944 -5.297 669 HB3 LYS 78 1HB LYS 78 -11.434 -11.212 -5.483 670 HG2 LYS 78 2HG LYS 78 -13.122 -12.756 -6.266 671 HG3 LYS 78 1HG LYS 78 -14.384 -11.557 -5.991 672 HD2 LYS 78 2HD LYS 78 -13.405 -10.113 -7.685 673 HD3 LYS 78 1HD LYS 78 -12.091 -11.265 -7.929 674 HE2 LYS 78 2HE LYS 78 -13.866 -11.435 -9.651 675 HE3 LYS 78 1HE LYS 78 -13.628 -12.929 -8.743 676 HZ1 LYS 78 3HZ LYS 78 -15.780 -10.936 -8.242 677 HZ2 LYS 78 1HZ LYS 78 -15.562 -12.394 -7.402 678 HZ3 LYS 78 2HZ LYS 78 -15.977 -12.419 -9.041 679 H ARG 79 H ARG 79 -10.648 -12.917 -3.536 680 HA ARG 79 HA ARG 79 -12.182 -15.434 -3.552 681 HB2 ARG 79 2HB ARG 79 -9.694 -14.778 -5.133 682 HB3 ARG 79 1HB ARG 79 -10.267 -16.420 -4.880 683 HG2 ARG 79 2HG ARG 79 -12.214 -14.478 -5.966 684 HG3 ARG 79 1HG ARG 79 -10.901 -14.988 -7.029 685 HD2 ARG 79 2HD ARG 79 -12.643 -16.924 -5.519 686 HD3 ARG 79 1HD ARG 79 -13.021 -16.362 -7.148 687 HE ARG 79 HE ARG 79 -10.364 -17.418 -6.899 688 HH11 ARG 79 1HH1 ARG 79 -13.715 -18.326 -7.315 689 HH12 ARG 79 2HH1 ARG 79 -13.343 -19.727 -8.272 690 HH21 ARG 79 1HH2 ARG 79 -9.861 -19.283 -8.113 691 HH22 ARG 79 2HH2 ARG 79 -11.152 -20.278 -8.730 692 H TRP 80 H TRP 80 -8.743 -14.658 -3.389 693 HA TRP 80 HA TRP 80 -8.191 -15.099 -0.741 694 HB2 TRP 80 2HB TRP 80 -7.472 -17.432 -0.629 695 HB3 TRP 80 1HB TRP 80 -9.177 -17.361 -1.042 696 HD1 TRP 80 HD TRP 80 -9.119 -17.151 -4.149 697 HE1 TRP 80 1HE TRP 80 -8.222 -19.096 -5.582 698 HE3 TRP 80 3HE TRP 80 -6.237 -19.484 -0.638 699 HZ2 TRP 80 2HZ TRP 80 -6.533 -21.324 -5.257 700 HZ3 TRP 80 3HZ TRP 80 -5.018 -21.520 -1.276 701 HH2 TRP 80 HH TRP 80 -5.164 -22.422 -3.543 702 H GLN 81 H GLN 81 -5.767 -16.578 -0.988 703 HA GLN 81 HA GLN 81 -4.094 -14.607 -2.094 704 HB2 GLN 81 2HB GLN 81 -3.515 -17.470 -1.343 705 HB3 GLN 81 1HB GLN 81 -2.275 -16.330 -1.848 706 HG2 GLN 81 2HG GLN 81 -2.876 -14.877 0.042 707 HG3 GLN 81 1HG GLN 81 -4.060 -16.078 0.559 708 HE21 GLN 81 1HE2 GLN 81 -3.057 -16.412 2.510 709 HE22 GLN 81 2HE2 GLN 81 -1.549 -17.255 2.658 710 H LYS 82 H LYS 82 -4.714 -14.193 -4.185 711 HA LYS 82 HA LYS 82 -4.212 -14.154 -6.387 712 HB2 LYS 82 2HB LYS 82 -2.645 -16.682 -5.852 713 HB3 LYS 82 1HB LYS 82 -2.581 -15.728 -7.332 714 HG2 LYS 82 2HG LYS 82 -1.594 -13.886 -6.206 715 HG3 LYS 82 1HG LYS 82 -1.894 -14.607 -4.626 716 HD2 LYS 82 2HD LYS 82 -0.346 -16.461 -5.263 717 HD3 LYS 82 1HD LYS 82 0.035 -15.564 -6.735 718 HE2 LYS 82 2HE LYS 82 0.796 -13.669 -5.370 719 HE3 LYS 82 1HE LYS 82 0.438 -14.584 -3.909 720 HZ1 LYS 82 3HZ LYS 82 2.456 -15.279 -5.973 721 HZ2 LYS 82 1HZ LYS 82 2.074 -16.242 -4.629 722 HZ3 LYS 82 2HZ LYS 82 2.766 -14.710 -4.407 723 H ASN 83 H ASN 83 -4.422 -15.673 -8.447 724 HA ASN 83 HA ASN 83 -6.772 -17.395 -8.079 725 HB2 ASN 83 2HB ASN 83 -7.417 -14.977 -8.590 726 HB3 ASN 83 1HB ASN 83 -6.656 -15.197 -10.161 727 HD21 ASN 83 1HD2 ASN 83 -8.489 -14.949 -11.356 728 HD22 ASN 83 2HD2 ASN 83 -9.791 -16.093 -11.348 729 H ASN 84 H ASN 84 -7.349 -17.882 -10.725 730 HA ASN 84 HA ASN 84 -6.731 -18.862 -12.679 731 HB2 ASN 84 2HB ASN 84 -4.899 -17.123 -12.755 732 HB3 ASN 84 1HB ASN 84 -3.847 -18.292 -11.970 733 HD21 ASN 84 1HD2 ASN 84 -3.483 -17.070 -14.505 734 HD22 ASN 84 2HD2 ASN 84 -3.466 -18.329 -15.699 Start of MODEL 11 1 H1 SER 1 H1 SER 1 -9.256 16.161 -4.577 2 H2 SER 1 H2 SER 1 -9.668 15.046 -5.786 3 H3 SER 1 H3 SER 1 -8.290 16.016 -5.962 4 HA SER 1 HA SER 1 -8.657 14.043 -3.801 5 HB2 SER 1 2HB SER 1 -7.139 13.767 -6.408 6 HB3 SER 1 1HB SER 1 -7.096 12.608 -5.078 7 HG SER 1 HG SER 1 -8.971 12.944 -7.038 8 H LYS 2 H LYS 2 -6.956 13.921 -2.385 9 HA LYS 2 HA LYS 2 -5.228 16.205 -2.264 10 HB2 LYS 2 2HB LYS 2 -5.419 13.716 -0.574 11 HB3 LYS 2 1HB LYS 2 -4.269 15.007 -0.258 12 HG2 LYS 2 2HG LYS 2 -7.255 15.370 -0.334 13 HG3 LYS 2 1HG LYS 2 -6.310 15.122 1.136 14 HD2 LYS 2 2HD LYS 2 -5.020 17.164 0.623 15 HD3 LYS 2 1HD LYS 2 -6.014 17.416 -0.813 16 HE2 LYS 2 2HE LYS 2 -8.001 17.625 0.594 17 HE3 LYS 2 1HE LYS 2 -7.023 17.340 2.032 18 HZ1 LYS 2 3HZ LYS 2 -6.669 19.629 0.169 19 HZ2 LYS 2 1HZ LYS 2 -5.836 19.380 1.628 20 HZ3 LYS 2 2HZ LYS 2 -7.500 19.705 1.648 21 H GLN 3 H GLN 3 -2.898 16.087 -2.060 22 HA GLN 3 HA GLN 3 -1.713 14.151 -3.918 23 HB2 GLN 3 2HB GLN 3 -0.832 16.870 -2.953 24 HB3 GLN 3 1HB GLN 3 0.281 15.775 -3.749 25 HG2 GLN 3 2HG GLN 3 -0.619 17.447 -5.278 26 HG3 GLN 3 1HG GLN 3 -1.052 15.809 -5.762 27 HE21 GLN 3 1HE2 GLN 3 -3.156 15.220 -5.829 28 HE22 GLN 3 2HE2 GLN 3 -4.479 16.301 -5.537 29 HA PRO 4 HA PRO 4 -0.506 12.507 0.202 30 HB2 PRO 4 2HB PRO 4 0.049 10.056 -1.330 31 HB3 PRO 4 1HB PRO 4 -1.013 10.296 0.062 32 HG2 PRO 4 2HG PRO 4 -1.992 9.867 -2.402 33 HG3 PRO 4 1HG PRO 4 -2.802 10.939 -1.246 34 HD2 PRO 4 2HD PRO 4 -1.056 11.641 -3.577 35 HD3 PRO 4 1HD PRO 4 -2.560 12.408 -3.027 36 H THR 5 H THR 5 1.362 13.787 0.268 37 HA THR 5 HA THR 5 3.722 12.918 -1.188 38 HB THR 5 HB THR 5 3.457 15.180 0.806 39 HG1 THR 5 1HG THR 5 2.095 15.167 -1.244 40 HG21 THR 5 3HG2 THR 5 5.499 14.598 -1.343 41 HG22 THR 5 1HG2 THR 5 5.768 14.539 0.399 42 HG23 THR 5 2HG2 THR 5 5.429 16.079 -0.392 43 H SER 6 H SER 6 4.952 11.355 -0.372 44 HA SER 6 HA SER 6 4.773 10.663 2.428 45 HB2 SER 6 2HB SER 6 6.438 9.387 0.247 46 HB3 SER 6 1HB SER 6 6.067 8.698 1.829 47 HG SER 6 HG SER 6 3.827 9.454 0.475 48 H ALA 7 H ALA 7 5.718 12.566 3.300 49 HA ALA 7 HA ALA 7 7.383 13.680 4.350 50 HB1 ALA 7 1HB ALA 7 9.141 11.373 3.524 51 HB2 ALA 7 2HB ALA 7 8.150 11.436 4.982 52 HB3 ALA 7 3HB ALA 7 9.490 12.564 4.779 53 H GLU 8 H GLU 8 9.925 14.296 3.895 54 HA GLU 8 HA GLU 8 10.176 14.988 1.054 55 HB2 GLU 8 2HB GLU 8 9.236 16.920 2.334 56 HB3 GLU 8 1HB GLU 8 10.678 16.916 3.336 57 HG2 GLU 8 2HG GLU 8 10.961 17.166 0.380 58 HG3 GLU 8 1HG GLU 8 10.437 18.561 1.318 59 H ASN 9 H ASN 9 11.744 13.446 0.770 60 HA ASN 9 HA ASN 9 14.308 13.999 2.104 61 HB2 ASN 9 2HB ASN 9 13.092 11.324 1.403 62 HB3 ASN 9 1HB ASN 9 14.816 11.519 1.680 63 HD21 ASN 9 1HD2 ASN 9 14.906 10.237 3.468 64 HD22 ASN 9 2HD2 ASN 9 14.170 10.643 4.978 65 H SER 10 H SER 10 16.054 14.175 0.783 66 HA SER 10 HA SER 10 15.544 14.450 -2.033 67 HB2 SER 10 2HB SER 10 18.175 14.646 -0.546 68 HB3 SER 10 1HB SER 10 17.827 15.269 -2.160 69 HG SER 10 HG SER 10 16.051 16.459 -0.903 70 H VAL 11 H VAL 11 15.747 12.934 -3.494 71 HA VAL 11 HA VAL 11 16.372 11.091 -4.641 72 HB VAL 11 HB VAL 11 18.636 10.865 -2.650 73 HG11 VAL 11 1HG1 VAL 11 18.227 9.470 -5.294 74 HG12 VAL 11 2HG1 VAL 11 18.185 8.718 -3.699 75 HG13 VAL 11 3HG1 VAL 11 19.690 9.400 -4.313 76 HG21 VAL 11 3HG2 VAL 11 19.997 11.823 -4.461 77 HG22 VAL 11 1HG2 VAL 11 18.730 12.928 -3.925 78 HG23 VAL 11 2HG2 VAL 11 18.538 12.029 -5.431 79 H ALA 12 H ALA 12 14.810 9.661 -4.456 80 HA ALA 12 HA ALA 12 14.873 7.823 -2.152 81 HB1 ALA 12 1HB ALA 12 12.934 9.303 -1.958 82 HB2 ALA 12 2HB ALA 12 12.441 7.639 -2.266 83 HB3 ALA 12 3HB ALA 12 12.399 8.825 -3.570 84 H LYS 13 H LYS 13 15.884 6.124 -3.080 85 HA LYS 13 HA LYS 13 14.935 5.225 -5.706 86 HB2 LYS 13 2HB LYS 13 17.577 5.454 -4.540 87 HB3 LYS 13 1HB LYS 13 17.277 3.830 -5.145 88 HG2 LYS 13 2HG LYS 13 16.883 6.350 -6.738 89 HG3 LYS 13 1HG LYS 13 18.320 5.327 -6.814 90 HD2 LYS 13 2HD LYS 13 16.975 3.458 -7.597 91 HD3 LYS 13 1HD LYS 13 15.507 4.427 -7.440 92 HE2 LYS 13 2HE LYS 13 16.302 4.284 -9.766 93 HE3 LYS 13 1HE LYS 13 16.273 5.938 -9.160 94 HZ1 LYS 13 3HZ LYS 13 18.291 5.373 -10.439 95 HZ2 LYS 13 1HZ LYS 13 18.716 4.243 -9.246 96 HZ3 LYS 13 2HZ LYS 13 18.628 5.893 -8.864 97 H LYS 14 H LYS 14 13.231 3.996 -5.149 98 HA LYS 14 HA LYS 14 12.132 2.075 -4.716 99 HB2 LYS 14 2HB LYS 14 14.927 0.932 -4.623 100 HB3 LYS 14 1HB LYS 14 13.451 -0.023 -4.699 101 HG2 LYS 14 2HG LYS 14 14.335 1.964 -6.792 102 HG3 LYS 14 1HG LYS 14 14.554 0.214 -6.890 103 HD2 LYS 14 2HD LYS 14 11.806 1.147 -6.340 104 HD3 LYS 14 1HD LYS 14 12.443 1.531 -7.938 105 HE2 LYS 14 2HE LYS 14 11.210 -0.606 -7.883 106 HE3 LYS 14 1HE LYS 14 12.888 -0.796 -8.378 107 HZ1 LYS 14 3HZ LYS 14 13.451 -1.678 -6.270 108 HZ2 LYS 14 1HZ LYS 14 12.049 -2.488 -6.774 109 HZ3 LYS 14 2HZ LYS 14 11.945 -1.267 -5.600 110 H GLU 15 H GLU 15 12.536 -0.075 -3.128 111 HA GLU 15 HA GLU 15 11.821 0.866 -0.582 112 HB2 GLU 15 2HB GLU 15 12.940 -1.894 -1.058 113 HB3 GLU 15 1HB GLU 15 11.719 -1.402 0.104 114 HG2 GLU 15 2HG GLU 15 10.529 -2.563 -1.509 115 HG3 GLU 15 1HG GLU 15 10.268 -0.873 -1.939 116 H ASP 16 H ASP 16 14.835 -0.541 -1.795 117 HA ASP 16 HA ASP 16 17.000 -0.399 -1.115 118 HB2 ASP 16 2HB ASP 16 16.419 2.035 -0.656 119 HB3 ASP 16 1HB ASP 16 16.152 1.569 1.022 120 H LYS 17 H LYS 17 14.531 -1.616 0.500 121 HA LYS 17 HA LYS 17 14.220 -3.231 2.025 122 HB2 LYS 17 2HB LYS 17 17.225 -3.508 1.899 123 HB3 LYS 17 1HB LYS 17 16.142 -4.643 2.699 124 HG2 LYS 17 2HG LYS 17 16.294 -4.013 -0.241 125 HG3 LYS 17 1HG LYS 17 16.668 -5.541 0.560 126 HD2 LYS 17 2HD LYS 17 14.349 -5.843 1.160 127 HD3 LYS 17 1HD LYS 17 13.939 -4.253 0.516 128 HE2 LYS 17 2HE LYS 17 13.269 -5.833 -1.113 129 HE3 LYS 17 1HE LYS 17 14.741 -5.079 -1.724 130 HZ1 LYS 17 3HZ LYS 17 14.727 -7.489 -2.030 131 HZ2 LYS 17 1HZ LYS 17 14.612 -7.711 -0.353 132 HZ3 LYS 17 2HZ LYS 17 16.003 -7.001 -1.019 133 H VAL 18 H VAL 18 15.463 -3.997 4.331 134 HA VAL 18 HA VAL 18 15.188 -1.517 5.898 135 HB VAL 18 HB VAL 18 14.402 -4.275 6.836 136 HG11 VAL 18 1HG1 VAL 18 14.835 -2.678 8.605 137 HG12 VAL 18 2HG1 VAL 18 13.111 -3.035 8.508 138 HG13 VAL 18 3HG1 VAL 18 13.734 -1.521 7.855 139 HG21 VAL 18 3HG2 VAL 18 12.637 -2.157 5.611 140 HG22 VAL 18 1HG2 VAL 18 12.076 -3.641 6.382 141 HG23 VAL 18 2HG2 VAL 18 13.036 -3.724 4.904 142 HA PRO 19 HA PRO 19 19.397 -3.125 6.773 143 HB2 PRO 19 2HB PRO 19 20.047 -0.326 7.293 144 HB3 PRO 19 1HB PRO 19 20.705 -1.415 6.069 145 HG2 PRO 19 2HG PRO 19 19.102 0.674 5.449 146 HG3 PRO 19 1HG PRO 19 19.121 -0.829 4.508 147 HD2 PRO 19 2HD PRO 19 17.171 0.076 6.597 148 HD3 PRO 19 1HD PRO 19 16.864 -0.721 5.038 149 H VAL 20 H VAL 20 20.015 -3.842 8.652 150 HA VAL 20 HA VAL 20 20.509 -4.086 10.827 151 HB VAL 20 HB VAL 20 20.387 -1.087 10.878 152 HG11 VAL 20 1HG1 VAL 20 20.370 -2.015 13.128 153 HG12 VAL 20 2HG1 VAL 20 21.928 -1.265 12.788 154 HG13 VAL 20 3HG1 VAL 20 21.767 -3.020 12.738 155 HG21 VAL 20 3HG2 VAL 20 22.812 -1.197 10.512 156 HG22 VAL 20 1HG2 VAL 20 21.903 -1.886 9.168 157 HG23 VAL 20 2HG2 VAL 20 22.690 -2.947 10.336 158 H LYS 21 H LYS 21 18.252 -4.974 10.811 159 HA LYS 21 HA LYS 21 16.874 -3.742 13.088 160 HB2 LYS 21 2HB LYS 21 15.670 -4.655 10.518 161 HB3 LYS 21 1HB LYS 21 14.785 -5.017 11.993 162 HG2 LYS 21 2HG LYS 21 13.935 -2.974 11.143 163 HG3 LYS 21 1HG LYS 21 14.905 -2.580 12.563 164 HD2 LYS 21 2HD LYS 21 16.808 -2.099 10.977 165 HD3 LYS 21 1HD LYS 21 15.641 -2.240 9.663 166 HE2 LYS 21 2HE LYS 21 14.323 -0.428 10.646 167 HE3 LYS 21 1HE LYS 21 15.494 -0.287 11.958 168 HZ1 LYS 21 3HZ LYS 21 17.191 0.141 10.160 169 HZ2 LYS 21 1HZ LYS 21 16.047 1.373 10.401 170 HZ3 LYS 21 2HZ LYS 21 15.894 0.321 9.084 171 H LYS 22 H LYS 22 15.080 -5.754 13.644 172 HA LYS 22 HA LYS 22 16.832 -7.551 14.974 173 HB2 LYS 22 2HB LYS 22 13.820 -7.611 14.764 174 HB3 LYS 22 1HB LYS 22 14.782 -8.557 15.891 175 HG2 LYS 22 2HG LYS 22 15.654 -6.400 16.811 176 HG3 LYS 22 1HG LYS 22 14.453 -5.575 15.818 177 HD2 LYS 22 2HD LYS 22 12.668 -6.794 16.956 178 HD3 LYS 22 1HD LYS 22 13.867 -7.642 17.936 179 HE2 LYS 22 2HE LYS 22 14.650 -5.367 18.704 180 HE3 LYS 22 1HE LYS 22 13.204 -4.710 17.941 181 HZ1 LYS 22 3HZ LYS 22 13.230 -6.766 20.088 182 HZ2 LYS 22 1HZ LYS 22 11.851 -6.072 19.390 183 HZ3 LYS 22 2HZ LYS 22 12.902 -5.119 20.313 184 H GLN 23 H GLN 23 13.990 -8.610 13.109 185 HA GLN 23 HA GLN 23 15.587 -10.270 11.385 186 HB2 GLN 23 2HB GLN 23 15.532 -11.615 13.465 187 HB3 GLN 23 1HB GLN 23 13.775 -11.578 13.426 188 HG2 GLN 23 2HG GLN 23 14.542 -13.690 12.600 189 HG3 GLN 23 1HG GLN 23 13.830 -12.776 11.272 190 HE21 GLN 23 1HE2 GLN 23 14.935 -13.959 9.723 191 HE22 GLN 23 2HE2 GLN 23 16.637 -13.765 9.457 192 H LYS 24 H LYS 24 14.583 -9.628 9.578 193 HA LYS 24 HA LYS 24 11.760 -10.314 9.309 194 HB2 LYS 24 2HB LYS 24 12.945 -7.629 8.565 195 HB3 LYS 24 1HB LYS 24 11.388 -8.197 7.973 196 HG2 LYS 24 2HG LYS 24 10.616 -8.402 10.314 197 HG3 LYS 24 1HG LYS 24 12.153 -7.730 10.848 198 HD2 LYS 24 2HD LYS 24 11.674 -5.647 9.692 199 HD3 LYS 24 1HD LYS 24 10.166 -6.321 9.065 200 HE2 LYS 24 2HE LYS 24 9.348 -6.598 11.364 201 HE3 LYS 24 1HE LYS 24 10.848 -5.906 11.974 202 HZ1 LYS 24 3HZ LYS 24 8.839 -4.507 10.285 203 HZ2 LYS 24 1HZ LYS 24 10.299 -3.839 10.831 204 HZ3 LYS 24 2HZ LYS 24 9.099 -4.263 11.943 205 H THR 25 H THR 25 11.139 -10.168 6.894 206 HA THR 25 HA THR 25 12.822 -12.154 5.736 207 HB THR 25 HB THR 25 11.038 -12.016 3.876 208 HG1 THR 25 1HG THR 25 9.861 -10.248 4.154 209 HG21 THR 25 3HG2 THR 25 11.128 -13.766 5.592 210 HG22 THR 25 1HG2 THR 25 9.464 -13.303 5.235 211 HG23 THR 25 2HG2 THR 25 10.245 -12.722 6.704 212 H ARG 26 H ARG 26 12.707 -11.960 3.101 213 HA ARG 26 HA ARG 26 14.900 -10.206 2.583 214 HB2 ARG 26 2HB ARG 26 13.302 -11.874 0.628 215 HB3 ARG 26 1HB ARG 26 14.869 -11.141 0.321 216 HG2 ARG 26 2HG ARG 26 15.434 -13.329 0.753 217 HG3 ARG 26 1HG ARG 26 15.652 -12.578 2.336 218 HD2 ARG 26 2HD ARG 26 13.313 -13.310 2.887 219 HD3 ARG 26 1HD ARG 26 13.325 -14.240 1.388 220 HE ARG 26 HE ARG 26 15.510 -14.751 3.236 221 HH11 ARG 26 1HH1 ARG 26 12.352 -15.730 2.066 222 HH12 ARG 26 2HH1 ARG 26 12.476 -17.342 2.705 223 HH21 ARG 26 1HH2 ARG 26 15.673 -16.869 4.072 224 HH22 ARG 26 2HH2 ARG 26 14.352 -17.981 3.865 225 H THR 27 H THR 27 11.494 -10.298 1.707 226 HA THR 27 HA THR 27 11.759 -7.482 0.925 227 HB THR 27 HB THR 27 9.766 -7.917 -0.614 228 HG1 THR 27 1HG THR 27 10.065 -10.211 -1.488 229 HG21 THR 27 3HG2 THR 27 11.234 -8.531 -2.476 230 HG22 THR 27 1HG2 THR 27 12.473 -9.050 -1.331 231 HG23 THR 27 2HG2 THR 27 12.005 -7.351 -1.415 232 H VAL 28 H VAL 28 10.314 -6.122 1.656 233 HA VAL 28 HA VAL 28 7.842 -6.897 2.908 234 HB VAL 28 HB VAL 28 8.435 -5.608 5.039 235 HG11 VAL 28 1HG1 VAL 28 8.094 -8.008 5.069 236 HG12 VAL 28 2HG1 VAL 28 9.399 -7.557 6.163 237 HG13 VAL 28 3HG1 VAL 28 9.770 -8.271 4.593 238 HG21 VAL 28 3HG2 VAL 28 10.807 -5.629 5.701 239 HG22 VAL 28 1HG2 VAL 28 10.508 -4.606 4.296 240 HG23 VAL 28 2HG2 VAL 28 11.235 -6.198 4.088 241 H PHE 29 H PHE 29 6.755 -4.843 3.772 242 HA PHE 29 HA PHE 29 7.482 -2.575 2.077 243 HB2 PHE 29 2HB PHE 29 4.929 -3.329 3.494 244 HB3 PHE 29 1HB PHE 29 5.199 -1.717 2.847 245 HD1 PHE 29 1HD PHE 29 5.363 -1.343 0.446 246 HD2 PHE 29 2HD PHE 29 4.527 -5.202 2.046 247 HE1 PHE 29 1HE PHE 29 4.615 -2.102 -1.776 248 HE2 PHE 29 2HE PHE 29 3.784 -5.964 -0.170 249 HZ PHE 29 HZ PHE 29 3.825 -4.412 -2.085 250 H SER 30 H SER 30 7.819 -0.534 2.961 251 HA SER 30 HA SER 30 9.069 -0.562 5.514 252 HB2 SER 30 2HB SER 30 9.804 0.910 3.658 253 HB3 SER 30 1HB SER 30 8.298 1.820 3.807 254 HG SER 30 HG SER 30 10.353 2.540 4.965 255 H SER 31 H SER 31 8.504 0.728 7.347 256 HA SER 31 HA SER 31 5.869 0.329 8.217 257 HB2 SER 31 2HB SER 31 7.923 0.553 9.666 258 HB3 SER 31 1HB SER 31 7.871 2.290 9.373 259 HG SER 31 HG SER 31 5.792 0.740 10.548 260 H THR 32 H THR 32 7.517 3.119 6.855 261 HA THR 32 HA THR 32 5.447 5.002 7.307 262 HB THR 32 HB THR 32 6.656 6.278 5.448 263 HG1 THR 32 1HG THR 32 8.889 5.246 5.225 264 HG21 THR 32 3HG2 THR 32 8.611 6.752 6.883 265 HG22 THR 32 1HG2 THR 32 8.225 5.329 7.851 266 HG23 THR 32 2HG2 THR 32 7.109 6.693 7.807 267 H GLN 33 H GLN 33 6.343 2.994 4.526 268 HA GLN 33 HA GLN 33 4.411 3.922 2.728 269 HB2 GLN 33 2HB GLN 33 5.645 1.170 2.951 270 HB3 GLN 33 1HB GLN 33 4.751 1.766 1.559 271 HG2 GLN 33 2HG GLN 33 6.418 3.419 1.110 272 HG3 GLN 33 1HG GLN 33 7.263 3.045 2.611 273 HE21 GLN 33 1HE2 GLN 33 8.247 2.989 -0.135 274 HE22 GLN 33 2HE2 GLN 33 8.826 1.383 -0.397 275 H LEU 34 H LEU 34 4.316 1.139 4.942 276 HA LEU 34 HA LEU 34 1.714 0.292 4.367 277 HB2 LEU 34 2HB LEU 34 3.338 0.100 6.896 278 HB3 LEU 34 1HB LEU 34 1.779 -0.679 6.699 279 HG LEU 34 HG LEU 34 4.223 -1.227 5.008 280 HD11 LEU 34 1HD1 LEU 34 2.943 -2.847 7.205 281 HD12 LEU 34 2HD1 LEU 34 4.505 -2.032 7.286 282 HD13 LEU 34 3HD1 LEU 34 4.271 -3.380 6.172 283 HD21 LEU 34 3HD2 LEU 34 2.922 -3.080 4.118 284 HD22 LEU 34 1HD2 LEU 34 2.107 -1.547 3.809 285 HD23 LEU 34 2HD2 LEU 34 1.540 -2.604 5.102 286 H CYS 35 H CYS 35 2.879 2.697 6.682 287 HA CYS 35 HA CYS 35 0.432 3.201 7.952 288 HB2 CYS 35 2HB CYS 35 2.604 3.988 8.813 289 HB3 CYS 35 1HB CYS 35 2.722 5.115 7.468 290 HG CYS 35 HG CYS 35 0.121 6.272 8.396 291 H VAL 36 H VAL 36 1.974 4.871 5.212 292 HA VAL 36 HA VAL 36 -0.027 6.784 4.797 293 HB VAL 36 HB VAL 36 1.846 5.552 2.768 294 HG11 VAL 36 1HG1 VAL 36 0.254 8.110 2.604 295 HG12 VAL 36 2HG1 VAL 36 -0.026 6.646 1.660 296 HG13 VAL 36 3HG1 VAL 36 1.459 7.571 1.433 297 HG21 VAL 36 3HG2 VAL 36 3.223 7.540 3.146 298 HG22 VAL 36 1HG2 VAL 36 3.024 6.597 4.623 299 HG23 VAL 36 2HG2 VAL 36 2.098 8.079 4.392 300 H LEU 37 H LEU 37 0.455 3.596 3.322 301 HA LEU 37 HA LEU 37 -1.754 3.583 1.630 302 HB2 LEU 37 2HB LEU 37 -0.440 1.321 3.130 303 HB3 LEU 37 1HB LEU 37 -1.656 1.087 1.892 304 HG LEU 37 HG LEU 37 1.014 2.421 1.426 305 HD11 LEU 37 1HD1 LEU 37 1.635 0.354 0.275 306 HD12 LEU 37 2HD1 LEU 37 0.113 -0.383 0.774 307 HD13 LEU 37 3HD1 LEU 37 1.310 0.070 1.985 308 HD21 LEU 37 3HD2 LEU 37 0.449 2.139 -0.942 309 HD22 LEU 37 1HD2 LEU 37 -0.725 3.161 -0.111 310 HD23 LEU 37 2HD2 LEU 37 -1.125 1.485 -0.485 311 H ASN 38 H ASN 38 -1.496 2.425 4.988 312 HA ASN 38 HA ASN 38 -4.197 1.536 5.078 313 HB2 ASN 38 2HB ASN 38 -2.392 0.616 6.510 314 HB3 ASN 38 1HB ASN 38 -2.342 2.140 7.390 315 HD21 ASN 38 1HD2 ASN 38 -3.923 2.599 8.870 316 HD22 ASN 38 2HD2 ASN 38 -5.119 1.451 9.371 317 H ASP 39 H ASP 39 -2.617 4.560 5.923 318 HA ASP 39 HA ASP 39 -4.643 5.697 7.471 319 HB2 ASP 39 2HB ASP 39 -2.453 6.842 5.787 320 HB3 ASP 39 1HB ASP 39 -3.708 7.921 6.387 321 H ARG 40 H ARG 40 -4.118 6.141 3.942 322 HA ARG 40 HA ARG 40 -6.641 7.491 3.771 323 HB2 ARG 40 2HB ARG 40 -6.101 7.184 1.191 324 HB3 ARG 40 1HB ARG 40 -5.371 8.436 2.182 325 HG2 ARG 40 2HG ARG 40 -3.550 7.619 1.091 326 HG3 ARG 40 1HG ARG 40 -3.517 6.648 2.563 327 HD2 ARG 40 2HD ARG 40 -4.519 4.794 1.431 328 HD3 ARG 40 1HD ARG 40 -4.792 5.769 -0.009 329 HE ARG 40 HE ARG 40 -2.318 4.539 0.825 330 HH11 ARG 40 1HH1 ARG 40 -3.811 6.969 -1.217 331 HH12 ARG 40 2HH1 ARG 40 -2.447 7.090 -2.282 332 HH21 ARG 40 1HH2 ARG 40 -0.526 4.689 -0.580 333 HH22 ARG 40 2HH2 ARG 40 -0.572 5.790 -1.915 334 H PHE 41 H PHE 41 -5.613 4.200 3.334 335 HA PHE 41 HA PHE 41 -7.973 3.291 2.049 336 HB2 PHE 41 2HB PHE 41 -5.808 1.965 3.632 337 HB3 PHE 41 1HB PHE 41 -7.286 1.071 3.275 338 HD1 PHE 41 1HD PHE 41 -7.898 2.214 0.611 339 HD2 PHE 41 2HD PHE 41 -4.240 0.840 2.284 340 HE1 PHE 41 1HE PHE 41 -7.078 1.698 -1.628 341 HE2 PHE 41 2HE PHE 41 -3.405 0.314 0.029 342 HZ PHE 41 HZ PHE 41 -4.824 0.744 -1.936 343 H GLN 42 H GLN 42 -7.316 4.300 5.268 344 HA GLN 42 HA GLN 42 -9.717 2.991 6.305 345 HB2 GLN 42 2HB GLN 42 -7.320 3.391 7.466 346 HB3 GLN 42 1HB GLN 42 -8.136 4.859 7.989 347 HG2 GLN 42 2HG GLN 42 -9.284 2.113 8.407 348 HG3 GLN 42 1HG GLN 42 -8.224 2.901 9.570 349 HE21 GLN 42 1HE2 GLN 42 -11.370 2.880 8.110 350 HE22 GLN 42 2HE2 GLN 42 -12.115 3.973 9.218 351 H ARG 43 H ARG 43 -8.375 6.244 5.811 352 HA ARG 43 HA ARG 43 -10.718 7.579 6.748 353 HB2 ARG 43 2HB ARG 43 -8.316 8.545 5.200 354 HB3 ARG 43 1HB ARG 43 -9.602 9.609 5.757 355 HG2 ARG 43 2HG ARG 43 -7.975 7.840 7.568 356 HG3 ARG 43 1HG ARG 43 -7.617 9.538 7.253 357 HD2 ARG 43 2HD ARG 43 -9.570 10.265 8.304 358 HD3 ARG 43 1HD ARG 43 -10.321 8.673 8.207 359 HE ARG 43 HE ARG 43 -7.948 8.865 9.868 360 HH11 ARG 43 1HH1 ARG 43 -11.444 8.986 9.714 361 HH12 ARG 43 2HH1 ARG 43 -11.658 8.551 11.385 362 HH21 ARG 43 1HH2 ARG 43 -8.221 8.295 12.066 363 HH22 ARG 43 2HH2 ARG 43 -9.835 8.157 12.721 364 H GLN 44 H GLN 44 -9.750 6.292 3.696 365 HA GLN 44 HA GLN 44 -12.277 7.275 2.571 366 HB2 GLN 44 2HB GLN 44 -9.619 7.030 1.157 367 HB3 GLN 44 1HB GLN 44 -11.151 7.212 0.313 368 HG2 GLN 44 2HG GLN 44 -11.501 9.349 1.544 369 HG3 GLN 44 1HG GLN 44 -9.873 9.174 2.198 370 HE21 GLN 44 1HE2 GLN 44 -9.174 11.067 1.215 371 HE22 GLN 44 2HE2 GLN 44 -8.898 11.181 -0.488 372 H LYS 45 H LYS 45 -12.537 5.786 0.357 373 HA LYS 45 HA LYS 45 -12.977 3.184 1.539 374 HB2 LYS 45 2HB LYS 45 -13.615 4.093 -1.269 375 HB3 LYS 45 1HB LYS 45 -14.305 2.722 -0.411 376 HG2 LYS 45 2HG LYS 45 -15.387 4.246 1.162 377 HG3 LYS 45 1HG LYS 45 -14.694 5.621 0.301 378 HD2 LYS 45 2HD LYS 45 -15.886 4.884 -1.741 379 HD3 LYS 45 1HD LYS 45 -16.647 3.606 -0.796 380 HE2 LYS 45 2HE LYS 45 -17.595 5.348 0.699 381 HE3 LYS 45 1HE LYS 45 -16.925 6.575 -0.378 382 HZ1 LYS 45 3HZ LYS 45 -18.263 5.565 -2.183 383 HZ2 LYS 45 1HZ LYS 45 -19.198 6.237 -0.935 384 HZ3 LYS 45 2HZ LYS 45 -18.996 4.558 -1.037 385 H TYR 46 H TYR 46 -11.327 4.446 -1.349 386 HA TYR 46 HA TYR 46 -9.366 2.314 -1.217 387 HB2 TYR 46 2HB TYR 46 -11.257 2.587 -3.567 388 HB3 TYR 46 1HB TYR 46 -9.749 1.685 -3.628 389 HD1 TYR 46 2HD TYR 46 -9.488 -0.179 -1.791 390 HD2 TYR 46 1HD TYR 46 -13.211 1.469 -3.029 391 HE1 TYR 46 2HE TYR 46 -10.642 -2.171 -0.945 392 HE2 TYR 46 1HE TYR 46 -14.377 -0.524 -2.182 393 HH TYR 46 HH TYR 46 -13.001 -2.706 -0.110 394 H LEU 47 H LEU 47 -8.034 2.547 -3.463 395 HA LEU 47 HA LEU 47 -6.966 5.196 -3.443 396 HB2 LEU 47 2HB LEU 47 -6.423 2.874 -5.298 397 HB3 LEU 47 1HB LEU 47 -5.524 4.377 -5.292 398 HG LEU 47 HG LEU 47 -5.671 2.454 -2.982 399 HD11 LEU 47 1HD1 LEU 47 -3.345 1.929 -3.542 400 HD12 LEU 47 2HD1 LEU 47 -3.461 2.956 -4.972 401 HD13 LEU 47 3HD1 LEU 47 -4.441 1.495 -4.852 402 HD21 LEU 47 3HD2 LEU 47 -3.999 4.920 -3.419 403 HD22 LEU 47 1HD2 LEU 47 -3.863 3.811 -2.054 404 HD23 LEU 47 2HD2 LEU 47 -5.335 4.755 -2.278 405 H SER 48 H SER 48 -7.663 6.847 -4.563 406 HA SER 48 HA SER 48 -9.686 6.592 -6.554 407 HB2 SER 48 2HB SER 48 -9.608 8.537 -5.044 408 HB3 SER 48 1HB SER 48 -8.034 8.987 -5.693 409 HG SER 48 HG SER 48 -10.069 10.032 -6.554 410 H LEU 49 H LEU 49 -9.287 7.866 -8.650 411 HA LEU 49 HA LEU 49 -7.339 6.445 -10.146 412 HB2 LEU 49 2HB LEU 49 -9.586 7.487 -10.910 413 HB3 LEU 49 1HB LEU 49 -8.687 8.982 -11.058 414 HG LEU 49 HG LEU 49 -8.993 7.729 -13.201 415 HD11 LEU 49 1HD1 LEU 49 -6.153 8.145 -12.284 416 HD12 LEU 49 2HD1 LEU 49 -7.209 9.347 -13.026 417 HD13 LEU 49 3HD1 LEU 49 -6.664 7.955 -13.961 418 HD21 LEU 49 3HD2 LEU 49 -7.123 5.755 -11.900 419 HD22 LEU 49 1HD2 LEU 49 -7.595 5.756 -13.600 420 HD23 LEU 49 2HD2 LEU 49 -8.805 5.467 -12.349 421 H GLN 50 H GLN 50 -7.563 9.730 -8.880 422 HA GLN 50 HA GLN 50 -5.061 10.573 -9.943 423 HB2 GLN 50 2HB GLN 50 -7.174 11.854 -8.738 424 HB3 GLN 50 1HB GLN 50 -5.924 11.931 -7.499 425 HG2 GLN 50 2HG GLN 50 -4.386 12.868 -9.230 426 HG3 GLN 50 1HG GLN 50 -5.769 12.953 -10.321 427 HE21 GLN 50 1HE2 GLN 50 -4.168 14.340 -7.618 428 HE22 GLN 50 2HE2 GLN 50 -5.222 15.705 -7.431 429 H GLN 51 H GLN 51 -6.094 9.146 -6.875 430 HA GLN 51 HA GLN 51 -3.784 9.675 -5.402 431 HB2 GLN 51 2HB GLN 51 -5.865 7.526 -5.169 432 HB3 GLN 51 1HB GLN 51 -4.485 7.583 -4.091 433 HG2 GLN 51 2HG GLN 51 -5.200 9.979 -3.583 434 HG3 GLN 51 1HG GLN 51 -6.725 9.544 -4.357 435 HE21 GLN 51 1HE2 GLN 51 -7.925 9.706 -2.484 436 HE22 GLN 51 2HE2 GLN 51 -7.796 8.568 -1.191 437 H MET 52 H MET 52 -4.595 6.865 -7.426 438 HA MET 52 HA MET 52 -2.291 5.400 -6.676 439 HB2 MET 52 2HB MET 52 -2.817 3.951 -8.615 440 HB3 MET 52 1HB MET 52 -4.202 4.236 -7.576 441 HG2 MET 52 2HG MET 52 -5.024 5.919 -9.164 442 HG3 MET 52 1HG MET 52 -3.651 5.573 -10.215 443 HE1 MET 52 3HE MET 52 -5.745 3.024 -8.061 444 HE2 MET 52 1HE MET 52 -6.970 2.517 -9.224 445 HE3 MET 52 2HE MET 52 -6.957 4.175 -8.623 446 H GLN 53 H GLN 53 -2.935 7.542 -9.452 447 HA GLN 53 HA GLN 53 -0.350 7.076 -10.591 448 HB2 GLN 53 2HB GLN 53 -0.886 8.945 -12.108 449 HB3 GLN 53 1HB GLN 53 -2.194 7.773 -12.026 450 HG2 GLN 53 2HG GLN 53 -3.413 9.236 -10.499 451 HG3 GLN 53 1HG GLN 53 -2.105 10.414 -10.587 452 HE21 GLN 53 1HE2 GLN 53 -3.204 8.541 -13.314 453 HE22 GLN 53 2HE2 GLN 53 -3.898 9.856 -14.190 454 H GLU 54 H GLU 54 -1.747 9.444 -8.420 455 HA GLU 54 HA GLU 54 0.373 11.293 -8.362 456 HB2 GLU 54 2HB GLU 54 -2.087 11.284 -7.317 457 HB3 GLU 54 1HB GLU 54 -1.211 10.747 -5.893 458 HG2 GLU 54 2HG GLU 54 -1.264 13.016 -5.583 459 HG3 GLU 54 1HG GLU 54 0.300 12.799 -6.368 460 H LEU 55 H LEU 55 -0.452 8.598 -6.188 461 HA LEU 55 HA LEU 55 1.713 8.926 -4.448 462 HB2 LEU 55 2HB LEU 55 -0.408 7.539 -4.116 463 HB3 LEU 55 1HB LEU 55 0.383 6.290 -5.052 464 HG LEU 55 HG LEU 55 0.441 6.071 -2.514 465 HD11 LEU 55 1HD1 LEU 55 1.852 4.729 -3.966 466 HD12 LEU 55 2HD1 LEU 55 2.717 5.189 -2.499 467 HD13 LEU 55 3HD1 LEU 55 3.051 6.022 -4.017 468 HD21 LEU 55 3HD2 LEU 55 2.489 8.255 -2.840 469 HD22 LEU 55 1HD2 LEU 55 2.235 7.301 -1.379 470 HD23 LEU 55 2HD2 LEU 55 0.961 8.367 -1.969 471 H SER 56 H SER 56 1.336 6.892 -7.304 472 HA SER 56 HA SER 56 3.773 5.630 -7.324 473 HB2 SER 56 2HB SER 56 2.038 5.114 -8.943 474 HB3 SER 56 1HB SER 56 2.175 6.723 -9.649 475 HG SER 56 HG SER 56 4.587 5.725 -9.736 476 H ASN 57 H ASN 57 3.013 8.802 -8.759 477 HA ASN 57 HA ASN 57 5.636 9.256 -9.717 478 HB2 ASN 57 2HB ASN 57 3.660 10.401 -10.632 479 HB3 ASN 57 1HB ASN 57 3.446 11.255 -9.110 480 HD21 ASN 57 1HD2 ASN 57 4.752 12.990 -8.630 481 HD22 ASN 57 2HD2 ASN 57 5.829 13.701 -9.778 482 H ILE 58 H ILE 58 4.046 9.970 -6.668 483 HA ILE 58 HA ILE 58 6.122 11.775 -5.807 484 HB ILE 58 HB ILE 58 3.912 10.549 -4.151 485 HG12 ILE 58 2HG1 ILE 58 4.029 13.062 -5.818 486 HG13 ILE 58 1HG1 ILE 58 2.907 11.723 -5.975 487 HG21 ILE 58 1HG2 ILE 58 4.282 12.508 -2.693 488 HG22 ILE 58 2HG2 ILE 58 5.659 12.972 -3.693 489 HG23 ILE 58 3HG2 ILE 58 5.696 11.459 -2.785 490 HD11 ILE 58 3HD1 ILE 58 1.840 13.665 -4.983 491 HD12 ILE 58 1HD1 ILE 58 3.014 13.646 -3.666 492 HD13 ILE 58 2HD1 ILE 58 1.877 12.310 -3.854 493 H LEU 59 H LEU 59 5.303 8.378 -5.242 494 HA LEU 59 HA LEU 59 7.357 8.172 -3.192 495 HB2 LEU 59 2HB LEU 59 5.144 6.966 -3.069 496 HB3 LEU 59 1HB LEU 59 5.702 5.949 -4.382 497 HG LEU 59 HG LEU 59 7.558 5.154 -2.967 498 HD11 LEU 59 1HD1 LEU 59 7.849 7.084 -1.536 499 HD12 LEU 59 2HD1 LEU 59 7.521 5.656 -0.554 500 HD13 LEU 59 3HD1 LEU 59 6.247 6.842 -0.840 501 HD21 LEU 59 3HD2 LEU 59 5.484 3.894 -3.044 502 HD22 LEU 59 1HD2 LEU 59 4.825 4.869 -1.732 503 HD23 LEU 59 2HD2 LEU 59 6.203 3.809 -1.436 504 H ASN 60 H ASN 60 7.426 8.323 -6.415 505 HA ASN 60 HA ASN 60 8.951 7.879 -8.013 506 HB2 ASN 60 2HB ASN 60 10.605 7.026 -5.635 507 HB3 ASN 60 1HB ASN 60 11.216 7.076 -7.281 508 HD21 ASN 60 1HD2 ASN 60 10.208 8.944 -4.545 509 HD22 ASN 60 2HD2 ASN 60 10.794 10.464 -5.115 510 H LEU 61 H LEU 61 6.955 5.942 -7.293 511 HA LEU 61 HA LEU 61 8.287 3.435 -8.079 512 HB2 LEU 61 2HB LEU 61 5.945 4.038 -6.375 513 HB3 LEU 61 1HB LEU 61 5.775 2.658 -7.441 514 HG LEU 61 HG LEU 61 7.819 1.668 -6.447 515 HD11 LEU 61 1HD1 LEU 61 8.707 2.582 -4.371 516 HD12 LEU 61 2HD1 LEU 61 7.646 3.983 -4.531 517 HD13 LEU 61 3HD1 LEU 61 8.922 3.704 -5.715 518 HD21 LEU 61 3HD2 LEU 61 6.802 1.048 -4.321 519 HD22 LEU 61 1HD2 LEU 61 5.616 1.044 -5.626 520 HD23 LEU 61 2HD2 LEU 61 5.657 2.379 -4.474 521 H SER 62 H SER 62 6.390 2.022 -9.230 522 HA SER 62 HA SER 62 5.823 3.574 -11.643 523 HB2 SER 62 2HB SER 62 7.151 1.613 -12.042 524 HB3 SER 62 1HB SER 62 6.031 0.604 -11.130 525 HG SER 62 HG SER 62 5.414 1.987 -13.545 526 H TYR 63 H TYR 63 3.801 3.681 -12.550 527 HA TYR 63 HA TYR 63 1.546 3.578 -10.881 528 HB2 TYR 63 2HB TYR 63 1.556 5.055 -12.781 529 HB3 TYR 63 1HB TYR 63 1.808 3.716 -13.892 530 HD1 TYR 63 2HD TYR 63 -0.680 5.095 -11.470 531 HD2 TYR 63 1HD TYR 63 -0.016 2.699 -14.925 532 HE1 TYR 63 2HE TYR 63 -3.114 4.908 -11.806 533 HE2 TYR 63 1HE TYR 63 -2.439 2.512 -15.266 534 HH TYR 63 HH TYR 63 -4.698 4.434 -13.537 535 H LYS 64 H LYS 64 3.000 1.258 -13.023 536 HA LYS 64 HA LYS 64 0.888 -0.601 -13.142 537 HB2 LYS 64 2HB LYS 64 3.885 -0.955 -13.358 538 HB3 LYS 64 1HB LYS 64 2.721 -2.222 -13.693 539 HG2 LYS 64 2HG LYS 64 2.848 0.403 -15.156 540 HG3 LYS 64 1HG LYS 64 3.581 -1.099 -15.719 541 HD2 LYS 64 2HD LYS 64 0.639 -0.681 -15.184 542 HD3 LYS 64 1HD LYS 64 1.398 -0.670 -16.776 543 HE2 LYS 64 2HE LYS 64 2.146 -3.003 -16.386 544 HE3 LYS 64 1HE LYS 64 1.275 -2.992 -14.852 545 HZ1 LYS 64 3HZ LYS 64 0.106 -2.717 -17.568 546 HZ2 LYS 64 1HZ LYS 64 -0.777 -2.521 -16.132 547 HZ3 LYS 64 2HZ LYS 64 -0.085 -4.025 -16.506 548 H GLN 65 H GLN 65 3.648 -0.179 -10.982 549 HA GLN 65 HA GLN 65 3.155 -2.434 -9.358 550 HB2 GLN 65 2HB GLN 65 4.641 0.137 -8.810 551 HB3 GLN 65 1HB GLN 65 4.612 -1.222 -7.697 552 HG2 GLN 65 2HG GLN 65 5.669 -1.302 -10.516 553 HG3 GLN 65 1HG GLN 65 6.647 -1.155 -9.058 554 HE21 GLN 65 1HE2 GLN 65 6.664 -3.230 -11.120 555 HE22 GLN 65 2HE2 GLN 65 6.364 -4.725 -10.285 556 H VAL 66 H VAL 66 2.233 0.994 -9.049 557 HA VAL 66 HA VAL 66 1.056 0.685 -6.483 558 HB VAL 66 HB VAL 66 0.563 2.859 -8.535 559 HG11 VAL 66 1HG1 VAL 66 -0.113 2.775 -5.593 560 HG12 VAL 66 2HG1 VAL 66 -1.271 2.724 -6.921 561 HG13 VAL 66 3HG1 VAL 66 -0.296 4.169 -6.659 562 HG21 VAL 66 3HG2 VAL 66 2.126 4.154 -7.179 563 HG22 VAL 66 1HG2 VAL 66 2.890 2.691 -7.801 564 HG23 VAL 66 2HG2 VAL 66 2.367 2.766 -6.119 565 H LYS 67 H LYS 67 -0.283 0.606 -9.759 566 HA LYS 67 HA LYS 67 -2.992 0.388 -8.943 567 HB2 LYS 67 2HB LYS 67 -2.348 1.219 -11.156 568 HB3 LYS 67 1HB LYS 67 -1.687 -0.358 -11.563 569 HG2 LYS 67 2HG LYS 67 -3.941 -1.327 -11.349 570 HG3 LYS 67 1HG LYS 67 -4.581 0.289 -11.037 571 HD2 LYS 67 2HD LYS 67 -3.814 1.037 -13.220 572 HD3 LYS 67 1HD LYS 67 -3.098 -0.546 -13.527 573 HE2 LYS 67 2HE LYS 67 -5.194 -0.431 -14.671 574 HE3 LYS 67 1HE LYS 67 -5.361 -1.547 -13.318 575 HZ1 LYS 67 3HZ LYS 67 -7.272 -0.160 -13.398 576 HZ2 LYS 67 1HZ LYS 67 -6.341 1.252 -13.458 577 HZ3 LYS 67 2HZ LYS 67 -6.366 0.311 -12.047 578 H THR 68 H THR 68 -0.563 -1.995 -9.910 579 HA THR 68 HA THR 68 -2.318 -4.208 -9.945 580 HB THR 68 HB THR 68 0.685 -4.213 -9.558 581 HG1 THR 68 1HG THR 68 0.330 -3.341 -11.526 582 HG21 THR 68 3HG2 THR 68 -0.313 -6.343 -8.897 583 HG22 THR 68 1HG2 THR 68 0.564 -6.514 -10.419 584 HG23 THR 68 2HG2 THR 68 -1.196 -6.414 -10.422 585 H TRP 69 H TRP 69 -0.290 -2.806 -7.396 586 HA TRP 69 HA TRP 69 -0.674 -4.875 -5.515 587 HB2 TRP 69 2HB TRP 69 1.033 -3.036 -5.323 588 HB3 TRP 69 1HB TRP 69 -0.279 -1.941 -4.891 589 HD1 TRP 69 HD TRP 69 1.688 -4.936 -3.532 590 HE1 TRP 69 1HE TRP 69 1.309 -5.088 -0.993 591 HE3 TRP 69 3HE TRP 69 -1.899 -1.317 -3.014 592 HZ2 TRP 69 2HZ TRP 69 -0.280 -3.841 0.971 593 HZ3 TRP 69 3HZ TRP 69 -2.792 -0.860 -0.768 594 HH2 TRP 69 HH TRP 69 -2.000 -2.097 1.181 595 H PHE 70 H PHE 70 -2.468 -1.915 -6.218 596 HA PHE 70 HA PHE 70 -4.413 -2.106 -4.221 597 HB2 PHE 70 2HB PHE 70 -4.212 -0.093 -5.519 598 HB3 PHE 70 1HB PHE 70 -4.548 -0.958 -7.013 599 HD1 PHE 70 2HD PHE 70 -6.152 -0.417 -3.687 600 HD2 PHE 70 1HD PHE 70 -6.618 -0.697 -7.903 601 HE1 PHE 70 2HE PHE 70 -8.546 0.087 -3.452 602 HE2 PHE 70 1HE PHE 70 -9.014 -0.190 -7.680 603 HZ PHE 70 HZ PHE 70 -9.982 0.199 -5.454 604 H GLN 71 H GLN 71 -4.327 -3.508 -7.475 605 HA GLN 71 HA GLN 71 -6.886 -4.719 -7.392 606 HB2 GLN 71 2HB GLN 71 -4.432 -5.590 -8.930 607 HB3 GLN 71 1HB GLN 71 -6.077 -6.118 -9.242 608 HG2 GLN 71 2HG GLN 71 -5.111 -3.282 -9.471 609 HG3 GLN 71 1HG GLN 71 -5.281 -4.409 -10.814 610 HE21 GLN 71 1HE2 GLN 71 -6.940 -2.431 -8.508 611 HE22 GLN 71 2HE2 GLN 71 -8.500 -2.519 -9.247 612 H ASN 72 H ASN 72 -3.684 -5.827 -6.483 613 HA ASN 72 HA ASN 72 -4.323 -8.535 -6.015 614 HB2 ASN 72 2HB ASN 72 -2.013 -7.467 -6.355 615 HB3 ASN 72 1HB ASN 72 -2.098 -7.008 -4.659 616 HD21 ASN 72 1HD2 ASN 72 -0.229 -8.756 -6.015 617 HD22 ASN 72 2HD2 ASN 72 -0.331 -10.287 -5.226 618 H GLN 73 H GLN 73 -4.038 -5.721 -3.872 619 HA GLN 73 HA GLN 73 -4.618 -6.957 -1.445 620 HB2 GLN 73 2HB GLN 73 -3.850 -4.637 -1.617 621 HB3 GLN 73 1HB GLN 73 -5.368 -4.177 -2.377 622 HG2 GLN 73 2HG GLN 73 -6.530 -4.919 -0.280 623 HG3 GLN 73 1HG GLN 73 -4.937 -5.089 0.455 624 HE21 GLN 73 1HE2 GLN 73 -5.706 -2.621 -1.865 625 HE22 GLN 73 2HE2 GLN 73 -5.635 -1.287 -0.773 626 H ARG 74 H ARG 74 -6.794 -5.642 -3.904 627 HA ARG 74 HA ARG 74 -9.166 -6.177 -2.424 628 HB2 ARG 74 2HB ARG 74 -9.104 -4.450 -4.153 629 HB3 ARG 74 1HB ARG 74 -8.796 -5.670 -5.379 630 HG2 ARG 74 2HG ARG 74 -11.105 -4.986 -5.452 631 HG3 ARG 74 1HG ARG 74 -10.992 -6.664 -4.926 632 HD2 ARG 74 2HD ARG 74 -11.213 -4.392 -2.965 633 HD3 ARG 74 1HD ARG 74 -12.636 -5.135 -3.688 634 HE ARG 74 HE ARG 74 -10.970 -7.127 -2.567 635 HH11 ARG 74 1HH1 ARG 74 -13.168 -4.560 -1.620 636 HH12 ARG 74 2HH1 ARG 74 -13.620 -5.338 -0.132 637 HH21 ARG 74 1HH2 ARG 74 -11.572 -8.130 -0.576 638 HH22 ARG 74 2HH2 ARG 74 -12.729 -7.337 0.449 639 H MET 75 H MET 75 -7.337 -7.960 -4.896 640 HA MET 75 HA MET 75 -9.409 -9.908 -5.264 641 HB2 MET 75 2HB MET 75 -7.905 -11.088 -6.674 642 HB3 MET 75 1HB MET 75 -7.636 -9.376 -6.962 643 HG2 MET 75 2HG MET 75 -5.635 -9.428 -5.610 644 HG3 MET 75 1HG MET 75 -5.927 -11.117 -5.203 645 HE1 MET 75 3HE MET 75 -5.035 -8.588 -8.087 646 HE2 MET 75 1HE MET 75 -6.480 -9.390 -8.696 647 HE3 MET 75 2HE MET 75 -4.922 -9.670 -9.472 648 H LYS 76 H LYS 76 -7.134 -9.444 -2.804 649 HA LYS 76 HA LYS 76 -6.326 -11.951 -2.031 650 HB2 LYS 76 2HB LYS 76 -7.152 -9.609 -0.321 651 HB3 LYS 76 1HB LYS 76 -6.433 -11.069 0.342 652 HG2 LYS 76 2HG LYS 76 -5.147 -9.244 -1.676 653 HG3 LYS 76 1HG LYS 76 -4.796 -9.287 0.051 654 HD2 LYS 76 2HD LYS 76 -4.066 -11.627 -0.174 655 HD3 LYS 76 1HD LYS 76 -4.382 -11.543 -1.908 656 HE2 LYS 76 2HE LYS 76 -2.727 -9.769 -2.134 657 HE3 LYS 76 1HE LYS 76 -2.426 -9.814 -0.399 658 HZ1 LYS 76 3HZ LYS 76 -0.748 -11.040 -1.618 659 HZ2 LYS 76 1HZ LYS 76 -1.931 -12.048 -2.299 660 HZ3 LYS 76 2HZ LYS 76 -1.636 -12.088 -0.627 661 H SER 77 H SER 77 -9.425 -10.400 -1.256 662 HA SER 77 HA SER 77 -10.319 -12.328 0.564 663 HB2 SER 77 2HB SER 77 -12.023 -10.572 -1.211 664 HB3 SER 77 1HB SER 77 -12.483 -11.287 0.336 665 HG SER 77 HG SER 77 -11.003 -9.987 1.373 666 H LYS 78 H LYS 78 -10.458 -12.267 -2.929 667 HA LYS 78 HA LYS 78 -12.290 -14.548 -2.956 668 HB2 LYS 78 2HB LYS 78 -12.758 -12.601 -4.414 669 HB3 LYS 78 1HB LYS 78 -11.248 -12.897 -5.262 670 HG2 LYS 78 2HG LYS 78 -12.062 -15.006 -6.079 671 HG3 LYS 78 1HG LYS 78 -13.532 -14.852 -5.111 672 HD2 LYS 78 2HD LYS 78 -14.155 -12.855 -6.376 673 HD3 LYS 78 1HD LYS 78 -12.687 -13.004 -7.342 674 HE2 LYS 78 2HE LYS 78 -13.452 -15.142 -8.214 675 HE3 LYS 78 1HE LYS 78 -14.893 -15.060 -7.201 676 HZ1 LYS 78 3HZ LYS 78 -15.251 -14.370 -9.547 677 HZ2 LYS 78 1HZ LYS 78 -14.221 -13.049 -9.282 678 HZ3 LYS 78 2HZ LYS 78 -15.674 -13.180 -8.416 679 H ARG 79 H ARG 79 -8.973 -13.723 -3.510 680 HA ARG 79 HA ARG 79 -8.485 -16.241 -4.939 681 HB2 ARG 79 2HB ARG 79 -7.793 -14.201 -6.078 682 HB3 ARG 79 1HB ARG 79 -6.813 -13.734 -4.700 683 HG2 ARG 79 2HG ARG 79 -5.290 -15.552 -5.101 684 HG3 ARG 79 1HG ARG 79 -6.328 -16.181 -6.385 685 HD2 ARG 79 2HD ARG 79 -5.876 -14.358 -7.796 686 HD3 ARG 79 1HD ARG 79 -5.204 -13.401 -6.477 687 HE ARG 79 HE ARG 79 -3.440 -15.336 -6.523 688 HH11 ARG 79 1HH1 ARG 79 -5.001 -13.850 -9.278 689 HH12 ARG 79 2HH1 ARG 79 -3.597 -13.971 -10.305 690 HH21 ARG 79 1HH2 ARG 79 -1.586 -15.487 -7.861 691 HH22 ARG 79 2HH2 ARG 79 -1.651 -14.892 -9.490 692 H TRP 80 H TRP 80 -8.206 -14.954 -1.843 693 HA TRP 80 HA TRP 80 -6.425 -17.151 -1.104 694 HB2 TRP 80 2HB TRP 80 -5.045 -15.070 -1.301 695 HB3 TRP 80 1HB TRP 80 -6.044 -14.342 -0.048 696 HD1 TRP 80 HD TRP 80 -3.557 -17.253 -0.523 697 HE1 TRP 80 1HE TRP 80 -2.449 -17.741 1.745 698 HE3 TRP 80 3HE TRP 80 -6.246 -14.033 2.405 699 HZ2 TRP 80 2HZ TRP 80 -2.691 -16.887 4.424 700 HZ3 TRP 80 3HZ TRP 80 -5.748 -13.933 4.812 701 HH2 TRP 80 HH TRP 80 -4.007 -15.332 5.799 702 H GLN 81 H GLN 81 -7.398 -18.317 0.370 703 HA GLN 81 HA GLN 81 -9.052 -16.976 2.410 704 HB2 GLN 81 2HB GLN 81 -10.422 -18.079 0.592 705 HB3 GLN 81 1HB GLN 81 -9.745 -19.617 1.110 706 HG2 GLN 81 2HG GLN 81 -10.703 -19.211 3.364 707 HG3 GLN 81 1HG GLN 81 -11.488 -17.769 2.720 708 HE21 GLN 81 1HE2 GLN 81 -11.416 -21.239 2.729 709 HE22 GLN 81 2HE2 GLN 81 -12.945 -21.470 1.949 710 H LYS 82 H LYS 82 -6.342 -18.512 1.873 711 HA LYS 82 HA LYS 82 -4.916 -19.909 2.932 712 HB2 LYS 82 2HB LYS 82 -5.568 -18.279 4.834 713 HB3 LYS 82 1HB LYS 82 -6.568 -19.591 5.436 714 HG2 LYS 82 2HG LYS 82 -3.644 -19.992 4.908 715 HG3 LYS 82 1HG LYS 82 -4.217 -19.286 6.419 716 HD2 LYS 82 2HD LYS 82 -5.550 -21.286 6.857 717 HD3 LYS 82 1HD LYS 82 -5.024 -21.983 5.323 718 HE2 LYS 82 2HE LYS 82 -2.748 -22.070 6.083 719 HE3 LYS 82 1HE LYS 82 -3.164 -21.202 7.558 720 HZ1 LYS 82 3HZ LYS 82 -4.524 -23.073 8.241 721 HZ2 LYS 82 1HZ LYS 82 -2.929 -23.567 7.959 722 HZ3 LYS 82 2HZ LYS 82 -4.136 -23.916 6.821 723 H ASN 83 H ASN 83 -5.735 -21.593 1.592 724 HA ASN 83 HA ASN 83 -7.562 -23.474 2.921 725 HB2 ASN 83 2HB ASN 83 -8.147 -22.721 0.610 726 HB3 ASN 83 1HB ASN 83 -6.650 -23.442 0.033 727 HD21 ASN 83 1HD2 ASN 83 -8.763 -24.783 2.507 728 HD22 ASN 83 2HD2 ASN 83 -9.241 -26.176 1.594 729 H ASN 84 H ASN 84 -5.773 -24.014 4.344 730 HA ASN 84 HA ASN 84 -4.079 -26.110 3.207 731 HB2 ASN 84 2HB ASN 84 -3.047 -23.873 4.976 732 HB3 ASN 84 1HB ASN 84 -2.127 -25.300 4.513 733 HD21 ASN 84 1HD2 ASN 84 -1.381 -25.498 2.401 734 HD22 ASN 84 2HD2 ASN 84 -1.316 -24.140 1.329 Start of MODEL 12 1 H1 SER 1 H1 SER 1 -8.023 13.220 -5.794 2 H2 SER 1 H2 SER 1 -7.371 14.779 -5.732 3 H3 SER 1 H3 SER 1 -8.027 14.085 -4.334 4 HA SER 1 HA SER 1 -6.312 12.364 -4.401 5 HB2 SER 1 2HB SER 1 -4.360 12.772 -5.883 6 HB3 SER 1 1HB SER 1 -5.835 12.449 -6.793 7 HG SER 1 HG SER 1 -4.238 14.559 -6.942 8 H LYS 2 H LYS 2 -3.643 13.569 -4.432 9 HA LYS 2 HA LYS 2 -2.297 14.661 -2.971 10 HB2 LYS 2 2HB LYS 2 -4.579 16.612 -3.146 11 HB3 LYS 2 1HB LYS 2 -3.206 16.911 -2.092 12 HG2 LYS 2 2HG LYS 2 -2.816 16.330 -5.002 13 HG3 LYS 2 1HG LYS 2 -3.226 17.952 -4.441 14 HD2 LYS 2 2HD LYS 2 -0.930 18.071 -4.442 15 HD3 LYS 2 1HD LYS 2 -1.225 17.541 -2.788 16 HE2 LYS 2 2HE LYS 2 0.564 16.224 -3.673 17 HE3 LYS 2 1HE LYS 2 -0.862 15.193 -3.551 18 HZ1 LYS 2 3HZ LYS 2 0.473 15.027 -5.671 19 HZ2 LYS 2 1HZ LYS 2 -0.114 16.567 -6.072 20 HZ3 LYS 2 2HZ LYS 2 -1.191 15.268 -5.863 21 H GLN 3 H GLN 3 -2.860 16.150 -0.691 22 HA GLN 3 HA GLN 3 -2.891 15.759 1.523 23 HB2 GLN 3 2HB GLN 3 -5.142 15.351 2.471 24 HB3 GLN 3 1HB GLN 3 -5.078 16.648 1.293 25 HG2 GLN 3 2HG GLN 3 -6.173 15.316 -0.348 26 HG3 GLN 3 1HG GLN 3 -6.020 13.867 0.644 27 HE21 GLN 3 1HE2 GLN 3 -6.843 16.941 2.034 28 HE22 GLN 3 2HE2 GLN 3 -8.486 16.555 2.418 29 HA PRO 4 HA PRO 4 -2.294 11.206 1.707 30 HB2 PRO 4 2HB PRO 4 0.360 11.216 2.156 31 HB3 PRO 4 1HB PRO 4 -0.312 11.261 0.523 32 HG2 PRO 4 2HG PRO 4 0.821 13.483 2.167 33 HG3 PRO 4 1HG PRO 4 0.977 13.178 0.428 34 HD2 PRO 4 2HD PRO 4 -0.774 14.992 1.551 35 HD3 PRO 4 1HD PRO 4 -0.972 14.255 -0.050 36 H THR 5 H THR 5 -1.176 13.960 3.550 37 HA THR 5 HA THR 5 -1.378 12.387 6.022 38 HB THR 5 HB THR 5 -0.001 14.338 6.988 39 HG1 THR 5 1HG THR 5 1.396 14.963 4.888 40 HG21 THR 5 3HG2 THR 5 2.123 13.332 6.228 41 HG22 THR 5 1HG2 THR 5 1.240 12.440 4.988 42 HG23 THR 5 2HG2 THR 5 0.937 12.113 6.694 43 H SER 6 H SER 6 -2.600 15.044 4.246 44 HA SER 6 HA SER 6 -3.781 16.361 6.523 45 HB2 SER 6 2HB SER 6 -2.983 17.671 4.584 46 HB3 SER 6 1HB SER 6 -4.178 16.872 3.564 47 HG SER 6 HG SER 6 -4.786 18.440 5.859 48 H ALA 7 H ALA 7 -5.209 14.962 7.462 49 HA ALA 7 HA ALA 7 -7.856 15.019 6.479 50 HB1 ALA 7 1HB ALA 7 -6.556 12.294 6.382 51 HB2 ALA 7 2HB ALA 7 -7.051 13.241 4.981 52 HB3 ALA 7 3HB ALA 7 -8.263 12.643 6.112 53 H GLU 8 H GLU 8 -5.737 14.918 8.854 54 HA GLU 8 HA GLU 8 -5.568 14.331 11.016 55 HB2 GLU 8 2HB GLU 8 -7.716 15.629 11.115 56 HB3 GLU 8 1HB GLU 8 -8.582 14.105 10.981 57 HG2 GLU 8 2HG GLU 8 -8.430 14.887 13.296 58 HG3 GLU 8 1HG GLU 8 -7.623 13.337 13.065 59 H ASN 9 H ASN 9 -4.495 12.437 10.580 60 HA ASN 9 HA ASN 9 -6.144 10.005 10.491 61 HB2 ASN 9 2HB ASN 9 -4.264 8.907 9.392 62 HB3 ASN 9 1HB ASN 9 -4.735 10.352 8.505 63 HD21 ASN 9 1HD2 ASN 9 -2.242 8.734 10.171 64 HD22 ASN 9 2HD2 ASN 9 -1.021 9.940 9.978 65 H SER 10 H SER 10 -6.037 8.608 12.109 66 HA SER 10 HA SER 10 -3.722 8.532 13.860 67 HB2 SER 10 2HB SER 10 -5.363 10.283 14.749 68 HB3 SER 10 1HB SER 10 -6.467 8.942 15.056 69 HG SER 10 HG SER 10 -4.117 9.656 16.346 70 H VAL 11 H VAL 11 -4.092 6.752 15.563 71 HA VAL 11 HA VAL 11 -4.529 4.590 16.087 72 HB VAL 11 HB VAL 11 -6.777 4.717 14.064 73 HG11 VAL 11 1HG1 VAL 11 -6.287 2.741 16.293 74 HG12 VAL 11 2HG1 VAL 11 -6.112 2.416 14.568 75 HG13 VAL 11 3HG1 VAL 11 -7.702 2.785 15.238 76 HG21 VAL 11 3HG2 VAL 11 -7.071 6.364 15.833 77 HG22 VAL 11 1HG2 VAL 11 -6.822 5.117 17.055 78 HG23 VAL 11 2HG2 VAL 11 -8.241 5.055 16.009 79 H ALA 12 H ALA 12 -3.869 5.610 12.965 80 HA ALA 12 HA ALA 12 -2.922 2.958 12.139 81 HB1 ALA 12 1HB ALA 12 -3.262 5.457 10.479 82 HB2 ALA 12 2HB ALA 12 -4.433 4.144 10.579 83 HB3 ALA 12 3HB ALA 12 -2.840 3.852 9.880 84 H LYS 13 H LYS 13 -1.617 4.452 14.150 85 HA LYS 13 HA LYS 13 0.502 6.056 13.350 86 HB2 LYS 13 2HB LYS 13 -0.212 5.822 15.671 87 HB3 LYS 13 1HB LYS 13 0.319 4.148 15.688 88 HG2 LYS 13 2HG LYS 13 2.626 4.834 15.457 89 HG3 LYS 13 1HG LYS 13 2.131 6.521 15.299 90 HD2 LYS 13 2HD LYS 13 2.945 5.950 17.573 91 HD3 LYS 13 1HD LYS 13 1.280 6.536 17.555 92 HE2 LYS 13 2HE LYS 13 0.478 4.212 17.657 93 HE3 LYS 13 1HE LYS 13 2.147 3.645 17.700 94 HZ1 LYS 13 3HZ LYS 13 2.471 4.771 19.790 95 HZ2 LYS 13 1HZ LYS 13 1.138 3.731 19.909 96 HZ3 LYS 13 2HZ LYS 13 0.898 5.404 19.747 97 H LYS 14 H LYS 14 0.285 2.547 13.611 98 HA LYS 14 HA LYS 14 2.305 2.234 11.608 99 HB2 LYS 14 2HB LYS 14 2.913 1.638 14.458 100 HB3 LYS 14 1HB LYS 14 3.436 0.448 13.269 101 HG2 LYS 14 2HG LYS 14 4.670 2.173 12.069 102 HG3 LYS 14 1HG LYS 14 4.120 3.384 13.224 103 HD2 LYS 14 2HD LYS 14 5.728 0.964 14.014 104 HD3 LYS 14 1HD LYS 14 6.461 2.504 13.564 105 HE2 LYS 14 2HE LYS 14 5.065 3.571 15.360 106 HE3 LYS 14 1HE LYS 14 4.620 1.945 15.879 107 HZ1 LYS 14 3HZ LYS 14 6.455 2.693 17.193 108 HZ2 LYS 14 1HZ LYS 14 7.349 3.108 15.812 109 HZ3 LYS 14 2HZ LYS 14 7.024 1.482 16.148 110 H GLU 15 H GLU 15 2.746 -0.403 11.619 111 HA GLU 15 HA GLU 15 0.239 -1.323 10.671 112 HB2 GLU 15 2HB GLU 15 2.956 -2.580 10.863 113 HB3 GLU 15 1HB GLU 15 1.561 -3.491 10.295 114 HG2 GLU 15 2HG GLU 15 2.685 -0.978 9.081 115 HG3 GLU 15 1HG GLU 15 2.787 -2.612 8.422 116 H ASP 16 H ASP 16 -1.308 -1.887 11.971 117 HA ASP 16 HA ASP 16 -2.559 -3.179 13.342 118 HB2 ASP 16 2HB ASP 16 -1.178 -4.939 12.026 119 HB3 ASP 16 1HB ASP 16 -0.278 -5.135 13.524 120 H LYS 17 H LYS 17 -1.577 -4.935 15.452 121 HA LYS 17 HA LYS 17 -1.176 -2.903 17.476 122 HB2 LYS 17 2HB LYS 17 -2.819 -4.807 17.663 123 HB3 LYS 17 1HB LYS 17 -1.456 -5.903 17.779 124 HG2 LYS 17 2HG LYS 17 -1.295 -3.766 19.731 125 HG3 LYS 17 1HG LYS 17 -2.789 -4.694 19.871 126 HD2 LYS 17 2HD LYS 17 -1.409 -6.776 19.861 127 HD3 LYS 17 1HD LYS 17 0.031 -5.761 19.916 128 HE2 LYS 17 2HE LYS 17 -2.156 -5.918 21.985 129 HE3 LYS 17 1HE LYS 17 -0.507 -6.524 22.139 130 HZ1 LYS 17 3HZ LYS 17 0.193 -4.129 21.776 131 HZ2 LYS 17 1HZ LYS 17 -0.536 -4.495 23.267 132 HZ3 LYS 17 2HZ LYS 17 -1.428 -3.716 22.053 133 H VAL 18 H VAL 18 0.901 -3.611 15.538 134 HA VAL 18 HA VAL 18 3.095 -4.147 15.309 135 HB VAL 18 HB VAL 18 3.238 -3.138 18.147 136 HG11 VAL 18 1HG1 VAL 18 5.328 -3.232 15.973 137 HG12 VAL 18 2HG1 VAL 18 5.302 -4.219 17.434 138 HG13 VAL 18 3HG1 VAL 18 5.528 -2.474 17.553 139 HG21 VAL 18 3HG2 VAL 18 2.066 -1.550 16.739 140 HG22 VAL 18 1HG2 VAL 18 3.357 -1.628 15.542 141 HG23 VAL 18 2HG2 VAL 18 3.672 -0.939 17.133 142 HA PRO 19 HA PRO 19 3.000 -8.218 17.438 143 HB2 PRO 19 2HB PRO 19 3.527 -9.696 15.232 144 HB3 PRO 19 1HB PRO 19 1.894 -9.172 15.656 145 HG2 PRO 19 2HG PRO 19 3.785 -8.047 13.640 146 HG3 PRO 19 1HG PRO 19 2.029 -8.256 13.537 147 HD2 PRO 19 2HD PRO 19 3.270 -5.873 14.103 148 HD3 PRO 19 1HD PRO 19 1.614 -6.275 14.595 149 H VAL 20 H VAL 20 4.850 -8.375 18.575 150 HA VAL 20 HA VAL 20 7.386 -8.102 17.143 151 HB VAL 20 HB VAL 20 6.957 -7.717 20.105 152 HG11 VAL 20 1HG1 VAL 20 9.236 -8.316 19.511 153 HG12 VAL 20 2HG1 VAL 20 9.160 -6.629 20.025 154 HG13 VAL 20 3HG1 VAL 20 9.281 -7.025 18.310 155 HG21 VAL 20 3HG2 VAL 20 7.121 -5.640 17.924 156 HG22 VAL 20 1HG2 VAL 20 7.141 -5.302 19.656 157 HG23 VAL 20 2HG2 VAL 20 5.711 -6.015 18.914 158 H LYS 21 H LYS 21 6.983 -10.385 16.585 159 HA LYS 21 HA LYS 21 7.982 -12.137 18.728 160 HB2 LYS 21 2HB LYS 21 6.373 -12.775 16.262 161 HB3 LYS 21 1HB LYS 21 7.208 -14.015 17.184 162 HG2 LYS 21 2HG LYS 21 5.050 -12.189 18.223 163 HG3 LYS 21 1HG LYS 21 4.878 -13.902 17.821 164 HD2 LYS 21 2HD LYS 21 6.587 -14.426 19.539 165 HD3 LYS 21 1HD LYS 21 6.622 -12.717 19.984 166 HE2 LYS 21 2HE LYS 21 4.226 -14.546 20.137 167 HE3 LYS 21 1HE LYS 21 5.217 -14.018 21.497 168 HZ1 LYS 21 3HZ LYS 21 3.433 -12.364 19.799 169 HZ2 LYS 21 1HZ LYS 21 4.579 -11.689 20.853 170 HZ3 LYS 21 2HZ LYS 21 3.328 -12.648 21.467 171 H LYS 22 H LYS 22 8.092 -12.760 15.258 172 HA LYS 22 HA LYS 22 11.001 -12.329 15.278 173 HB2 LYS 22 2HB LYS 22 9.605 -14.701 14.019 174 HB3 LYS 22 1HB LYS 22 11.325 -14.360 13.943 175 HG2 LYS 22 2HG LYS 22 11.519 -14.700 16.339 176 HG3 LYS 22 1HG LYS 22 9.783 -14.989 16.454 177 HD2 LYS 22 2HD LYS 22 11.789 -16.656 14.931 178 HD3 LYS 22 1HD LYS 22 10.974 -17.102 16.433 179 HE2 LYS 22 2HE LYS 22 8.826 -17.073 15.300 180 HE3 LYS 22 1HE LYS 22 9.600 -16.556 13.802 181 HZ1 LYS 22 3HZ LYS 22 9.983 -19.148 15.198 182 HZ2 LYS 22 1HZ LYS 22 10.866 -18.654 13.835 183 HZ3 LYS 22 2HZ LYS 22 9.193 -18.897 13.721 184 H GLN 23 H GLN 23 10.945 -10.489 14.047 185 HA GLN 23 HA GLN 23 9.675 -10.770 11.407 186 HB2 GLN 23 2HB GLN 23 9.800 -8.382 13.226 187 HB3 GLN 23 1HB GLN 23 9.547 -8.199 11.493 188 HG2 GLN 23 2HG GLN 23 7.812 -9.809 13.353 189 HG3 GLN 23 1HG GLN 23 7.445 -8.197 12.738 190 HE21 GLN 23 1HE2 GLN 23 7.797 -11.571 11.908 191 HE22 GLN 23 2HE2 GLN 23 6.956 -11.488 10.395 192 H LYS 24 H LYS 24 11.379 -11.432 10.287 193 HA LYS 24 HA LYS 24 13.548 -9.473 9.973 194 HB2 LYS 24 2HB LYS 24 14.203 -11.711 11.043 195 HB3 LYS 24 1HB LYS 24 13.861 -12.433 9.476 196 HG2 LYS 24 2HG LYS 24 15.524 -10.843 8.487 197 HG3 LYS 24 1HG LYS 24 15.960 -10.385 10.135 198 HD2 LYS 24 2HD LYS 24 16.379 -12.844 10.561 199 HD3 LYS 24 1HD LYS 24 16.236 -13.076 8.815 200 HE2 LYS 24 2HE LYS 24 18.548 -12.844 9.282 201 HE3 LYS 24 1HE LYS 24 18.023 -11.326 8.551 202 HZ1 LYS 24 3HZ LYS 24 18.405 -11.823 11.454 203 HZ2 LYS 24 1HZ LYS 24 17.867 -10.364 10.775 204 HZ3 LYS 24 2HZ LYS 24 19.435 -10.923 10.457 205 H THR 25 H THR 25 11.906 -8.643 8.434 206 HA THR 25 HA THR 25 11.352 -10.208 6.091 207 HB THR 25 HB THR 25 10.427 -7.921 5.285 208 HG1 THR 25 1HG THR 25 9.847 -6.805 7.480 209 HG21 THR 25 3HG2 THR 25 8.370 -8.250 6.592 210 HG22 THR 25 1HG2 THR 25 9.242 -9.327 7.682 211 HG23 THR 25 2HG2 THR 25 9.013 -9.778 5.993 212 H ARG 26 H ARG 26 12.544 -10.332 4.318 213 HA ARG 26 HA ARG 26 15.082 -9.182 4.121 214 HB2 ARG 26 2HB ARG 26 14.136 -11.239 2.904 215 HB3 ARG 26 1HB ARG 26 13.499 -10.095 1.728 216 HG2 ARG 26 2HG ARG 26 15.746 -9.282 1.279 217 HG3 ARG 26 1HG ARG 26 16.396 -10.390 2.488 218 HD2 ARG 26 2HD ARG 26 15.373 -12.259 1.132 219 HD3 ARG 26 1HD ARG 26 15.092 -11.060 -0.134 220 HE ARG 26 HE ARG 26 17.782 -11.674 0.935 221 HH11 ARG 26 1HH1 ARG 26 15.618 -10.951 -1.732 222 HH12 ARG 26 2HH1 ARG 26 16.865 -11.085 -2.941 223 HH21 ARG 26 1HH2 ARG 26 19.411 -11.837 -0.639 224 HH22 ARG 26 2HH2 ARG 26 19.038 -11.565 -2.314 225 H THR 27 H THR 27 12.303 -8.461 1.994 226 HA THR 27 HA THR 27 13.007 -5.634 2.180 227 HB THR 27 HB THR 27 12.358 -5.573 -0.366 228 HG1 THR 27 1HG THR 27 12.017 -7.728 -0.777 229 HG21 THR 27 3HG2 THR 27 14.743 -5.640 -0.941 230 HG22 THR 27 1HG2 THR 27 15.092 -6.435 0.592 231 HG23 THR 27 2HG2 THR 27 14.481 -4.781 0.578 232 H VAL 28 H VAL 28 11.350 -4.248 2.074 233 HA VAL 28 HA VAL 28 8.654 -5.106 1.461 234 HB VAL 28 HB VAL 28 7.794 -4.263 3.694 235 HG11 VAL 28 1HG1 VAL 28 7.834 -6.647 3.160 236 HG12 VAL 28 2HG1 VAL 28 8.154 -6.365 4.871 237 HG13 VAL 28 3HG1 VAL 28 9.480 -6.762 3.779 238 HG21 VAL 28 3HG2 VAL 28 9.331 -4.316 5.600 239 HG22 VAL 28 1HG2 VAL 28 9.799 -3.089 4.424 240 HG23 VAL 28 2HG2 VAL 28 10.680 -4.615 4.505 241 H PHE 29 H PHE 29 7.240 -3.032 2.529 242 HA PHE 29 HA PHE 29 8.239 -0.753 1.048 243 HB2 PHE 29 2HB PHE 29 5.652 -1.209 2.552 244 HB3 PHE 29 1HB PHE 29 6.036 0.251 1.658 245 HD1 PHE 29 2HD PHE 29 5.132 -3.277 1.399 246 HD2 PHE 29 1HD PHE 29 6.022 0.288 -0.740 247 HE1 PHE 29 2HE PHE 29 4.204 -4.279 -0.648 248 HE2 PHE 29 1HE PHE 29 5.094 -0.702 -2.793 249 HZ PHE 29 HZ PHE 29 4.188 -2.992 -2.749 250 H SER 30 H SER 30 8.381 1.380 2.028 251 HA SER 30 HA SER 30 9.760 1.363 4.511 252 HB2 SER 30 2HB SER 30 8.644 3.755 3.028 253 HB3 SER 30 1HB SER 30 9.960 3.753 4.201 254 HG SER 30 HG SER 30 9.968 3.082 1.521 255 H SER 31 H SER 31 9.155 2.692 6.399 256 HA SER 31 HA SER 31 6.740 1.925 7.522 257 HB2 SER 31 2HB SER 31 8.378 4.370 8.234 258 HB3 SER 31 1HB SER 31 7.209 3.562 9.277 259 HG SER 31 HG SER 31 9.281 2.860 9.800 260 H THR 32 H THR 32 7.591 5.032 6.029 261 HA THR 32 HA THR 32 5.169 6.352 6.435 262 HB THR 32 HB THR 32 6.924 6.738 4.012 263 HG1 THR 32 1HG THR 32 7.960 8.313 5.609 264 HG21 THR 32 3HG2 THR 32 5.300 8.661 5.689 265 HG22 THR 32 1HG2 THR 32 4.862 8.060 4.090 266 HG23 THR 32 2HG2 THR 32 6.279 9.091 4.286 267 H GLN 33 H GLN 33 6.217 4.243 3.800 268 HA GLN 33 HA GLN 33 4.028 4.746 2.089 269 HB2 GLN 33 2HB GLN 33 5.721 2.249 2.212 270 HB3 GLN 33 1HB GLN 33 4.770 2.807 0.844 271 HG2 GLN 33 2HG GLN 33 6.214 4.756 0.621 272 HG3 GLN 33 1HG GLN 33 7.158 4.219 2.009 273 HE21 GLN 33 1HE2 GLN 33 5.848 2.104 -0.446 274 HE22 GLN 33 2HE2 GLN 33 7.366 1.629 -1.116 275 H LEU 34 H LEU 34 4.709 2.072 4.334 276 HA LEU 34 HA LEU 34 2.326 0.656 3.928 277 HB2 LEU 34 2HB LEU 34 4.122 0.841 6.342 278 HB3 LEU 34 1HB LEU 34 2.781 -0.280 6.226 279 HG LEU 34 HG LEU 34 5.168 -0.242 4.376 280 HD11 LEU 34 1HD1 LEU 34 4.458 -2.120 6.626 281 HD12 LEU 34 2HD1 LEU 34 5.769 -0.939 6.634 282 HD13 LEU 34 3HD1 LEU 34 5.817 -2.303 5.516 283 HD21 LEU 34 3HD2 LEU 34 4.279 -2.393 3.598 284 HD22 LEU 34 1HD2 LEU 34 3.165 -1.064 3.276 285 HD23 LEU 34 2HD2 LEU 34 2.857 -2.166 4.619 286 H CYS 35 H CYS 35 3.107 3.220 6.236 287 HA CYS 35 HA CYS 35 0.758 3.105 7.748 288 HB2 CYS 35 2HB CYS 35 2.738 4.322 8.495 289 HB3 CYS 35 1HB CYS 35 2.555 5.474 7.179 290 HG CYS 35 HG CYS 35 0.407 5.092 9.825 291 H VAL 36 H VAL 36 1.546 5.190 4.960 292 HA VAL 36 HA VAL 36 -0.899 6.596 4.986 293 HB VAL 36 HB VAL 36 1.015 6.166 2.682 294 HG11 VAL 36 1HG1 VAL 36 -0.022 8.127 1.672 295 HG12 VAL 36 2HG1 VAL 36 -1.170 8.221 3.006 296 HG13 VAL 36 3HG1 VAL 36 -1.210 6.843 1.905 297 HG21 VAL 36 3HG2 VAL 36 1.845 8.397 3.260 298 HG22 VAL 36 1HG2 VAL 36 2.063 7.258 4.589 299 HG23 VAL 36 2HG2 VAL 36 0.755 8.440 4.645 300 H LEU 37 H LEU 37 0.160 3.734 3.185 301 HA LEU 37 HA LEU 37 -2.144 3.485 1.583 302 HB2 LEU 37 2HB LEU 37 -0.200 1.386 2.550 303 HB3 LEU 37 1HB LEU 37 -1.427 1.104 1.329 304 HG LEU 37 HG LEU 37 0.852 3.076 1.074 305 HD11 LEU 37 1HD1 LEU 37 1.652 0.780 1.036 306 HD12 LEU 37 2HD1 LEU 37 1.743 1.498 -0.573 307 HD13 LEU 37 3HD1 LEU 37 0.448 0.365 -0.184 308 HD21 LEU 37 3HD2 LEU 37 -1.263 2.180 -0.883 309 HD22 LEU 37 1HD2 LEU 37 0.135 3.178 -1.285 310 HD23 LEU 37 2HD2 LEU 37 -1.092 3.787 -0.176 311 H ASN 38 H ASN 38 -1.292 2.061 4.716 312 HA ASN 38 HA ASN 38 -3.693 0.525 4.916 313 HB2 ASN 38 2HB ASN 38 -1.652 -0.145 6.085 314 HB3 ASN 38 1HB ASN 38 -1.674 1.343 7.018 315 HD21 ASN 38 1HD2 ASN 38 -1.615 0.072 8.894 316 HD22 ASN 38 2HD2 ASN 38 -3.057 -0.664 9.508 317 H ASP 39 H ASP 39 -2.654 3.650 6.203 318 HA ASP 39 HA ASP 39 -4.921 4.177 7.759 319 HB2 ASP 39 2HB ASP 39 -2.880 5.550 7.863 320 HB3 ASP 39 1HB ASP 39 -3.199 6.150 6.238 321 H ARG 40 H ARG 40 -4.235 4.930 4.358 322 HA ARG 40 HA ARG 40 -6.678 6.279 3.913 323 HB2 ARG 40 2HB ARG 40 -4.391 5.436 2.300 324 HB3 ARG 40 1HB ARG 40 -5.915 5.424 1.419 325 HG2 ARG 40 2HG ARG 40 -4.662 7.564 1.262 326 HG3 ARG 40 1HG ARG 40 -6.297 7.728 1.898 327 HD2 ARG 40 2HD ARG 40 -5.345 7.741 4.195 328 HD3 ARG 40 1HD ARG 40 -3.730 7.723 3.486 329 HE ARG 40 HE ARG 40 -4.730 9.861 2.304 330 HH11 ARG 40 1HH1 ARG 40 -4.964 8.880 5.679 331 HH12 ARG 40 2HH1 ARG 40 -5.077 10.514 6.254 332 HH21 ARG 40 1HH2 ARG 40 -4.898 12.002 3.086 333 HH22 ARG 40 2HH2 ARG 40 -5.067 12.275 4.793 334 H PHE 41 H PHE 41 -5.740 2.891 3.533 335 HA PHE 41 HA PHE 41 -8.183 2.089 2.324 336 HB2 PHE 41 2HB PHE 41 -5.981 0.626 3.734 337 HB3 PHE 41 1HB PHE 41 -7.484 -0.206 3.334 338 HD1 PHE 41 1HD PHE 41 -8.141 1.107 0.778 339 HD2 PHE 41 2HD PHE 41 -4.436 -0.365 2.262 340 HE1 PHE 41 1HE PHE 41 -7.366 0.774 -1.514 341 HE2 PHE 41 2HE PHE 41 -3.651 -0.710 -0.046 342 HZ PHE 41 HZ PHE 41 -5.113 -0.137 -1.943 343 H GLN 42 H GLN 42 -7.261 2.825 5.569 344 HA GLN 42 HA GLN 42 -9.591 1.560 6.721 345 HB2 GLN 42 2HB GLN 42 -7.283 2.029 7.846 346 HB3 GLN 42 1HB GLN 42 -7.943 3.632 8.132 347 HG2 GLN 42 2HG GLN 42 -9.738 1.467 8.909 348 HG3 GLN 42 1HG GLN 42 -8.209 1.475 9.783 349 HE21 GLN 42 1HE2 GLN 42 -11.149 3.215 9.123 350 HE22 GLN 42 2HE2 GLN 42 -11.023 4.328 10.447 351 H ARG 43 H ARG 43 -8.685 4.703 5.498 352 HA ARG 43 HA ARG 43 -11.014 6.052 6.542 353 HB2 ARG 43 2HB ARG 43 -9.289 6.976 4.241 354 HB3 ARG 43 1HB ARG 43 -10.295 7.961 5.294 355 HG2 ARG 43 2HG ARG 43 -7.762 6.526 6.054 356 HG3 ARG 43 1HG ARG 43 -7.966 8.263 5.835 357 HD2 ARG 43 2HD ARG 43 -9.278 8.459 7.767 358 HD3 ARG 43 1HD ARG 43 -9.581 6.722 7.839 359 HE ARG 43 HE ARG 43 -6.799 7.445 8.084 360 HH11 ARG 43 1HH1 ARG 43 -9.805 6.972 9.824 361 HH12 ARG 43 2HH1 ARG 43 -9.029 6.534 11.317 362 HH21 ARG 43 1HH2 ARG 43 -5.765 6.879 10.014 363 HH22 ARG 43 2HH2 ARG 43 -6.716 6.488 11.429 364 H GLN 44 H GLN 44 -9.934 4.981 3.341 365 HA GLN 44 HA GLN 44 -12.715 5.158 2.387 366 HB2 GLN 44 2HB GLN 44 -10.101 5.747 1.077 367 HB3 GLN 44 1HB GLN 44 -11.411 5.123 0.084 368 HG2 GLN 44 2HG GLN 44 -11.727 7.528 1.855 369 HG3 GLN 44 1HG GLN 44 -11.161 7.634 0.188 370 HE21 GLN 44 1HE2 GLN 44 -12.928 8.816 -0.498 371 HE22 GLN 44 2HE2 GLN 44 -14.512 8.120 -0.662 372 H LYS 45 H LYS 45 -13.358 3.575 0.818 373 HA LYS 45 HA LYS 45 -12.766 0.964 1.624 374 HB2 LYS 45 2HB LYS 45 -14.186 0.209 -0.197 375 HB3 LYS 45 1HB LYS 45 -14.923 1.563 0.636 376 HG2 LYS 45 2HG LYS 45 -13.450 1.776 -1.987 377 HG3 LYS 45 1HG LYS 45 -15.196 1.592 -1.834 378 HD2 LYS 45 2HD LYS 45 -15.150 3.701 -0.424 379 HD3 LYS 45 1HD LYS 45 -13.483 3.907 -0.963 380 HE2 LYS 45 2HE LYS 45 -14.846 5.211 -2.406 381 HE3 LYS 45 1HE LYS 45 -14.325 3.794 -3.317 382 HZ1 LYS 45 3HZ LYS 45 -16.968 4.145 -2.008 383 HZ2 LYS 45 1HZ LYS 45 -16.476 2.767 -2.868 384 HZ3 LYS 45 2HZ LYS 45 -16.664 4.246 -3.671 385 H TYR 46 H TYR 46 -11.739 2.732 -1.292 386 HA TYR 46 HA TYR 46 -9.401 1.027 -1.471 387 HB2 TYR 46 2HB TYR 46 -11.420 1.234 -3.716 388 HB3 TYR 46 1HB TYR 46 -9.786 0.625 -3.928 389 HD1 TYR 46 2HD TYR 46 -9.145 -1.354 -2.272 390 HD2 TYR 46 1HD TYR 46 -13.115 -0.279 -3.364 391 HE1 TYR 46 2HE TYR 46 -9.911 -3.614 -1.682 392 HE2 TYR 46 1HE TYR 46 -13.894 -2.535 -2.774 393 HH TYR 46 HH TYR 46 -12.039 -4.717 -0.997 394 H LEU 47 H LEU 47 -8.065 1.798 -3.469 395 HA LEU 47 HA LEU 47 -7.951 4.708 -3.366 396 HB2 LEU 47 2HB LEU 47 -6.050 2.665 -4.516 397 HB3 LEU 47 1HB LEU 47 -5.794 4.400 -4.588 398 HG LEU 47 HG LEU 47 -5.985 2.776 -2.053 399 HD11 LEU 47 1HD1 LEU 47 -3.953 2.278 -3.300 400 HD12 LEU 47 2HD1 LEU 47 -3.592 3.208 -1.844 401 HD13 LEU 47 3HD1 LEU 47 -3.595 4.002 -3.420 402 HD21 LEU 47 3HD2 LEU 47 -5.281 5.676 -2.492 403 HD22 LEU 47 1HD2 LEU 47 -5.226 4.820 -0.954 404 HD23 LEU 47 2HD2 LEU 47 -6.770 5.069 -1.769 405 H SER 48 H SER 48 -8.316 6.009 -5.074 406 HA SER 48 HA SER 48 -9.805 4.933 -7.270 407 HB2 SER 48 2HB SER 48 -8.894 7.775 -6.785 408 HB3 SER 48 1HB SER 48 -10.185 7.245 -7.863 409 HG SER 48 HG SER 48 -10.175 6.857 -5.051 410 H LEU 49 H LEU 49 -9.309 5.998 -9.464 411 HA LEU 49 HA LEU 49 -6.912 4.846 -10.423 412 HB2 LEU 49 2HB LEU 49 -9.090 5.241 -11.683 413 HB3 LEU 49 1HB LEU 49 -8.601 6.914 -11.834 414 HG LEU 49 HG LEU 49 -8.212 5.449 -13.855 415 HD11 LEU 49 1HD1 LEU 49 -5.817 6.838 -12.672 416 HD12 LEU 49 2HD1 LEU 49 -7.094 7.582 -13.639 417 HD13 LEU 49 3HD1 LEU 49 -6.014 6.389 -14.366 418 HD21 LEU 49 3HD2 LEU 49 -6.024 4.325 -12.124 419 HD22 LEU 49 1HD2 LEU 49 -6.236 4.024 -13.850 420 HD23 LEU 49 2HD2 LEU 49 -7.448 3.460 -12.698 421 H GLN 50 H GLN 50 -7.890 8.158 -9.714 422 HA GLN 50 HA GLN 50 -5.416 9.301 -10.604 423 HB2 GLN 50 2HB GLN 50 -7.643 10.494 -10.514 424 HB3 GLN 50 1HB GLN 50 -7.465 10.547 -8.768 425 HG2 GLN 50 2HG GLN 50 -5.434 11.867 -9.004 426 HG3 GLN 50 1HG GLN 50 -5.581 11.790 -10.759 427 HE21 GLN 50 1HE2 GLN 50 -5.774 13.987 -11.033 428 HE22 GLN 50 2HE2 GLN 50 -7.167 14.885 -10.530 429 H GLN 51 H GLN 51 -6.610 7.922 -7.671 430 HA GLN 51 HA GLN 51 -4.693 9.157 -5.950 431 HB2 GLN 51 2HB GLN 51 -6.732 6.994 -5.606 432 HB3 GLN 51 1HB GLN 51 -5.517 7.276 -4.368 433 HG2 GLN 51 2HG GLN 51 -6.257 9.566 -4.117 434 HG3 GLN 51 1HG GLN 51 -7.433 9.344 -5.414 435 HE21 GLN 51 1HE2 GLN 51 -7.764 10.053 -2.559 436 HE22 GLN 51 2HE2 GLN 51 -8.873 8.881 -1.929 437 H MET 52 H MET 52 -4.903 6.038 -7.623 438 HA MET 52 HA MET 52 -2.680 4.886 -6.299 439 HB2 MET 52 2HB MET 52 -2.643 3.241 -8.113 440 HB3 MET 52 1HB MET 52 -4.264 3.490 -7.489 441 HG2 MET 52 2HG MET 52 -4.735 4.961 -9.411 442 HG3 MET 52 1HG MET 52 -3.135 4.585 -10.048 443 HE1 MET 52 3HE MET 52 -5.548 2.103 -8.146 444 HE2 MET 52 1HE MET 52 -6.476 1.441 -9.493 445 HE3 MET 52 2HE MET 52 -6.646 3.140 -9.056 446 H GLN 53 H GLN 53 -2.892 6.800 -9.292 447 HA GLN 53 HA GLN 53 -0.075 6.636 -9.766 448 HB2 GLN 53 2HB GLN 53 -0.449 8.490 -11.380 449 HB3 GLN 53 1HB GLN 53 -1.481 7.096 -11.655 450 HG2 GLN 53 2HG GLN 53 -3.350 8.238 -10.634 451 HG3 GLN 53 1HG GLN 53 -2.323 9.617 -10.245 452 HE21 GLN 53 1HE2 GLN 53 -1.990 7.873 -13.231 453 HE22 GLN 53 2HE2 GLN 53 -2.615 9.114 -14.261 454 H GLU 54 H GLU 54 -2.188 8.786 -8.002 455 HA GLU 54 HA GLU 54 -0.375 10.843 -7.425 456 HB2 GLU 54 2HB GLU 54 -2.797 10.953 -6.967 457 HB3 GLU 54 1HB GLU 54 -2.614 9.737 -5.713 458 HG2 GLU 54 2HG GLU 54 -2.764 11.816 -4.629 459 HG3 GLU 54 1HG GLU 54 -1.074 11.325 -4.537 460 H LEU 55 H LEU 55 -1.215 7.940 -5.523 461 HA LEU 55 HA LEU 55 0.618 8.326 -3.468 462 HB2 LEU 55 2HB LEU 55 -1.092 6.173 -4.468 463 HB3 LEU 55 1HB LEU 55 0.338 5.613 -3.641 464 HG LEU 55 HG LEU 55 -1.521 5.736 -2.089 465 HD11 LEU 55 1HD1 LEU 55 -0.534 7.184 -0.379 466 HD12 LEU 55 2HD1 LEU 55 0.496 7.925 -1.605 467 HD13 LEU 55 3HD1 LEU 55 0.690 6.218 -1.203 468 HD21 LEU 55 3HD2 LEU 55 -2.862 7.426 -3.208 469 HD22 LEU 55 1HD2 LEU 55 -1.656 8.658 -2.833 470 HD23 LEU 55 2HD2 LEU 55 -2.564 7.890 -1.532 471 H SER 56 H SER 56 0.913 6.718 -6.564 472 HA SER 56 HA SER 56 3.421 5.604 -6.347 473 HB2 SER 56 2HB SER 56 2.136 5.210 -8.320 474 HB3 SER 56 1HB SER 56 2.020 6.932 -8.671 475 HG SER 56 HG SER 56 4.598 5.952 -8.518 476 H ASN 57 H ASN 57 2.593 8.943 -7.203 477 HA ASN 57 HA ASN 57 5.292 9.758 -7.564 478 HB2 ASN 57 2HB ASN 57 3.288 10.918 -8.534 479 HB3 ASN 57 1HB ASN 57 2.906 11.501 -6.918 480 HD21 ASN 57 1HD2 ASN 57 6.151 11.170 -8.200 481 HD22 ASN 57 2HD2 ASN 57 6.507 12.864 -8.268 482 H ILE 58 H ILE 58 3.095 9.671 -4.838 483 HA ILE 58 HA ILE 58 4.634 11.383 -3.154 484 HB ILE 58 HB ILE 58 2.562 9.344 -2.321 485 HG12 ILE 58 2HG1 ILE 58 2.246 12.229 -3.162 486 HG13 ILE 58 1HG1 ILE 58 1.625 10.821 -4.006 487 HG21 ILE 58 1HG2 ILE 58 3.902 10.180 -0.472 488 HG22 ILE 58 2HG2 ILE 58 2.263 10.825 -0.380 489 HG23 ILE 58 3HG2 ILE 58 3.579 11.843 -0.966 490 HD11 ILE 58 3HD1 ILE 58 0.759 11.761 -1.282 491 HD12 ILE 58 1HD1 ILE 58 0.142 10.344 -2.129 492 HD13 ILE 58 2HD1 ILE 58 -0.137 11.957 -2.787 493 H LEU 59 H LEU 59 4.330 7.867 -3.515 494 HA LEU 59 HA LEU 59 6.155 7.449 -1.288 495 HB2 LEU 59 2HB LEU 59 4.751 5.438 -3.042 496 HB3 LEU 59 1HB LEU 59 5.667 5.068 -1.595 497 HG LEU 59 HG LEU 59 3.090 6.631 -1.728 498 HD11 LEU 59 1HD1 LEU 59 2.769 4.258 -2.056 499 HD12 LEU 59 2HD1 LEU 59 2.189 4.734 -0.458 500 HD13 LEU 59 3HD1 LEU 59 3.737 3.904 -0.626 501 HD21 LEU 59 3HD2 LEU 59 4.542 7.518 0.014 502 HD22 LEU 59 1HD2 LEU 59 4.777 5.896 0.661 503 HD23 LEU 59 2HD2 LEU 59 3.180 6.644 0.716 504 H ASN 60 H ASN 60 6.655 8.288 -4.325 505 HA ASN 60 HA ASN 60 8.457 8.276 -5.709 506 HB2 ASN 60 2HB ASN 60 9.662 8.532 -3.497 507 HB3 ASN 60 1HB ASN 60 9.923 6.792 -3.519 508 HD21 ASN 60 1HD2 ASN 60 12.108 6.901 -3.627 509 HD22 ASN 60 2HD2 ASN 60 12.970 7.484 -5.008 510 H LEU 61 H LEU 61 6.537 6.114 -5.694 511 HA LEU 61 HA LEU 61 8.158 3.899 -6.760 512 HB2 LEU 61 2HB LEU 61 5.295 3.896 -5.794 513 HB3 LEU 61 1HB LEU 61 6.136 2.511 -6.461 514 HG LEU 61 HG LEU 61 6.861 3.927 -3.895 515 HD11 LEU 61 1HD1 LEU 61 5.536 1.265 -4.387 516 HD12 LEU 61 2HD1 LEU 61 4.774 2.701 -3.705 517 HD13 LEU 61 3HD1 LEU 61 6.057 1.879 -2.818 518 HD21 LEU 61 3HD2 LEU 61 8.393 2.037 -3.565 519 HD22 LEU 61 1HD2 LEU 61 8.814 2.979 -4.996 520 HD23 LEU 61 2HD2 LEU 61 7.984 1.433 -5.171 521 H SER 62 H SER 62 6.624 2.649 -8.429 522 HA SER 62 HA SER 62 5.923 4.663 -10.440 523 HB2 SER 62 2HB SER 62 7.678 3.148 -11.156 524 HB3 SER 62 1HB SER 62 6.701 1.751 -10.720 525 HG SER 62 HG SER 62 5.955 3.678 -12.674 526 H TYR 63 H TYR 63 4.034 4.455 -11.645 527 HA TYR 63 HA TYR 63 1.696 3.733 -10.318 528 HB2 TYR 63 2HB TYR 63 1.608 5.324 -12.105 529 HB3 TYR 63 1HB TYR 63 2.290 4.176 -13.249 530 HD1 TYR 63 2HD TYR 63 -0.741 4.975 -11.271 531 HD2 TYR 63 1HD TYR 63 0.899 2.683 -14.457 532 HE1 TYR 63 2HE TYR 63 -3.009 4.312 -11.961 533 HE2 TYR 63 1HE TYR 63 -1.362 2.021 -15.156 534 HH TYR 63 HH TYR 63 -4.167 3.517 -13.981 535 H LYS 64 H LYS 64 3.735 1.920 -12.522 536 HA LYS 64 HA LYS 64 2.032 -0.261 -13.007 537 HB2 LYS 64 2HB LYS 64 4.100 0.175 -14.278 538 HB3 LYS 64 1HB LYS 64 5.052 -0.192 -12.851 539 HG2 LYS 64 2HG LYS 64 5.092 -2.080 -14.314 540 HG3 LYS 64 1HG LYS 64 4.146 -2.491 -12.883 541 HD2 LYS 64 2HD LYS 64 2.080 -2.021 -14.148 542 HD3 LYS 64 1HD LYS 64 3.055 -1.697 -15.583 543 HE2 LYS 64 2HE LYS 64 2.919 -4.310 -14.077 544 HE3 LYS 64 1HE LYS 64 2.146 -3.962 -15.621 545 HZ1 LYS 64 3HZ LYS 64 4.222 -3.826 -16.694 546 HZ2 LYS 64 1HZ LYS 64 4.311 -5.211 -15.720 547 HZ3 LYS 64 2HZ LYS 64 5.082 -3.783 -15.235 548 H GLN 65 H GLN 65 4.337 0.447 -10.461 549 HA GLN 65 HA GLN 65 4.121 -2.063 -9.135 550 HB2 GLN 65 2HB GLN 65 5.025 0.603 -8.035 551 HB3 GLN 65 1HB GLN 65 5.316 -0.965 -7.304 552 HG2 GLN 65 2HG GLN 65 6.709 -1.611 -9.181 553 HG3 GLN 65 1HG GLN 65 6.374 -0.070 -9.970 554 HE21 GLN 65 1HE2 GLN 65 8.100 -1.667 -7.419 555 HE22 GLN 65 2HE2 GLN 65 9.141 -0.343 -7.029 556 H VAL 66 H VAL 66 2.627 1.126 -8.689 557 HA VAL 66 HA VAL 66 1.349 0.396 -6.236 558 HB VAL 66 HB VAL 66 0.752 2.748 -8.053 559 HG11 VAL 66 1HG1 VAL 66 -0.011 2.261 -5.174 560 HG12 VAL 66 2HG1 VAL 66 -1.111 2.248 -6.553 561 HG13 VAL 66 3HG1 VAL 66 -0.299 3.743 -6.086 562 HG21 VAL 66 3HG2 VAL 66 2.134 4.015 -6.489 563 HG22 VAL 66 1HG2 VAL 66 3.058 2.718 -7.245 564 HG23 VAL 66 2HG2 VAL 66 2.481 2.540 -5.588 565 H LYS 67 H LYS 67 0.277 0.530 -9.613 566 HA LYS 67 HA LYS 67 -2.458 0.047 -9.005 567 HB2 LYS 67 2HB LYS 67 -1.586 1.117 -11.116 568 HB3 LYS 67 1HB LYS 67 -1.058 -0.478 -11.627 569 HG2 LYS 67 2HG LYS 67 -3.912 -0.047 -10.875 570 HG3 LYS 67 1HG LYS 67 -3.329 0.484 -12.451 571 HD2 LYS 67 2HD LYS 67 -2.641 -1.751 -13.008 572 HD3 LYS 67 1HD LYS 67 -3.018 -2.314 -11.380 573 HE2 LYS 67 2HE LYS 67 -5.361 -1.912 -11.725 574 HE3 LYS 67 1HE LYS 67 -5.041 -1.156 -13.286 575 HZ1 LYS 67 3HZ LYS 67 -4.327 -3.231 -14.171 576 HZ2 LYS 67 1HZ LYS 67 -5.836 -3.478 -13.436 577 HZ3 LYS 67 2HZ LYS 67 -4.418 -3.990 -12.658 578 H THR 68 H THR 68 0.218 -2.028 -9.995 579 HA THR 68 HA THR 68 -1.285 -4.408 -10.206 580 HB THR 68 HB THR 68 1.660 -4.112 -9.569 581 HG1 THR 68 1HG THR 68 1.466 -3.240 -11.543 582 HG21 THR 68 3HG2 THR 68 1.882 -6.372 -10.470 583 HG22 THR 68 1HG2 THR 68 0.137 -6.459 -10.712 584 HG23 THR 68 2HG2 THR 68 0.797 -6.363 -9.080 585 H TRP 69 H TRP 69 0.443 -2.912 -7.505 586 HA TRP 69 HA TRP 69 0.118 -4.987 -5.637 587 HB2 TRP 69 2HB TRP 69 1.638 -3.056 -5.332 588 HB3 TRP 69 1HB TRP 69 0.242 -2.004 -5.127 589 HD1 TRP 69 HD TRP 69 2.033 -4.932 -3.358 590 HE1 TRP 69 1HE TRP 69 1.473 -4.821 -0.850 591 HE3 TRP 69 3HE TRP 69 -1.354 -1.095 -3.448 592 HZ2 TRP 69 2HZ TRP 69 -0.178 -3.304 0.865 593 HZ3 TRP 69 3HZ TRP 69 -2.375 -0.375 -1.330 594 HH2 TRP 69 HH TRP 69 -1.800 -1.457 0.781 595 H PHE 70 H PHE 70 -1.833 -2.098 -6.277 596 HA PHE 70 HA PHE 70 -3.868 -2.569 -4.433 597 HB2 PHE 70 2HB PHE 70 -3.757 -0.421 -5.430 598 HB3 PHE 70 1HB PHE 70 -3.804 -1.087 -7.058 599 HD1 PHE 70 1HD PHE 70 -5.846 -0.591 -4.001 600 HD2 PHE 70 2HD PHE 70 -5.822 -1.361 -8.183 601 HE1 PHE 70 1HE PHE 70 -8.287 -0.286 -4.070 602 HE2 PHE 70 2HE PHE 70 -8.259 -1.053 -8.261 603 HZ PHE 70 HZ PHE 70 -9.496 -0.520 -6.203 604 H GLN 71 H GLN 71 -3.487 -3.705 -7.757 605 HA GLN 71 HA GLN 71 -6.050 -4.796 -8.092 606 HB2 GLN 71 2HB GLN 71 -4.322 -4.403 -9.880 607 HB3 GLN 71 1HB GLN 71 -3.490 -5.841 -9.306 608 HG2 GLN 71 2HG GLN 71 -4.814 -6.383 -11.229 609 HG3 GLN 71 1HG GLN 71 -5.495 -7.173 -9.807 610 HE21 GLN 71 1HE2 GLN 71 -7.483 -6.469 -9.004 611 HE22 GLN 71 2HE2 GLN 71 -8.549 -5.475 -9.940 612 H ASN 72 H ASN 72 -3.066 -6.243 -6.872 613 HA ASN 72 HA ASN 72 -4.161 -8.854 -6.531 614 HB2 ASN 72 2HB ASN 72 -1.744 -8.489 -6.845 615 HB3 ASN 72 1HB ASN 72 -1.675 -7.610 -5.325 616 HD21 ASN 72 1HD2 ASN 72 -1.945 -10.723 -6.822 617 HD22 ASN 72 2HD2 ASN 72 -1.683 -11.657 -5.393 618 H GLN 73 H GLN 73 -3.501 -6.104 -4.416 619 HA GLN 73 HA GLN 73 -4.245 -7.222 -1.982 620 HB2 GLN 73 2HB GLN 73 -3.151 -5.015 -2.259 621 HB3 GLN 73 1HB GLN 73 -4.647 -4.366 -2.905 622 HG2 GLN 73 2HG GLN 73 -4.575 -5.585 -0.174 623 HG3 GLN 73 1HG GLN 73 -4.027 -3.933 -0.437 624 HE21 GLN 73 1HE2 GLN 73 -6.307 -4.974 1.101 625 HE22 GLN 73 2HE2 GLN 73 -7.701 -4.180 0.460 626 H ARG 74 H ARG 74 -6.246 -5.477 -4.356 627 HA ARG 74 HA ARG 74 -8.651 -5.773 -2.898 628 HB2 ARG 74 2HB ARG 74 -8.357 -4.070 -4.663 629 HB3 ARG 74 1HB ARG 74 -8.309 -5.347 -5.875 630 HG2 ARG 74 2HG ARG 74 -10.586 -5.985 -5.322 631 HG3 ARG 74 1HG ARG 74 -10.642 -4.750 -4.063 632 HD2 ARG 74 2HD ARG 74 -10.291 -3.023 -5.787 633 HD3 ARG 74 1HD ARG 74 -10.319 -4.282 -7.023 634 HE ARG 74 HE ARG 74 -12.660 -4.472 -5.479 635 HH11 ARG 74 1HH1 ARG 74 -11.176 -2.327 -7.819 636 HH12 ARG 74 2HH1 ARG 74 -12.694 -1.744 -8.435 637 HH21 ARG 74 1HH2 ARG 74 -14.647 -3.699 -6.282 638 HH22 ARG 74 2HH2 ARG 74 -14.655 -2.514 -7.551 639 H MET 75 H MET 75 -7.087 -7.771 -5.382 640 HA MET 75 HA MET 75 -9.335 -9.429 -5.850 641 HB2 MET 75 2HB MET 75 -6.395 -9.799 -6.308 642 HB3 MET 75 1HB MET 75 -7.505 -11.136 -6.559 643 HG2 MET 75 2HG MET 75 -8.787 -9.665 -8.122 644 HG3 MET 75 1HG MET 75 -7.487 -8.485 -7.973 645 HE1 MET 75 3HE MET 75 -4.913 -10.307 -7.794 646 HE2 MET 75 1HE MET 75 -5.012 -8.884 -8.830 647 HE3 MET 75 2HE MET 75 -4.444 -10.418 -9.490 648 H LYS 76 H LYS 76 -6.596 -9.783 -3.617 649 HA LYS 76 HA LYS 76 -7.500 -12.345 -2.704 650 HB2 LYS 76 2HB LYS 76 -5.450 -10.500 -1.473 651 HB3 LYS 76 1HB LYS 76 -5.700 -12.187 -1.048 652 HG2 LYS 76 2HG LYS 76 -5.218 -12.638 -3.549 653 HG3 LYS 76 1HG LYS 76 -4.513 -11.020 -3.531 654 HD2 LYS 76 2HD LYS 76 -3.722 -13.353 -1.790 655 HD3 LYS 76 1HD LYS 76 -2.794 -12.678 -3.127 656 HE2 LYS 76 2HE LYS 76 -2.485 -10.608 -1.926 657 HE3 LYS 76 1HE LYS 76 -3.535 -11.169 -0.625 658 HZ1 LYS 76 3HZ LYS 76 -1.257 -11.431 0.023 659 HZ2 LYS 76 1HZ LYS 76 -0.898 -12.304 -1.386 660 HZ3 LYS 76 2HZ LYS 76 -1.925 -12.968 -0.214 661 H SER 77 H SER 77 -8.010 -9.048 -1.688 662 HA SER 77 HA SER 77 -9.009 -9.757 0.905 663 HB2 SER 77 2HB SER 77 -9.285 -7.173 -0.640 664 HB3 SER 77 1HB SER 77 -9.678 -7.399 1.066 665 HG SER 77 HG SER 77 -7.156 -7.462 -0.203 666 H LYS 78 H LYS 78 -10.382 -9.379 -2.275 667 HA LYS 78 HA LYS 78 -13.089 -9.366 -1.203 668 HB2 LYS 78 2HB LYS 78 -12.507 -7.927 -3.155 669 HB3 LYS 78 1HB LYS 78 -12.216 -9.383 -4.098 670 HG2 LYS 78 2HG LYS 78 -14.570 -10.055 -3.677 671 HG3 LYS 78 1HG LYS 78 -14.826 -8.497 -2.894 672 HD2 LYS 78 2HD LYS 78 -15.602 -8.414 -5.183 673 HD3 LYS 78 1HD LYS 78 -14.198 -7.365 -4.984 674 HE2 LYS 78 2HE LYS 78 -12.766 -8.968 -6.025 675 HE3 LYS 78 1HE LYS 78 -14.041 -10.183 -6.035 676 HZ1 LYS 78 3HZ LYS 78 -14.168 -7.621 -7.527 677 HZ2 LYS 78 1HZ LYS 78 -15.265 -8.909 -7.620 678 HZ3 LYS 78 2HZ LYS 78 -13.681 -9.098 -8.206 679 H ARG 79 H ARG 79 -11.217 -11.373 -3.504 680 HA ARG 79 HA ARG 79 -13.264 -13.413 -3.413 681 HB2 ARG 79 2HB ARG 79 -10.685 -13.103 -4.922 682 HB3 ARG 79 1HB ARG 79 -11.540 -14.639 -4.899 683 HG2 ARG 79 2HG ARG 79 -13.515 -13.560 -5.845 684 HG3 ARG 79 1HG ARG 79 -12.659 -12.017 -5.868 685 HD2 ARG 79 2HD ARG 79 -11.165 -12.739 -7.520 686 HD3 ARG 79 1HD ARG 79 -11.563 -14.438 -7.259 687 HE ARG 79 HE ARG 79 -13.807 -12.885 -8.149 688 HH11 ARG 79 1HH1 ARG 79 -10.904 -14.501 -9.254 689 HH12 ARG 79 2HH1 ARG 79 -11.574 -14.940 -10.791 690 HH21 ARG 79 1HH2 ARG 79 -14.692 -13.455 -10.183 691 HH22 ARG 79 2HH2 ARG 79 -13.721 -14.323 -11.337 692 H TRP 80 H TRP 80 -9.746 -13.797 -3.116 693 HA TRP 80 HA TRP 80 -9.769 -14.960 -0.556 694 HB2 TRP 80 2HB TRP 80 -9.223 -17.321 -1.279 695 HB3 TRP 80 1HB TRP 80 -10.905 -16.847 -1.474 696 HD1 TRP 80 HD TRP 80 -7.717 -17.353 -3.617 697 HE1 TRP 80 1HE TRP 80 -8.451 -17.979 -6.007 698 HE3 TRP 80 3HE TRP 80 -12.778 -16.834 -3.080 699 HZ2 TRP 80 2HZ TRP 80 -10.849 -18.210 -7.463 700 HZ3 TRP 80 3HZ TRP 80 -14.218 -17.281 -5.022 701 HH2 TRP 80 HH TRP 80 -13.271 -17.956 -7.170 702 H GLN 81 H GLN 81 -7.630 -16.232 -0.224 703 HA GLN 81 HA GLN 81 -5.571 -14.435 -1.006 704 HB2 GLN 81 2HB GLN 81 -5.477 -17.049 0.498 705 HB3 GLN 81 1HB GLN 81 -4.086 -15.998 0.266 706 HG2 GLN 81 2HG GLN 81 -6.624 -15.104 1.600 707 HG3 GLN 81 1HG GLN 81 -5.258 -15.795 2.474 708 HE21 GLN 81 1HE2 GLN 81 -4.950 -13.911 3.641 709 HE22 GLN 81 2HE2 GLN 81 -4.260 -12.491 2.935 710 H LYS 82 H LYS 82 -5.372 -14.535 -3.226 711 HA LYS 82 HA LYS 82 -4.530 -16.987 -4.497 712 HB2 LYS 82 2HB LYS 82 -4.588 -14.132 -5.503 713 HB3 LYS 82 1HB LYS 82 -4.165 -15.525 -6.485 714 HG2 LYS 82 2HG LYS 82 -6.375 -16.423 -6.281 715 HG3 LYS 82 1HG LYS 82 -6.822 -15.170 -5.121 716 HD2 LYS 82 2HD LYS 82 -7.716 -14.651 -7.319 717 HD3 LYS 82 1HD LYS 82 -6.501 -13.462 -6.852 718 HE2 LYS 82 2HE LYS 82 -6.189 -14.051 -9.164 719 HE3 LYS 82 1HE LYS 82 -4.838 -14.676 -8.223 720 HZ1 LYS 82 3HZ LYS 82 -5.651 -16.283 -9.848 721 HZ2 LYS 82 1HZ LYS 82 -7.183 -16.270 -9.125 722 HZ3 LYS 82 2HZ LYS 82 -5.843 -16.867 -8.271 723 H ASN 83 H ASN 83 -2.748 -17.429 -3.074 724 HA ASN 83 HA ASN 83 -0.493 -15.575 -3.176 725 HB2 ASN 83 2HB ASN 83 -1.117 -17.992 -1.494 726 HB3 ASN 83 1HB ASN 83 0.503 -17.311 -1.548 727 HD21 ASN 83 1HD2 ASN 83 0.332 -16.897 0.678 728 HD22 ASN 83 2HD2 ASN 83 -0.566 -15.533 1.265 729 H ASN 84 H ASN 84 1.710 -16.801 -3.211 730 HA ASN 84 HA ASN 84 1.654 -18.576 -5.542 731 HB2 ASN 84 2HB ASN 84 4.125 -17.823 -5.766 732 HB3 ASN 84 1HB ASN 84 2.852 -16.728 -6.274 733 HD21 ASN 84 1HD2 ASN 84 3.873 -17.373 -2.957 734 HD22 ASN 84 2HD2 ASN 84 4.449 -15.765 -2.643 Start of MODEL 13 1 H1 SER 1 H1 SER 1 -4.340 14.595 -5.417 2 H2 SER 1 H2 SER 1 -5.018 13.406 -6.411 3 H3 SER 1 H3 SER 1 -4.575 13.024 -4.817 4 HA SER 1 HA SER 1 -6.706 14.912 -5.627 5 HB2 SER 1 2HB SER 1 -6.852 12.130 -4.416 6 HB3 SER 1 1HB SER 1 -8.233 13.193 -4.690 7 HG SER 1 HG SER 1 -8.203 11.983 -6.474 8 H LYS 2 H LYS 2 -6.272 16.578 -4.262 9 HA LYS 2 HA LYS 2 -5.908 17.771 -2.375 10 HB2 LYS 2 2HB LYS 2 -7.514 15.476 -1.420 11 HB3 LYS 2 1HB LYS 2 -6.628 16.348 -0.179 12 HG2 LYS 2 2HG LYS 2 -8.935 17.159 -0.483 13 HG3 LYS 2 1HG LYS 2 -7.719 18.405 -0.764 14 HD2 LYS 2 2HD LYS 2 -7.927 17.945 -3.212 15 HD3 LYS 2 1HD LYS 2 -9.271 16.861 -2.837 16 HE2 LYS 2 2HE LYS 2 -10.498 18.704 -1.830 17 HE3 LYS 2 1HE LYS 2 -9.144 19.791 -2.133 18 HZ1 LYS 2 3HZ LYS 2 -10.840 20.073 -3.806 19 HZ2 LYS 2 1HZ LYS 2 -10.783 18.426 -4.203 20 HZ3 LYS 2 2HZ LYS 2 -9.447 19.418 -4.518 21 H GLN 3 H GLN 3 -4.941 17.146 0.159 22 HA GLN 3 HA GLN 3 -2.296 16.182 -0.600 23 HB2 GLN 3 2HB GLN 3 -1.503 17.120 1.464 24 HB3 GLN 3 1HB GLN 3 -2.543 18.302 0.685 25 HG2 GLN 3 2HG GLN 3 -4.380 17.597 2.184 26 HG3 GLN 3 1HG GLN 3 -3.244 16.536 3.015 27 HE21 GLN 3 1HE2 GLN 3 -4.743 18.749 4.078 28 HE22 GLN 3 2HE2 GLN 3 -3.586 19.881 4.699 29 HA PRO 4 HA PRO 4 -2.999 12.380 1.600 30 HB2 PRO 4 2HB PRO 4 -0.582 11.296 0.863 31 HB3 PRO 4 1HB PRO 4 -2.000 11.369 -0.186 32 HG2 PRO 4 2HG PRO 4 0.495 12.765 -0.476 33 HG3 PRO 4 1HG PRO 4 -0.921 12.827 -1.537 34 HD2 PRO 4 2HD PRO 4 -0.078 14.693 0.601 35 HD3 PRO 4 1HD PRO 4 -1.089 14.997 -0.828 36 H THR 5 H THR 5 -2.828 13.525 3.696 37 HA THR 5 HA THR 5 -0.190 13.209 4.952 38 HB THR 5 HB THR 5 -1.144 14.825 6.678 39 HG1 THR 5 1HG THR 5 -3.323 14.753 6.154 40 HG21 THR 5 3HG2 THR 5 -0.778 15.815 3.845 41 HG22 THR 5 1HG2 THR 5 0.510 15.500 5.007 42 HG23 THR 5 2HG2 THR 5 -0.647 16.793 5.309 43 H SER 6 H SER 6 0.009 11.634 6.392 44 HA SER 6 HA SER 6 -2.212 10.086 7.271 45 HB2 SER 6 2HB SER 6 0.049 9.114 6.949 46 HB3 SER 6 1HB SER 6 0.643 10.086 8.294 47 HG SER 6 HG SER 6 -1.569 8.381 8.661 48 H ALA 7 H ALA 7 -3.452 10.356 9.000 49 HA ALA 7 HA ALA 7 -2.781 12.559 10.825 50 HB1 ALA 7 1HB ALA 7 -5.157 12.613 11.373 51 HB2 ALA 7 2HB ALA 7 -5.437 11.218 10.333 52 HB3 ALA 7 3HB ALA 7 -4.911 12.747 9.633 53 H GLU 8 H GLU 8 -2.977 9.165 10.665 54 HA GLU 8 HA GLU 8 -3.640 8.769 13.433 55 HB2 GLU 8 2HB GLU 8 -2.859 6.939 11.197 56 HB3 GLU 8 1HB GLU 8 -2.869 6.359 12.857 57 HG2 GLU 8 2HG GLU 8 -5.197 7.504 11.339 58 HG3 GLU 8 1HG GLU 8 -4.951 5.816 11.794 59 H ASN 9 H ASN 9 -2.136 9.809 14.662 60 HA ASN 9 HA ASN 9 0.645 8.973 14.492 61 HB2 ASN 9 2HB ASN 9 1.024 10.545 16.341 62 HB3 ASN 9 1HB ASN 9 0.157 11.324 15.024 63 HD21 ASN 9 1HD2 ASN 9 -0.016 10.170 18.288 64 HD22 ASN 9 2HD2 ASN 9 -1.513 10.931 18.694 65 H SER 10 H SER 10 -1.869 7.384 15.332 66 HA SER 10 HA SER 10 -1.243 6.537 18.023 67 HB2 SER 10 2HB SER 10 -3.154 5.052 16.275 68 HB3 SER 10 1HB SER 10 -3.295 5.482 17.980 69 HG SER 10 HG SER 10 -4.277 6.760 15.835 70 H VAL 11 H VAL 11 -0.151 5.807 14.944 71 HA VAL 11 HA VAL 11 0.162 2.971 15.235 72 HB VAL 11 HB VAL 11 1.513 4.793 13.234 73 HG11 VAL 11 1HG1 VAL 11 2.534 2.588 13.427 74 HG12 VAL 11 2HG1 VAL 11 1.705 2.767 11.881 75 HG13 VAL 11 3HG1 VAL 11 0.962 1.830 13.176 76 HG21 VAL 11 3HG2 VAL 11 -0.309 4.176 11.701 77 HG22 VAL 11 1HG2 VAL 11 -0.900 5.074 13.102 78 HG23 VAL 11 2HG2 VAL 11 -1.117 3.326 13.019 79 H ALA 12 H ALA 12 1.402 2.487 16.996 80 HA ALA 12 HA ALA 12 4.049 3.642 17.281 81 HB1 ALA 12 1HB ALA 12 2.758 3.121 19.297 82 HB2 ALA 12 2HB ALA 12 4.245 2.175 19.237 83 HB3 ALA 12 3HB ALA 12 2.704 1.423 18.830 84 H LYS 13 H LYS 13 5.217 3.043 15.561 85 HA LYS 13 HA LYS 13 6.079 1.861 13.852 86 HB2 LYS 13 2HB LYS 13 7.485 -0.028 14.439 87 HB3 LYS 13 1HB LYS 13 7.668 1.275 15.595 88 HG2 LYS 13 2HG LYS 13 5.747 -0.864 16.285 89 HG3 LYS 13 1HG LYS 13 7.460 -1.282 16.290 90 HD2 LYS 13 2HD LYS 13 7.868 0.679 17.774 91 HD3 LYS 13 1HD LYS 13 6.123 0.923 17.858 92 HE2 LYS 13 2HE LYS 13 6.900 -0.298 19.803 93 HE3 LYS 13 1HE LYS 13 5.868 -1.325 18.806 94 HZ1 LYS 13 3HZ LYS 13 7.928 -2.412 19.647 95 HZ2 LYS 13 1HZ LYS 13 8.833 -1.360 18.676 96 HZ3 LYS 13 2HZ LYS 13 7.761 -2.460 17.961 97 H LYS 14 H LYS 14 6.320 -0.822 13.203 98 HA LYS 14 HA LYS 14 5.213 -2.500 12.133 99 HB2 LYS 14 2HB LYS 14 4.338 -2.763 14.540 100 HB3 LYS 14 1HB LYS 14 2.880 -1.964 13.976 101 HG2 LYS 14 2HG LYS 14 2.466 -3.749 12.401 102 HG3 LYS 14 1HG LYS 14 3.987 -4.525 12.843 103 HD2 LYS 14 2HD LYS 14 3.188 -4.924 15.084 104 HD3 LYS 14 1HD LYS 14 1.714 -4.011 14.759 105 HE2 LYS 14 2HE LYS 14 2.532 -6.553 13.353 106 HE3 LYS 14 1HE LYS 14 1.377 -6.459 14.683 107 HZ1 LYS 14 3HZ LYS 14 0.024 -4.961 13.272 108 HZ2 LYS 14 1HZ LYS 14 0.191 -6.517 12.622 109 HZ3 LYS 14 2HZ LYS 14 1.096 -5.234 11.984 110 H GLU 15 H GLU 15 2.324 -2.647 11.623 111 HA GLU 15 HA GLU 15 1.920 -0.204 10.044 112 HB2 GLU 15 2HB GLU 15 0.609 -2.328 8.708 113 HB3 GLU 15 1HB GLU 15 1.963 -1.364 8.142 114 HG2 GLU 15 2HG GLU 15 2.744 -3.523 7.933 115 HG3 GLU 15 1HG GLU 15 3.417 -3.023 9.482 116 H ASP 16 H ASP 16 0.201 -3.138 11.106 117 HA ASP 16 HA ASP 16 -2.134 -1.426 11.672 118 HB2 ASP 16 2HB ASP 16 -2.507 -3.193 9.966 119 HB3 ASP 16 1HB ASP 16 -2.080 -4.411 11.165 120 H LYS 17 H LYS 17 -3.372 -1.909 13.594 121 HA LYS 17 HA LYS 17 -1.538 -2.380 15.790 122 HB2 LYS 17 2HB LYS 17 -3.095 -0.377 15.575 123 HB3 LYS 17 1HB LYS 17 -4.413 -1.478 15.937 124 HG2 LYS 17 2HG LYS 17 -3.319 -1.994 18.107 125 HG3 LYS 17 1HG LYS 17 -2.107 -0.763 17.741 126 HD2 LYS 17 2HD LYS 17 -3.917 0.913 17.553 127 HD3 LYS 17 1HD LYS 17 -5.077 -0.330 18.029 128 HE2 LYS 17 2HE LYS 17 -3.886 -0.606 20.157 129 HE3 LYS 17 1HE LYS 17 -2.755 0.661 19.683 130 HZ1 LYS 17 3HZ LYS 17 -4.711 2.168 19.508 131 HZ2 LYS 17 1HZ LYS 17 -4.393 1.626 21.083 132 HZ3 LYS 17 2HZ LYS 17 -5.662 0.945 20.195 133 H VAL 18 H VAL 18 -2.728 -4.582 14.164 134 HA VAL 18 HA VAL 18 -3.794 -6.134 16.426 135 HB VAL 18 HB VAL 18 -4.597 -6.473 13.529 136 HG11 VAL 18 1HG1 VAL 18 -6.232 -8.092 14.409 137 HG12 VAL 18 2HG1 VAL 18 -5.513 -7.923 16.011 138 HG13 VAL 18 3HG1 VAL 18 -4.567 -8.598 14.686 139 HG21 VAL 18 3HG2 VAL 18 -5.587 -4.478 14.520 140 HG22 VAL 18 1HG2 VAL 18 -6.186 -5.434 15.876 141 HG23 VAL 18 2HG2 VAL 18 -6.808 -5.720 14.251 142 HA PRO 19 HA PRO 19 -0.265 -8.609 14.987 143 HB2 PRO 19 2HB PRO 19 1.117 -8.551 17.335 144 HB3 PRO 19 1HB PRO 19 1.275 -7.313 16.088 145 HG2 PRO 19 2HG PRO 19 0.088 -7.095 18.730 146 HG3 PRO 19 1HG PRO 19 0.448 -5.811 17.566 147 HD2 PRO 19 2HD PRO 19 -2.101 -7.161 18.117 148 HD3 PRO 19 1HD PRO 19 -1.797 -5.644 17.244 149 H VAL 20 H VAL 20 -1.893 -10.328 14.990 150 HA VAL 20 HA VAL 20 -1.897 -11.864 17.483 151 HB VAL 20 HB VAL 20 -4.192 -11.709 15.534 152 HG11 VAL 20 1HG1 VAL 20 -3.973 -13.066 18.221 153 HG12 VAL 20 2HG1 VAL 20 -4.057 -13.868 16.652 154 HG13 VAL 20 3HG1 VAL 20 -5.439 -12.949 17.249 155 HG21 VAL 20 3HG2 VAL 20 -3.898 -10.490 18.277 156 HG22 VAL 20 1HG2 VAL 20 -5.381 -10.509 17.321 157 HG23 VAL 20 2HG2 VAL 20 -3.973 -9.617 16.744 158 H LYS 21 H LYS 21 -0.012 -12.839 16.492 159 HA LYS 21 HA LYS 21 -0.544 -15.463 15.804 160 HB2 LYS 21 2HB LYS 21 -1.166 -14.422 13.568 161 HB3 LYS 21 1HB LYS 21 0.520 -13.962 13.399 162 HG2 LYS 21 2HG LYS 21 1.196 -16.281 13.411 163 HG3 LYS 21 1HG LYS 21 -0.466 -16.791 13.706 164 HD2 LYS 21 2HD LYS 21 0.530 -15.330 11.258 165 HD3 LYS 21 1HD LYS 21 0.134 -17.046 11.346 166 HE2 LYS 21 2HE LYS 21 -1.805 -14.786 11.835 167 HE3 LYS 21 1HE LYS 21 -1.669 -15.695 10.331 168 HZ1 LYS 21 3HZ LYS 21 -2.420 -17.651 11.389 169 HZ2 LYS 21 1HZ LYS 21 -3.479 -16.425 11.883 170 HZ3 LYS 21 2HZ LYS 21 -2.273 -16.980 12.939 171 H LYS 22 H LYS 22 1.960 -13.731 14.101 172 HA LYS 22 HA LYS 22 3.853 -13.806 16.284 173 HB2 LYS 22 2HB LYS 22 4.368 -15.366 13.733 174 HB3 LYS 22 1HB LYS 22 5.597 -14.973 14.921 175 HG2 LYS 22 2HG LYS 22 4.346 -16.306 16.588 176 HG3 LYS 22 1HG LYS 22 3.222 -16.773 15.309 177 HD2 LYS 22 2HD LYS 22 5.121 -17.722 14.039 178 HD3 LYS 22 1HD LYS 22 6.188 -17.328 15.390 179 HE2 LYS 22 2HE LYS 22 3.825 -19.202 15.451 180 HE3 LYS 22 1HE LYS 22 5.525 -19.665 15.469 181 HZ1 LYS 22 3HZ LYS 22 5.732 -18.437 17.596 182 HZ2 LYS 22 1HZ LYS 22 4.674 -19.761 17.677 183 HZ3 LYS 22 2HZ LYS 22 4.055 -18.184 17.585 184 H GLN 23 H GLN 23 4.569 -13.909 12.880 185 HA GLN 23 HA GLN 23 4.636 -11.034 12.562 186 HB2 GLN 23 2HB GLN 23 7.131 -12.745 12.337 187 HB3 GLN 23 1HB GLN 23 7.002 -11.106 11.718 188 HG2 GLN 23 2HG GLN 23 6.668 -10.254 13.957 189 HG3 GLN 23 1HG GLN 23 6.690 -11.892 14.605 190 HE21 GLN 23 1HE2 GLN 23 8.414 -11.485 15.938 191 HE22 GLN 23 2HE2 GLN 23 10.027 -11.266 15.355 192 H LYS 24 H LYS 24 5.884 -10.871 10.150 193 HA LYS 24 HA LYS 24 4.278 -12.673 8.494 194 HB2 LYS 24 2HB LYS 24 5.499 -9.970 7.950 195 HB3 LYS 24 1HB LYS 24 4.827 -10.978 6.672 196 HG2 LYS 24 2HG LYS 24 2.652 -10.928 7.711 197 HG3 LYS 24 1HG LYS 24 3.297 -10.051 9.097 198 HD2 LYS 24 2HD LYS 24 3.744 -8.122 7.732 199 HD3 LYS 24 1HD LYS 24 3.298 -9.004 6.267 200 HE2 LYS 24 2HE LYS 24 1.018 -9.169 6.993 201 HE3 LYS 24 1HE LYS 24 1.421 -8.500 8.572 202 HZ1 LYS 24 3HZ LYS 24 1.853 -6.398 7.620 203 HZ2 LYS 24 1HZ LYS 24 0.360 -6.913 7.005 204 HZ3 LYS 24 2HZ LYS 24 1.750 -7.001 6.037 205 H THR 25 H THR 25 5.188 -13.988 6.973 206 HA THR 25 HA THR 25 8.010 -14.539 7.439 207 HB THR 25 HB THR 25 6.400 -16.381 7.697 208 HG1 THR 25 1HG THR 25 8.362 -16.516 5.665 209 HG21 THR 25 3HG2 THR 25 5.894 -16.028 4.740 210 HG22 THR 25 1HG2 THR 25 4.742 -15.696 6.035 211 HG23 THR 25 2HG2 THR 25 5.284 -17.350 5.735 212 H ARG 26 H ARG 26 6.712 -12.458 5.504 213 HA ARG 26 HA ARG 26 8.574 -13.042 3.311 214 HB2 ARG 26 2HB ARG 26 5.829 -11.816 2.941 215 HB3 ARG 26 1HB ARG 26 7.020 -12.092 1.680 216 HG2 ARG 26 2HG ARG 26 6.816 -14.536 2.111 217 HG3 ARG 26 1HG ARG 26 5.507 -14.173 3.240 218 HD2 ARG 26 2HD ARG 26 4.355 -14.628 1.285 219 HD3 ARG 26 1HD ARG 26 4.482 -12.871 1.245 220 HE ARG 26 HE ARG 26 5.965 -14.780 -0.432 221 HH11 ARG 26 1HH1 ARG 26 5.197 -11.448 0.376 222 HH12 ARG 26 2HH1 ARG 26 5.827 -10.809 -1.111 223 HH21 ARG 26 1HH2 ARG 26 6.739 -13.949 -2.395 224 HH22 ARG 26 2HH2 ARG 26 6.689 -12.232 -2.686 225 H THR 27 H THR 27 9.204 -11.060 2.132 226 HA THR 27 HA THR 27 9.844 -8.940 3.919 227 HB THR 27 HB THR 27 10.628 -7.778 1.808 228 HG1 THR 27 1HG THR 27 9.117 -9.090 0.468 229 HG21 THR 27 3HG2 THR 27 12.531 -9.319 1.479 230 HG22 THR 27 1HG2 THR 27 11.659 -10.561 2.378 231 HG23 THR 27 2HG2 THR 27 12.158 -9.075 3.185 232 H VAL 28 H VAL 28 9.051 -6.875 4.036 233 HA VAL 28 HA VAL 28 6.448 -6.449 2.715 234 HB VAL 28 HB VAL 28 5.740 -5.185 4.739 235 HG11 VAL 28 1HG1 VAL 28 6.496 -8.064 5.222 236 HG12 VAL 28 2HG1 VAL 28 5.026 -7.487 4.434 237 HG13 VAL 28 3HG1 VAL 28 5.303 -7.147 6.141 238 HG21 VAL 28 3HG2 VAL 28 7.874 -4.595 5.680 239 HG22 VAL 28 1HG2 VAL 28 8.296 -6.293 5.894 240 HG23 VAL 28 2HG2 VAL 28 6.992 -5.583 6.846 241 H PHE 29 H PHE 29 5.850 -3.961 3.307 242 HA PHE 29 HA PHE 29 7.829 -2.394 1.889 243 HB2 PHE 29 2HB PHE 29 5.028 -1.809 2.864 244 HB3 PHE 29 1HB PHE 29 6.041 -0.606 2.082 245 HD1 PHE 29 2HD PHE 29 4.366 -3.865 1.591 246 HD2 PHE 29 1HD PHE 29 6.229 -0.512 -0.254 247 HE1 PHE 29 2HE PHE 29 3.567 -4.636 -0.605 248 HE2 PHE 29 1HE PHE 29 5.445 -1.286 -2.456 249 HZ PHE 29 HZ PHE 29 4.107 -3.348 -2.633 250 H SER 30 H SER 30 8.078 -0.046 2.768 251 HA SER 30 HA SER 30 9.255 -0.232 5.366 252 HB2 SER 30 2HB SER 30 10.157 1.225 3.548 253 HB3 SER 30 1HB SER 30 8.718 2.232 3.678 254 HG SER 30 HG SER 30 10.809 1.859 5.552 255 H SER 31 H SER 31 8.594 0.976 7.242 256 HA SER 31 HA SER 31 5.870 0.736 7.820 257 HB2 SER 31 2HB SER 31 7.957 2.411 9.240 258 HB3 SER 31 1HB SER 31 6.400 1.930 9.911 259 HG SER 31 HG SER 31 7.198 -0.306 9.404 260 H THR 32 H THR 32 7.807 3.506 6.817 261 HA THR 32 HA THR 32 5.929 5.528 7.169 262 HB THR 32 HB THR 32 7.876 5.431 4.865 263 HG1 THR 32 1HG THR 32 9.429 6.222 6.423 264 HG21 THR 32 3HG2 THR 32 8.051 7.840 5.293 265 HG22 THR 32 1HG2 THR 32 6.899 7.691 6.621 266 HG23 THR 32 2HG2 THR 32 6.381 7.373 4.966 267 H GLN 33 H GLN 33 6.481 3.404 4.363 268 HA GLN 33 HA GLN 33 4.438 4.542 2.754 269 HB2 GLN 33 2HB GLN 33 5.636 1.766 2.638 270 HB3 GLN 33 1HB GLN 33 4.680 2.525 1.375 271 HG2 GLN 33 2HG GLN 33 6.406 4.238 1.104 272 HG3 GLN 33 1HG GLN 33 7.368 3.459 2.353 273 HE21 GLN 33 1HE2 GLN 33 5.473 1.761 -0.045 274 HE22 GLN 33 2HE2 GLN 33 6.813 1.078 -0.894 275 H LEU 34 H LEU 34 4.603 1.709 4.867 276 HA LEU 34 HA LEU 34 2.058 0.676 4.429 277 HB2 LEU 34 2HB LEU 34 3.773 0.611 6.910 278 HB3 LEU 34 1HB LEU 34 2.317 -0.345 6.703 279 HG LEU 34 HG LEU 34 4.733 -0.539 4.904 280 HD11 LEU 34 1HD1 LEU 34 3.884 -2.336 7.174 281 HD12 LEU 34 2HD1 LEU 34 5.266 -1.242 7.188 282 HD13 LEU 34 3HD1 LEU 34 5.240 -2.610 6.076 283 HD21 LEU 34 3HD2 LEU 34 3.662 -2.594 4.127 284 HD22 LEU 34 1HD2 LEU 34 2.623 -1.196 3.858 285 HD23 LEU 34 2HD2 LEU 34 2.292 -2.292 5.198 286 H CYS 35 H CYS 35 3.094 3.079 6.853 287 HA CYS 35 HA CYS 35 0.607 3.342 8.127 288 HB2 CYS 35 2HB CYS 35 2.826 5.374 7.826 289 HB3 CYS 35 1HB CYS 35 1.462 5.536 8.927 290 HG CYS 35 HG CYS 35 2.379 2.807 9.952 291 H VAL 36 H VAL 36 2.010 5.171 5.419 292 HA VAL 36 HA VAL 36 -0.127 7.003 5.167 293 HB VAL 36 HB VAL 36 1.842 6.092 3.056 294 HG11 VAL 36 1HG1 VAL 36 -0.093 7.128 2.022 295 HG12 VAL 36 2HG1 VAL 36 1.291 8.216 1.936 296 HG13 VAL 36 3HG1 VAL 36 0.022 8.497 3.127 297 HG21 VAL 36 3HG2 VAL 36 3.038 8.161 3.620 298 HG22 VAL 36 1HG2 VAL 36 2.937 7.061 4.997 299 HG23 VAL 36 2HG2 VAL 36 1.878 8.468 4.912 300 H LEU 37 H LEU 37 0.517 3.871 3.655 301 HA LEU 37 HA LEU 37 -1.672 3.885 1.878 302 HB2 LEU 37 2HB LEU 37 -0.179 1.601 3.167 303 HB3 LEU 37 1HB LEU 37 -1.402 1.385 1.929 304 HG LEU 37 HG LEU 37 1.161 2.937 1.551 305 HD11 LEU 37 1HD1 LEU 37 0.393 0.182 0.603 306 HD12 LEU 37 2HD1 LEU 37 1.584 0.551 1.850 307 HD13 LEU 37 3HD1 LEU 37 1.870 1.049 0.182 308 HD21 LEU 37 3HD2 LEU 37 -0.945 2.056 -0.415 309 HD22 LEU 37 1HD2 LEU 37 0.562 2.883 -0.805 310 HD23 LEU 37 2HD2 LEU 37 -0.676 3.710 0.140 311 H ASN 38 H ASN 38 -1.325 2.647 5.191 312 HA ASN 38 HA ASN 38 -3.957 1.558 5.289 313 HB2 ASN 38 2HB ASN 38 -2.067 0.849 6.779 314 HB3 ASN 38 1HB ASN 38 -2.235 2.377 7.636 315 HD21 ASN 38 1HD2 ASN 38 -4.921 0.503 6.353 316 HD22 ASN 38 2HD2 ASN 38 -5.593 0.072 7.886 317 H ASP 39 H ASP 39 -2.551 4.649 6.211 318 HA ASP 39 HA ASP 39 -4.837 5.709 7.478 319 HB2 ASP 39 2HB ASP 39 -2.492 6.662 7.570 320 HB3 ASP 39 1HB ASP 39 -2.765 7.294 5.950 321 H ARG 40 H ARG 40 -3.694 5.858 4.115 322 HA ARG 40 HA ARG 40 -5.688 7.509 3.084 323 HB2 ARG 40 2HB ARG 40 -3.496 6.322 2.058 324 HB3 ARG 40 1HB ARG 40 -4.739 5.292 1.365 325 HG2 ARG 40 2HG ARG 40 -4.182 7.046 -0.181 326 HG3 ARG 40 1HG ARG 40 -5.827 7.288 0.411 327 HD2 ARG 40 2HD ARG 40 -5.049 8.980 1.961 328 HD3 ARG 40 1HD ARG 40 -3.378 8.685 1.491 329 HE ARG 40 HE ARG 40 -4.104 9.476 -0.799 330 HH11 ARG 40 1HH1 ARG 40 -5.681 10.594 2.129 331 HH12 ARG 40 2HH1 ARG 40 -6.161 12.114 1.444 332 HH21 ARG 40 1HH2 ARG 40 -4.701 11.456 -1.702 333 HH22 ARG 40 2HH2 ARG 40 -5.604 12.605 -0.755 334 H PHE 41 H PHE 41 -5.593 3.944 3.274 335 HA PHE 41 HA PHE 41 -8.202 3.537 2.244 336 HB2 PHE 41 2HB PHE 41 -6.333 1.823 3.864 337 HB3 PHE 41 1HB PHE 41 -7.958 1.274 3.446 338 HD1 PHE 41 1HD PHE 41 -8.495 1.953 0.840 339 HD2 PHE 41 2HD PHE 41 -4.706 0.940 2.495 340 HE1 PHE 41 1HE PHE 41 -7.708 1.321 -1.365 341 HE2 PHE 41 2HE PHE 41 -3.910 0.276 0.263 342 HZ PHE 41 HZ PHE 41 -5.412 0.465 -1.681 343 H GLN 42 H GLN 42 -7.014 4.446 5.354 344 HA GLN 42 HA GLN 42 -9.318 3.713 6.888 345 HB2 GLN 42 2HB GLN 42 -6.936 4.160 7.737 346 HB3 GLN 42 1HB GLN 42 -7.321 5.867 7.582 347 HG2 GLN 42 2HG GLN 42 -7.656 5.282 9.841 348 HG3 GLN 42 1HG GLN 42 -9.253 5.473 9.124 349 HE21 GLN 42 1HE2 GLN 42 -6.916 3.218 10.364 350 HE22 GLN 42 2HE2 GLN 42 -7.994 1.879 10.531 351 H ARG 43 H ARG 43 -8.430 6.367 4.864 352 HA ARG 43 HA ARG 43 -10.587 8.064 5.842 353 HB2 ARG 43 2HB ARG 43 -8.824 8.595 3.450 354 HB3 ARG 43 1HB ARG 43 -9.716 9.760 4.421 355 HG2 ARG 43 2HG ARG 43 -7.311 8.173 5.288 356 HG3 ARG 43 1HG ARG 43 -7.361 9.894 4.917 357 HD2 ARG 43 2HD ARG 43 -8.646 10.373 6.823 358 HD3 ARG 43 1HD ARG 43 -9.068 8.678 7.061 359 HE ARG 43 HE ARG 43 -6.239 9.161 7.236 360 HH11 ARG 43 1HH1 ARG 43 -9.274 9.203 9.011 361 HH12 ARG 43 2HH1 ARG 43 -8.510 9.048 10.571 362 HH21 ARG 43 1HH2 ARG 43 -5.246 8.882 9.275 363 HH22 ARG 43 2HH2 ARG 43 -6.233 8.853 10.711 364 H GLN 44 H GLN 44 -9.664 6.303 2.918 365 HA GLN 44 HA GLN 44 -12.506 6.123 2.214 366 HB2 GLN 44 2HB GLN 44 -11.439 7.868 0.780 367 HB3 GLN 44 1HB GLN 44 -10.299 6.654 0.212 368 HG2 GLN 44 2HG GLN 44 -12.132 5.356 -0.723 369 HG3 GLN 44 1HG GLN 44 -13.285 6.558 -0.149 370 HE21 GLN 44 1HE2 GLN 44 -14.044 7.022 -2.190 371 HE22 GLN 44 2HE2 GLN 44 -13.100 7.878 -3.365 372 H LYS 45 H LYS 45 -13.099 4.122 1.441 373 HA LYS 45 HA LYS 45 -11.504 2.008 2.380 374 HB2 LYS 45 2HB LYS 45 -13.229 0.520 1.415 375 HB3 LYS 45 1HB LYS 45 -13.905 1.816 2.390 376 HG2 LYS 45 2HG LYS 45 -14.443 3.054 0.343 377 HG3 LYS 45 1HG LYS 45 -13.790 1.723 -0.615 378 HD2 LYS 45 2HD LYS 45 -15.458 0.218 0.288 379 HD3 LYS 45 1HD LYS 45 -16.079 1.497 1.334 380 HE2 LYS 45 2HE LYS 45 -16.681 2.804 -0.658 381 HE3 LYS 45 1HE LYS 45 -16.104 1.490 -1.683 382 HZ1 LYS 45 3HZ LYS 45 -18.527 1.481 -1.363 383 HZ2 LYS 45 1HZ LYS 45 -18.301 1.243 0.299 384 HZ3 LYS 45 2HZ LYS 45 -17.798 0.055 -0.802 385 H TYR 46 H TYR 46 -11.716 3.424 -0.791 386 HA TYR 46 HA TYR 46 -9.705 1.492 -1.698 387 HB2 TYR 46 2HB TYR 46 -12.139 2.377 -3.245 388 HB3 TYR 46 1HB TYR 46 -10.757 1.579 -3.983 389 HD1 TYR 46 2HD TYR 46 -10.110 -0.530 -2.072 390 HD2 TYR 46 1HD TYR 46 -13.907 0.908 -3.346 391 HE1 TYR 46 2HE TYR 46 -11.104 -2.735 -1.593 392 HE2 TYR 46 1HE TYR 46 -14.911 -1.285 -2.868 393 HH TYR 46 HH TYR 46 -13.281 -3.728 -1.108 394 H LEU 47 H LEU 47 -8.472 2.254 -3.563 395 HA LEU 47 HA LEU 47 -8.159 5.164 -3.553 396 HB2 LEU 47 2HB LEU 47 -6.357 2.966 -4.576 397 HB3 LEU 47 1HB LEU 47 -6.020 4.675 -4.742 398 HG LEU 47 HG LEU 47 -6.294 3.228 -2.115 399 HD11 LEU 47 1HD1 LEU 47 -3.862 3.535 -1.943 400 HD12 LEU 47 2HD1 LEU 47 -3.840 4.175 -3.585 401 HD13 LEU 47 3HD1 LEU 47 -4.306 2.500 -3.302 402 HD21 LEU 47 3HD2 LEU 47 -6.924 5.581 -1.991 403 HD22 LEU 47 1HD2 LEU 47 -5.395 6.033 -2.747 404 HD23 LEU 47 2HD2 LEU 47 -5.402 5.281 -1.150 405 H SER 48 H SER 48 -8.508 6.358 -5.357 406 HA SER 48 HA SER 48 -9.868 5.075 -7.552 407 HB2 SER 48 2HB SER 48 -10.224 7.372 -8.375 408 HB3 SER 48 1HB SER 48 -10.716 7.213 -6.689 409 HG SER 48 HG SER 48 -9.521 9.019 -6.707 410 H LEU 49 H LEU 49 -9.217 6.357 -9.738 411 HA LEU 49 HA LEU 49 -6.819 5.099 -10.565 412 HB2 LEU 49 2HB LEU 49 -8.715 5.549 -12.073 413 HB3 LEU 49 1HB LEU 49 -8.425 7.272 -11.922 414 HG LEU 49 HG LEU 49 -6.190 6.940 -12.979 415 HD11 LEU 49 1HD1 LEU 49 -5.751 4.839 -14.146 416 HD12 LEU 49 2HD1 LEU 49 -7.211 4.142 -13.443 417 HD13 LEU 49 3HD1 LEU 49 -5.863 4.598 -12.402 418 HD21 LEU 49 3HD2 LEU 49 -8.559 5.991 -14.588 419 HD22 LEU 49 1HD2 LEU 49 -7.056 6.639 -15.246 420 HD23 LEU 49 2HD2 LEU 49 -8.118 7.673 -14.289 421 H GLN 50 H GLN 50 -7.685 8.387 -9.708 422 HA GLN 50 HA GLN 50 -5.091 9.444 -10.339 423 HB2 GLN 50 2HB GLN 50 -7.188 10.777 -10.431 424 HB3 GLN 50 1HB GLN 50 -7.284 10.684 -8.679 425 HG2 GLN 50 2HG GLN 50 -5.424 12.048 -8.381 426 HG3 GLN 50 1HG GLN 50 -4.873 11.814 -10.041 427 HE21 GLN 50 1HE2 GLN 50 -7.153 13.449 -7.979 428 HE22 GLN 50 2HE2 GLN 50 -7.649 14.640 -9.141 429 H GLN 51 H GLN 51 -6.611 8.089 -7.508 430 HA GLN 51 HA GLN 51 -4.647 9.091 -5.692 431 HB2 GLN 51 2HB GLN 51 -6.851 7.061 -5.420 432 HB3 GLN 51 1HB GLN 51 -5.763 7.472 -4.099 433 HG2 GLN 51 2HG GLN 51 -6.516 9.700 -4.023 434 HG3 GLN 51 1HG GLN 51 -7.316 9.566 -5.585 435 HE21 GLN 51 1HE2 GLN 51 -7.530 7.160 -3.045 436 HE22 GLN 51 2HE2 GLN 51 -9.208 7.416 -2.694 437 H MET 52 H MET 52 -4.965 6.131 -7.581 438 HA MET 52 HA MET 52 -2.871 4.759 -6.194 439 HB2 MET 52 2HB MET 52 -2.859 3.202 -8.080 440 HB3 MET 52 1HB MET 52 -4.486 3.497 -7.490 441 HG2 MET 52 2HG MET 52 -4.847 5.056 -9.363 442 HG3 MET 52 1HG MET 52 -3.238 4.660 -9.967 443 HE1 MET 52 3HE MET 52 -6.688 1.598 -9.675 444 HE2 MET 52 1HE MET 52 -6.868 3.300 -9.256 445 HE3 MET 52 2HE MET 52 -5.857 2.250 -8.262 446 H GLN 53 H GLN 53 -2.951 6.878 -9.039 447 HA GLN 53 HA GLN 53 -0.130 6.675 -9.482 448 HB2 GLN 53 2HB GLN 53 -0.442 8.679 -10.930 449 HB3 GLN 53 1HB GLN 53 -1.504 7.342 -11.339 450 HG2 GLN 53 2HG GLN 53 -3.279 8.489 -9.987 451 HG3 GLN 53 1HG GLN 53 -2.200 9.878 -9.899 452 HE21 GLN 53 1HE2 GLN 53 -2.349 7.844 -12.727 453 HE22 GLN 53 2HE2 GLN 53 -3.152 8.986 -13.750 454 H GLU 54 H GLU 54 -2.228 8.710 -7.571 455 HA GLU 54 HA GLU 54 -0.423 10.646 -6.693 456 HB2 GLU 54 2HB GLU 54 -2.774 10.820 -6.193 457 HB3 GLU 54 1HB GLU 54 -2.755 9.298 -5.319 458 HG2 GLU 54 2HG GLU 54 -1.229 10.382 -3.654 459 HG3 GLU 54 1HG GLU 54 -1.526 11.913 -4.481 460 H LEU 55 H LEU 55 -1.233 7.500 -5.199 461 HA LEU 55 HA LEU 55 0.525 7.779 -3.041 462 HB2 LEU 55 2HB LEU 55 -1.250 5.766 -4.137 463 HB3 LEU 55 1HB LEU 55 0.165 5.070 -3.389 464 HG LEU 55 HG LEU 55 -1.638 5.173 -1.779 465 HD11 LEU 55 1HD1 LEU 55 0.618 5.522 -0.945 466 HD12 LEU 55 2HD1 LEU 55 -0.559 6.437 -0.003 467 HD13 LEU 55 3HD1 LEU 55 0.450 7.260 -1.194 468 HD21 LEU 55 3HD2 LEU 55 -1.684 8.126 -2.380 469 HD22 LEU 55 1HD2 LEU 55 -2.563 7.347 -1.064 470 HD23 LEU 55 2HD2 LEU 55 -2.951 6.953 -2.737 471 H SER 56 H SER 56 0.949 6.305 -6.195 472 HA SER 56 HA SER 56 3.374 4.994 -5.669 473 HB2 SER 56 2HB SER 56 3.688 5.383 -8.248 474 HB3 SER 56 1HB SER 56 2.427 4.304 -7.660 475 HG SER 56 HG SER 56 0.916 5.733 -8.192 476 H ASN 57 H ASN 57 2.731 8.273 -6.891 477 HA ASN 57 HA ASN 57 5.414 8.985 -7.293 478 HB2 ASN 57 2HB ASN 57 2.925 10.612 -6.805 479 HB3 ASN 57 1HB ASN 57 4.486 11.340 -7.137 480 HD21 ASN 57 1HD2 ASN 57 2.020 11.449 -8.680 481 HD22 ASN 57 2HD2 ASN 57 2.399 10.823 -10.251 482 H ILE 58 H ILE 58 3.381 9.044 -4.437 483 HA ILE 58 HA ILE 58 5.074 10.655 -2.820 484 HB ILE 58 HB ILE 58 3.182 8.523 -1.833 485 HG12 ILE 58 2HG1 ILE 58 2.522 11.389 -2.529 486 HG13 ILE 58 1HG1 ILE 58 2.057 9.989 -3.484 487 HG21 ILE 58 1HG2 ILE 58 2.985 9.972 0.122 488 HG22 ILE 58 2HG2 ILE 58 4.107 11.120 -0.607 489 HG23 ILE 58 3HG2 ILE 58 4.662 9.506 -0.156 490 HD11 ILE 58 3HD1 ILE 58 1.175 10.599 -0.680 491 HD12 ILE 58 1HD1 ILE 58 0.754 9.146 -1.589 492 HD13 ILE 58 2HD1 ILE 58 0.204 10.726 -2.146 493 H LEU 59 H LEU 59 4.567 7.148 -3.061 494 HA LEU 59 HA LEU 59 6.571 6.666 -1.041 495 HB2 LEU 59 2HB LEU 59 5.063 4.648 -2.689 496 HB3 LEU 59 1HB LEU 59 5.927 4.353 -1.193 497 HG LEU 59 HG LEU 59 3.407 5.982 -1.497 498 HD11 LEU 59 1HD1 LEU 59 2.379 4.196 -0.188 499 HD12 LEU 59 2HD1 LEU 59 3.906 3.313 -0.197 500 HD13 LEU 59 3HD1 LEU 59 3.038 3.590 -1.708 501 HD21 LEU 59 3HD2 LEU 59 3.412 6.166 0.921 502 HD22 LEU 59 1HD2 LEU 59 4.874 6.889 0.249 503 HD23 LEU 59 2HD2 LEU 59 4.941 5.296 1.004 504 H ASN 60 H ASN 60 6.924 7.510 -4.065 505 HA ASN 60 HA ASN 60 8.588 7.408 -5.595 506 HB2 ASN 60 2HB ASN 60 9.936 7.419 -3.357 507 HB3 ASN 60 1HB ASN 60 10.245 5.727 -3.730 508 HD21 ASN 60 1HD2 ASN 60 11.613 5.199 -5.396 509 HD22 ASN 60 2HD2 ASN 60 12.603 6.374 -6.203 510 H LEU 61 H LEU 61 6.539 5.508 -5.640 511 HA LEU 61 HA LEU 61 7.888 3.158 -6.806 512 HB2 LEU 61 2HB LEU 61 5.046 3.427 -5.802 513 HB3 LEU 61 1HB LEU 61 5.743 1.982 -6.508 514 HG LEU 61 HG LEU 61 6.621 3.251 -3.913 515 HD11 LEU 61 1HD1 LEU 61 5.628 1.274 -2.873 516 HD12 LEU 61 2HD1 LEU 61 5.049 0.735 -4.449 517 HD13 LEU 61 3HD1 LEU 61 4.420 2.224 -3.740 518 HD21 LEU 61 3HD2 LEU 61 7.951 1.210 -3.640 519 HD22 LEU 61 1HD2 LEU 61 8.463 2.143 -5.046 520 HD23 LEU 61 2HD2 LEU 61 7.480 0.695 -5.260 521 H SER 62 H SER 62 6.135 2.182 -8.505 522 HA SER 62 HA SER 62 5.699 4.396 -10.379 523 HB2 SER 62 2HB SER 62 7.291 2.759 -11.193 524 HB3 SER 62 1HB SER 62 6.157 1.446 -10.879 525 HG SER 62 HG SER 62 6.192 3.346 -12.930 526 H TYR 63 H TYR 63 3.801 4.521 -11.551 527 HA TYR 63 HA TYR 63 1.406 3.999 -10.264 528 HB2 TYR 63 2HB TYR 63 1.362 5.685 -11.893 529 HB3 TYR 63 1HB TYR 63 2.124 4.664 -13.104 530 HD1 TYR 63 2HD TYR 63 -1.055 5.272 -11.293 531 HD2 TYR 63 1HD TYR 63 0.834 3.376 -14.597 532 HE1 TYR 63 2HE TYR 63 -3.262 4.731 -12.240 533 HE2 TYR 63 1HE TYR 63 -1.362 2.832 -15.555 534 HH TYR 63 HH TYR 63 -4.231 4.228 -14.495 535 H LYS 64 H LYS 64 3.058 2.130 -12.761 536 HA LYS 64 HA LYS 64 0.987 0.288 -13.265 537 HB2 LYS 64 2HB LYS 64 2.958 0.613 -14.732 538 HB3 LYS 64 1HB LYS 64 3.976 -0.122 -13.504 539 HG2 LYS 64 2HG LYS 64 2.867 -2.232 -13.759 540 HG3 LYS 64 1HG LYS 64 1.688 -1.524 -14.865 541 HD2 LYS 64 2HD LYS 64 3.456 -1.062 -16.479 542 HD3 LYS 64 1HD LYS 64 4.661 -1.707 -15.361 543 HE2 LYS 64 2HE LYS 64 2.344 -3.303 -16.442 544 HE3 LYS 64 1HE LYS 64 3.944 -3.280 -17.179 545 HZ1 LYS 64 3HZ LYS 64 3.443 -4.090 -14.366 546 HZ2 LYS 64 1HZ LYS 64 4.888 -4.241 -15.233 547 HZ3 LYS 64 2HZ LYS 64 3.540 -5.179 -15.654 548 H GLN 65 H GLN 65 3.634 0.317 -10.957 549 HA GLN 65 HA GLN 65 3.126 -2.317 -9.990 550 HB2 GLN 65 2HB GLN 65 4.880 -0.059 -9.122 551 HB3 GLN 65 1HB GLN 65 4.604 -1.404 -8.026 552 HG2 GLN 65 2HG GLN 65 6.642 -1.727 -9.284 553 HG3 GLN 65 1HG GLN 65 5.454 -2.960 -9.697 554 HE21 GLN 65 1HE2 GLN 65 7.213 -0.185 -10.804 555 HE22 GLN 65 2HE2 GLN 65 6.837 -0.373 -12.484 556 H VAL 66 H VAL 66 2.085 0.916 -9.044 557 HA VAL 66 HA VAL 66 0.908 -0.011 -6.577 558 HB VAL 66 HB VAL 66 0.598 2.606 -8.038 559 HG11 VAL 66 1HG1 VAL 66 -0.454 1.814 -5.315 560 HG12 VAL 66 2HG1 VAL 66 -1.434 2.138 -6.745 561 HG13 VAL 66 3HG1 VAL 66 -0.497 3.436 -6.007 562 HG21 VAL 66 3HG2 VAL 66 2.802 2.223 -7.104 563 HG22 VAL 66 1HG2 VAL 66 2.094 1.794 -5.546 564 HG23 VAL 66 2HG2 VAL 66 1.956 3.444 -6.152 565 H LYS 67 H LYS 67 -0.275 0.683 -9.830 566 HA LYS 67 HA LYS 67 -3.019 0.302 -9.309 567 HB2 LYS 67 2HB LYS 67 -2.044 1.336 -11.364 568 HB3 LYS 67 1HB LYS 67 -1.523 -0.260 -11.880 569 HG2 LYS 67 2HG LYS 67 -4.394 0.082 -11.249 570 HG3 LYS 67 1HG LYS 67 -3.782 0.872 -12.702 571 HD2 LYS 67 2HD LYS 67 -2.915 -1.279 -13.500 572 HD3 LYS 67 1HD LYS 67 -3.534 -2.064 -12.043 573 HE2 LYS 67 2HE LYS 67 -5.799 -1.541 -12.652 574 HE3 LYS 67 1HE LYS 67 -5.253 -0.561 -14.011 575 HZ1 LYS 67 3HZ LYS 67 -6.046 -2.791 -14.643 576 HZ2 LYS 67 1HZ LYS 67 -4.768 -3.481 -13.766 577 HZ3 LYS 67 2HZ LYS 67 -4.444 -2.501 -15.110 578 H THR 68 H THR 68 -0.469 -1.908 -10.269 579 HA THR 68 HA THR 68 -2.103 -4.224 -10.426 580 HB THR 68 HB THR 68 0.888 -4.035 -9.983 581 HG1 THR 68 1HG THR 68 0.536 -3.058 -11.909 582 HG21 THR 68 3HG2 THR 68 0.956 -6.279 -10.959 583 HG22 THR 68 1HG2 THR 68 -0.804 -6.286 -11.082 584 HG23 THR 68 2HG2 THR 68 -0.029 -6.262 -9.497 585 H TRP 69 H TRP 69 -0.137 -2.747 -7.877 586 HA TRP 69 HA TRP 69 -0.366 -4.785 -5.957 587 HB2 TRP 69 2HB TRP 69 1.239 -3.039 -5.619 588 HB3 TRP 69 1HB TRP 69 -0.006 -1.800 -5.691 589 HD1 TRP 69 HD TRP 69 1.272 -4.586 -3.342 590 HE1 TRP 69 1HE TRP 69 0.573 -3.977 -0.939 591 HE3 TRP 69 3HE TRP 69 -1.571 -0.452 -4.341 592 HZ2 TRP 69 2HZ TRP 69 -0.982 -2.011 0.358 593 HZ3 TRP 69 3HZ TRP 69 -2.630 0.735 -2.461 594 HH2 TRP 69 HH TRP 69 -2.339 -0.032 -0.163 595 H PHE 70 H PHE 70 -2.367 -1.928 -6.575 596 HA PHE 70 HA PHE 70 -4.235 -2.279 -4.542 597 HB2 PHE 70 2HB PHE 70 -4.150 -0.241 -5.852 598 HB3 PHE 70 1HB PHE 70 -4.596 -1.117 -7.312 599 HD1 PHE 70 2HD PHE 70 -5.862 -0.281 -3.908 600 HD2 PHE 70 1HD PHE 70 -6.813 -1.267 -7.938 601 HE1 PHE 70 2HE PHE 70 -8.241 0.148 -3.448 602 HE2 PHE 70 1HE PHE 70 -9.194 -0.844 -7.483 603 HZ PHE 70 HZ PHE 70 -9.907 -0.141 -5.240 604 H GLN 71 H GLN 71 -4.243 -3.560 -7.863 605 HA GLN 71 HA GLN 71 -6.721 -4.924 -7.579 606 HB2 GLN 71 2HB GLN 71 -4.440 -5.242 -9.516 607 HB3 GLN 71 1HB GLN 71 -5.911 -6.199 -9.616 608 HG2 GLN 71 2HG GLN 71 -5.794 -3.194 -9.749 609 HG3 GLN 71 1HG GLN 71 -5.909 -4.274 -11.137 610 HE21 GLN 71 1HE2 GLN 71 -7.582 -2.922 -8.412 611 HE22 GLN 71 2HE2 GLN 71 -9.167 -3.422 -8.886 612 H ASN 72 H ASN 72 -3.387 -5.831 -7.042 613 HA ASN 72 HA ASN 72 -3.746 -8.604 -6.709 614 HB2 ASN 72 2HB ASN 72 -1.550 -7.418 -7.068 615 HB3 ASN 72 1HB ASN 72 -1.646 -6.851 -5.409 616 HD21 ASN 72 1HD2 ASN 72 0.363 -8.498 -6.705 617 HD22 ASN 72 2HD2 ASN 72 0.426 -9.980 -5.804 618 H GLN 73 H GLN 73 -3.614 -5.923 -4.377 619 HA GLN 73 HA GLN 73 -4.120 -7.474 -2.075 620 HB2 GLN 73 2HB GLN 73 -3.255 -5.167 -2.000 621 HB3 GLN 73 1HB GLN 73 -4.791 -4.572 -2.612 622 HG2 GLN 73 2HG GLN 73 -5.906 -5.410 -0.597 623 HG3 GLN 73 1HG GLN 73 -4.347 -5.961 0.021 624 HE21 GLN 73 1HE2 GLN 73 -6.351 -3.220 -0.666 625 HE22 GLN 73 2HE2 GLN 73 -5.414 -2.058 0.203 626 H ARG 74 H ARG 74 -6.221 -5.806 -4.343 627 HA ARG 74 HA ARG 74 -8.633 -6.193 -2.935 628 HB2 ARG 74 2HB ARG 74 -7.883 -4.705 -5.066 629 HB3 ARG 74 1HB ARG 74 -8.733 -6.006 -5.886 630 HG2 ARG 74 2HG ARG 74 -9.940 -4.429 -3.635 631 HG3 ARG 74 1HG ARG 74 -10.082 -3.961 -5.328 632 HD2 ARG 74 2HD ARG 74 -11.203 -6.049 -5.837 633 HD3 ARG 74 1HD ARG 74 -10.983 -6.596 -4.174 634 HE ARG 74 HE ARG 74 -12.559 -4.975 -3.462 635 HH11 ARG 74 1HH1 ARG 74 -12.268 -5.253 -6.950 636 HH12 ARG 74 2HH1 ARG 74 -13.762 -4.426 -7.269 637 HH21 ARG 74 1HH2 ARG 74 -14.521 -3.894 -3.875 638 HH22 ARG 74 2HH2 ARG 74 -15.049 -3.656 -5.514 639 H MET 75 H MET 75 -7.061 -8.043 -5.557 640 HA MET 75 HA MET 75 -9.270 -9.792 -5.933 641 HB2 MET 75 2HB MET 75 -7.836 -11.128 -7.320 642 HB3 MET 75 1HB MET 75 -7.484 -9.434 -7.632 643 HG2 MET 75 2HG MET 75 -5.480 -9.568 -6.291 644 HG3 MET 75 1HG MET 75 -5.854 -11.233 -5.853 645 HE1 MET 75 3HE MET 75 -4.719 -9.874 -10.118 646 HE2 MET 75 1HE MET 75 -4.780 -8.791 -8.725 647 HE3 MET 75 2HE MET 75 -6.268 -9.484 -9.369 648 H LYS 76 H LYS 76 -6.522 -9.880 -3.757 649 HA LYS 76 HA LYS 76 -6.785 -12.636 -3.088 650 HB2 LYS 76 2HB LYS 76 -5.390 -10.365 -1.688 651 HB3 LYS 76 1HB LYS 76 -5.368 -12.017 -1.088 652 HG2 LYS 76 2HG LYS 76 -4.432 -12.667 -3.359 653 HG3 LYS 76 1HG LYS 76 -4.186 -10.942 -3.624 654 HD2 LYS 76 2HD LYS 76 -3.025 -12.574 -1.368 655 HD3 LYS 76 1HD LYS 76 -2.150 -11.992 -2.786 656 HE2 LYS 76 2HE LYS 76 -3.471 -10.285 -0.683 657 HE3 LYS 76 1HE LYS 76 -1.740 -10.578 -0.833 658 HZ1 LYS 76 3HZ LYS 76 -3.459 -9.198 -2.825 659 HZ2 LYS 76 1HZ LYS 76 -1.808 -9.515 -3.022 660 HZ3 LYS 76 2HZ LYS 76 -2.328 -8.462 -1.801 661 H SER 77 H SER 77 -8.507 -9.826 -2.115 662 HA SER 77 HA SER 77 -9.341 -10.640 0.451 663 HB2 SER 77 2HB SER 77 -10.814 -8.929 -1.574 664 HB3 SER 77 1HB SER 77 -11.194 -9.038 0.145 665 HG SER 77 HG SER 77 -8.565 -8.424 -0.412 666 H LYS 78 H LYS 78 -10.839 -11.073 -2.744 667 HA LYS 78 HA LYS 78 -12.825 -12.860 -1.553 668 HB2 LYS 78 2HB LYS 78 -13.979 -12.696 -3.730 669 HB3 LYS 78 1HB LYS 78 -13.705 -11.126 -2.990 670 HG2 LYS 78 2HG LYS 78 -11.750 -10.810 -4.462 671 HG3 LYS 78 1HG LYS 78 -12.128 -12.343 -5.247 672 HD2 LYS 78 2HD LYS 78 -14.144 -10.122 -5.070 673 HD3 LYS 78 1HD LYS 78 -12.945 -10.171 -6.359 674 HE2 LYS 78 2HE LYS 78 -14.949 -11.161 -7.190 675 HE3 LYS 78 1HE LYS 78 -13.780 -12.453 -6.944 676 HZ1 LYS 78 3HZ LYS 78 -16.104 -12.916 -6.189 677 HZ2 LYS 78 1HZ LYS 78 -15.871 -11.777 -4.950 678 HZ3 LYS 78 2HZ LYS 78 -14.906 -13.174 -5.021 679 H ARG 79 H ARG 79 -9.927 -13.023 -3.393 680 HA ARG 79 HA ARG 79 -10.489 -15.815 -4.108 681 HB2 ARG 79 2HB ARG 79 -10.931 -14.209 -6.022 682 HB3 ARG 79 1HB ARG 79 -9.206 -13.870 -6.024 683 HG2 ARG 79 2HG ARG 79 -8.794 -16.292 -6.411 684 HG3 ARG 79 1HG ARG 79 -10.537 -16.515 -6.565 685 HD2 ARG 79 2HD ARG 79 -10.564 -14.924 -8.430 686 HD3 ARG 79 1HD ARG 79 -8.818 -14.729 -8.283 687 HE ARG 79 HE ARG 79 -9.978 -17.378 -8.847 688 HH11 ARG 79 1HH1 ARG 79 -7.875 -14.707 -9.720 689 HH12 ARG 79 2HH1 ARG 79 -7.203 -15.530 -11.094 690 HH21 ARG 79 1HH2 ARG 79 -9.085 -18.456 -10.668 691 HH22 ARG 79 2HH2 ARG 79 -7.862 -17.659 -11.617 692 H TRP 80 H TRP 80 -8.869 -14.819 -1.964 693 HA TRP 80 HA TRP 80 -6.158 -14.658 -2.348 694 HB2 TRP 80 2HB TRP 80 -7.274 -14.557 -0.137 695 HB3 TRP 80 1HB TRP 80 -7.530 -16.296 -0.201 696 HD1 TRP 80 HD TRP 80 -5.228 -17.844 -0.102 697 HE1 TRP 80 1HE TRP 80 -2.991 -17.385 1.083 698 HE3 TRP 80 3HE TRP 80 -5.694 -12.795 0.590 699 HZ2 TRP 80 2HZ TRP 80 -1.614 -15.177 2.180 700 HZ3 TRP 80 3HZ TRP 80 -3.874 -11.589 1.718 701 HH2 TRP 80 HH TRP 80 -1.876 -12.755 2.497 702 H GLN 81 H GLN 81 -4.714 -15.890 -3.335 703 HA GLN 81 HA GLN 81 -4.802 -18.756 -3.082 704 HB2 GLN 81 2HB GLN 81 -4.522 -19.029 -5.616 705 HB3 GLN 81 1HB GLN 81 -6.138 -18.718 -5.005 706 HG2 GLN 81 2HG GLN 81 -6.032 -17.338 -6.837 707 HG3 GLN 81 1HG GLN 81 -5.599 -16.243 -5.528 708 HE21 GLN 81 1HE2 GLN 81 -4.495 -14.847 -6.838 709 HE22 GLN 81 2HE2 GLN 81 -2.971 -15.235 -7.557 710 H LYS 82 H LYS 82 -2.865 -19.640 -3.042 711 HA LYS 82 HA LYS 82 -0.629 -19.920 -3.047 712 HB2 LYS 82 2HB LYS 82 -0.612 -17.764 -5.165 713 HB3 LYS 82 1HB LYS 82 0.734 -18.823 -4.770 714 HG2 LYS 82 2HG LYS 82 -0.750 -20.762 -5.374 715 HG3 LYS 82 1HG LYS 82 -1.902 -19.582 -6.000 716 HD2 LYS 82 2HD LYS 82 -0.554 -20.405 -7.818 717 HD3 LYS 82 1HD LYS 82 -0.119 -18.723 -7.508 718 HE2 LYS 82 2HE LYS 82 1.836 -19.435 -6.267 719 HE3 LYS 82 1HE LYS 82 1.378 -21.123 -6.466 720 HZ1 LYS 82 3HZ LYS 82 1.651 -20.866 -8.855 721 HZ2 LYS 82 1HZ LYS 82 3.087 -20.512 -8.030 722 HZ3 LYS 82 2HZ LYS 82 2.132 -19.253 -8.650 723 H ASN 83 H ASN 83 1.538 -18.339 -3.120 724 HA ASN 83 HA ASN 83 1.218 -15.955 -1.557 725 HB2 ASN 83 2HB ASN 83 0.904 -17.561 0.238 726 HB3 ASN 83 1HB ASN 83 2.337 -18.453 -0.257 727 HD21 ASN 83 1HD2 ASN 83 4.356 -17.694 0.313 728 HD22 ASN 83 2HD2 ASN 83 4.579 -16.411 1.445 729 H ASN 84 H ASN 84 3.693 -18.486 -1.765 730 HA ASN 84 HA ASN 84 5.836 -18.503 -2.493 731 HB2 ASN 84 2HB ASN 84 4.663 -16.666 -4.592 732 HB3 ASN 84 1HB ASN 84 6.215 -17.490 -4.723 733 HD21 ASN 84 1HD2 ASN 84 6.268 -19.682 -5.111 734 HD22 ASN 84 2HD2 ASN 84 4.863 -20.583 -5.584 Start of MODEL 14 1 H1 SER 1 H1 SER 1 -7.212 15.380 -7.809 2 H2 SER 1 H2 SER 1 -5.993 14.462 -8.547 3 H3 SER 1 H3 SER 1 -5.592 15.629 -7.384 4 HA SER 1 HA SER 1 -7.210 13.212 -6.851 5 HB2 SER 1 2HB SER 1 -4.854 12.690 -7.441 6 HB3 SER 1 1HB SER 1 -4.306 13.788 -6.175 7 HG SER 1 HG SER 1 -4.475 12.167 -4.864 8 H LYS 2 H LYS 2 -5.921 13.104 -4.210 9 HA LYS 2 HA LYS 2 -7.709 14.942 -2.893 10 HB2 LYS 2 2HB LYS 2 -5.809 12.879 -1.773 11 HB3 LYS 2 1HB LYS 2 -6.963 13.803 -0.819 12 HG2 LYS 2 2HG LYS 2 -8.799 12.822 -2.158 13 HG3 LYS 2 1HG LYS 2 -7.607 11.834 -3.006 14 HD2 LYS 2 2HD LYS 2 -6.997 10.730 -0.943 15 HD3 LYS 2 1HD LYS 2 -8.074 11.787 -0.026 16 HE2 LYS 2 2HE LYS 2 -8.910 9.799 -2.141 17 HE3 LYS 2 1HE LYS 2 -9.096 9.601 -0.398 18 HZ1 LYS 2 3HZ LYS 2 -11.164 10.327 -1.351 19 HZ2 LYS 2 1HZ LYS 2 -10.415 11.658 -2.089 20 HZ3 LYS 2 2HZ LYS 2 -10.531 11.582 -0.400 21 H GLN 3 H GLN 3 -4.224 14.361 -2.995 22 HA GLN 3 HA GLN 3 -2.435 15.699 -2.610 23 HB2 GLN 3 2HB GLN 3 -3.576 17.052 -4.350 24 HB3 GLN 3 1HB GLN 3 -4.393 17.951 -3.084 25 HG2 GLN 3 2HG GLN 3 -2.248 18.781 -2.275 26 HG3 GLN 3 1HG GLN 3 -1.415 17.858 -3.529 27 HE21 GLN 3 1HE2 GLN 3 -1.483 20.749 -3.044 28 HE22 GLN 3 2HE2 GLN 3 -2.062 21.458 -4.514 29 HA PRO 4 HA PRO 4 -3.795 15.986 1.814 30 HB2 PRO 4 2HB PRO 4 -0.940 15.211 2.130 31 HB3 PRO 4 1HB PRO 4 -2.380 14.551 2.912 32 HG2 PRO 4 2HG PRO 4 -1.161 13.196 0.985 33 HG3 PRO 4 1HG PRO 4 -2.931 13.232 1.083 34 HD2 PRO 4 2HD PRO 4 -1.105 14.733 -0.757 35 HD3 PRO 4 1HD PRO 4 -2.674 13.975 -1.098 36 H THR 5 H THR 5 -0.475 16.913 0.864 37 HA THR 5 HA THR 5 0.712 18.842 1.094 38 HB THR 5 HB THR 5 -1.914 20.207 1.731 39 HG1 THR 5 1HG THR 5 -2.375 19.321 -0.192 40 HG21 THR 5 3HG2 THR 5 0.098 21.586 2.048 41 HG22 THR 5 1HG2 THR 5 -0.860 22.156 0.681 42 HG23 THR 5 2HG2 THR 5 0.609 21.220 0.401 43 H SER 6 H SER 6 -0.495 17.189 3.519 44 HA SER 6 HA SER 6 -0.507 18.995 5.707 45 HB2 SER 6 2HB SER 6 -0.123 16.002 5.823 46 HB3 SER 6 1HB SER 6 -0.783 17.053 7.078 47 HG SER 6 HG SER 6 -2.496 17.550 5.548 48 H ALA 7 H ALA 7 2.006 17.294 4.053 49 HA ALA 7 HA ALA 7 3.864 17.539 6.278 50 HB1 ALA 7 1HB ALA 7 4.311 16.423 3.509 51 HB2 ALA 7 2HB ALA 7 3.918 15.481 4.947 52 HB3 ALA 7 3HB ALA 7 5.452 16.347 4.850 53 H GLU 8 H GLU 8 3.679 19.892 6.270 54 HA GLU 8 HA GLU 8 4.862 21.324 4.049 55 HB2 GLU 8 2HB GLU 8 2.984 22.286 5.335 56 HB3 GLU 8 1HB GLU 8 3.993 22.309 6.775 57 HG2 GLU 8 2HG GLU 8 5.500 23.890 5.721 58 HG3 GLU 8 1HG GLU 8 4.539 23.838 4.243 59 H ASN 9 H ASN 9 5.641 20.705 7.452 60 HA ASN 9 HA ASN 9 8.323 21.788 7.076 61 HB2 ASN 9 2HB ASN 9 8.524 21.577 9.520 62 HB3 ASN 9 1HB ASN 9 7.074 22.471 9.081 63 HD21 ASN 9 1HD2 ASN 9 7.631 21.114 11.542 64 HD22 ASN 9 2HD2 ASN 9 6.399 19.910 11.742 65 H SER 10 H SER 10 7.343 19.252 5.923 66 HA SER 10 HA SER 10 8.193 17.253 5.357 67 HB2 SER 10 2HB SER 10 10.523 18.014 7.124 68 HB3 SER 10 1HB SER 10 10.497 16.661 5.994 69 HG SER 10 HG SER 10 11.151 19.169 5.490 70 H VAL 11 H VAL 11 7.302 18.070 8.407 71 HA VAL 11 HA VAL 11 6.629 17.022 10.286 72 HB VAL 11 HB VAL 11 5.112 15.171 9.989 73 HG11 VAL 11 1HG1 VAL 11 4.332 17.371 9.385 74 HG12 VAL 11 2HG1 VAL 11 3.610 16.158 8.329 75 HG13 VAL 11 3HG1 VAL 11 4.935 17.164 7.741 76 HG21 VAL 11 3HG2 VAL 11 6.417 13.790 8.446 77 HG22 VAL 11 1HG2 VAL 11 6.132 14.955 7.156 78 HG23 VAL 11 2HG2 VAL 11 4.781 14.057 7.849 79 H ALA 12 H ALA 12 6.316 14.382 11.020 80 HA ALA 12 HA ALA 12 9.101 13.523 11.356 81 HB1 ALA 12 1HB ALA 12 7.938 14.116 13.427 82 HB2 ALA 12 2HB ALA 12 8.334 12.397 13.384 83 HB3 ALA 12 3HB ALA 12 6.684 12.932 13.060 84 H LYS 13 H LYS 13 9.711 11.552 10.684 85 HA LYS 13 HA LYS 13 7.738 10.030 9.164 86 HB2 LYS 13 2HB LYS 13 10.756 9.979 9.160 87 HB3 LYS 13 1HB LYS 13 9.753 8.897 8.195 88 HG2 LYS 13 2HG LYS 13 8.736 10.843 7.097 89 HG3 LYS 13 1HG LYS 13 9.785 11.904 8.034 90 HD2 LYS 13 2HD LYS 13 11.743 10.966 6.972 91 HD3 LYS 13 1HD LYS 13 10.748 9.790 6.110 92 HE2 LYS 13 2HE LYS 13 11.358 11.655 4.655 93 HE3 LYS 13 1HE LYS 13 9.615 11.597 4.926 94 HZ1 LYS 13 3HZ LYS 13 11.558 13.449 6.203 95 HZ2 LYS 13 1HZ LYS 13 9.928 13.330 6.649 96 HZ3 LYS 13 2HZ LYS 13 10.339 13.847 5.093 97 H LYS 14 H LYS 14 8.067 9.993 12.109 98 HA LYS 14 HA LYS 14 7.830 7.073 12.286 99 HB2 LYS 14 2HB LYS 14 8.529 7.180 14.657 100 HB3 LYS 14 1HB LYS 14 9.815 7.676 13.573 101 HG2 LYS 14 2HG LYS 14 8.058 9.739 14.830 102 HG3 LYS 14 1HG LYS 14 9.357 8.994 15.762 103 HD2 LYS 14 2HD LYS 14 10.976 9.695 14.065 104 HD3 LYS 14 1HD LYS 14 9.676 10.439 13.129 105 HE2 LYS 14 2HE LYS 14 9.217 11.974 14.966 106 HE3 LYS 14 1HE LYS 14 10.471 11.208 15.937 107 HZ1 LYS 14 3HZ LYS 14 12.146 12.021 14.510 108 HZ2 LYS 14 1HZ LYS 14 11.108 13.333 14.797 109 HZ3 LYS 14 2HZ LYS 14 11.030 12.493 13.324 110 H GLU 15 H GLU 15 5.951 8.857 11.476 111 HA GLU 15 HA GLU 15 4.419 10.149 13.402 112 HB2 GLU 15 2HB GLU 15 2.757 10.424 11.646 113 HB3 GLU 15 1HB GLU 15 4.372 10.726 11.040 114 HG2 GLU 15 2HG GLU 15 2.597 8.362 10.495 115 HG3 GLU 15 1HG GLU 15 3.198 9.562 9.358 116 H ASP 16 H ASP 16 3.469 7.155 11.672 117 HA ASP 16 HA ASP 16 1.623 6.621 13.913 118 HB2 ASP 16 2HB ASP 16 0.673 7.030 11.573 119 HB3 ASP 16 1HB ASP 16 1.393 5.488 11.122 120 H LYS 17 H LYS 17 4.364 5.689 12.343 121 HA LYS 17 HA LYS 17 5.731 3.938 12.288 122 HB2 LYS 17 2HB LYS 17 6.484 3.118 14.396 123 HB3 LYS 17 1HB LYS 17 6.087 4.817 14.556 124 HG2 LYS 17 2HG LYS 17 3.972 2.895 15.290 125 HG3 LYS 17 1HG LYS 17 5.390 2.953 16.336 126 HD2 LYS 17 2HD LYS 17 5.077 5.346 16.649 127 HD3 LYS 17 1HD LYS 17 3.691 5.321 15.556 128 HE2 LYS 17 2HE LYS 17 3.030 5.308 17.935 129 HE3 LYS 17 1HE LYS 17 2.473 3.882 17.060 130 HZ1 LYS 17 3HZ LYS 17 4.340 2.638 17.987 131 HZ2 LYS 17 1HZ LYS 17 3.366 3.281 19.213 132 HZ3 LYS 17 2HZ LYS 17 4.854 4.006 18.842 133 H VAL 18 H VAL 18 5.134 2.419 10.933 134 HA VAL 18 HA VAL 18 3.804 0.076 12.136 135 HB VAL 18 HB VAL 18 3.919 0.712 9.176 136 HG11 VAL 18 1HG1 VAL 18 3.774 -1.672 9.683 137 HG12 VAL 18 2HG1 VAL 18 2.268 -1.086 8.973 138 HG13 VAL 18 3HG1 VAL 18 2.371 -1.376 10.710 139 HG21 VAL 18 3HG2 VAL 18 2.509 2.338 10.348 140 HG22 VAL 18 1HG2 VAL 18 1.601 1.019 11.084 141 HG23 VAL 18 2HG2 VAL 18 1.544 1.262 9.338 142 HA PRO 19 HA PRO 19 8.104 -1.066 11.096 143 HB2 PRO 19 2HB PRO 19 9.006 -1.471 13.597 144 HB3 PRO 19 1HB PRO 19 8.842 0.143 12.903 145 HG2 PRO 19 2HG PRO 19 7.269 -1.133 15.018 146 HG3 PRO 19 1HG PRO 19 7.383 0.580 14.585 147 HD2 PRO 19 2HD PRO 19 5.344 -1.368 13.850 148 HD3 PRO 19 1HD PRO 19 5.337 0.394 13.630 149 H VAL 20 H VAL 20 9.119 -3.000 10.940 150 HA VAL 20 HA VAL 20 9.397 -5.250 10.839 151 HB VAL 20 HB VAL 20 8.842 -5.030 13.785 152 HG11 VAL 20 1HG1 VAL 20 10.520 -6.993 12.224 153 HG12 VAL 20 2HG1 VAL 20 8.982 -7.336 13.017 154 HG13 VAL 20 3HG1 VAL 20 10.399 -6.920 13.981 155 HG21 VAL 20 3HG2 VAL 20 11.240 -4.607 14.032 156 HG22 VAL 20 1HG2 VAL 20 10.454 -3.347 13.082 157 HG23 VAL 20 2HG2 VAL 20 11.415 -4.589 12.277 158 H LYS 21 H LYS 21 7.532 -5.740 9.602 159 HA LYS 21 HA LYS 21 5.438 -7.127 11.132 160 HB2 LYS 21 2HB LYS 21 5.455 -6.091 8.293 161 HB3 LYS 21 1HB LYS 21 4.173 -7.093 8.955 162 HG2 LYS 21 2HG LYS 21 4.949 -4.496 10.241 163 HG3 LYS 21 1HG LYS 21 3.822 -4.558 8.887 164 HD2 LYS 21 2HD LYS 21 2.478 -4.558 10.824 165 HD3 LYS 21 1HD LYS 21 2.483 -6.224 10.257 166 HE2 LYS 21 2HE LYS 21 2.750 -6.295 12.612 167 HE3 LYS 21 1HE LYS 21 4.320 -6.677 11.909 168 HZ1 LYS 21 3HZ LYS 21 4.570 -5.154 13.740 169 HZ2 LYS 21 1HZ LYS 21 3.491 -4.051 13.031 170 HZ3 LYS 21 2HZ LYS 21 4.988 -4.368 12.302 171 H LYS 22 H LYS 22 7.231 -7.423 8.083 172 HA LYS 22 HA LYS 22 8.392 -9.099 7.125 173 HB2 LYS 22 2HB LYS 22 8.352 -10.289 9.894 174 HB3 LYS 22 1HB LYS 22 9.344 -10.872 8.565 175 HG2 LYS 22 2HG LYS 22 10.425 -8.639 8.464 176 HG3 LYS 22 1HG LYS 22 9.505 -8.179 9.900 177 HD2 LYS 22 2HD LYS 22 11.710 -8.883 10.570 178 HD3 LYS 22 1HD LYS 22 10.534 -10.080 11.111 179 HE2 LYS 22 2HE LYS 22 12.455 -11.215 10.196 180 HE3 LYS 22 1HE LYS 22 11.073 -11.452 9.127 181 HZ1 LYS 22 3HZ LYS 22 11.932 -9.734 7.673 182 HZ2 LYS 22 1HZ LYS 22 13.098 -10.945 7.897 183 HZ3 LYS 22 2HZ LYS 22 13.241 -9.463 8.713 184 H GLN 23 H GLN 23 5.336 -9.770 8.426 185 HA GLN 23 HA GLN 23 5.049 -12.491 7.862 186 HB2 GLN 23 2HB GLN 23 3.397 -11.180 9.138 187 HB3 GLN 23 1HB GLN 23 2.939 -10.337 7.666 188 HG2 GLN 23 2HG GLN 23 2.157 -12.416 6.691 189 HG3 GLN 23 1HG GLN 23 2.660 -13.297 8.132 190 HE21 GLN 23 1HE2 GLN 23 0.566 -14.041 8.508 191 HE22 GLN 23 2HE2 GLN 23 -0.676 -12.997 9.118 192 H LYS 24 H LYS 24 4.735 -9.670 5.778 193 HA LYS 24 HA LYS 24 4.103 -11.267 3.461 194 HB2 LYS 24 2HB LYS 24 3.404 -8.858 3.730 195 HB3 LYS 24 1HB LYS 24 5.094 -8.410 3.548 196 HG2 LYS 24 2HG LYS 24 5.008 -9.635 1.318 197 HG3 LYS 24 1HG LYS 24 3.254 -9.621 1.515 198 HD2 LYS 24 2HD LYS 24 3.517 -7.678 0.338 199 HD3 LYS 24 1HD LYS 24 3.688 -7.053 1.976 200 HE2 LYS 24 2HE LYS 24 5.943 -7.785 0.107 201 HE3 LYS 24 1HE LYS 24 5.416 -6.152 0.509 202 HZ1 LYS 24 3HZ LYS 24 7.360 -6.755 1.770 203 HZ2 LYS 24 1HZ LYS 24 6.585 -8.127 2.396 204 HZ3 LYS 24 2HZ LYS 24 6.040 -6.581 2.816 205 H THR 25 H THR 25 5.727 -12.748 3.170 206 HA THR 25 HA THR 25 8.469 -12.139 3.557 207 HB THR 25 HB THR 25 7.723 -14.373 3.967 208 HG1 THR 25 1HG THR 25 9.812 -14.396 3.297 209 HG21 THR 25 3HG2 THR 25 6.982 -14.530 1.044 210 HG22 THR 25 1HG2 THR 25 5.856 -14.497 2.402 211 HG23 THR 25 2HG2 THR 25 6.942 -15.871 2.188 212 H ARG 26 H ARG 26 8.653 -10.302 2.242 213 HA ARG 26 HA ARG 26 9.812 -10.785 -0.322 214 HB2 ARG 26 2HB ARG 26 7.112 -9.468 -0.131 215 HB3 ARG 26 1HB ARG 26 8.250 -8.933 -1.356 216 HG2 ARG 26 2HG ARG 26 7.205 -11.739 -1.032 217 HG3 ARG 26 1HG ARG 26 6.678 -10.565 -2.243 218 HD2 ARG 26 2HD ARG 26 8.804 -10.567 -3.296 219 HD3 ARG 26 1HD ARG 26 9.535 -11.461 -1.965 220 HE ARG 26 HE ARG 26 7.622 -13.149 -2.879 221 HH11 ARG 26 1HH1 ARG 26 10.243 -11.408 -4.424 222 HH12 ARG 26 2HH1 ARG 26 10.533 -12.649 -5.615 223 HH21 ARG 26 1HH2 ARG 26 7.981 -14.766 -4.422 224 HH22 ARG 26 2HH2 ARG 26 9.227 -14.570 -5.620 225 H THR 27 H THR 27 9.839 -8.151 -1.251 226 HA THR 27 HA THR 27 11.637 -6.868 0.490 227 HB THR 27 HB THR 27 11.042 -4.826 -1.032 228 HG1 THR 27 1HG THR 27 10.178 -5.769 -3.101 229 HG21 THR 27 3HG2 THR 27 12.465 -5.726 -2.814 230 HG22 THR 27 1HG2 THR 27 12.224 -7.358 -2.187 231 HG23 THR 27 2HG2 THR 27 13.091 -6.161 -1.224 232 H VAL 28 H VAL 28 11.376 -5.000 1.786 233 HA VAL 28 HA VAL 28 8.611 -4.637 2.731 234 HB VAL 28 HB VAL 28 9.568 -3.986 4.914 235 HG11 VAL 28 1HG1 VAL 28 10.239 -6.226 5.627 236 HG12 VAL 28 2HG1 VAL 28 10.460 -6.696 3.942 237 HG13 VAL 28 3HG1 VAL 28 8.852 -6.286 4.538 238 HG21 VAL 28 3HG2 VAL 28 12.201 -4.851 3.726 239 HG22 VAL 28 1HG2 VAL 28 11.921 -4.401 5.409 240 HG23 VAL 28 2HG2 VAL 28 11.749 -3.196 4.131 241 H PHE 29 H PHE 29 8.200 -2.499 3.769 242 HA PHE 29 HA PHE 29 9.519 -0.354 2.261 243 HB2 PHE 29 2HB PHE 29 6.661 -0.608 3.225 244 HB3 PHE 29 1HB PHE 29 7.343 0.862 2.555 245 HD1 PHE 29 1HD PHE 29 7.919 1.004 0.190 246 HD2 PHE 29 2HD PHE 29 6.078 -2.464 1.822 247 HE1 PHE 29 1HE PHE 29 7.332 0.258 -2.080 248 HE2 PHE 29 2HE PHE 29 5.492 -3.224 -0.445 249 HZ PHE 29 HZ PHE 29 6.117 -1.866 -2.398 250 H SER 30 H SER 30 9.208 1.824 3.433 251 HA SER 30 HA SER 30 10.215 1.532 6.121 252 HB2 SER 30 2HB SER 30 9.537 4.092 4.651 253 HB3 SER 30 1HB SER 30 10.635 3.900 6.020 254 HG SER 30 HG SER 30 10.992 3.231 3.322 255 H SER 31 H SER 31 9.267 3.025 7.854 256 HA SER 31 HA SER 31 6.717 2.144 8.498 257 HB2 SER 31 2HB SER 31 8.296 2.986 10.176 258 HB3 SER 31 1HB SER 31 8.149 4.615 9.517 259 HG SER 31 HG SER 31 6.073 4.731 10.239 260 H THR 32 H THR 32 7.632 5.436 7.429 261 HA THR 32 HA THR 32 5.087 6.515 7.335 262 HB THR 32 HB THR 32 7.348 7.212 5.453 263 HG1 THR 32 1HG THR 32 6.795 8.158 8.102 264 HG21 THR 32 3HG2 THR 32 6.357 9.451 5.510 265 HG22 THR 32 1HG2 THR 32 5.078 8.866 6.576 266 HG23 THR 32 2HG2 THR 32 5.193 8.264 4.922 267 H GLN 33 H GLN 33 6.826 4.680 4.848 268 HA GLN 33 HA GLN 33 5.018 5.052 2.745 269 HB2 GLN 33 2HB GLN 33 6.858 2.743 3.370 270 HB3 GLN 33 1HB GLN 33 5.945 2.876 1.873 271 HG2 GLN 33 2HG GLN 33 7.098 4.915 1.309 272 HG3 GLN 33 1HG GLN 33 7.961 4.889 2.841 273 HE21 GLN 33 1HE2 GLN 33 7.679 3.489 -0.316 274 HE22 GLN 33 2HE2 GLN 33 9.172 2.612 -0.284 275 H LEU 34 H LEU 34 5.204 2.462 5.172 276 HA LEU 34 HA LEU 34 2.880 1.103 4.318 277 HB2 LEU 34 2HB LEU 34 4.247 1.167 7.006 278 HB3 LEU 34 1HB LEU 34 2.966 0.049 6.577 279 HG LEU 34 HG LEU 34 5.671 0.200 5.242 280 HD11 LEU 34 1HD1 LEU 34 6.081 -1.958 6.306 281 HD12 LEU 34 2HD1 LEU 34 4.528 -1.848 7.134 282 HD13 LEU 34 3HD1 LEU 34 5.809 -0.694 7.506 283 HD21 LEU 34 3HD2 LEU 34 3.909 -0.507 3.706 284 HD22 LEU 34 1HD2 LEU 34 3.398 -1.743 4.856 285 HD23 LEU 34 2HD2 LEU 34 4.988 -1.846 4.100 286 H CYS 35 H CYS 35 3.404 3.640 6.743 287 HA CYS 35 HA CYS 35 0.805 3.712 7.787 288 HB2 CYS 35 2HB CYS 35 2.780 5.981 7.470 289 HB3 CYS 35 1HB CYS 35 1.347 6.021 8.490 290 HG CYS 35 HG CYS 35 3.887 5.660 9.871 291 H VAL 36 H VAL 36 2.219 5.428 5.017 292 HA VAL 36 HA VAL 36 -0.089 6.938 4.400 293 HB VAL 36 HB VAL 36 2.210 6.112 2.617 294 HG11 VAL 36 1HG1 VAL 36 1.478 7.865 1.092 295 HG12 VAL 36 2HG1 VAL 36 0.093 8.210 2.129 296 HG13 VAL 36 3HG1 VAL 36 0.205 6.660 1.298 297 HG21 VAL 36 3HG2 VAL 36 2.915 7.509 4.457 298 HG22 VAL 36 1HG2 VAL 36 1.612 8.651 4.136 299 HG23 VAL 36 2HG2 VAL 36 2.924 8.464 2.973 300 H LEU 37 H LEU 37 1.061 3.779 3.251 301 HA LEU 37 HA LEU 37 -0.941 3.258 1.374 302 HB2 LEU 37 2HB LEU 37 0.457 1.345 3.250 303 HB3 LEU 37 1HB LEU 37 -0.530 0.854 1.888 304 HG LEU 37 HG LEU 37 2.020 2.461 1.694 305 HD11 LEU 37 1HD1 LEU 37 1.475 -0.439 1.072 306 HD12 LEU 37 2HD1 LEU 37 2.448 0.174 2.410 307 HD13 LEU 37 3HD1 LEU 37 2.980 0.421 0.746 308 HD21 LEU 37 3HD2 LEU 37 0.444 2.950 -0.106 309 HD22 LEU 37 1HD2 LEU 37 0.293 1.227 -0.448 310 HD23 LEU 37 2HD2 LEU 37 1.834 2.043 -0.704 311 H ASN 38 H ASN 38 -0.859 2.635 4.848 312 HA ASN 38 HA ASN 38 -3.442 1.516 5.070 313 HB2 ASN 38 2HB ASN 38 -1.717 1.274 6.811 314 HB3 ASN 38 1HB ASN 38 -1.790 3.001 7.131 315 HD21 ASN 38 1HD2 ASN 38 -2.345 2.703 9.265 316 HD22 ASN 38 2HD2 ASN 38 -3.906 2.143 9.759 317 H ASP 39 H ASP 39 -2.216 4.808 5.422 318 HA ASP 39 HA ASP 39 -4.532 6.104 6.220 319 HB2 ASP 39 2HB ASP 39 -2.443 7.289 6.219 320 HB3 ASP 39 1HB ASP 39 -2.256 7.070 4.481 321 H ARG 40 H ARG 40 -3.373 5.466 2.933 322 HA ARG 40 HA ARG 40 -5.394 6.674 1.483 323 HB2 ARG 40 2HB ARG 40 -3.500 4.462 0.999 324 HB3 ARG 40 1HB ARG 40 -4.911 4.495 -0.044 325 HG2 ARG 40 2HG ARG 40 -3.118 5.635 -1.129 326 HG3 ARG 40 1HG ARG 40 -4.341 6.817 -0.673 327 HD2 ARG 40 2HD ARG 40 -2.022 6.280 1.132 328 HD3 ARG 40 1HD ARG 40 -1.827 7.329 -0.265 329 HE ARG 40 HE ARG 40 -3.421 7.865 2.128 330 HH11 ARG 40 1HH1 ARG 40 -2.415 8.871 -1.069 331 HH12 ARG 40 2HH1 ARG 40 -2.826 10.543 -0.830 332 HH21 ARG 40 1HH2 ARG 40 -3.934 10.030 2.492 333 HH22 ARG 40 2HH2 ARG 40 -3.711 11.199 1.217 334 H PHE 41 H PHE 41 -5.284 3.354 2.754 335 HA PHE 41 HA PHE 41 -7.900 2.721 1.782 336 HB2 PHE 41 2HB PHE 41 -6.013 1.335 3.675 337 HB3 PHE 41 1HB PHE 41 -7.622 0.704 3.322 338 HD1 PHE 41 1HD PHE 41 -8.061 1.087 0.592 339 HD2 PHE 41 2HD PHE 41 -4.402 0.121 2.535 340 HE1 PHE 41 1HE PHE 41 -7.236 0.105 -1.474 341 HE2 PHE 41 2HE PHE 41 -3.559 -0.884 0.451 342 HZ PHE 41 HZ PHE 41 -4.981 -0.894 -1.567 343 H GLN 42 H GLN 42 -6.676 4.222 4.664 344 HA GLN 42 HA GLN 42 -9.014 3.786 6.255 345 HB2 GLN 42 2HB GLN 42 -6.815 5.841 6.470 346 HB3 GLN 42 1HB GLN 42 -8.124 5.695 7.633 347 HG2 GLN 42 2HG GLN 42 -5.986 3.674 7.019 348 HG3 GLN 42 1HG GLN 42 -6.212 4.584 8.511 349 HE21 GLN 42 1HE2 GLN 42 -7.304 1.932 6.579 350 HE22 GLN 42 2HE2 GLN 42 -8.314 1.201 7.780 351 H ARG 43 H ARG 43 -7.904 6.484 4.216 352 HA ARG 43 HA ARG 43 -10.174 8.109 4.829 353 HB2 ARG 43 2HB ARG 43 -8.426 8.420 2.392 354 HB3 ARG 43 1HB ARG 43 -9.332 9.662 3.243 355 HG2 ARG 43 2HG ARG 43 -6.851 8.249 4.171 356 HG3 ARG 43 1HG ARG 43 -7.031 9.953 3.750 357 HD2 ARG 43 2HD ARG 43 -8.338 10.386 5.669 358 HD3 ARG 43 1HD ARG 43 -8.563 8.666 5.994 359 HE ARG 43 HE ARG 43 -5.812 9.595 6.028 360 HH11 ARG 43 1HH1 ARG 43 -8.689 8.905 7.932 361 HH12 ARG 43 2HH1 ARG 43 -7.792 8.721 9.410 362 HH21 ARG 43 1HH2 ARG 43 -4.667 9.332 7.948 363 HH22 ARG 43 2HH2 ARG 43 -5.516 8.954 9.428 364 H GLN 44 H GLN 44 -9.326 5.894 2.232 365 HA GLN 44 HA GLN 44 -12.165 5.756 1.533 366 HB2 GLN 44 2HB GLN 44 -10.465 7.187 -0.058 367 HB3 GLN 44 1HB GLN 44 -10.300 5.584 -0.760 368 HG2 GLN 44 2HG GLN 44 -12.932 6.977 -0.339 369 HG3 GLN 44 1HG GLN 44 -12.011 7.024 -1.839 370 HE21 GLN 44 1HE2 GLN 44 -11.907 5.208 -3.124 371 HE22 GLN 44 2HE2 GLN 44 -12.967 3.856 -2.911 372 H LYS 45 H LYS 45 -12.794 3.659 1.029 373 HA LYS 45 HA LYS 45 -11.171 1.705 2.259 374 HB2 LYS 45 2HB LYS 45 -12.940 0.099 1.594 375 HB3 LYS 45 1HB LYS 45 -13.545 1.516 2.436 376 HG2 LYS 45 2HG LYS 45 -14.260 2.476 0.304 377 HG3 LYS 45 1HG LYS 45 -13.644 1.051 -0.538 378 HD2 LYS 45 2HD LYS 45 -15.816 1.048 1.560 379 HD3 LYS 45 1HD LYS 45 -16.070 0.929 -0.183 380 HE2 LYS 45 2HE LYS 45 -14.803 -1.151 -0.234 381 HE3 LYS 45 1HE LYS 45 -14.508 -1.027 1.498 382 HZ1 LYS 45 3HZ LYS 45 -16.335 -2.544 0.888 383 HZ2 LYS 45 1HZ LYS 45 -17.207 -1.223 0.278 384 HZ3 LYS 45 2HZ LYS 45 -16.822 -1.298 1.931 385 H TYR 46 H TYR 46 -11.439 2.682 -1.043 386 HA TYR 46 HA TYR 46 -9.390 0.698 -1.696 387 HB2 TYR 46 2HB TYR 46 -11.849 1.241 -3.377 388 HB3 TYR 46 1HB TYR 46 -10.431 0.374 -3.959 389 HD1 TYR 46 2HD TYR 46 -9.673 -1.527 -2.094 390 HD2 TYR 46 1HD TYR 46 -13.619 -0.124 -2.843 391 HE1 TYR 46 2HE TYR 46 -10.589 -3.623 -1.183 392 HE2 TYR 46 1HE TYR 46 -14.544 -2.211 -1.927 393 HH TYR 46 HH TYR 46 -12.625 -4.487 -0.221 394 H LEU 47 H LEU 47 -8.338 1.271 -3.860 395 HA LEU 47 HA LEU 47 -7.686 4.093 -3.693 396 HB2 LEU 47 2HB LEU 47 -6.377 1.828 -5.192 397 HB3 LEU 47 1HB LEU 47 -5.832 3.491 -5.264 398 HG LEU 47 HG LEU 47 -5.913 1.797 -2.770 399 HD11 LEU 47 1HD1 LEU 47 -3.466 1.835 -2.938 400 HD12 LEU 47 2HD1 LEU 47 -3.588 2.689 -4.476 401 HD13 LEU 47 3HD1 LEU 47 -4.201 1.041 -4.332 402 HD21 LEU 47 3HD2 LEU 47 -4.668 3.640 -1.755 403 HD22 LEU 47 1HD2 LEU 47 -6.258 4.163 -2.313 404 HD23 LEU 47 2HD2 LEU 47 -4.820 4.564 -3.251 405 H SER 48 H SER 48 -8.366 5.550 -5.047 406 HA SER 48 HA SER 48 -9.823 4.831 -7.434 407 HB2 SER 48 2HB SER 48 -10.665 6.646 -5.998 408 HB3 SER 48 1HB SER 48 -9.158 7.532 -6.215 409 HG SER 48 HG SER 48 -11.339 7.314 -7.872 410 H LEU 49 H LEU 49 -9.233 6.490 -9.327 411 HA LEU 49 HA LEU 49 -6.741 5.603 -10.328 412 HB2 LEU 49 2HB LEU 49 -8.844 7.530 -11.269 413 HB3 LEU 49 1HB LEU 49 -7.330 7.393 -12.114 414 HG LEU 49 HG LEU 49 -8.953 6.067 -13.265 415 HD11 LEU 49 1HD1 LEU 49 -7.121 4.267 -11.692 416 HD12 LEU 49 2HD1 LEU 49 -6.710 5.141 -13.168 417 HD13 LEU 49 3HD1 LEU 49 -7.923 3.862 -13.212 418 HD21 LEU 49 3HD2 LEU 49 -9.443 4.657 -10.644 419 HD22 LEU 49 1HD2 LEU 49 -10.159 4.229 -12.199 420 HD23 LEU 49 2HD2 LEU 49 -10.546 5.776 -11.445 421 H GLN 50 H GLN 50 -7.962 8.551 -8.934 422 HA GLN 50 HA GLN 50 -5.608 10.088 -9.281 423 HB2 GLN 50 2HB GLN 50 -8.089 10.354 -7.606 424 HB3 GLN 50 1HB GLN 50 -6.770 11.495 -7.462 425 HG2 GLN 50 2HG GLN 50 -8.432 12.405 -8.919 426 HG3 GLN 50 1HG GLN 50 -6.997 12.019 -9.861 427 HE21 GLN 50 1HE2 GLN 50 -8.112 11.913 -11.779 428 HE22 GLN 50 2HE2 GLN 50 -9.191 10.614 -12.165 429 H GLN 51 H GLN 51 -6.909 8.086 -6.680 430 HA GLN 51 HA GLN 51 -5.043 8.860 -4.714 431 HB2 GLN 51 2HB GLN 51 -6.699 6.351 -4.970 432 HB3 GLN 51 1HB GLN 51 -5.782 6.797 -3.544 433 HG2 GLN 51 2HG GLN 51 -7.141 8.779 -3.249 434 HG3 GLN 51 1HG GLN 51 -8.030 8.404 -4.725 435 HE21 GLN 51 1HE2 GLN 51 -7.005 5.979 -2.424 436 HE22 GLN 51 2HE2 GLN 51 -8.592 5.559 -1.876 437 H MET 52 H MET 52 -5.092 6.170 -7.041 438 HA MET 52 HA MET 52 -2.774 4.920 -5.998 439 HB2 MET 52 2HB MET 52 -2.759 3.590 -8.034 440 HB3 MET 52 1HB MET 52 -4.390 3.716 -7.392 441 HG2 MET 52 2HG MET 52 -4.880 5.458 -9.057 442 HG3 MET 52 1HG MET 52 -3.261 5.250 -9.720 443 HE1 MET 52 3HE MET 52 -5.757 2.478 -8.372 444 HE2 MET 52 1HE MET 52 -6.581 2.048 -9.871 445 HE3 MET 52 2HE MET 52 -6.786 3.660 -9.183 446 H GLN 53 H GLN 53 -3.226 7.351 -8.547 447 HA GLN 53 HA GLN 53 -0.488 7.297 -9.360 448 HB2 GLN 53 2HB GLN 53 -1.001 9.339 -10.616 449 HB3 GLN 53 1HB GLN 53 -2.207 8.094 -10.895 450 HG2 GLN 53 2HG GLN 53 -3.692 9.225 -9.281 451 HG3 GLN 53 1HG GLN 53 -2.496 10.509 -9.124 452 HE21 GLN 53 1HE2 GLN 53 -3.120 8.913 -12.160 453 HE22 GLN 53 2HE2 GLN 53 -3.908 10.250 -12.929 454 H GLU 54 H GLU 54 -2.355 9.172 -7.042 455 HA GLU 54 HA GLU 54 -0.348 11.002 -6.310 456 HB2 GLU 54 2HB GLU 54 -2.758 11.144 -5.638 457 HB3 GLU 54 1HB GLU 54 -2.486 9.814 -4.523 458 HG2 GLU 54 2HG GLU 54 -0.848 11.174 -3.311 459 HG3 GLU 54 1HG GLU 54 -1.153 12.511 -4.418 460 H LEU 55 H LEU 55 -1.254 7.842 -4.982 461 HA LEU 55 HA LEU 55 0.596 7.682 -2.930 462 HB2 LEU 55 2HB LEU 55 -1.363 6.157 -3.410 463 HB3 LEU 55 1HB LEU 55 -0.362 5.367 -4.606 464 HG LEU 55 HG LEU 55 -0.576 4.215 -2.361 465 HD11 LEU 55 1HD1 LEU 55 2.200 4.899 -3.309 466 HD12 LEU 55 2HD1 LEU 55 1.174 3.607 -3.935 467 HD13 LEU 55 3HD1 LEU 55 1.768 3.537 -2.276 468 HD21 LEU 55 3HD2 LEU 55 -0.406 6.171 -0.938 469 HD22 LEU 55 1HD2 LEU 55 1.234 6.467 -1.513 470 HD23 LEU 55 2HD2 LEU 55 0.880 5.021 -0.566 471 H SER 56 H SER 56 0.891 6.490 -6.256 472 HA SER 56 HA SER 56 3.461 5.448 -5.995 473 HB2 SER 56 2HB SER 56 3.572 5.732 -8.523 474 HB3 SER 56 1HB SER 56 2.213 4.795 -7.908 475 HG SER 56 HG SER 56 1.890 7.557 -8.295 476 H ASN 57 H ASN 57 2.419 8.734 -6.713 477 HA ASN 57 HA ASN 57 5.015 9.612 -7.542 478 HB2 ASN 57 2HB ASN 57 2.930 10.723 -8.298 479 HB3 ASN 57 1HB ASN 57 2.647 11.277 -6.651 480 HD21 ASN 57 1HD2 ASN 57 4.602 11.640 -9.512 481 HD22 ASN 57 2HD2 ASN 57 5.329 13.145 -9.061 482 H ILE 58 H ILE 58 3.283 9.505 -4.487 483 HA ILE 58 HA ILE 58 5.046 11.286 -3.120 484 HB ILE 58 HB ILE 58 3.258 9.171 -1.906 485 HG12 ILE 58 2HG1 ILE 58 2.709 12.041 -2.668 486 HG13 ILE 58 1HG1 ILE 58 1.917 10.608 -3.297 487 HG21 ILE 58 1HG2 ILE 58 4.943 10.035 -0.369 488 HG22 ILE 58 2HG2 ILE 58 3.336 10.597 0.089 489 HG23 ILE 58 3HG2 ILE 58 4.448 11.689 -0.735 490 HD11 ILE 58 3HD1 ILE 58 0.912 10.190 -1.119 491 HD12 ILE 58 1HD1 ILE 58 0.489 11.788 -1.730 492 HD13 ILE 58 2HD1 ILE 58 1.713 11.623 -0.471 493 H LEU 59 H LEU 59 4.819 7.756 -3.415 494 HA LEU 59 HA LEU 59 7.109 7.469 -1.638 495 HB2 LEU 59 2HB LEU 59 5.450 5.321 -2.956 496 HB3 LEU 59 1HB LEU 59 6.650 5.079 -1.701 497 HG LEU 59 HG LEU 59 3.976 6.445 -1.436 498 HD11 LEU 59 1HD1 LEU 59 3.552 4.688 0.198 499 HD12 LEU 59 2HD1 LEU 59 5.145 4.004 -0.121 500 HD13 LEU 59 3HD1 LEU 59 3.920 4.014 -1.390 501 HD21 LEU 59 3HD2 LEU 59 5.539 7.739 -0.142 502 HD22 LEU 59 1HD2 LEU 59 6.226 6.276 0.560 503 HD23 LEU 59 2HD2 LEU 59 4.575 6.747 0.950 504 H ASN 60 H ASN 60 6.759 8.124 -4.765 505 HA ASN 60 HA ASN 60 7.965 7.907 -6.665 506 HB2 ASN 60 2HB ASN 60 9.764 8.718 -5.099 507 HB3 ASN 60 1HB ASN 60 10.248 7.038 -4.881 508 HD21 ASN 60 1HD2 ASN 60 12.301 7.540 -5.728 509 HD22 ASN 60 2HD2 ASN 60 12.545 7.744 -7.434 510 H LEU 61 H LEU 61 6.347 5.845 -6.133 511 HA LEU 61 HA LEU 61 7.853 3.443 -6.937 512 HB2 LEU 61 2HB LEU 61 6.475 3.308 -4.834 513 HB3 LEU 61 1HB LEU 61 5.052 3.610 -5.809 514 HG LEU 61 HG LEU 61 5.479 1.513 -7.048 515 HD11 LEU 61 1HD1 LEU 61 7.887 1.384 -6.773 516 HD12 LEU 61 2HD1 LEU 61 7.119 -0.079 -6.157 517 HD13 LEU 61 3HD1 LEU 61 7.695 1.157 -5.036 518 HD21 LEU 61 3HD2 LEU 61 3.980 1.547 -5.110 519 HD22 LEU 61 1HD2 LEU 61 5.343 1.176 -4.056 520 HD23 LEU 61 2HD2 LEU 61 4.816 0.003 -5.263 521 H SER 62 H SER 62 6.493 2.030 -8.459 522 HA SER 62 HA SER 62 5.864 3.655 -10.729 523 HB2 SER 62 2HB SER 62 7.034 1.608 -11.138 524 HB3 SER 62 1HB SER 62 5.840 0.675 -10.236 525 HG SER 62 HG SER 62 5.460 2.032 -12.708 526 H TYR 63 H TYR 63 3.915 4.163 -11.512 527 HA TYR 63 HA TYR 63 1.552 4.013 -10.032 528 HB2 TYR 63 2HB TYR 63 1.684 5.646 -11.747 529 HB3 TYR 63 1HB TYR 63 2.136 4.456 -12.957 530 HD1 TYR 63 2HD TYR 63 -0.712 5.576 -10.839 531 HD2 TYR 63 1HD TYR 63 0.524 3.462 -14.317 532 HE1 TYR 63 2HE TYR 63 -3.056 5.403 -11.566 533 HE2 TYR 63 1HE TYR 63 -1.813 3.283 -15.050 534 HH TYR 63 HH TYR 63 -4.336 5.080 -13.587 535 H LYS 64 H LYS 64 2.976 1.868 -12.379 536 HA LYS 64 HA LYS 64 0.737 0.159 -12.699 537 HB2 LYS 64 2HB LYS 64 3.654 -0.484 -13.130 538 HB3 LYS 64 1HB LYS 64 2.270 -1.285 -13.853 539 HG2 LYS 64 2HG LYS 64 1.704 0.789 -15.043 540 HG3 LYS 64 1HG LYS 64 3.141 1.547 -14.355 541 HD2 LYS 64 2HD LYS 64 4.513 -0.227 -15.453 542 HD3 LYS 64 1HD LYS 64 3.045 -0.802 -16.247 543 HE2 LYS 64 2HE LYS 64 2.762 1.489 -17.201 544 HE3 LYS 64 1HE LYS 64 4.345 1.898 -16.543 545 HZ1 LYS 64 3HZ LYS 64 3.740 -0.164 -18.589 546 HZ2 LYS 64 1HZ LYS 64 5.267 0.046 -17.876 547 HZ3 LYS 64 2HZ LYS 64 4.596 1.285 -18.817 548 H GLN 65 H GLN 65 3.572 0.205 -10.594 549 HA GLN 65 HA GLN 65 3.088 -2.320 -9.396 550 HB2 GLN 65 2HB GLN 65 4.680 0.082 -8.511 551 HB3 GLN 65 1HB GLN 65 4.584 -1.384 -7.550 552 HG2 GLN 65 2HG GLN 65 5.645 -1.195 -10.360 553 HG3 GLN 65 1HG GLN 65 6.615 -1.307 -8.893 554 HE21 GLN 65 1HE2 GLN 65 4.564 -3.019 -11.111 555 HE22 GLN 65 2HE2 GLN 65 4.918 -4.607 -10.519 556 H VAL 66 H VAL 66 2.162 1.000 -8.534 557 HA VAL 66 HA VAL 66 0.967 0.344 -6.054 558 HB VAL 66 HB VAL 66 0.353 2.656 -7.906 559 HG11 VAL 66 1HG1 VAL 66 -0.391 2.271 -5.006 560 HG12 VAL 66 2HG1 VAL 66 -1.511 2.235 -6.368 561 HG13 VAL 66 3HG1 VAL 66 -0.665 3.728 -5.962 562 HG21 VAL 66 3HG2 VAL 66 2.105 2.439 -5.467 563 HG22 VAL 66 1HG2 VAL 66 1.765 3.924 -6.354 564 HG23 VAL 66 2HG2 VAL 66 2.653 2.614 -7.133 565 H LYS 67 H LYS 67 -0.367 0.680 -9.311 566 HA LYS 67 HA LYS 67 -3.038 0.117 -8.693 567 HB2 LYS 67 2HB LYS 67 -2.785 1.083 -10.762 568 HB3 LYS 67 1HB LYS 67 -1.352 0.147 -11.142 569 HG2 LYS 67 2HG LYS 67 -3.969 -1.263 -11.016 570 HG3 LYS 67 1HG LYS 67 -3.620 -0.231 -12.407 571 HD2 LYS 67 2HD LYS 67 -1.477 -1.482 -12.701 572 HD3 LYS 67 1HD LYS 67 -1.996 -2.579 -11.422 573 HE2 LYS 67 2HE LYS 67 -4.015 -3.091 -12.784 574 HE3 LYS 67 1HE LYS 67 -3.324 -2.121 -14.084 575 HZ1 LYS 67 3HZ LYS 67 -2.181 -4.594 -12.904 576 HZ2 LYS 67 1HZ LYS 67 -1.366 -3.613 -14.024 577 HZ3 LYS 67 2HZ LYS 67 -2.801 -4.403 -14.470 578 H THR 68 H THR 68 -0.369 -2.021 -9.516 579 HA THR 68 HA THR 68 -1.969 -4.375 -9.721 580 HB THR 68 HB THR 68 1.026 -4.077 -9.354 581 HG1 THR 68 1HG THR 68 0.583 -3.245 -11.317 582 HG21 THR 68 3HG2 THR 68 1.163 -6.369 -10.227 583 HG22 THR 68 1HG2 THR 68 -0.599 -6.472 -10.226 584 HG23 THR 68 2HG2 THR 68 0.276 -6.310 -8.704 585 H TRP 69 H TRP 69 -0.157 -2.788 -7.167 586 HA TRP 69 HA TRP 69 -0.046 -4.865 -5.309 587 HB2 TRP 69 2HB TRP 69 0.418 -2.013 -5.347 588 HB3 TRP 69 1HB TRP 69 -0.359 -2.498 -3.844 589 HD1 TRP 69 HD TRP 69 2.848 -3.116 -5.874 590 HE1 TRP 69 1HE TRP 69 4.651 -4.022 -4.276 591 HE3 TRP 69 3HE TRP 69 -0.007 -3.686 -1.680 592 HZ2 TRP 69 2HZ TRP 69 4.831 -4.876 -1.588 593 HZ3 TRP 69 3HZ TRP 69 1.050 -4.555 0.360 594 HH2 TRP 69 HH TRP 69 3.419 -5.138 0.406 595 H PHE 70 H PHE 70 -2.448 -2.220 -5.545 596 HA PHE 70 HA PHE 70 -3.954 -3.291 -3.381 597 HB2 PHE 70 2HB PHE 70 -5.332 -1.449 -3.542 598 HB3 PHE 70 1HB PHE 70 -3.859 -0.830 -4.271 599 HD1 PHE 70 2HD PHE 70 -3.741 -0.431 -6.675 600 HD2 PHE 70 1HD PHE 70 -7.327 -1.774 -4.823 601 HE1 PHE 70 2HE PHE 70 -5.015 0.232 -8.672 602 HE2 PHE 70 1HE PHE 70 -8.613 -1.115 -6.815 603 HZ PHE 70 HZ PHE 70 -7.453 -0.109 -8.746 604 H GLN 71 H GLN 71 -4.089 -3.657 -6.874 605 HA GLN 71 HA GLN 71 -6.685 -4.777 -6.966 606 HB2 GLN 71 2HB GLN 71 -4.336 -5.014 -8.831 607 HB3 GLN 71 1HB GLN 71 -5.868 -5.822 -9.144 608 HG2 GLN 71 2HG GLN 71 -6.977 -3.591 -9.019 609 HG3 GLN 71 1HG GLN 71 -5.373 -2.865 -8.924 610 HE21 GLN 71 1HE2 GLN 71 -7.401 -2.505 -10.935 611 HE22 GLN 71 2HE2 GLN 71 -6.705 -2.990 -12.440 612 H ASN 72 H ASN 72 -3.484 -6.325 -6.762 613 HA ASN 72 HA ASN 72 -4.501 -8.954 -6.897 614 HB2 ASN 72 2HB ASN 72 -1.855 -7.795 -6.129 615 HB3 ASN 72 1HB ASN 72 -2.185 -9.491 -5.793 616 HD21 ASN 72 1HD2 ASN 72 -0.254 -8.305 -7.615 617 HD22 ASN 72 2HD2 ASN 72 -0.619 -8.938 -9.181 618 H GLN 73 H GLN 73 -3.892 -6.783 -4.199 619 HA GLN 73 HA GLN 73 -4.206 -8.670 -2.134 620 HB2 GLN 73 2HB GLN 73 -4.818 -5.712 -2.218 621 HB3 GLN 73 1HB GLN 73 -4.929 -6.681 -0.755 622 HG2 GLN 73 2HG GLN 73 -2.447 -6.230 -2.398 623 HG3 GLN 73 1HG GLN 73 -2.831 -5.462 -0.859 624 HE21 GLN 73 1HE2 GLN 73 -1.802 -8.382 -2.428 625 HE22 GLN 73 2HE2 GLN 73 -1.328 -9.225 -0.998 626 H ARG 74 H ARG 74 -6.619 -6.480 -3.617 627 HA ARG 74 HA ARG 74 -8.761 -7.770 -2.253 628 HB2 ARG 74 2HB ARG 74 -10.268 -6.407 -3.628 629 HB3 ARG 74 1HB ARG 74 -9.024 -5.452 -2.848 630 HG2 ARG 74 2HG ARG 74 -9.103 -4.511 -4.931 631 HG3 ARG 74 1HG ARG 74 -7.800 -5.678 -5.134 632 HD2 ARG 74 2HD ARG 74 -9.064 -7.069 -6.457 633 HD3 ARG 74 1HD ARG 74 -10.588 -6.516 -5.766 634 HE ARG 74 HE ARG 74 -10.202 -4.403 -7.042 635 HH11 ARG 74 1HH1 ARG 74 -8.696 -7.382 -8.088 636 HH12 ARG 74 2HH1 ARG 74 -8.626 -6.910 -9.761 637 HH21 ARG 74 1HH2 ARG 74 -10.145 -3.793 -9.236 638 HH22 ARG 74 2HH2 ARG 74 -9.447 -4.871 -10.404 639 H MET 75 H MET 75 -7.000 -8.557 -5.085 640 HA MET 75 HA MET 75 -8.958 -10.050 -6.466 641 HB2 MET 75 2HB MET 75 -5.966 -10.215 -6.324 642 HB3 MET 75 1HB MET 75 -6.875 -11.466 -7.161 643 HG2 MET 75 2HG MET 75 -6.903 -8.527 -7.785 644 HG3 MET 75 1HG MET 75 -6.075 -9.782 -8.701 645 HE1 MET 75 3HE MET 75 -8.289 -12.149 -8.537 646 HE2 MET 75 1HE MET 75 -7.369 -11.754 -9.988 647 HE3 MET 75 2HE MET 75 -9.126 -11.875 -10.065 648 H LYS 76 H LYS 76 -6.614 -11.019 -3.978 649 HA LYS 76 HA LYS 76 -7.532 -13.707 -3.841 650 HB2 LYS 76 2HB LYS 76 -5.950 -12.073 -1.850 651 HB3 LYS 76 1HB LYS 76 -6.271 -13.792 -1.679 652 HG2 LYS 76 2HG LYS 76 -4.644 -12.442 -3.818 653 HG3 LYS 76 1HG LYS 76 -4.072 -13.525 -2.547 654 HD2 LYS 76 2HD LYS 76 -5.623 -15.273 -3.580 655 HD3 LYS 76 1HD LYS 76 -5.726 -14.186 -4.967 656 HE2 LYS 76 2HE LYS 76 -4.012 -15.740 -5.462 657 HE3 LYS 76 1HE LYS 76 -3.207 -14.229 -5.038 658 HZ1 LYS 76 3HZ LYS 76 -2.886 -15.126 -2.775 659 HZ2 LYS 76 1HZ LYS 76 -2.106 -16.062 -3.961 660 HZ3 LYS 76 2HZ LYS 76 -3.565 -16.596 -3.280 661 H SER 77 H SER 77 -8.379 -10.760 -2.162 662 HA SER 77 HA SER 77 -9.889 -11.971 -0.088 663 HB2 SER 77 2HB SER 77 -10.094 -9.159 -1.191 664 HB3 SER 77 1HB SER 77 -10.681 -9.710 0.378 665 HG SER 77 HG SER 77 -7.979 -9.617 -0.503 666 H LYS 78 H LYS 78 -10.609 -11.127 -3.378 667 HA LYS 78 HA LYS 78 -13.472 -11.446 -2.936 668 HB2 LYS 78 2HB LYS 78 -12.600 -9.572 -4.353 669 HB3 LYS 78 1HB LYS 78 -12.022 -10.768 -5.504 670 HG2 LYS 78 2HG LYS 78 -14.903 -10.693 -4.704 671 HG3 LYS 78 1HG LYS 78 -14.278 -9.594 -5.931 672 HD2 LYS 78 2HD LYS 78 -13.868 -11.287 -7.432 673 HD3 LYS 78 1HD LYS 78 -13.685 -12.505 -6.171 674 HE2 LYS 78 2HE LYS 78 -16.285 -11.210 -6.983 675 HE3 LYS 78 1HE LYS 78 -15.744 -12.811 -7.487 676 HZ1 LYS 78 3HZ LYS 78 -17.246 -13.028 -5.647 677 HZ2 LYS 78 1HZ LYS 78 -16.348 -11.936 -4.709 678 HZ3 LYS 78 2HZ LYS 78 -15.690 -13.442 -5.112 679 H ARG 79 H ARG 79 -10.789 -12.959 -4.662 680 HA ARG 79 HA ARG 79 -12.367 -14.862 -6.035 681 HB2 ARG 79 2HB ARG 79 -9.876 -14.072 -6.390 682 HB3 ARG 79 1HB ARG 79 -9.515 -15.419 -5.323 683 HG2 ARG 79 2HG ARG 79 -11.107 -15.677 -7.868 684 HG3 ARG 79 1HG ARG 79 -9.366 -15.935 -7.758 685 HD2 ARG 79 2HD ARG 79 -9.709 -17.750 -6.186 686 HD3 ARG 79 1HD ARG 79 -11.446 -17.456 -6.192 687 HE ARG 79 HE ARG 79 -10.926 -17.916 -8.801 688 HH11 ARG 79 1HH1 ARG 79 -10.132 -19.659 -5.873 689 HH12 ARG 79 2HH1 ARG 79 -10.113 -21.219 -6.638 690 HH21 ARG 79 1HH2 ARG 79 -10.927 -19.981 -9.821 691 HH22 ARG 79 2HH2 ARG 79 -10.561 -21.398 -8.881 692 H TRP 80 H TRP 80 -10.643 -14.948 -2.930 693 HA TRP 80 HA TRP 80 -11.619 -17.643 -2.446 694 HB2 TRP 80 2HB TRP 80 -9.339 -16.858 -1.672 695 HB3 TRP 80 1HB TRP 80 -10.170 -15.835 -0.504 696 HD1 TRP 80 HD TRP 80 -10.364 -19.599 -1.452 697 HE1 TRP 80 1HE TRP 80 -10.455 -20.967 0.722 698 HE3 TRP 80 3HE TRP 80 -10.210 -15.753 1.921 699 HZ2 TRP 80 2HZ TRP 80 -10.449 -20.478 3.504 700 HZ3 TRP 80 3HZ TRP 80 -10.252 -16.295 4.324 701 HH2 TRP 80 HH TRP 80 -10.371 -18.612 5.095 702 H GLN 81 H GLN 81 -13.774 -17.572 -2.260 703 HA GLN 81 HA GLN 81 -14.928 -15.702 -0.309 704 HB2 GLN 81 2HB GLN 81 -15.603 -15.178 -2.596 705 HB3 GLN 81 1HB GLN 81 -16.131 -16.834 -2.843 706 HG2 GLN 81 2HG GLN 81 -17.905 -16.541 -1.224 707 HG3 GLN 81 1HG GLN 81 -17.345 -14.904 -0.881 708 HE21 GLN 81 1HE2 GLN 81 -19.918 -15.903 -1.941 709 HE22 GLN 81 2HE2 GLN 81 -20.165 -15.054 -3.425 710 H LYS 82 H LYS 82 -14.723 -17.103 1.416 711 HA LYS 82 HA LYS 82 -15.386 -18.675 2.895 712 HB2 LYS 82 2HB LYS 82 -17.668 -18.633 1.005 713 HB3 LYS 82 1HB LYS 82 -17.553 -20.020 2.080 714 HG2 LYS 82 2HG LYS 82 -17.911 -18.772 3.962 715 HG3 LYS 82 1HG LYS 82 -17.284 -17.292 3.236 716 HD2 LYS 82 2HD LYS 82 -19.805 -18.527 2.197 717 HD3 LYS 82 1HD LYS 82 -19.836 -17.537 3.658 718 HE2 LYS 82 2HE LYS 82 -18.869 -15.672 2.451 719 HE3 LYS 82 1HE LYS 82 -18.722 -16.658 0.998 720 HZ1 LYS 82 3HZ LYS 82 -20.718 -15.065 1.268 721 HZ2 LYS 82 1HZ LYS 82 -21.360 -16.285 2.252 722 HZ3 LYS 82 2HZ LYS 82 -20.974 -16.616 0.632 723 H ASN 83 H ASN 83 -14.857 -20.734 3.385 724 HA ASN 83 HA ASN 83 -13.344 -22.171 1.442 725 HB2 ASN 83 2HB ASN 83 -12.839 -22.121 3.915 726 HB3 ASN 83 1HB ASN 83 -14.237 -23.166 4.157 727 HD21 ASN 83 1HD2 ASN 83 -12.976 -24.823 4.998 728 HD22 ASN 83 2HD2 ASN 83 -11.927 -25.781 4.000 729 H ASN 84 H ASN 84 -13.705 -24.392 0.822 730 HA ASN 84 HA ASN 84 -14.909 -26.011 -0.206 731 HB2 ASN 84 2HB ASN 84 -15.857 -26.277 2.154 732 HB3 ASN 84 1HB ASN 84 -17.234 -25.330 1.603 733 HD21 ASN 84 1HD2 ASN 84 -17.144 -28.071 2.548 734 HD22 ASN 84 2HD2 ASN 84 -17.780 -29.049 1.272 Start of MODEL 15 1 H1 SER 1 H1 SER 1 -8.213 15.075 -3.533 2 H2 SER 1 H2 SER 1 -8.616 13.618 -4.300 3 H3 SER 1 H3 SER 1 -8.723 15.084 -5.147 4 HA SER 1 HA SER 1 -6.237 13.871 -4.109 5 HB2 SER 1 2HB SER 1 -5.818 13.769 -6.695 6 HB3 SER 1 1HB SER 1 -6.791 12.520 -5.917 7 HG SER 1 HG SER 1 -7.489 14.193 -7.875 8 H LYS 2 H LYS 2 -4.696 15.270 -3.789 9 HA LYS 2 HA LYS 2 -4.400 17.663 -5.396 10 HB2 LYS 2 2HB LYS 2 -5.008 17.760 -2.439 11 HB3 LYS 2 1HB LYS 2 -4.173 19.064 -3.262 12 HG2 LYS 2 2HG LYS 2 -6.095 19.454 -4.676 13 HG3 LYS 2 1HG LYS 2 -6.929 18.075 -3.958 14 HD2 LYS 2 2HD LYS 2 -7.693 20.208 -3.012 15 HD3 LYS 2 1HD LYS 2 -6.942 19.176 -1.795 16 HE2 LYS 2 2HE LYS 2 -6.198 21.457 -1.505 17 HE3 LYS 2 1HE LYS 2 -4.852 20.452 -2.037 18 HZ1 LYS 2 3HZ LYS 2 -4.923 22.589 -3.186 19 HZ2 LYS 2 1HZ LYS 2 -6.465 22.224 -3.797 20 HZ3 LYS 2 2HZ LYS 2 -5.118 21.303 -4.276 21 H GLN 3 H GLN 3 -3.343 16.727 -2.185 22 HA GLN 3 HA GLN 3 -0.896 15.562 -2.957 23 HB2 GLN 3 2HB GLN 3 -0.372 17.999 -3.366 24 HB3 GLN 3 1HB GLN 3 -0.647 18.283 -1.652 25 HG2 GLN 3 2HG GLN 3 1.156 16.663 -1.141 26 HG3 GLN 3 1HG GLN 3 1.474 16.530 -2.869 27 HE21 GLN 3 1HE2 GLN 3 0.571 19.502 -1.258 28 HE22 GLN 3 2HE2 GLN 3 2.095 20.298 -1.456 29 HA PRO 4 HA PRO 4 -2.676 14.490 1.136 30 HB2 PRO 4 2HB PRO 4 -1.977 11.856 0.986 31 HB3 PRO 4 1HB PRO 4 -3.481 12.507 0.328 32 HG2 PRO 4 2HG PRO 4 -0.933 11.834 -1.070 33 HG3 PRO 4 1HG PRO 4 -2.604 11.578 -1.600 34 HD2 PRO 4 2HD PRO 4 -1.073 13.616 -2.520 35 HD3 PRO 4 1HD PRO 4 -2.834 13.740 -2.347 36 H THR 5 H THR 5 -1.682 14.025 3.073 37 HA THR 5 HA THR 5 -0.022 13.802 4.603 38 HB THR 5 HB THR 5 1.947 13.174 2.406 39 HG1 THR 5 1HG THR 5 0.872 11.395 2.069 40 HG21 THR 5 3HG2 THR 5 3.055 11.884 4.173 41 HG22 THR 5 1HG2 THR 5 1.788 12.347 5.309 42 HG23 THR 5 2HG2 THR 5 2.868 13.574 4.647 43 H SER 6 H SER 6 -0.264 16.028 4.940 44 HA SER 6 HA SER 6 1.811 17.717 3.713 45 HB2 SER 6 2HB SER 6 0.375 19.612 4.666 46 HB3 SER 6 1HB SER 6 -0.309 18.702 3.319 47 HG SER 6 HG SER 6 -1.035 17.453 5.539 48 H ALA 7 H ALA 7 0.367 16.694 6.726 49 HA ALA 7 HA ALA 7 2.902 16.903 8.060 50 HB1 ALA 7 1HB ALA 7 2.085 19.180 8.410 51 HB2 ALA 7 2HB ALA 7 2.087 18.281 9.927 52 HB3 ALA 7 3HB ALA 7 0.574 18.550 9.061 53 H GLU 8 H GLU 8 -0.257 17.052 9.590 54 HA GLU 8 HA GLU 8 -1.543 15.531 10.681 55 HB2 GLU 8 2HB GLU 8 -0.511 13.876 8.378 56 HB3 GLU 8 1HB GLU 8 -1.724 13.281 9.501 57 HG2 GLU 8 2HG GLU 8 -2.774 14.102 7.490 58 HG3 GLU 8 1HG GLU 8 -3.215 15.110 8.864 59 H ASN 9 H ASN 9 1.156 15.825 11.672 60 HA ASN 9 HA ASN 9 2.174 13.198 12.286 61 HB2 ASN 9 2HB ASN 9 3.043 15.922 13.274 62 HB3 ASN 9 1HB ASN 9 3.894 14.418 13.589 63 HD21 ASN 9 1HD2 ASN 9 4.996 13.401 11.903 64 HD22 ASN 9 2HD2 ASN 9 5.417 14.234 10.447 65 H SER 10 H SER 10 -0.334 13.203 13.232 66 HA SER 10 HA SER 10 -0.275 13.858 16.063 67 HB2 SER 10 2HB SER 10 -2.345 14.226 14.712 68 HB3 SER 10 1HB SER 10 -2.468 12.484 14.480 69 HG SER 10 HG SER 10 -2.980 14.035 16.737 70 H VAL 11 H VAL 11 1.507 12.451 16.513 71 HA VAL 11 HA VAL 11 2.379 10.611 17.522 72 HB VAL 11 HB VAL 11 -0.377 9.396 17.293 73 HG11 VAL 11 1HG1 VAL 11 0.390 7.895 19.095 74 HG12 VAL 11 2HG1 VAL 11 2.006 8.586 18.951 75 HG13 VAL 11 3HG1 VAL 11 1.304 7.691 17.603 76 HG21 VAL 11 3HG2 VAL 11 -0.436 11.433 18.611 77 HG22 VAL 11 1HG2 VAL 11 0.926 10.871 19.580 78 HG23 VAL 11 2HG2 VAL 11 -0.620 10.029 19.663 79 H ALA 12 H ALA 12 3.722 9.221 16.580 80 HA ALA 12 HA ALA 12 3.219 8.372 13.886 81 HB1 ALA 12 1HB ALA 12 5.475 9.008 14.583 82 HB2 ALA 12 2HB ALA 12 5.432 7.349 13.985 83 HB3 ALA 12 3HB ALA 12 5.503 7.657 15.719 84 H LYS 13 H LYS 13 1.472 7.011 13.926 85 HA LYS 13 HA LYS 13 1.562 4.623 15.591 86 HB2 LYS 13 2HB LYS 13 -0.551 5.543 13.631 87 HB3 LYS 13 1HB LYS 13 -0.690 4.179 14.730 88 HG2 LYS 13 2HG LYS 13 -0.417 5.791 16.625 89 HG3 LYS 13 1HG LYS 13 -0.537 7.094 15.443 90 HD2 LYS 13 2HD LYS 13 -2.736 6.230 14.747 91 HD3 LYS 13 1HD LYS 13 -2.618 4.980 15.984 92 HE2 LYS 13 2HE LYS 13 -2.414 6.810 17.684 93 HE3 LYS 13 1HE LYS 13 -2.776 7.960 16.398 94 HZ1 LYS 13 3HZ LYS 13 -4.781 7.459 17.566 95 HZ2 LYS 13 1HZ LYS 13 -4.538 5.788 17.396 96 HZ3 LYS 13 2HZ LYS 13 -4.886 6.740 16.035 97 H LYS 14 H LYS 14 1.029 2.524 14.561 98 HA LYS 14 HA LYS 14 2.058 2.287 11.827 99 HB2 LYS 14 2HB LYS 14 2.891 0.600 14.198 100 HB3 LYS 14 1HB LYS 14 3.280 0.220 12.524 101 HG2 LYS 14 2HG LYS 14 4.548 2.278 12.324 102 HG3 LYS 14 1HG LYS 14 4.110 2.731 13.970 103 HD2 LYS 14 2HD LYS 14 5.322 0.792 14.834 104 HD3 LYS 14 1HD LYS 14 5.738 0.310 13.186 105 HE2 LYS 14 2HE LYS 14 6.944 2.425 12.884 106 HE3 LYS 14 1HE LYS 14 6.540 2.886 14.536 107 HZ1 LYS 14 3HZ LYS 14 8.803 1.974 14.263 108 HZ2 LYS 14 1HZ LYS 14 8.131 0.482 13.819 109 HZ3 LYS 14 2HZ LYS 14 7.867 1.104 15.378 110 H GLU 15 H GLU 15 1.682 -0.080 11.072 111 HA GLU 15 HA GLU 15 -1.039 -0.436 10.742 112 HB2 GLU 15 2HB GLU 15 0.924 -2.724 10.624 113 HB3 GLU 15 1HB GLU 15 -0.556 -2.524 9.703 114 HG2 GLU 15 2HG GLU 15 1.080 -2.064 8.151 115 HG3 GLU 15 1HG GLU 15 0.612 -0.458 8.704 116 H ASP 16 H ASP 16 1.058 -2.551 12.675 117 HA ASP 16 HA ASP 16 -0.998 -2.855 14.693 118 HB2 ASP 16 2HB ASP 16 -1.408 -4.593 12.831 119 HB3 ASP 16 1HB ASP 16 0.090 -5.344 13.366 120 H LYS 17 H LYS 17 -0.069 -4.379 16.472 121 HA LYS 17 HA LYS 17 2.785 -3.710 16.692 122 HB2 LYS 17 2HB LYS 17 2.525 -3.773 19.130 123 HB3 LYS 17 1HB LYS 17 1.493 -2.566 18.386 124 HG2 LYS 17 2HG LYS 17 0.533 -5.282 19.261 125 HG3 LYS 17 1HG LYS 17 0.471 -3.843 20.275 126 HD2 LYS 17 2HD LYS 17 -0.988 -4.352 17.689 127 HD3 LYS 17 1HD LYS 17 -1.679 -4.120 19.294 128 HE2 LYS 17 2HE LYS 17 -0.215 -2.042 17.669 129 HE3 LYS 17 1HE LYS 17 -1.958 -2.133 17.901 130 HZ1 LYS 17 3HZ LYS 17 -1.573 -1.810 20.302 131 HZ2 LYS 17 1HZ LYS 17 -1.035 -0.501 19.364 132 HZ3 LYS 17 2HZ LYS 17 0.082 -1.607 19.992 133 H VAL 18 H VAL 18 3.690 -5.299 18.627 134 HA VAL 18 HA VAL 18 4.730 -7.288 18.845 135 HB VAL 18 HB VAL 18 2.204 -8.431 17.660 136 HG11 VAL 18 1HG1 VAL 18 4.067 -10.001 17.510 137 HG12 VAL 18 2HG1 VAL 18 2.896 -10.539 18.714 138 HG13 VAL 18 3HG1 VAL 18 4.403 -9.778 19.228 139 HG21 VAL 18 3HG2 VAL 18 1.756 -7.171 19.690 140 HG22 VAL 18 1HG2 VAL 18 3.011 -8.071 20.542 141 HG23 VAL 18 2HG2 VAL 18 1.560 -8.900 19.979 142 HA PRO 19 HA PRO 19 6.185 -6.698 14.537 143 HB2 PRO 19 2HB PRO 19 8.727 -7.449 15.869 144 HB3 PRO 19 1HB PRO 19 8.367 -6.073 14.820 145 HG2 PRO 19 2HG PRO 19 8.681 -5.750 17.450 146 HG3 PRO 19 1HG PRO 19 7.465 -4.822 16.549 147 HD2 PRO 19 2HD PRO 19 7.106 -7.214 18.313 148 HD3 PRO 19 1HD PRO 19 6.093 -5.764 18.162 149 H VAL 20 H VAL 20 6.445 -8.173 12.993 150 HA VAL 20 HA VAL 20 6.405 -10.162 11.931 151 HB VAL 20 HB VAL 20 8.416 -10.967 14.020 152 HG11 VAL 20 1HG1 VAL 20 9.268 -12.492 12.285 153 HG12 VAL 20 2HG1 VAL 20 7.953 -11.998 11.220 154 HG13 VAL 20 3HG1 VAL 20 7.597 -12.863 12.716 155 HG21 VAL 20 3HG2 VAL 20 9.043 -8.869 12.946 156 HG22 VAL 20 1HG2 VAL 20 8.860 -9.620 11.364 157 HG23 VAL 20 2HG2 VAL 20 10.121 -10.179 12.463 158 H LYS 21 H LYS 21 4.201 -10.244 12.897 159 HA LYS 21 HA LYS 21 3.906 -12.764 14.388 160 HB2 LYS 21 2HB LYS 21 3.345 -10.640 15.704 161 HB3 LYS 21 1HB LYS 21 1.990 -10.436 14.604 162 HG2 LYS 21 2HG LYS 21 1.249 -11.471 16.650 163 HG3 LYS 21 1HG LYS 21 1.109 -12.622 15.316 164 HD2 LYS 21 2HD LYS 21 3.257 -13.622 15.999 165 HD3 LYS 21 1HD LYS 21 3.319 -12.510 17.368 166 HE2 LYS 21 2HE LYS 21 2.488 -14.632 18.129 167 HE3 LYS 21 1HE LYS 21 1.176 -13.455 18.177 168 HZ1 LYS 21 3HZ LYS 21 0.338 -14.357 16.091 169 HZ2 LYS 21 1HZ LYS 21 0.439 -15.571 17.272 170 HZ3 LYS 21 2HZ LYS 21 1.605 -15.485 16.041 171 H LYS 22 H LYS 22 4.036 -12.261 11.573 172 HA LYS 22 HA LYS 22 1.410 -13.149 10.715 173 HB2 LYS 22 2HB LYS 22 2.722 -10.591 9.979 174 HB3 LYS 22 1HB LYS 22 1.995 -11.498 8.663 175 HG2 LYS 22 2HG LYS 22 0.445 -10.875 11.148 176 HG3 LYS 22 1HG LYS 22 0.596 -9.702 9.840 177 HD2 LYS 22 2HD LYS 22 -1.413 -10.856 9.415 178 HD3 LYS 22 1HD LYS 22 -0.237 -11.536 8.291 179 HE2 LYS 22 2HE LYS 22 0.133 -13.371 9.984 180 HE3 LYS 22 1HE LYS 22 -1.268 -12.743 10.848 181 HZ1 LYS 22 3HZ LYS 22 -2.491 -13.024 8.663 182 HZ2 LYS 22 1HZ LYS 22 -2.081 -14.443 9.499 183 HZ3 LYS 22 2HZ LYS 22 -1.170 -13.957 8.153 184 H GLN 23 H GLN 23 1.608 -14.792 9.384 185 HA GLN 23 HA GLN 23 3.981 -15.874 8.430 186 HB2 GLN 23 2HB GLN 23 1.210 -16.105 7.223 187 HB3 GLN 23 1HB GLN 23 2.570 -17.146 6.834 188 HG2 GLN 23 2HG GLN 23 1.509 -18.460 8.351 189 HG3 GLN 23 1HG GLN 23 2.567 -17.561 9.433 190 HE21 GLN 23 1HE2 GLN 23 0.091 -18.884 10.063 191 HE22 GLN 23 2HE2 GLN 23 -0.998 -17.673 10.659 192 H LYS 24 H LYS 24 5.302 -15.360 6.807 193 HA LYS 24 HA LYS 24 5.000 -12.731 5.755 194 HB2 LYS 24 2HB LYS 24 7.122 -14.755 5.892 195 HB3 LYS 24 1HB LYS 24 7.197 -13.697 4.493 196 HG2 LYS 24 2HG LYS 24 7.026 -11.767 6.130 197 HG3 LYS 24 1HG LYS 24 7.343 -12.960 7.394 198 HD2 LYS 24 2HD LYS 24 9.409 -11.852 6.644 199 HD3 LYS 24 1HD LYS 24 9.430 -13.587 6.313 200 HE2 LYS 24 2HE LYS 24 8.690 -13.078 3.982 201 HE3 LYS 24 1HE LYS 24 8.869 -11.364 4.348 202 HZ1 LYS 24 3HZ LYS 24 11.037 -13.391 4.450 203 HZ2 LYS 24 1HZ LYS 24 11.215 -11.738 4.788 204 HZ3 LYS 24 2HZ LYS 24 10.819 -12.251 3.215 205 H THR 25 H THR 25 4.780 -12.018 3.720 206 HA THR 25 HA THR 25 4.501 -13.966 1.548 207 HB THR 25 HB THR 25 4.036 -10.968 1.462 208 HG1 THR 25 1HG THR 25 2.557 -12.863 2.620 209 HG21 THR 25 3HG2 THR 25 4.453 -11.999 -0.722 210 HG22 THR 25 1HG2 THR 25 2.774 -11.472 -0.579 211 HG23 THR 25 2HG2 THR 25 3.182 -13.180 -0.411 212 H ARG 26 H ARG 26 5.979 -13.818 -0.247 213 HA ARG 26 HA ARG 26 8.610 -13.219 0.561 214 HB2 ARG 26 2HB ARG 26 9.287 -13.799 -1.715 215 HB3 ARG 26 1HB ARG 26 8.177 -14.976 -1.033 216 HG2 ARG 26 2HG ARG 26 6.355 -14.056 -2.345 217 HG3 ARG 26 1HG ARG 26 7.433 -12.814 -2.996 218 HD2 ARG 26 2HD ARG 26 8.856 -14.584 -3.944 219 HD3 ARG 26 1HD ARG 26 7.732 -15.796 -3.336 220 HE ARG 26 HE ARG 26 6.050 -14.729 -4.849 221 HH11 ARG 26 1HH1 ARG 26 9.485 -14.533 -5.496 222 HH12 ARG 26 2HH1 ARG 26 9.279 -14.270 -7.203 223 HH21 ARG 26 1HH2 ARG 26 5.769 -14.479 -7.088 224 HH22 ARG 26 2HH2 ARG 26 7.162 -14.272 -8.125 225 H THR 27 H THR 27 6.236 -11.162 -0.726 226 HA THR 27 HA THR 27 8.317 -9.104 -0.989 227 HB THR 27 HB THR 27 6.722 -7.870 -2.490 228 HG1 THR 27 1HG THR 27 4.896 -9.290 -1.924 229 HG21 THR 27 3HG2 THR 27 8.695 -8.990 -3.384 230 HG22 THR 27 1HG2 THR 27 7.342 -9.143 -4.506 231 HG23 THR 27 2HG2 THR 27 7.802 -10.507 -3.487 232 H VAL 28 H VAL 28 8.016 -7.282 0.137 233 HA VAL 28 HA VAL 28 5.492 -6.723 1.468 234 HB VAL 28 HB VAL 28 6.587 -6.536 3.721 235 HG11 VAL 28 1HG1 VAL 28 5.118 -8.387 3.299 236 HG12 VAL 28 2HG1 VAL 28 6.500 -8.955 4.237 237 HG13 VAL 28 3HG1 VAL 28 6.412 -9.288 2.508 238 HG21 VAL 28 3HG2 VAL 28 8.770 -8.173 2.434 239 HG22 VAL 28 1HG2 VAL 28 8.638 -7.788 4.150 240 HG23 VAL 28 2HG2 VAL 28 8.912 -6.500 2.975 241 H PHE 29 H PHE 29 5.529 -4.644 2.596 242 HA PHE 29 HA PHE 29 7.586 -2.837 1.540 243 HB2 PHE 29 2HB PHE 29 4.739 -2.313 2.410 244 HB3 PHE 29 1HB PHE 29 5.896 -1.040 2.075 245 HD1 PHE 29 2HD PHE 29 7.116 -2.841 -0.285 246 HD2 PHE 29 1HD PHE 29 3.266 -1.348 0.742 247 HE1 PHE 29 2HE PHE 29 6.461 -2.915 -2.656 248 HE2 PHE 29 1HE PHE 29 2.600 -1.422 -1.625 249 HZ PHE 29 HZ PHE 29 4.199 -2.207 -3.331 250 H SER 30 H SER 30 7.836 -0.857 3.063 251 HA SER 30 HA SER 30 8.465 -1.837 5.708 252 HB2 SER 30 2HB SER 30 10.011 -0.307 4.476 253 HB3 SER 30 1HB SER 30 8.776 0.949 4.544 254 HG SER 30 HG SER 30 10.609 0.328 6.369 255 H SER 31 H SER 31 7.634 -0.778 7.635 256 HA SER 31 HA SER 31 4.856 -0.641 7.664 257 HB2 SER 31 2HB SER 31 6.890 0.352 9.661 258 HB3 SER 31 1HB SER 31 5.154 0.326 9.973 259 HG SER 31 HG SER 31 5.165 -1.911 9.672 260 H THR 32 H THR 32 7.226 1.925 7.244 261 HA THR 32 HA THR 32 5.547 4.118 7.650 262 HB THR 32 HB THR 32 7.710 4.053 5.549 263 HG1 THR 32 1HG THR 32 8.873 4.809 7.702 264 HG21 THR 32 3HG2 THR 32 6.378 6.119 5.760 265 HG22 THR 32 1HG2 THR 32 8.053 6.371 6.259 266 HG23 THR 32 2HG2 THR 32 6.788 6.196 7.474 267 H GLN 33 H GLN 33 6.136 2.175 4.740 268 HA GLN 33 HA GLN 33 4.410 3.757 3.093 269 HB2 GLN 33 2HB GLN 33 5.511 0.969 2.690 270 HB3 GLN 33 1HB GLN 33 4.658 1.898 1.466 271 HG2 GLN 33 2HG GLN 33 6.408 3.573 1.483 272 HG3 GLN 33 1HG GLN 33 7.250 2.708 2.758 273 HE21 GLN 33 1HE2 GLN 33 5.633 1.140 0.091 274 HE22 GLN 33 2HE2 GLN 33 7.061 0.560 -0.689 275 H LEU 34 H LEU 34 4.165 0.759 4.918 276 HA LEU 34 HA LEU 34 1.619 -0.016 4.013 277 HB2 LEU 34 2HB LEU 34 3.045 -0.618 6.596 278 HB3 LEU 34 1HB LEU 34 1.561 -1.401 6.086 279 HG LEU 34 HG LEU 34 4.188 -1.531 4.602 280 HD11 LEU 34 1HD1 LEU 34 4.270 -2.754 6.709 281 HD12 LEU 34 2HD1 LEU 34 4.255 -3.857 5.333 282 HD13 LEU 34 3HD1 LEU 34 2.788 -3.607 6.280 283 HD21 LEU 34 3HD2 LEU 34 1.572 -2.957 4.131 284 HD22 LEU 34 1HD2 LEU 34 3.079 -3.252 3.261 285 HD23 LEU 34 2HD2 LEU 34 2.268 -1.694 3.114 286 H CYS 35 H CYS 35 2.555 1.906 6.898 287 HA CYS 35 HA CYS 35 -0.100 2.067 7.879 288 HB2 CYS 35 2HB CYS 35 0.737 3.881 9.335 289 HB3 CYS 35 1HB CYS 35 1.763 2.453 9.379 290 HG CYS 35 HG CYS 35 3.894 3.490 8.206 291 H VAL 36 H VAL 36 1.812 4.220 5.800 292 HA VAL 36 HA VAL 36 -0.060 6.296 5.617 293 HB VAL 36 HB VAL 36 1.982 5.356 3.594 294 HG11 VAL 36 1HG1 VAL 36 0.193 6.549 2.429 295 HG12 VAL 36 2HG1 VAL 36 1.670 7.515 2.472 296 HG13 VAL 36 3HG1 VAL 36 0.338 7.888 3.565 297 HG21 VAL 36 3HG2 VAL 36 3.225 7.334 4.355 298 HG22 VAL 36 1HG2 VAL 36 2.920 6.203 5.673 299 HG23 VAL 36 2HG2 VAL 36 1.953 7.670 5.529 300 H LEU 37 H LEU 37 0.360 3.416 3.559 301 HA LEU 37 HA LEU 37 -1.766 3.950 1.805 302 HB2 LEU 37 2HB LEU 37 -0.558 1.318 2.660 303 HB3 LEU 37 1HB LEU 37 -1.711 1.488 1.350 304 HG LEU 37 HG LEU 37 1.017 2.780 1.424 305 HD11 LEU 37 1HD1 LEU 37 1.584 1.146 -0.319 306 HD12 LEU 37 2HD1 LEU 37 0.019 0.367 -0.084 307 HD13 LEU 37 3HD1 LEU 37 1.206 0.371 1.220 308 HD21 LEU 37 3HD2 LEU 37 -0.645 4.041 0.137 309 HD22 LEU 37 1HD2 LEU 37 -1.027 2.588 -0.786 310 HD23 LEU 37 2HD2 LEU 37 0.575 3.316 -0.909 311 H ASN 38 H ASN 38 -1.641 2.076 4.811 312 HA ASN 38 HA ASN 38 -4.311 1.130 4.681 313 HB2 ASN 38 2HB ASN 38 -2.553 0.076 6.067 314 HB3 ASN 38 1HB ASN 38 -2.521 1.502 7.096 315 HD21 ASN 38 1HD2 ASN 38 -3.080 0.418 8.928 316 HD22 ASN 38 2HD2 ASN 38 -4.654 -0.244 9.194 317 H ASP 39 H ASP 39 -2.840 3.970 6.202 318 HA ASP 39 HA ASP 39 -5.143 4.844 7.545 319 HB2 ASP 39 2HB ASP 39 -2.927 5.823 7.979 320 HB3 ASP 39 1HB ASP 39 -2.921 6.530 6.365 321 H ARG 40 H ARG 40 -3.946 5.514 4.277 322 HA ARG 40 HA ARG 40 -6.046 7.290 3.612 323 HB2 ARG 40 2HB ARG 40 -4.362 5.662 1.706 324 HB3 ARG 40 1HB ARG 40 -5.279 7.109 1.321 325 HG2 ARG 40 2HG ARG 40 -2.746 6.855 2.897 326 HG3 ARG 40 1HG ARG 40 -3.077 7.845 1.477 327 HD2 ARG 40 2HD ARG 40 -4.629 9.206 2.870 328 HD3 ARG 40 1HD ARG 40 -4.130 8.268 4.273 329 HE ARG 40 HE ARG 40 -2.077 9.676 2.731 330 HH11 ARG 40 1HH1 ARG 40 -3.920 9.357 5.708 331 HH12 ARG 40 2HH1 ARG 40 -2.926 10.484 6.573 332 HH21 ARG 40 1HH2 ARG 40 -0.752 11.146 3.915 333 HH22 ARG 40 2HH2 ARG 40 -1.148 11.484 5.570 334 H PHE 41 H PHE 41 -5.634 3.786 3.168 335 HA PHE 41 HA PHE 41 -8.012 3.247 1.798 336 HB2 PHE 41 2HB PHE 41 -6.322 1.664 3.700 337 HB3 PHE 41 1HB PHE 41 -7.879 1.024 3.176 338 HD1 PHE 41 1HD PHE 41 -8.131 1.732 0.460 339 HD2 PHE 41 2HD PHE 41 -4.627 0.573 2.577 340 HE1 PHE 41 1HE PHE 41 -7.139 0.955 -1.619 341 HE2 PHE 41 2HE PHE 41 -3.622 -0.230 0.476 342 HZ PHE 41 HZ PHE 41 -4.885 -0.042 -1.637 343 H GLN 42 H GLN 42 -7.450 4.054 5.134 344 HA GLN 42 HA GLN 42 -10.121 3.348 5.981 345 HB2 GLN 42 2HB GLN 42 -7.929 4.880 7.388 346 HB3 GLN 42 1HB GLN 42 -9.468 4.447 8.121 347 HG2 GLN 42 2HG GLN 42 -7.387 2.526 7.098 348 HG3 GLN 42 1HG GLN 42 -7.723 2.905 8.787 349 HE21 GLN 42 1HE2 GLN 42 -9.590 2.120 9.743 350 HE22 GLN 42 2HE2 GLN 42 -10.526 0.846 9.041 351 H ARG 43 H ARG 43 -8.444 6.238 4.914 352 HA ARG 43 HA ARG 43 -10.551 8.051 5.644 353 HB2 ARG 43 2HB ARG 43 -8.464 8.517 3.511 354 HB3 ARG 43 1HB ARG 43 -9.345 9.723 4.435 355 HG2 ARG 43 2HG ARG 43 -7.308 7.819 5.564 356 HG3 ARG 43 1HG ARG 43 -7.012 9.507 5.140 357 HD2 ARG 43 2HD ARG 43 -8.552 10.253 6.826 358 HD3 ARG 43 1HD ARG 43 -9.060 8.595 7.157 359 HE ARG 43 HE ARG 43 -6.317 8.671 7.544 360 HH11 ARG 43 1HH1 ARG 43 -9.121 10.251 8.935 361 HH12 ARG 43 2HH1 ARG 43 -8.433 10.356 10.527 362 HH21 ARG 43 1HH2 ARG 43 -5.421 8.768 9.619 363 HH22 ARG 43 2HH2 ARG 43 -6.322 9.508 10.915 364 H GLN 44 H GLN 44 -9.411 6.634 2.609 365 HA GLN 44 HA GLN 44 -12.157 6.859 1.565 366 HB2 GLN 44 2HB GLN 44 -9.582 7.101 -0.019 367 HB3 GLN 44 1HB GLN 44 -11.197 7.067 -0.711 368 HG2 GLN 44 2HG GLN 44 -11.000 9.291 -0.670 369 HG3 GLN 44 1HG GLN 44 -11.452 9.117 1.024 370 HE21 GLN 44 1HE2 GLN 44 -9.896 11.200 -0.246 371 HE22 GLN 44 2HE2 GLN 44 -8.355 11.206 0.538 372 H LYS 45 H LYS 45 -12.975 5.001 0.699 373 HA LYS 45 HA LYS 45 -11.827 2.622 1.643 374 HB2 LYS 45 2HB LYS 45 -14.092 3.068 -0.301 375 HB3 LYS 45 1HB LYS 45 -13.674 1.501 0.388 376 HG2 LYS 45 2HG LYS 45 -14.079 2.373 2.631 377 HG3 LYS 45 1HG LYS 45 -14.493 3.944 1.946 378 HD2 LYS 45 2HD LYS 45 -16.390 2.956 0.784 379 HD3 LYS 45 1HD LYS 45 -15.955 1.361 1.410 380 HE2 LYS 45 2HE LYS 45 -16.270 2.184 3.698 381 HE3 LYS 45 1HE LYS 45 -16.720 3.763 3.064 382 HZ1 LYS 45 3HZ LYS 45 -18.189 1.252 2.478 383 HZ2 LYS 45 1HZ LYS 45 -18.660 2.828 2.065 384 HZ3 LYS 45 2HZ LYS 45 -18.623 2.354 3.693 385 H TYR 46 H TYR 46 -11.947 3.990 -1.629 386 HA TYR 46 HA TYR 46 -9.749 2.197 -2.343 387 HB2 TYR 46 2HB TYR 46 -12.173 2.633 -4.110 388 HB3 TYR 46 1HB TYR 46 -10.753 1.673 -4.516 389 HD1 TYR 46 2HD TYR 46 -10.204 -0.153 -2.556 390 HD2 TYR 46 1HD TYR 46 -14.038 1.442 -3.501 391 HE1 TYR 46 2HE TYR 46 -11.272 -2.128 -1.552 392 HE2 TYR 46 1HE TYR 46 -15.113 -0.522 -2.485 393 HH TYR 46 HH TYR 46 -14.517 -2.899 -1.979 394 H LEU 47 H LEU 47 -8.388 3.014 -3.999 395 HA LEU 47 HA LEU 47 -8.421 5.919 -4.144 396 HB2 LEU 47 2HB LEU 47 -6.361 3.875 -4.962 397 HB3 LEU 47 1HB LEU 47 -6.181 5.586 -5.274 398 HG LEU 47 HG LEU 47 -4.881 5.118 -3.358 399 HD11 LEU 47 1HD1 LEU 47 -5.911 6.447 -1.612 400 HD12 LEU 47 2HD1 LEU 47 -7.485 6.278 -2.391 401 HD13 LEU 47 3HD1 LEU 47 -6.192 7.166 -3.198 402 HD21 LEU 47 3HD2 LEU 47 -5.755 4.009 -1.364 403 HD22 LEU 47 1HD2 LEU 47 -5.809 2.957 -2.779 404 HD23 LEU 47 2HD2 LEU 47 -7.285 3.727 -2.195 405 H SER 48 H SER 48 -8.589 7.103 -6.003 406 HA SER 48 HA SER 48 -9.776 5.809 -8.286 407 HB2 SER 48 2HB SER 48 -10.639 7.977 -7.416 408 HB3 SER 48 1HB SER 48 -9.111 8.731 -7.865 409 HG SER 48 HG SER 48 -11.233 8.392 -9.382 410 H LEU 49 H LEU 49 -8.973 7.002 -10.437 411 HA LEU 49 HA LEU 49 -6.551 5.650 -11.012 412 HB2 LEU 49 2HB LEU 49 -8.470 6.106 -12.602 413 HB3 LEU 49 1HB LEU 49 -7.871 7.749 -12.726 414 HG LEU 49 HG LEU 49 -5.687 6.795 -13.537 415 HD11 LEU 49 1HD1 LEU 49 -7.328 4.274 -13.719 416 HD12 LEU 49 2HD1 LEU 49 -5.954 4.547 -12.648 417 HD13 LEU 49 3HD1 LEU 49 -5.717 4.509 -14.396 418 HD21 LEU 49 3HD2 LEU 49 -7.309 7.769 -15.067 419 HD22 LEU 49 1HD2 LEU 49 -8.156 6.225 -15.174 420 HD23 LEU 49 2HD2 LEU 49 -6.517 6.375 -15.803 421 H GLN 50 H GLN 50 -7.357 8.999 -10.367 422 HA GLN 50 HA GLN 50 -4.740 9.988 -11.019 423 HB2 GLN 50 2HB GLN 50 -6.779 11.405 -11.118 424 HB3 GLN 50 1HB GLN 50 -6.910 11.298 -9.367 425 HG2 GLN 50 2HG GLN 50 -4.769 12.435 -9.124 426 HG3 GLN 50 1HG GLN 50 -4.605 12.513 -10.878 427 HE21 GLN 50 1HE2 GLN 50 -4.513 14.737 -10.896 428 HE22 GLN 50 2HE2 GLN 50 -5.898 15.731 -10.600 429 H GLN 51 H GLN 51 -6.325 8.729 -8.201 430 HA GLN 51 HA GLN 51 -4.491 9.820 -6.309 431 HB2 GLN 51 2HB GLN 51 -6.581 7.658 -6.078 432 HB3 GLN 51 1HB GLN 51 -5.687 8.330 -4.723 433 HG2 GLN 51 2HG GLN 51 -6.679 10.450 -4.979 434 HG3 GLN 51 1HG GLN 51 -7.313 10.040 -6.571 435 HE21 GLN 51 1HE2 GLN 51 -9.410 10.541 -6.030 436 HE22 GLN 51 2HE2 GLN 51 -10.362 9.564 -4.949 437 H MET 52 H MET 52 -4.753 6.762 -8.039 438 HA MET 52 HA MET 52 -2.796 5.388 -6.508 439 HB2 MET 52 2HB MET 52 -2.664 3.828 -8.423 440 HB3 MET 52 1HB MET 52 -4.304 4.117 -7.869 441 HG2 MET 52 2HG MET 52 -4.585 5.735 -9.725 442 HG3 MET 52 1HG MET 52 -2.994 5.261 -10.315 443 HE1 MET 52 3HE MET 52 -6.656 4.036 -9.551 444 HE2 MET 52 1HE MET 52 -5.655 2.925 -8.620 445 HE3 MET 52 2HE MET 52 -6.555 2.337 -10.017 446 H GLN 53 H GLN 53 -2.535 7.378 -9.452 447 HA GLN 53 HA GLN 53 0.307 7.032 -9.560 448 HB2 GLN 53 2HB GLN 53 0.303 8.859 -11.202 449 HB3 GLN 53 1HB GLN 53 -0.869 7.612 -11.596 450 HG2 GLN 53 2HG GLN 53 -2.679 8.973 -10.951 451 HG3 GLN 53 1HG GLN 53 -1.618 10.146 -10.173 452 HE21 GLN 53 1HE2 GLN 53 -0.880 8.696 -13.254 453 HE22 GLN 53 2HE2 GLN 53 -1.096 10.130 -14.199 454 H GLU 54 H GLU 54 -1.895 9.291 -8.061 455 HA GLU 54 HA GLU 54 -0.104 11.254 -7.219 456 HB2 GLU 54 2HB GLU 54 -2.599 11.341 -7.060 457 HB3 GLU 54 1HB GLU 54 -2.519 10.203 -5.726 458 HG2 GLU 54 2HG GLU 54 -1.424 11.788 -4.336 459 HG3 GLU 54 1HG GLU 54 -1.184 12.895 -5.688 460 H LEU 55 H LEU 55 -1.141 8.273 -5.567 461 HA LEU 55 HA LEU 55 0.650 8.528 -3.391 462 HB2 LEU 55 2HB LEU 55 -1.391 6.758 -4.186 463 HB3 LEU 55 1HB LEU 55 0.048 5.777 -3.991 464 HG LEU 55 HG LEU 55 -1.224 5.781 -1.933 465 HD11 LEU 55 1HD1 LEU 55 1.262 7.471 -1.675 466 HD12 LEU 55 2HD1 LEU 55 1.205 5.709 -1.730 467 HD13 LEU 55 3HD1 LEU 55 0.482 6.573 -0.374 468 HD21 LEU 55 3HD2 LEU 55 -0.908 8.780 -1.966 469 HD22 LEU 55 1HD2 LEU 55 -1.621 7.825 -0.667 470 HD23 LEU 55 2HD2 LEU 55 -2.407 7.895 -2.245 471 H SER 56 H SER 56 0.860 6.924 -6.505 472 HA SER 56 HA SER 56 3.237 5.559 -6.302 473 HB2 SER 56 2HB SER 56 1.845 5.458 -8.290 474 HB3 SER 56 1HB SER 56 2.137 7.160 -8.627 475 HG SER 56 HG SER 56 4.509 6.136 -8.514 476 H ASN 57 H ASN 57 2.771 9.023 -6.907 477 HA ASN 57 HA ASN 57 5.521 9.599 -7.331 478 HB2 ASN 57 2HB ASN 57 3.755 11.088 -8.142 479 HB3 ASN 57 1HB ASN 57 3.261 11.431 -6.487 480 HD21 ASN 57 1HD2 ASN 57 4.415 12.887 -5.284 481 HD22 ASN 57 2HD2 ASN 57 5.700 13.846 -5.926 482 H ILE 58 H ILE 58 3.515 9.397 -4.475 483 HA ILE 58 HA ILE 58 5.218 10.875 -2.747 484 HB ILE 58 HB ILE 58 3.205 8.763 -1.970 485 HG12 ILE 58 2HG1 ILE 58 2.847 11.721 -2.491 486 HG13 ILE 58 1HG1 ILE 58 2.146 10.402 -3.415 487 HG21 ILE 58 1HG2 ILE 58 4.745 9.453 -0.179 488 HG22 ILE 58 2HG2 ILE 58 3.088 9.960 0.143 489 HG23 ILE 58 3HG2 ILE 58 4.270 11.134 -0.433 490 HD11 ILE 58 3HD1 ILE 58 0.838 9.740 -1.450 491 HD12 ILE 58 1HD1 ILE 58 0.487 11.387 -1.975 492 HD13 ILE 58 2HD1 ILE 58 1.509 11.109 -0.564 493 H LEU 59 H LEU 59 4.932 7.445 -3.553 494 HA LEU 59 HA LEU 59 7.046 6.841 -1.621 495 HB2 LEU 59 2HB LEU 59 5.237 5.037 -3.219 496 HB3 LEU 59 1HB LEU 59 6.531 4.454 -2.188 497 HG LEU 59 HG LEU 59 4.086 5.976 -1.290 498 HD11 LEU 59 1HD1 LEU 59 3.613 3.670 -1.860 499 HD12 LEU 59 2HD1 LEU 59 3.544 3.900 -0.113 500 HD13 LEU 59 3HD1 LEU 59 4.951 3.129 -0.845 501 HD21 LEU 59 3HD2 LEU 59 5.952 6.644 0.069 502 HD22 LEU 59 1HD2 LEU 59 6.446 4.964 0.280 503 HD23 LEU 59 2HD2 LEU 59 4.936 5.534 0.989 504 H ASN 60 H ASN 60 7.023 7.975 -4.574 505 HA ASN 60 HA ASN 60 8.336 7.927 -6.422 506 HB2 ASN 60 2HB ASN 60 10.012 8.372 -4.547 507 HB3 ASN 60 1HB ASN 60 10.448 6.671 -4.663 508 HD21 ASN 60 1HD2 ASN 60 11.766 6.006 -6.282 509 HD22 ASN 60 2HD2 ASN 60 12.442 7.061 -7.477 510 H LEU 61 H LEU 61 6.589 5.900 -6.360 511 HA LEU 61 HA LEU 61 8.093 3.583 -7.390 512 HB2 LEU 61 2HB LEU 61 5.304 3.725 -6.233 513 HB3 LEU 61 1HB LEU 61 5.987 2.297 -6.989 514 HG LEU 61 HG LEU 61 7.027 3.624 -4.480 515 HD11 LEU 61 1HD1 LEU 61 6.209 1.624 -3.348 516 HD12 LEU 61 2HD1 LEU 61 5.546 1.026 -4.869 517 HD13 LEU 61 3HD1 LEU 61 4.893 2.493 -4.138 518 HD21 LEU 61 3HD2 LEU 61 8.499 1.702 -4.306 519 HD22 LEU 61 1HD2 LEU 61 8.798 2.575 -5.808 520 HD23 LEU 61 2HD2 LEU 61 7.881 1.068 -5.831 521 H SER 62 H SER 62 6.378 2.336 -8.924 522 HA SER 62 HA SER 62 5.917 4.248 -11.074 523 HB2 SER 62 2HB SER 62 7.219 2.355 -11.721 524 HB3 SER 62 1HB SER 62 6.082 1.234 -10.976 525 HG SER 62 HG SER 62 6.117 2.074 -13.471 526 H TYR 63 H TYR 63 3.960 4.660 -11.941 527 HA TYR 63 HA TYR 63 1.585 4.262 -10.532 528 HB2 TYR 63 2HB TYR 63 1.528 6.025 -12.062 529 HB3 TYR 63 1HB TYR 63 2.259 5.068 -13.345 530 HD1 TYR 63 2HD TYR 63 -0.908 5.583 -11.456 531 HD2 TYR 63 1HD TYR 63 0.940 3.944 -14.921 532 HE1 TYR 63 2HE TYR 63 -3.125 5.146 -12.432 533 HE2 TYR 63 1HE TYR 63 -1.266 3.504 -15.901 534 HH TYR 63 HH TYR 63 -4.154 4.782 -14.583 535 H LYS 64 H LYS 64 3.139 2.374 -13.044 536 HA LYS 64 HA LYS 64 0.994 0.599 -13.568 537 HB2 LYS 64 2HB LYS 64 3.862 0.739 -14.181 538 HB3 LYS 64 1HB LYS 64 3.253 -0.901 -14.018 539 HG2 LYS 64 2HG LYS 64 3.171 -0.230 -16.319 540 HG3 LYS 64 1HG LYS 64 1.529 -0.397 -15.700 541 HD2 LYS 64 2HD LYS 64 1.308 1.988 -15.496 542 HD3 LYS 64 1HD LYS 64 3.006 2.222 -15.922 543 HE2 LYS 64 2HE LYS 64 2.566 1.244 -18.133 544 HE3 LYS 64 1HE LYS 64 0.867 1.061 -17.705 545 HZ1 LYS 64 3HZ LYS 64 0.522 3.333 -17.766 546 HZ2 LYS 64 1HZ LYS 64 1.588 3.085 -19.059 547 HZ3 LYS 64 2HZ LYS 64 2.170 3.706 -17.594 548 H GLN 65 H GLN 65 3.592 0.666 -11.214 549 HA GLN 65 HA GLN 65 3.095 -1.925 -10.148 550 HB2 GLN 65 2HB GLN 65 4.540 0.464 -8.996 551 HB3 GLN 65 1HB GLN 65 4.480 -1.111 -8.217 552 HG2 GLN 65 2HG GLN 65 5.659 -0.521 -10.921 553 HG3 GLN 65 1HG GLN 65 6.563 -0.778 -9.432 554 HE21 GLN 65 1HE2 GLN 65 4.743 -2.259 -11.973 555 HE22 GLN 65 2HE2 GLN 65 5.133 -3.893 -11.580 556 H VAL 66 H VAL 66 2.113 1.368 -9.214 557 HA VAL 66 HA VAL 66 0.825 0.513 -6.813 558 HB VAL 66 HB VAL 66 0.401 3.101 -8.332 559 HG11 VAL 66 1HG1 VAL 66 -0.433 3.957 -6.193 560 HG12 VAL 66 2HG1 VAL 66 -0.257 2.353 -5.481 561 HG13 VAL 66 3HG1 VAL 66 -1.422 2.617 -6.776 562 HG21 VAL 66 3HG2 VAL 66 2.731 2.756 -7.682 563 HG22 VAL 66 1HG2 VAL 66 2.228 2.437 -6.022 564 HG23 VAL 66 2HG2 VAL 66 1.989 4.037 -6.724 565 H LYS 67 H LYS 67 -0.336 1.141 -10.088 566 HA LYS 67 HA LYS 67 -3.086 0.866 -9.537 567 HB2 LYS 67 2HB LYS 67 -2.065 1.861 -11.606 568 HB3 LYS 67 1HB LYS 67 -1.678 0.231 -12.133 569 HG2 LYS 67 2HG LYS 67 -4.494 0.719 -11.420 570 HG3 LYS 67 1HG LYS 67 -3.897 1.561 -12.850 571 HD2 LYS 67 2HD LYS 67 -3.159 -0.574 -13.798 572 HD3 LYS 67 1HD LYS 67 -3.752 -1.417 -12.363 573 HE2 LYS 67 2HE LYS 67 -6.011 -0.761 -12.843 574 HE3 LYS 67 1HE LYS 67 -5.481 0.261 -14.177 575 HZ1 LYS 67 3HZ LYS 67 -4.783 -1.666 -15.391 576 HZ2 LYS 67 1HZ LYS 67 -6.389 -1.889 -14.905 577 HZ3 LYS 67 2HZ LYS 67 -5.141 -2.690 -14.086 578 H THR 68 H THR 68 -0.652 -1.464 -10.552 579 HA THR 68 HA THR 68 -2.497 -3.635 -10.761 580 HB THR 68 HB THR 68 0.518 -3.785 -10.589 581 HG1 THR 68 1HG THR 68 0.286 -2.623 -12.383 582 HG21 THR 68 3HG2 THR 68 -0.608 -5.938 -10.305 583 HG22 THR 68 1HG2 THR 68 0.218 -5.869 -11.859 584 HG23 THR 68 2HG2 THR 68 -1.533 -5.661 -11.780 585 H TRP 69 H TRP 69 -0.199 -2.516 -8.306 586 HA TRP 69 HA TRP 69 -0.427 -4.702 -6.555 587 HB2 TRP 69 2HB TRP 69 1.295 -2.933 -6.330 588 HB3 TRP 69 1HB TRP 69 0.043 -1.791 -5.855 589 HD1 TRP 69 HD TRP 69 1.959 -4.838 -4.552 590 HE1 TRP 69 1HE TRP 69 1.696 -4.945 -1.996 591 HE3 TRP 69 3HE TRP 69 -1.469 -1.100 -3.927 592 HZ2 TRP 69 2HZ TRP 69 0.231 -3.622 0.023 593 HZ3 TRP 69 3HZ TRP 69 -2.248 -0.582 -1.651 594 HH2 TRP 69 HH TRP 69 -1.415 -1.818 0.283 595 H PHE 70 H PHE 70 -2.271 -1.699 -6.840 596 HA PHE 70 HA PHE 70 -3.979 -2.029 -4.668 597 HB2 PHE 70 2HB PHE 70 -3.902 0.065 -5.862 598 HB3 PHE 70 1HB PHE 70 -4.448 -0.704 -7.346 599 HD1 PHE 70 2HD PHE 70 -5.546 -0.113 -3.828 600 HD2 PHE 70 1HD PHE 70 -6.674 -0.607 -7.902 601 HE1 PHE 70 2HE PHE 70 -7.883 0.393 -3.241 602 HE2 PHE 70 1HE PHE 70 -9.007 -0.097 -7.323 603 HZ PHE 70 HZ PHE 70 -9.614 0.399 -4.992 604 H GLN 71 H GLN 71 -4.321 -3.176 -8.017 605 HA GLN 71 HA GLN 71 -6.862 -4.368 -7.684 606 HB2 GLN 71 2HB GLN 71 -4.647 -5.137 -9.589 607 HB3 GLN 71 1HB GLN 71 -6.324 -5.640 -9.718 608 HG2 GLN 71 2HG GLN 71 -5.388 -2.786 -9.852 609 HG3 GLN 71 1HG GLN 71 -5.703 -3.810 -11.249 610 HE21 GLN 71 1HE2 GLN 71 -7.111 -2.036 -8.624 611 HE22 GLN 71 2HE2 GLN 71 -8.740 -2.080 -9.202 612 H ASN 72 H ASN 72 -3.597 -5.671 -7.368 613 HA ASN 72 HA ASN 72 -4.433 -8.357 -6.936 614 HB2 ASN 72 2HB ASN 72 -2.246 -7.890 -7.893 615 HB3 ASN 72 1HB ASN 72 -1.772 -7.011 -6.443 616 HD21 ASN 72 1HD2 ASN 72 -2.444 -10.152 -7.801 617 HD22 ASN 72 2HD2 ASN 72 -1.663 -11.068 -6.563 618 H GLN 73 H GLN 73 -3.718 -5.637 -4.862 619 HA GLN 73 HA GLN 73 -3.606 -7.114 -2.443 620 HB2 GLN 73 2HB GLN 73 -2.744 -4.774 -2.740 621 HB3 GLN 73 1HB GLN 73 -4.412 -4.220 -2.788 622 HG2 GLN 73 2HG GLN 73 -3.313 -3.942 -0.584 623 HG3 GLN 73 1HG GLN 73 -4.786 -4.909 -0.538 624 HE21 GLN 73 1HE2 GLN 73 -4.167 -5.876 1.386 625 HE22 GLN 73 2HE2 GLN 73 -2.932 -7.082 1.456 626 H ARG 74 H ARG 74 -6.192 -5.533 -4.244 627 HA ARG 74 HA ARG 74 -8.196 -6.127 -2.310 628 HB2 ARG 74 2HB ARG 74 -8.362 -4.299 -4.017 629 HB3 ARG 74 1HB ARG 74 -8.608 -5.538 -5.242 630 HG2 ARG 74 2HG ARG 74 -10.714 -4.526 -4.463 631 HG3 ARG 74 1HG ARG 74 -10.638 -6.264 -4.168 632 HD2 ARG 74 2HD ARG 74 -9.963 -5.819 -1.841 633 HD3 ARG 74 1HD ARG 74 -10.105 -4.090 -2.146 634 HE ARG 74 HE ARG 74 -12.546 -4.876 -2.794 635 HH11 ARG 74 1HH1 ARG 74 -10.567 -5.814 -0.053 636 HH12 ARG 74 2HH1 ARG 74 -11.923 -6.073 1.005 637 HH21 ARG 74 1HH2 ARG 74 -14.328 -5.208 -1.412 638 HH22 ARG 74 2HH2 ARG 74 -14.069 -5.729 0.227 639 H MET 75 H MET 75 -6.994 -7.780 -5.226 640 HA MET 75 HA MET 75 -9.166 -9.618 -5.329 641 HB2 MET 75 2HB MET 75 -7.928 -10.841 -6.974 642 HB3 MET 75 1HB MET 75 -7.696 -9.125 -7.271 643 HG2 MET 75 2HG MET 75 -5.500 -9.231 -6.233 644 HG3 MET 75 1HG MET 75 -5.737 -10.942 -5.887 645 HE1 MET 75 3HE MET 75 -5.452 -8.268 -8.815 646 HE2 MET 75 1HE MET 75 -6.961 -9.130 -9.117 647 HE3 MET 75 2HE MET 75 -5.595 -9.334 -10.213 648 H LYS 76 H LYS 76 -6.181 -9.624 -3.512 649 HA LYS 76 HA LYS 76 -6.359 -12.414 -2.842 650 HB2 LYS 76 2HB LYS 76 -4.538 -12.010 -1.285 651 HB3 LYS 76 1HB LYS 76 -4.180 -11.276 -2.840 652 HG2 LYS 76 2HG LYS 76 -4.614 -9.102 -2.014 653 HG3 LYS 76 1HG LYS 76 -5.313 -9.734 -0.524 654 HD2 LYS 76 2HD LYS 76 -3.079 -8.919 -0.088 655 HD3 LYS 76 1HD LYS 76 -3.105 -10.676 0.072 656 HE2 LYS 76 2HE LYS 76 -1.121 -10.036 -1.118 657 HE3 LYS 76 1HE LYS 76 -2.217 -10.848 -2.237 658 HZ1 LYS 76 3HZ LYS 76 -1.844 -7.907 -1.989 659 HZ2 LYS 76 1HZ LYS 76 -2.924 -8.677 -3.048 660 HZ3 LYS 76 2HZ LYS 76 -1.257 -8.886 -3.245 661 H SER 77 H SER 77 -7.852 -9.562 -1.730 662 HA SER 77 HA SER 77 -8.252 -10.247 0.990 663 HB2 SER 77 2HB SER 77 -9.934 -8.445 -0.766 664 HB3 SER 77 1HB SER 77 -9.922 -8.466 0.996 665 HG SER 77 HG SER 77 -7.456 -8.110 -0.223 666 H LYS 78 H LYS 78 -9.448 -11.671 -1.771 667 HA LYS 78 HA LYS 78 -12.147 -12.161 -0.981 668 HB2 LYS 78 2HB LYS 78 -10.369 -13.480 -3.028 669 HB3 LYS 78 1HB LYS 78 -12.070 -13.867 -2.818 670 HG2 LYS 78 2HG LYS 78 -12.712 -11.648 -3.471 671 HG3 LYS 78 1HG LYS 78 -11.023 -11.134 -3.524 672 HD2 LYS 78 2HD LYS 78 -10.567 -12.606 -5.364 673 HD3 LYS 78 1HD LYS 78 -12.172 -13.331 -5.239 674 HE2 LYS 78 2HE LYS 78 -11.636 -10.440 -5.908 675 HE3 LYS 78 1HE LYS 78 -11.965 -11.701 -7.095 676 HZ1 LYS 78 3HZ LYS 78 -14.110 -12.081 -5.928 677 HZ2 LYS 78 1HZ LYS 78 -13.982 -10.555 -6.658 678 HZ3 LYS 78 2HZ LYS 78 -13.797 -10.708 -4.981 679 H ARG 79 H ARG 79 -9.414 -14.440 -1.353 680 HA ARG 79 HA ARG 79 -10.405 -15.954 0.930 681 HB2 ARG 79 2HB ARG 79 -10.445 -16.915 -1.896 682 HB3 ARG 79 1HB ARG 79 -10.107 -18.067 -0.612 683 HG2 ARG 79 2HG ARG 79 -12.559 -16.328 -0.781 684 HG3 ARG 79 1HG ARG 79 -12.474 -18.033 -1.238 685 HD2 ARG 79 2HD ARG 79 -11.704 -18.510 1.106 686 HD3 ARG 79 1HD ARG 79 -12.087 -16.834 1.499 687 HE ARG 79 HE ARG 79 -14.412 -17.635 0.495 688 HH11 ARG 79 1HH1 ARG 79 -12.270 -19.247 2.760 689 HH12 ARG 79 2HH1 ARG 79 -13.555 -20.108 3.545 690 HH21 ARG 79 1HH2 ARG 79 -16.089 -18.756 1.538 691 HH22 ARG 79 2HH2 ARG 79 -15.722 -19.837 2.852 692 H TRP 80 H TRP 80 -7.948 -15.720 -1.606 693 HA TRP 80 HA TRP 80 -6.194 -17.400 0.039 694 HB2 TRP 80 2HB TRP 80 -4.969 -17.748 -2.178 695 HB3 TRP 80 1HB TRP 80 -6.549 -18.506 -2.004 696 HD1 TRP 80 HD TRP 80 -8.428 -17.783 -3.650 697 HE1 TRP 80 1HE TRP 80 -8.521 -16.242 -5.716 698 HE3 TRP 80 3HE TRP 80 -3.891 -15.490 -3.143 699 HZ2 TRP 80 2HZ TRP 80 -6.885 -14.302 -6.949 700 HZ3 TRP 80 3HZ TRP 80 -3.229 -13.801 -4.806 701 HH2 TRP 80 HH TRP 80 -4.692 -13.221 -6.669 702 H GLN 81 H GLN 81 -3.843 -17.069 -0.542 703 HA GLN 81 HA GLN 81 -3.168 -14.210 -0.672 704 HB2 GLN 81 2HB GLN 81 -2.033 -16.316 1.185 705 HB3 GLN 81 1HB GLN 81 -1.283 -14.748 0.926 706 HG2 GLN 81 2HG GLN 81 -4.099 -15.073 1.914 707 HG3 GLN 81 1HG GLN 81 -2.703 -14.972 2.986 708 HE21 GLN 81 1HE2 GLN 81 -3.462 -13.086 3.917 709 HE22 GLN 81 2HE2 GLN 81 -3.412 -11.570 3.096 710 H LYS 82 H LYS 82 -1.640 -13.740 -2.163 711 HA LYS 82 HA LYS 82 -0.427 -15.982 -3.571 712 HB2 LYS 82 2HB LYS 82 -1.539 -14.084 -4.811 713 HB3 LYS 82 1HB LYS 82 -0.222 -13.051 -4.272 714 HG2 LYS 82 2HG LYS 82 1.382 -14.502 -5.432 715 HG3 LYS 82 1HG LYS 82 0.048 -15.512 -5.992 716 HD2 LYS 82 2HD LYS 82 -0.911 -13.470 -7.092 717 HD3 LYS 82 1HD LYS 82 0.582 -12.625 -6.681 718 HE2 LYS 82 2HE LYS 82 0.337 -15.084 -8.414 719 HE3 LYS 82 1HE LYS 82 0.647 -13.445 -8.976 720 HZ1 LYS 82 3HZ LYS 82 2.724 -13.508 -7.617 721 HZ2 LYS 82 1HZ LYS 82 2.705 -14.600 -8.916 722 HZ3 LYS 82 2HZ LYS 82 2.440 -15.159 -7.340 723 H ASN 83 H ASN 83 1.073 -16.640 -2.041 724 HA ASN 83 HA ASN 83 3.179 -14.786 -1.247 725 HB2 ASN 83 2HB ASN 83 2.292 -16.471 0.371 726 HB3 ASN 83 1HB ASN 83 2.914 -17.750 -0.665 727 HD21 ASN 83 1HD2 ASN 83 4.263 -18.525 0.958 728 HD22 ASN 83 2HD2 ASN 83 5.698 -17.689 1.445 729 H ASN 84 H ASN 84 2.434 -16.828 -3.781 730 HA ASN 84 HA ASN 84 5.254 -16.925 -4.620 731 HB2 ASN 84 2HB ASN 84 4.393 -19.179 -4.221 732 HB3 ASN 84 1HB ASN 84 3.018 -18.861 -5.272 733 HD21 ASN 84 1HD2 ASN 84 6.443 -19.439 -5.127 734 HD22 ASN 84 2HD2 ASN 84 6.649 -19.834 -6.800 Start of MODEL 16 1 H1 SER 1 H1 SER 1 -5.621 11.909 -4.668 2 H2 SER 1 H2 SER 1 -5.008 11.943 -3.090 3 H3 SER 1 H3 SER 1 -4.536 13.126 -4.198 4 HA SER 1 HA SER 1 -6.823 13.916 -4.320 5 HB2 SER 1 2HB SER 1 -7.840 11.737 -3.690 6 HB3 SER 1 1HB SER 1 -7.229 11.947 -2.049 7 HG SER 1 HG SER 1 -9.278 12.692 -1.962 8 H LYS 2 H LYS 2 -6.805 15.876 -3.432 9 HA LYS 2 HA LYS 2 -6.370 17.631 -2.069 10 HB2 LYS 2 2HB LYS 2 -6.153 15.428 -0.023 11 HB3 LYS 2 1HB LYS 2 -5.903 17.115 0.394 12 HG2 LYS 2 2HG LYS 2 -8.425 16.002 -0.820 13 HG3 LYS 2 1HG LYS 2 -8.176 16.317 0.898 14 HD2 LYS 2 2HD LYS 2 -8.076 18.367 -1.317 15 HD3 LYS 2 1HD LYS 2 -9.396 18.149 -0.167 16 HE2 LYS 2 2HE LYS 2 -6.560 18.922 0.531 17 HE3 LYS 2 1HE LYS 2 -7.932 20.027 0.447 18 HZ1 LYS 2 3HZ LYS 2 -7.360 19.267 2.723 19 HZ2 LYS 2 1HZ LYS 2 -7.803 17.693 2.279 20 HZ3 LYS 2 2HZ LYS 2 -8.959 18.928 2.274 21 H GLN 3 H GLN 3 -4.478 17.740 0.103 22 HA GLN 3 HA GLN 3 -1.976 17.538 -1.432 23 HB2 GLN 3 2HB GLN 3 -2.732 19.441 0.794 24 HB3 GLN 3 1HB GLN 3 -1.135 19.338 0.068 25 HG2 GLN 3 2HG GLN 3 -2.089 19.959 -2.100 26 HG3 GLN 3 1HG GLN 3 -3.678 20.098 -1.348 27 HE21 GLN 3 1HE2 GLN 3 -0.501 21.485 -1.624 28 HE22 GLN 3 2HE2 GLN 3 -0.903 23.023 -0.924 29 HA PRO 4 HA PRO 4 -1.760 14.229 1.693 30 HB2 PRO 4 2HB PRO 4 0.563 13.444 0.037 31 HB3 PRO 4 1HB PRO 4 -0.837 12.490 0.542 32 HG2 PRO 4 2HG PRO 4 -0.578 13.342 -1.976 33 HG3 PRO 4 1HG PRO 4 -2.163 13.281 -1.183 34 HD2 PRO 4 2HD PRO 4 -0.387 15.634 -1.694 35 HD3 PRO 4 1HD PRO 4 -2.154 15.505 -1.822 36 H THR 5 H THR 5 -1.060 15.791 3.275 37 HA THR 5 HA THR 5 1.751 16.247 3.618 38 HB THR 5 HB THR 5 0.101 17.832 4.539 39 HG1 THR 5 1HG THR 5 2.251 17.131 5.672 40 HG21 THR 5 3HG2 THR 5 -1.227 17.238 6.508 41 HG22 THR 5 1HG2 THR 5 -0.641 15.575 6.400 42 HG23 THR 5 2HG2 THR 5 -1.655 16.238 5.120 43 H SER 6 H SER 6 -0.467 13.759 4.307 44 HA SER 6 HA SER 6 1.183 12.525 6.347 45 HB2 SER 6 2HB SER 6 -1.318 12.473 6.497 46 HB3 SER 6 1HB SER 6 -1.342 11.468 5.048 47 HG SER 6 HG SER 6 -1.323 9.977 6.581 48 H ALA 7 H ALA 7 3.009 11.837 5.455 49 HA ALA 7 HA ALA 7 2.873 9.495 3.760 50 HB1 ALA 7 1HB ALA 7 3.048 11.343 2.123 51 HB2 ALA 7 2HB ALA 7 4.474 10.305 2.117 52 HB3 ALA 7 3HB ALA 7 4.532 11.878 2.912 53 H GLU 8 H GLU 8 4.884 11.900 5.350 54 HA GLU 8 HA GLU 8 6.877 9.951 6.100 55 HB2 GLU 8 2HB GLU 8 7.558 12.240 5.587 56 HB3 GLU 8 1HB GLU 8 6.499 12.863 6.843 57 HG2 GLU 8 2HG GLU 8 7.856 11.677 8.523 58 HG3 GLU 8 1HG GLU 8 8.949 11.165 7.236 59 H ASN 9 H ASN 9 5.549 8.487 7.278 60 HA ASN 9 HA ASN 9 4.585 9.498 9.868 61 HB2 ASN 9 2HB ASN 9 3.898 7.025 8.287 62 HB3 ASN 9 1HB ASN 9 3.524 7.153 9.999 63 HD21 ASN 9 1HD2 ASN 9 3.384 9.889 7.808 64 HD22 ASN 9 2HD2 ASN 9 1.662 10.050 7.830 65 H SER 10 H SER 10 6.397 9.553 11.090 66 HA SER 10 HA SER 10 8.287 7.351 11.007 67 HB2 SER 10 2HB SER 10 9.539 8.863 12.635 68 HB3 SER 10 1HB SER 10 9.273 9.517 11.018 69 HG SER 10 HG SER 10 8.352 10.401 13.433 70 H VAL 11 H VAL 11 5.645 6.838 12.105 71 HA VAL 11 HA VAL 11 6.337 6.357 14.921 72 HB VAL 11 HB VAL 11 3.911 6.463 15.440 73 HG11 VAL 11 1HG1 VAL 11 5.088 8.956 14.214 74 HG12 VAL 11 2HG1 VAL 11 5.322 8.393 15.869 75 HG13 VAL 11 3HG1 VAL 11 3.725 8.913 15.331 76 HG21 VAL 11 3HG2 VAL 11 2.409 7.572 13.822 77 HG22 VAL 11 1HG2 VAL 11 2.979 6.003 13.253 78 HG23 VAL 11 2HG2 VAL 11 3.687 7.484 12.610 79 H ALA 12 H ALA 12 5.924 4.389 15.788 80 HA ALA 12 HA ALA 12 5.355 2.213 16.011 81 HB1 ALA 12 1HB ALA 12 3.383 2.730 13.792 82 HB2 ALA 12 2HB ALA 12 3.091 3.018 15.508 83 HB3 ALA 12 3HB ALA 12 3.364 1.377 14.920 84 H LYS 13 H LYS 13 4.762 0.184 14.373 85 HA LYS 13 HA LYS 13 6.944 0.139 12.392 86 HB2 LYS 13 2HB LYS 13 5.855 -2.203 13.974 87 HB3 LYS 13 1HB LYS 13 7.217 -2.232 12.860 88 HG2 LYS 13 2HG LYS 13 8.443 -0.700 14.334 89 HG3 LYS 13 1HG LYS 13 7.087 -0.720 15.458 90 HD2 LYS 13 2HD LYS 13 7.386 -3.129 15.769 91 HD3 LYS 13 1HD LYS 13 8.749 -3.099 14.646 92 HE2 LYS 13 2HE LYS 13 8.561 -1.650 17.286 93 HE3 LYS 13 1HE LYS 13 9.549 -3.067 16.936 94 HZ1 LYS 13 3HZ LYS 13 10.929 -1.149 16.847 95 HZ2 LYS 13 1HZ LYS 13 9.868 -0.341 15.802 96 HZ3 LYS 13 2HZ LYS 13 10.728 -1.697 15.259 97 H LYS 14 H LYS 14 3.781 -1.107 13.282 98 HA LYS 14 HA LYS 14 3.020 -0.986 10.447 99 HB2 LYS 14 2HB LYS 14 2.200 -3.010 12.534 100 HB3 LYS 14 1HB LYS 14 1.222 -2.699 11.110 101 HG2 LYS 14 2HG LYS 14 3.205 -3.312 9.720 102 HG3 LYS 14 1HG LYS 14 4.009 -3.811 11.211 103 HD2 LYS 14 2HD LYS 14 3.100 -5.805 10.445 104 HD3 LYS 14 1HD LYS 14 1.882 -5.248 11.588 105 HE2 LYS 14 2HE LYS 14 1.763 -4.847 8.597 106 HE3 LYS 14 1HE LYS 14 0.931 -6.127 9.471 107 HZ1 LYS 14 3HZ LYS 14 -0.578 -4.333 9.028 108 HZ2 LYS 14 1HZ LYS 14 0.458 -3.200 9.733 109 HZ3 LYS 14 2HZ LYS 14 -0.301 -4.380 10.693 110 H GLU 15 H GLU 15 0.479 -0.927 10.412 111 HA GLU 15 HA GLU 15 -0.468 1.313 11.868 112 HB2 GLU 15 2HB GLU 15 -2.420 -0.673 10.833 113 HB3 GLU 15 1HB GLU 15 -2.398 1.072 10.643 114 HG2 GLU 15 2HG GLU 15 -2.052 0.288 8.490 115 HG3 GLU 15 1HG GLU 15 -0.421 0.664 9.045 116 H ASP 16 H ASP 16 -0.207 -2.031 12.500 117 HA ASP 16 HA ASP 16 -1.991 -1.891 14.828 118 HB2 ASP 16 2HB ASP 16 -0.726 -4.434 13.857 119 HB3 ASP 16 1HB ASP 16 -2.252 -4.207 14.704 120 H LYS 17 H LYS 17 -1.231 -2.720 16.833 121 HA LYS 17 HA LYS 17 1.607 -2.264 17.276 122 HB2 LYS 17 2HB LYS 17 -0.225 -1.328 18.746 123 HB3 LYS 17 1HB LYS 17 -0.536 -2.970 19.289 124 HG2 LYS 17 2HG LYS 17 1.794 -3.092 20.115 125 HG3 LYS 17 1HG LYS 17 2.002 -1.396 19.674 126 HD2 LYS 17 2HD LYS 17 0.212 -0.767 21.203 127 HD3 LYS 17 1HD LYS 17 -0.052 -2.463 21.609 128 HE2 LYS 17 2HE LYS 17 2.249 -2.581 22.486 129 HE3 LYS 17 1HE LYS 17 2.448 -0.863 22.139 130 HZ1 LYS 17 3HZ LYS 17 0.483 -2.060 24.019 131 HZ2 LYS 17 1HZ LYS 17 0.591 -0.407 23.649 132 HZ3 LYS 17 2HZ LYS 17 1.872 -1.186 24.446 133 H VAL 18 H VAL 18 1.067 -4.530 15.736 134 HA VAL 18 HA VAL 18 1.728 -6.725 17.585 135 HB VAL 18 HB VAL 18 0.280 -7.027 14.947 136 HG11 VAL 18 1HG1 VAL 18 0.771 -9.011 17.169 137 HG12 VAL 18 2HG1 VAL 18 1.611 -8.971 15.619 138 HG13 VAL 18 3HG1 VAL 18 -0.117 -9.321 15.674 139 HG21 VAL 18 3HG2 VAL 18 -0.832 -7.085 17.752 140 HG22 VAL 18 1HG2 VAL 18 -1.724 -7.533 16.295 141 HG23 VAL 18 2HG2 VAL 18 -1.166 -5.874 16.514 142 HA PRO 19 HA PRO 19 5.266 -6.368 14.689 143 HB2 PRO 19 2HB PRO 19 7.031 -6.680 16.923 144 HB3 PRO 19 1HB PRO 19 6.749 -5.229 15.959 145 HG2 PRO 19 2HG PRO 19 6.035 -5.510 18.609 146 HG3 PRO 19 1HG PRO 19 5.301 -4.355 17.483 147 HD2 PRO 19 2HD PRO 19 4.297 -7.031 18.382 148 HD3 PRO 19 1HD PRO 19 3.396 -5.524 18.103 149 H VAL 20 H VAL 20 4.660 -8.456 13.917 150 HA VAL 20 HA VAL 20 6.225 -10.625 15.087 151 HB VAL 20 HB VAL 20 3.410 -10.980 14.036 152 HG11 VAL 20 1HG1 VAL 20 5.270 -12.959 15.351 153 HG12 VAL 20 2HG1 VAL 20 4.839 -12.917 13.641 154 HG13 VAL 20 3HG1 VAL 20 3.609 -13.276 14.853 155 HG21 VAL 20 3HG2 VAL 20 4.406 -11.084 16.880 156 HG22 VAL 20 1HG2 VAL 20 2.778 -11.505 16.346 157 HG23 VAL 20 2HG2 VAL 20 3.360 -9.848 16.185 158 H LYS 21 H LYS 21 7.723 -10.157 13.404 159 HA LYS 21 HA LYS 21 7.030 -11.524 10.937 160 HB2 LYS 21 2HB LYS 21 7.572 -9.804 9.442 161 HB3 LYS 21 1HB LYS 21 6.612 -8.990 10.667 162 HG2 LYS 21 2HG LYS 21 8.640 -8.133 11.711 163 HG3 LYS 21 1HG LYS 21 9.623 -8.982 10.515 164 HD2 LYS 21 2HD LYS 21 8.339 -7.666 8.756 165 HD3 LYS 21 1HD LYS 21 7.740 -6.674 10.088 166 HE2 LYS 21 2HE LYS 21 9.647 -5.578 9.141 167 HE3 LYS 21 1HE LYS 21 10.106 -6.213 10.719 168 HZ1 LYS 21 3HZ LYS 21 11.770 -6.581 8.918 169 HZ2 LYS 21 1HZ LYS 21 10.665 -7.621 8.166 170 HZ3 LYS 21 2HZ LYS 21 11.275 -8.002 9.698 171 H LYS 22 H LYS 22 8.758 -12.514 9.965 172 HA LYS 22 HA LYS 22 11.446 -11.609 10.555 173 HB2 LYS 22 2HB LYS 22 10.918 -13.426 12.251 174 HB3 LYS 22 1HB LYS 22 10.790 -14.543 10.894 175 HG2 LYS 22 2HG LYS 22 13.112 -13.991 10.259 176 HG3 LYS 22 1HG LYS 22 13.227 -12.954 11.680 177 HD2 LYS 22 2HD LYS 22 12.857 -14.879 13.128 178 HD3 LYS 22 1HD LYS 22 12.697 -15.923 11.711 179 HE2 LYS 22 2HE LYS 22 14.986 -15.397 11.050 180 HE3 LYS 22 1HE LYS 22 15.151 -14.324 12.439 181 HZ1 LYS 22 3HZ LYS 22 14.718 -17.261 12.536 182 HZ2 LYS 22 1HZ LYS 22 14.811 -16.243 13.891 183 HZ3 LYS 22 2HZ LYS 22 16.161 -16.446 12.887 184 H GLN 23 H GLN 23 9.906 -11.307 8.320 185 HA GLN 23 HA GLN 23 10.845 -13.296 6.422 186 HB2 GLN 23 2HB GLN 23 9.566 -11.686 4.793 187 HB3 GLN 23 1HB GLN 23 8.687 -12.819 5.802 188 HG2 GLN 23 2HG GLN 23 7.539 -10.744 5.839 189 HG3 GLN 23 1HG GLN 23 8.280 -10.978 7.418 190 HE21 GLN 23 1HE2 GLN 23 8.419 -9.191 4.422 191 HE22 GLN 23 2HE2 GLN 23 9.383 -7.889 5.022 192 H LYS 24 H LYS 24 11.985 -12.644 4.496 193 HA LYS 24 HA LYS 24 13.703 -10.311 5.012 194 HB2 LYS 24 2HB LYS 24 14.904 -12.452 5.235 195 HB3 LYS 24 1HB LYS 24 14.420 -12.886 3.601 196 HG2 LYS 24 2HG LYS 24 15.757 -11.159 2.657 197 HG3 LYS 24 1HG LYS 24 16.082 -10.467 4.249 198 HD2 LYS 24 2HD LYS 24 16.966 -13.194 3.307 199 HD3 LYS 24 1HD LYS 24 17.991 -11.761 3.406 200 HE2 LYS 24 2HE LYS 24 16.633 -13.173 5.698 201 HE3 LYS 24 1HE LYS 24 18.359 -13.165 5.338 202 HZ1 LYS 24 3HZ LYS 24 17.908 -11.600 7.077 203 HZ2 LYS 24 1HZ LYS 24 16.705 -10.835 6.156 204 HZ3 LYS 24 2HZ LYS 24 18.327 -10.734 5.680 205 H THR 25 H THR 25 12.462 -12.408 2.424 206 HA THR 25 HA THR 25 12.051 -12.040 0.222 207 HB THR 25 HB THR 25 10.690 -10.009 -0.297 208 HG1 THR 25 1HG THR 25 11.783 -9.138 2.011 209 HG21 THR 25 3HG2 THR 25 8.787 -10.654 1.101 210 HG22 THR 25 1HG2 THR 25 9.870 -11.554 2.164 211 HG23 THR 25 2HG2 THR 25 9.646 -12.068 0.493 212 H ARG 26 H ARG 26 12.064 -9.730 -1.383 213 HA ARG 26 HA ARG 26 14.916 -9.025 -1.302 214 HB2 ARG 26 2HB ARG 26 13.972 -10.260 -3.324 215 HB3 ARG 26 1HB ARG 26 13.111 -8.778 -3.703 216 HG2 ARG 26 2HG ARG 26 15.224 -9.051 -4.957 217 HG3 ARG 26 1HG ARG 26 15.163 -7.578 -3.985 218 HD2 ARG 26 2HD ARG 26 17.334 -8.922 -3.930 219 HD3 ARG 26 1HD ARG 26 16.647 -8.445 -2.380 220 HE ARG 26 HE ARG 26 16.241 -10.659 -1.889 221 HH11 ARG 26 1HH1 ARG 26 17.214 -10.369 -5.245 222 HH12 ARG 26 2HH1 ARG 26 17.391 -12.086 -5.473 223 HH21 ARG 26 1HH2 ARG 26 16.489 -12.894 -2.163 224 HH22 ARG 26 2HH2 ARG 26 16.975 -13.535 -3.709 225 H THR 27 H THR 27 11.676 -7.802 -1.349 226 HA THR 27 HA THR 27 12.737 -5.139 -0.755 227 HB THR 27 HB THR 27 10.653 -4.199 -1.856 228 HG1 THR 27 1HG THR 27 9.550 -6.210 -2.102 229 HG21 THR 27 3HG2 THR 27 11.635 -4.220 -4.113 230 HG22 THR 27 1HG2 THR 27 12.709 -5.530 -3.626 231 HG23 THR 27 2HG2 THR 27 12.853 -3.942 -2.869 232 H VAL 28 H VAL 28 11.698 -4.098 0.891 233 HA VAL 28 HA VAL 28 9.614 -5.661 2.261 234 HB VAL 28 HB VAL 28 10.576 -4.945 4.424 235 HG11 VAL 28 1HG1 VAL 28 12.516 -6.458 4.394 236 HG12 VAL 28 2HG1 VAL 28 12.458 -6.467 2.629 237 HG13 VAL 28 3HG1 VAL 28 11.120 -7.140 3.560 238 HG21 VAL 28 3HG2 VAL 28 12.893 -3.956 2.764 239 HG22 VAL 28 1HG2 VAL 28 12.830 -4.033 4.525 240 HG23 VAL 28 2HG2 VAL 28 11.757 -2.940 3.651 241 H PHE 29 H PHE 29 8.174 -4.473 3.595 242 HA PHE 29 HA PHE 29 7.613 -1.833 2.570 243 HB2 PHE 29 2HB PHE 29 6.151 -3.591 4.543 244 HB3 PHE 29 1HB PHE 29 5.589 -2.012 4.031 245 HD1 PHE 29 2HD PHE 29 6.167 -5.480 2.967 246 HD2 PHE 29 1HD PHE 29 4.552 -1.684 1.913 247 HE1 PHE 29 2HE PHE 29 4.998 -6.509 1.064 248 HE2 PHE 29 1HE PHE 29 3.377 -2.710 0.009 249 HZ PHE 29 HZ PHE 29 3.601 -5.124 -0.417 250 H SER 30 H SER 30 8.087 -0.004 3.568 251 HA SER 30 HA SER 30 9.500 -0.063 6.088 252 HB2 SER 30 2HB SER 30 8.701 2.331 4.412 253 HB3 SER 30 1HB SER 30 9.926 2.284 5.680 254 HG SER 30 HG SER 30 10.507 0.386 3.925 255 H SER 31 H SER 31 8.856 1.217 7.933 256 HA SER 31 HA SER 31 6.264 0.825 8.814 257 HB2 SER 31 2HB SER 31 7.910 3.149 9.777 258 HB3 SER 31 1HB SER 31 6.884 2.059 10.709 259 HG SER 31 HG SER 31 9.487 1.883 10.314 260 H THR 32 H THR 32 7.718 3.661 7.292 261 HA THR 32 HA THR 32 5.545 5.420 7.495 262 HB THR 32 HB THR 32 6.636 6.524 5.470 263 HG1 THR 32 1HG THR 32 8.243 5.514 4.508 264 HG21 THR 32 3HG2 THR 32 8.368 5.904 7.865 265 HG22 THR 32 1HG2 THR 32 7.180 7.201 7.752 266 HG23 THR 32 2HG2 THR 32 8.619 7.233 6.732 267 H GLN 33 H GLN 33 6.486 3.117 4.987 268 HA GLN 33 HA GLN 33 4.576 3.886 3.069 269 HB2 GLN 33 2HB GLN 33 6.643 2.612 2.575 270 HB3 GLN 33 1HB GLN 33 5.963 1.218 3.400 271 HG2 GLN 33 2HG GLN 33 4.269 0.976 1.736 272 HG3 GLN 33 1HG GLN 33 4.719 2.506 0.984 273 HE21 GLN 33 1HE2 GLN 33 6.567 2.618 -0.266 274 HE22 GLN 33 2HE2 GLN 33 7.386 1.211 -0.840 275 H LEU 34 H LEU 34 4.555 1.341 5.545 276 HA LEU 34 HA LEU 34 2.061 0.223 4.872 277 HB2 LEU 34 2HB LEU 34 3.523 0.361 7.507 278 HB3 LEU 34 1HB LEU 34 2.059 -0.572 7.260 279 HG LEU 34 HG LEU 34 4.649 -1.014 5.776 280 HD11 LEU 34 1HD1 LEU 34 4.848 -1.579 8.145 281 HD12 LEU 34 2HD1 LEU 34 4.868 -3.021 7.129 282 HD13 LEU 34 3HD1 LEU 34 3.409 -2.592 8.023 283 HD21 LEU 34 3HD2 LEU 34 3.556 -3.109 5.063 284 HD22 LEU 34 1HD2 LEU 34 2.724 -1.672 4.464 285 HD23 LEU 34 2HD2 LEU 34 2.065 -2.568 5.833 286 H CYS 35 H CYS 35 2.950 2.868 7.041 287 HA CYS 35 HA CYS 35 0.377 3.332 8.076 288 HB2 CYS 35 2HB CYS 35 2.698 5.237 7.734 289 HB3 CYS 35 1HB CYS 35 1.254 5.578 8.680 290 HG CYS 35 HG CYS 35 3.656 3.240 9.345 291 H VAL 36 H VAL 36 2.032 4.614 5.213 292 HA VAL 36 HA VAL 36 0.012 6.472 4.508 293 HB VAL 36 HB VAL 36 2.035 5.113 2.719 294 HG11 VAL 36 1HG1 VAL 36 0.193 6.030 1.427 295 HG12 VAL 36 2HG1 VAL 36 1.650 6.994 1.194 296 HG13 VAL 36 3HG1 VAL 36 0.366 7.580 2.251 297 HG21 VAL 36 3HG2 VAL 36 3.317 7.186 2.973 298 HG22 VAL 36 1HG2 VAL 36 3.082 6.372 4.520 299 HG23 VAL 36 2HG2 VAL 36 2.112 7.788 4.112 300 H LEU 37 H LEU 37 0.553 3.081 3.659 301 HA LEU 37 HA LEU 37 -1.534 2.873 1.776 302 HB2 LEU 37 2HB LEU 37 -0.343 0.770 3.586 303 HB3 LEU 37 1HB LEU 37 -1.426 0.435 2.248 304 HG LEU 37 HG LEU 37 1.310 1.690 2.008 305 HD11 LEU 37 1HD1 LEU 37 0.348 -1.075 1.293 306 HD12 LEU 37 2HD1 LEU 37 1.443 -0.662 2.613 307 HD13 LEU 37 3HD1 LEU 37 1.945 -0.416 0.940 308 HD21 LEU 37 3HD2 LEU 37 -0.686 0.853 -0.090 309 HD22 LEU 37 1HD2 LEU 37 0.977 1.347 -0.410 310 HD23 LEU 37 2HD2 LEU 37 -0.167 2.499 0.277 311 H ASN 38 H ASN 38 -1.438 2.307 5.277 312 HA ASN 38 HA ASN 38 -4.184 1.636 5.544 313 HB2 ASN 38 2HB ASN 38 -2.455 1.162 7.271 314 HB3 ASN 38 1HB ASN 38 -2.365 2.887 7.613 315 HD21 ASN 38 1HD2 ASN 38 -4.191 -0.012 7.969 316 HD22 ASN 38 2HD2 ASN 38 -5.364 0.602 9.081 317 H ASP 39 H ASP 39 -2.403 4.643 5.592 318 HA ASP 39 HA ASP 39 -4.252 6.419 6.620 319 HB2 ASP 39 2HB ASP 39 -1.950 7.041 6.122 320 HB3 ASP 39 1HB ASP 39 -2.224 6.801 4.403 321 H ARG 40 H ARG 40 -3.880 5.254 3.316 322 HA ARG 40 HA ARG 40 -6.046 6.824 2.291 323 HB2 ARG 40 2HB ARG 40 -4.067 4.952 1.224 324 HB3 ARG 40 1HB ARG 40 -5.639 4.829 0.446 325 HG2 ARG 40 2HG ARG 40 -4.156 6.377 -0.727 326 HG3 ARG 40 1HG ARG 40 -5.592 7.186 -0.101 327 HD2 ARG 40 2HD ARG 40 -4.299 8.039 1.784 328 HD3 ARG 40 1HD ARG 40 -2.864 7.202 1.186 329 HE ARG 40 HE ARG 40 -3.506 8.705 -0.915 330 HH11 ARG 40 1HH1 ARG 40 -3.285 9.519 2.495 331 HH12 ARG 40 2HH1 ARG 40 -2.817 11.162 2.181 332 HH21 ARG 40 1HH2 ARG 40 -2.892 10.876 -1.322 333 HH22 ARG 40 2HH2 ARG 40 -2.604 11.931 0.022 334 H PHE 41 H PHE 41 -5.623 3.363 3.012 335 HA PHE 41 HA PHE 41 -8.209 2.678 2.053 336 HB2 PHE 41 2HB PHE 41 -6.111 1.176 3.587 337 HB3 PHE 41 1HB PHE 41 -7.695 0.467 3.270 338 HD1 PHE 41 1HD PHE 41 -8.369 1.316 0.652 339 HD2 PHE 41 2HD PHE 41 -4.568 0.173 2.175 340 HE1 PHE 41 1HE PHE 41 -7.664 0.700 -1.597 341 HE2 PHE 41 2HE PHE 41 -3.848 -0.464 -0.093 342 HZ PHE 41 HZ PHE 41 -5.399 -0.200 -1.988 343 H GLN 42 H GLN 42 -7.105 3.869 5.096 344 HA GLN 42 HA GLN 42 -9.297 2.771 6.606 345 HB2 GLN 42 2HB GLN 42 -6.989 3.462 7.497 346 HB3 GLN 42 1HB GLN 42 -7.586 5.112 7.434 347 HG2 GLN 42 2HG GLN 42 -9.220 3.103 8.880 348 HG3 GLN 42 1HG GLN 42 -7.711 3.629 9.619 349 HE21 GLN 42 1HE2 GLN 42 -10.916 4.554 8.668 350 HE22 GLN 42 2HE2 GLN 42 -10.958 6.057 9.529 351 H ARG 43 H ARG 43 -8.558 5.873 5.068 352 HA ARG 43 HA ARG 43 -11.135 6.922 6.010 353 HB2 ARG 43 2HB ARG 43 -8.845 8.404 4.715 354 HB3 ARG 43 1HB ARG 43 -10.284 9.126 5.425 355 HG2 ARG 43 2HG ARG 43 -9.625 8.236 7.618 356 HG3 ARG 43 1HG ARG 43 -8.163 7.572 6.892 357 HD2 ARG 43 2HD ARG 43 -7.602 9.911 6.157 358 HD3 ARG 43 1HD ARG 43 -8.934 10.466 7.170 359 HE ARG 43 HE ARG 43 -7.730 9.694 9.093 360 HH11 ARG 43 1HH1 ARG 43 -5.945 9.598 6.098 361 HH12 ARG 43 2HH1 ARG 43 -4.381 9.582 6.856 362 HH21 ARG 43 1HH2 ARG 43 -5.696 9.690 10.128 363 HH22 ARG 43 2HH2 ARG 43 -4.246 9.636 9.168 364 H GLN 44 H GLN 44 -9.768 5.526 3.309 365 HA GLN 44 HA GLN 44 -12.031 6.412 1.659 366 HB2 GLN 44 2HB GLN 44 -9.644 7.392 1.084 367 HB3 GLN 44 1HB GLN 44 -9.374 5.795 0.406 368 HG2 GLN 44 2HG GLN 44 -10.061 7.101 -1.393 369 HG3 GLN 44 1HG GLN 44 -11.502 6.193 -0.933 370 HE21 GLN 44 1HE2 GLN 44 -13.219 7.270 0.026 371 HE22 GLN 44 2HE2 GLN 44 -13.352 8.994 0.007 372 H LYS 45 H LYS 45 -13.009 4.718 0.557 373 HA LYS 45 HA LYS 45 -12.604 2.149 1.657 374 HB2 LYS 45 2HB LYS 45 -14.217 3.040 -0.733 375 HB3 LYS 45 1HB LYS 45 -14.268 1.412 -0.067 376 HG2 LYS 45 2HG LYS 45 -15.142 2.240 2.017 377 HG3 LYS 45 1HG LYS 45 -14.956 3.908 1.473 378 HD2 LYS 45 2HD LYS 45 -16.589 3.522 -0.297 379 HD3 LYS 45 1HD LYS 45 -16.761 1.842 0.217 380 HE2 LYS 45 2HE LYS 45 -17.655 2.532 2.342 381 HE3 LYS 45 1HE LYS 45 -17.346 4.227 1.966 382 HZ1 LYS 45 3HZ LYS 45 -19.676 3.600 1.652 383 HZ2 LYS 45 1HZ LYS 45 -19.219 2.468 0.471 384 HZ3 LYS 45 2HZ LYS 45 -18.965 4.125 0.205 385 H TYR 46 H TYR 46 -11.633 3.601 -1.396 386 HA TYR 46 HA TYR 46 -9.671 1.508 -1.771 387 HB2 TYR 46 2HB TYR 46 -11.912 1.975 -3.739 388 HB3 TYR 46 1HB TYR 46 -10.389 1.228 -4.208 389 HD1 TYR 46 2HD TYR 46 -9.664 -0.784 -2.593 390 HD2 TYR 46 1HD TYR 46 -13.655 0.573 -3.200 391 HE1 TYR 46 2HE TYR 46 -10.513 -2.985 -1.887 392 HE2 TYR 46 1HE TYR 46 -14.516 -1.617 -2.490 393 HH TYR 46 HH TYR 46 -12.579 -3.954 -0.965 394 H LEU 47 H LEU 47 -8.213 2.015 -3.606 395 HA LEU 47 HA LEU 47 -7.576 4.816 -3.647 396 HB2 LEU 47 2HB LEU 47 -6.350 2.429 -5.023 397 HB3 LEU 47 1HB LEU 47 -5.732 4.063 -5.183 398 HG LEU 47 HG LEU 47 -5.949 2.585 -2.565 399 HD11 LEU 47 1HD1 LEU 47 -3.549 3.025 -4.340 400 HD12 LEU 47 2HD1 LEU 47 -4.343 1.481 -4.029 401 HD13 LEU 47 3HD1 LEU 47 -3.517 2.329 -2.722 402 HD21 LEU 47 3HD2 LEU 47 -4.476 4.366 -1.747 403 HD22 LEU 47 1HD2 LEU 47 -6.010 5.003 -2.337 404 HD23 LEU 47 2HD2 LEU 47 -4.558 5.149 -3.326 405 H SER 48 H SER 48 -8.373 6.218 -5.021 406 HA SER 48 HA SER 48 -9.914 5.453 -7.287 407 HB2 SER 48 2HB SER 48 -8.908 8.221 -6.604 408 HB3 SER 48 1HB SER 48 -10.338 7.793 -7.543 409 HG SER 48 HG SER 48 -11.416 7.685 -5.755 410 H LEU 49 H LEU 49 -9.400 6.722 -9.391 411 HA LEU 49 HA LEU 49 -7.005 5.684 -10.441 412 HB2 LEU 49 2HB LEU 49 -8.944 7.723 -11.535 413 HB3 LEU 49 1HB LEU 49 -7.665 6.972 -12.450 414 HG LEU 49 HG LEU 49 -10.012 5.529 -11.235 415 HD11 LEU 49 1HD1 LEU 49 -9.353 6.211 -14.096 416 HD12 LEU 49 2HD1 LEU 49 -10.667 6.886 -13.134 417 HD13 LEU 49 3HD1 LEU 49 -10.682 5.179 -13.576 418 HD21 LEU 49 3HD2 LEU 49 -9.184 3.600 -12.524 419 HD22 LEU 49 1HD2 LEU 49 -8.052 4.110 -11.270 420 HD23 LEU 49 2HD2 LEU 49 -7.748 4.529 -12.956 421 H GLN 50 H GLN 50 -8.061 8.882 -9.438 422 HA GLN 50 HA GLN 50 -5.690 10.269 -10.132 423 HB2 GLN 50 2HB GLN 50 -7.884 11.343 -9.696 424 HB3 GLN 50 1HB GLN 50 -7.756 10.899 -8.005 425 HG2 GLN 50 2HG GLN 50 -5.721 12.646 -9.345 426 HG3 GLN 50 1HG GLN 50 -7.205 13.298 -8.659 427 HE21 GLN 50 1HE2 GLN 50 -4.447 13.799 -7.915 428 HE22 GLN 50 2HE2 GLN 50 -4.292 13.345 -6.251 429 H GLN 51 H GLN 51 -6.671 8.388 -7.345 430 HA GLN 51 HA GLN 51 -4.612 9.372 -5.633 431 HB2 GLN 51 2HB GLN 51 -6.549 7.085 -5.411 432 HB3 GLN 51 1HB GLN 51 -5.333 7.408 -4.187 433 HG2 GLN 51 2HG GLN 51 -6.286 9.722 -3.993 434 HG3 GLN 51 1HG GLN 51 -7.607 9.180 -5.030 435 HE21 GLN 51 1HE2 GLN 51 -9.156 7.786 -4.204 436 HE22 GLN 51 2HE2 GLN 51 -9.255 7.404 -2.520 437 H MET 52 H MET 52 -5.057 6.377 -7.512 438 HA MET 52 HA MET 52 -2.774 5.069 -6.522 439 HB2 MET 52 2HB MET 52 -2.922 3.644 -8.539 440 HB3 MET 52 1HB MET 52 -4.452 3.811 -7.692 441 HG2 MET 52 2HG MET 52 -5.124 5.519 -9.356 442 HG3 MET 52 1HG MET 52 -3.627 5.195 -10.228 443 HE1 MET 52 3HE MET 52 -7.027 3.648 -8.966 444 HE2 MET 52 1HE MET 52 -5.814 2.542 -8.317 445 HE3 MET 52 2HE MET 52 -6.905 2.005 -9.593 446 H GLN 53 H GLN 53 -3.112 7.376 -9.190 447 HA GLN 53 HA GLN 53 -0.393 7.020 -10.056 448 HB2 GLN 53 2HB GLN 53 -0.797 9.180 -11.324 449 HB3 GLN 53 1HB GLN 53 -1.853 7.836 -11.732 450 HG2 GLN 53 2HG GLN 53 -3.671 8.786 -10.566 451 HG3 GLN 53 1HG GLN 53 -2.637 9.983 -9.789 452 HE21 GLN 53 1HE2 GLN 53 -2.320 9.161 -13.157 453 HE22 GLN 53 2HE2 GLN 53 -2.902 10.666 -13.776 454 H GLU 54 H GLU 54 -2.093 9.152 -7.884 455 HA GLU 54 HA GLU 54 -0.026 10.971 -7.335 456 HB2 GLU 54 2HB GLU 54 -2.316 11.400 -6.681 457 HB3 GLU 54 1HB GLU 54 -2.322 9.990 -5.636 458 HG2 GLU 54 2HG GLU 54 -0.661 11.053 -4.196 459 HG3 GLU 54 1HG GLU 54 -0.669 12.470 -5.246 460 H LEU 55 H LEU 55 -1.013 7.988 -5.678 461 HA LEU 55 HA LEU 55 0.851 8.057 -3.631 462 HB2 LEU 55 2HB LEU 55 -0.931 6.073 -4.863 463 HB3 LEU 55 1HB LEU 55 0.433 5.412 -4.003 464 HG LEU 55 HG LEU 55 -1.523 5.511 -2.555 465 HD11 LEU 55 1HD1 LEU 55 -0.553 6.688 -0.679 466 HD12 LEU 55 2HD1 LEU 55 0.516 7.583 -1.757 467 HD13 LEU 55 3HD1 LEU 55 0.711 5.840 -1.574 468 HD21 LEU 55 3HD2 LEU 55 -2.470 7.674 -1.889 469 HD22 LEU 55 1HD2 LEU 55 -2.695 7.354 -3.611 470 HD23 LEU 55 2HD2 LEU 55 -1.446 8.479 -3.079 471 H SER 56 H SER 56 1.064 6.600 -6.844 472 HA SER 56 HA SER 56 3.551 5.361 -6.447 473 HB2 SER 56 2HB SER 56 3.715 5.499 -8.997 474 HB3 SER 56 1HB SER 56 2.334 4.633 -8.329 475 HG SER 56 HG SER 56 2.088 7.371 -8.902 476 H ASN 57 H ASN 57 2.705 8.627 -7.458 477 HA ASN 57 HA ASN 57 5.324 9.381 -8.262 478 HB2 ASN 57 2HB ASN 57 3.289 10.592 -8.979 479 HB3 ASN 57 1HB ASN 57 3.037 11.131 -7.323 480 HD21 ASN 57 1HD2 ASN 57 4.953 11.477 -10.193 481 HD22 ASN 57 2HD2 ASN 57 5.751 12.943 -9.730 482 H ILE 58 H ILE 58 3.575 9.517 -5.210 483 HA ILE 58 HA ILE 58 5.522 11.140 -3.875 484 HB ILE 58 HB ILE 58 3.413 9.383 -2.616 485 HG12 ILE 58 2HG1 ILE 58 3.245 12.222 -3.635 486 HG13 ILE 58 1HG1 ILE 58 2.345 10.836 -4.229 487 HG21 ILE 58 1HG2 ILE 58 4.855 11.833 -1.610 488 HG22 ILE 58 2HG2 ILE 58 5.108 10.177 -1.062 489 HG23 ILE 58 3HG2 ILE 58 3.568 10.982 -0.758 490 HD11 ILE 58 3HD1 ILE 58 0.941 12.248 -2.860 491 HD12 ILE 58 1HD1 ILE 58 2.066 12.093 -1.511 492 HD13 ILE 58 2HD1 ILE 58 1.180 10.681 -2.087 493 H LEU 59 H LEU 59 4.735 7.682 -3.887 494 HA LEU 59 HA LEU 59 6.776 7.082 -1.951 495 HB2 LEU 59 2HB LEU 59 4.785 5.487 -3.493 496 HB3 LEU 59 1HB LEU 59 6.141 4.659 -2.755 497 HG LEU 59 HG LEU 59 4.191 4.539 -1.319 498 HD11 LEU 59 1HD1 LEU 59 6.322 6.369 -0.235 499 HD12 LEU 59 2HD1 LEU 59 6.340 4.606 -0.226 500 HD13 LEU 59 3HD1 LEU 59 5.152 5.480 0.742 501 HD21 LEU 59 3HD2 LEU 59 3.008 6.532 -2.018 502 HD22 LEU 59 1HD2 LEU 59 4.271 7.551 -1.328 503 HD23 LEU 59 2HD2 LEU 59 3.262 6.564 -0.273 504 H ASN 60 H ASN 60 7.121 7.993 -4.996 505 HA ASN 60 HA ASN 60 8.703 7.808 -6.595 506 HB2 ASN 60 2HB ASN 60 10.197 6.576 -4.282 507 HB3 ASN 60 1HB ASN 60 10.923 6.784 -5.866 508 HD21 ASN 60 1HD2 ASN 60 8.693 9.005 -4.280 509 HD22 ASN 60 2HD2 ASN 60 9.825 10.302 -4.110 510 H LEU 61 H LEU 61 6.677 5.845 -6.460 511 HA LEU 61 HA LEU 61 8.074 3.449 -7.457 512 HB2 LEU 61 2HB LEU 61 5.300 3.725 -6.291 513 HB3 LEU 61 1HB LEU 61 5.946 2.249 -6.981 514 HG LEU 61 HG LEU 61 7.005 3.657 -4.528 515 HD11 LEU 61 1HD1 LEU 61 5.474 1.077 -4.835 516 HD12 LEU 61 2HD1 LEU 61 4.858 2.577 -4.140 517 HD13 LEU 61 3HD1 LEU 61 6.157 1.699 -3.332 518 HD21 LEU 61 3HD2 LEU 61 8.779 2.540 -5.785 519 HD22 LEU 61 1HD2 LEU 61 7.837 1.051 -5.800 520 HD23 LEU 61 2HD2 LEU 61 8.440 1.695 -4.274 521 H SER 62 H SER 62 6.493 2.232 -9.029 522 HA SER 62 HA SER 62 5.855 4.145 -11.127 523 HB2 SER 62 2HB SER 62 7.243 2.344 -11.861 524 HB3 SER 62 1HB SER 62 6.194 1.143 -11.113 525 HG SER 62 HG SER 62 5.916 2.531 -13.516 526 H TYR 63 H TYR 63 3.879 4.326 -12.068 527 HA TYR 63 HA TYR 63 1.549 3.969 -10.586 528 HB2 TYR 63 2HB TYR 63 1.633 5.583 -12.372 529 HB3 TYR 63 1HB TYR 63 2.000 4.339 -13.556 530 HD1 TYR 63 2HD TYR 63 -0.663 5.710 -11.387 531 HD2 TYR 63 1HD TYR 63 0.271 3.109 -14.621 532 HE1 TYR 63 2HE TYR 63 -3.057 5.509 -11.911 533 HE2 TYR 63 1HE TYR 63 -2.118 2.905 -15.156 534 HH TYR 63 HH TYR 63 -4.492 4.943 -13.786 535 H LYS 64 H LYS 64 3.130 1.897 -12.941 536 HA LYS 64 HA LYS 64 1.037 0.037 -13.293 537 HB2 LYS 64 2HB LYS 64 4.011 -0.485 -13.480 538 HB3 LYS 64 1HB LYS 64 2.728 -1.420 -14.219 539 HG2 LYS 64 2HG LYS 64 2.152 0.556 -15.605 540 HG3 LYS 64 1HG LYS 64 3.565 1.375 -14.929 541 HD2 LYS 64 2HD LYS 64 4.952 -0.553 -15.750 542 HD3 LYS 64 1HD LYS 64 3.519 -1.132 -16.601 543 HE2 LYS 64 2HE LYS 64 4.902 0.119 -18.125 544 HE3 LYS 64 1HE LYS 64 3.417 1.019 -17.814 545 HZ1 LYS 64 3HZ LYS 64 4.571 2.483 -16.367 546 HZ2 LYS 64 1HZ LYS 64 5.494 2.366 -17.784 547 HZ3 LYS 64 2HZ LYS 64 5.974 1.526 -16.389 548 H GLN 65 H GLN 65 3.697 0.340 -11.036 549 HA GLN 65 HA GLN 65 3.385 -2.192 -9.793 550 HB2 GLN 65 2HB GLN 65 4.645 0.344 -8.719 551 HB3 GLN 65 1HB GLN 65 4.820 -1.256 -8.014 552 HG2 GLN 65 2HG GLN 65 5.787 -0.397 -10.733 553 HG3 GLN 65 1HG GLN 65 6.782 -0.630 -9.298 554 HE21 GLN 65 1HE2 GLN 65 5.016 -2.180 -11.846 555 HE22 GLN 65 2HE2 GLN 65 5.626 -3.772 -11.573 556 H VAL 66 H VAL 66 2.230 1.082 -9.048 557 HA VAL 66 HA VAL 66 0.978 0.320 -6.591 558 HB VAL 66 HB VAL 66 0.544 2.752 -8.328 559 HG11 VAL 66 1HG1 VAL 66 -1.445 2.316 -6.967 560 HG12 VAL 66 2HG1 VAL 66 -0.578 3.740 -6.392 561 HG13 VAL 66 3HG1 VAL 66 -0.436 2.213 -5.523 562 HG21 VAL 66 3HG2 VAL 66 2.106 2.302 -5.786 563 HG22 VAL 66 1HG2 VAL 66 1.874 3.862 -6.576 564 HG23 VAL 66 2HG2 VAL 66 2.776 2.586 -7.393 565 H LYS 67 H LYS 67 -0.192 0.749 -9.897 566 HA LYS 67 HA LYS 67 -2.926 0.367 -9.397 567 HB2 LYS 67 2HB LYS 67 -1.453 1.040 -11.559 568 HB3 LYS 67 1HB LYS 67 -1.811 -0.635 -11.952 569 HG2 LYS 67 2HG LYS 67 -3.980 1.287 -11.197 570 HG3 LYS 67 1HG LYS 67 -3.360 1.190 -12.842 571 HD2 LYS 67 2HD LYS 67 -3.909 -1.236 -12.844 572 HD3 LYS 67 1HD LYS 67 -4.659 -1.022 -11.258 573 HE2 LYS 67 2HE LYS 67 -6.277 0.503 -12.163 574 HE3 LYS 67 1HE LYS 67 -5.451 0.530 -13.721 575 HZ1 LYS 67 3HZ LYS 67 -7.341 -0.881 -13.886 576 HZ2 LYS 67 1HZ LYS 67 -6.899 -1.758 -12.506 577 HZ3 LYS 67 2HZ LYS 67 -5.967 -1.867 -13.920 578 H THR 68 H THR 68 -0.354 -1.906 -10.180 579 HA THR 68 HA THR 68 -2.042 -4.194 -10.309 580 HB THR 68 HB THR 68 0.954 -4.078 -9.877 581 HG1 THR 68 1HG THR 68 0.626 -3.170 -11.832 582 HG21 THR 68 3HG2 THR 68 0.963 -6.357 -10.767 583 HG22 THR 68 1HG2 THR 68 -0.796 -6.330 -10.887 584 HG23 THR 68 2HG2 THR 68 -0.019 -6.266 -9.304 585 H TRP 69 H TRP 69 0.019 -2.776 -7.775 586 HA TRP 69 HA TRP 69 -0.308 -4.804 -5.869 587 HB2 TRP 69 2HB TRP 69 1.334 -2.928 -5.693 588 HB3 TRP 69 1HB TRP 69 -0.002 -1.843 -5.318 589 HD1 TRP 69 HD TRP 69 2.113 -4.632 -3.797 590 HE1 TRP 69 1HE TRP 69 1.684 -4.715 -1.259 591 HE3 TRP 69 3HE TRP 69 -1.780 -1.321 -3.514 592 HZ2 TRP 69 2HZ TRP 69 -0.072 -3.536 0.612 593 HZ3 TRP 69 3HZ TRP 69 -2.774 -0.856 -1.313 594 HH2 TRP 69 HH TRP 69 -1.937 -1.941 0.706 595 H PHE 70 H PHE 70 -2.222 -1.919 -6.561 596 HA PHE 70 HA PHE 70 -4.124 -2.161 -4.540 597 HB2 PHE 70 2HB PHE 70 -4.024 -0.162 -5.877 598 HB3 PHE 70 1HB PHE 70 -4.365 -1.065 -7.348 599 HD1 PHE 70 2HD PHE 70 -5.872 -0.312 -4.022 600 HD2 PHE 70 1HD PHE 70 -6.510 -1.108 -8.153 601 HE1 PHE 70 2HE PHE 70 -8.279 0.109 -3.731 602 HE2 PHE 70 1HE PHE 70 -8.914 -0.683 -7.871 603 HZ PHE 70 HZ PHE 70 -9.801 -0.077 -5.656 604 H GLN 71 H GLN 71 -4.147 -3.494 -7.837 605 HA GLN 71 HA GLN 71 -6.610 -4.837 -7.653 606 HB2 GLN 71 2HB GLN 71 -4.156 -5.377 -9.323 607 HB3 GLN 71 1HB GLN 71 -5.657 -6.272 -9.508 608 HG2 GLN 71 2HG GLN 71 -5.457 -3.286 -9.773 609 HG3 GLN 71 1HG GLN 71 -5.318 -4.407 -11.127 610 HE21 GLN 71 1HE2 GLN 71 -7.461 -3.013 -8.769 611 HE22 GLN 71 2HE2 GLN 71 -8.938 -3.557 -9.496 612 H ASN 72 H ASN 72 -3.354 -5.831 -6.852 613 HA ASN 72 HA ASN 72 -3.910 -8.545 -6.304 614 HB2 ASN 72 2HB ASN 72 -1.654 -7.799 -6.802 615 HB3 ASN 72 1HB ASN 72 -1.658 -6.735 -5.400 616 HD21 ASN 72 1HD2 ASN 72 0.172 -7.696 -4.555 617 HD22 ASN 72 2HD2 ASN 72 0.139 -9.271 -3.837 618 H GLN 73 H GLN 73 -3.622 -5.687 -4.225 619 HA GLN 73 HA GLN 73 -4.148 -6.997 -1.778 620 HB2 GLN 73 2HB GLN 73 -3.171 -4.726 -1.962 621 HB3 GLN 73 1HB GLN 73 -4.711 -4.128 -2.560 622 HG2 GLN 73 2HG GLN 73 -4.439 -3.574 -0.226 623 HG3 GLN 73 1HG GLN 73 -5.763 -4.718 -0.435 624 HE21 GLN 73 1HE2 GLN 73 -5.636 -5.405 1.692 625 HE22 GLN 73 2HE2 GLN 73 -4.347 -6.398 2.271 626 H ARG 74 H ARG 74 -6.173 -5.561 -4.238 627 HA ARG 74 HA ARG 74 -8.603 -5.698 -2.779 628 HB2 ARG 74 2HB ARG 74 -7.975 -4.272 -4.865 629 HB3 ARG 74 1HB ARG 74 -8.437 -5.696 -5.782 630 HG2 ARG 74 2HG ARG 74 -10.268 -4.365 -3.807 631 HG3 ARG 74 1HG ARG 74 -10.197 -3.917 -5.510 632 HD2 ARG 74 2HD ARG 74 -10.874 -6.126 -6.172 633 HD3 ARG 74 1HD ARG 74 -10.776 -6.695 -4.507 634 HE ARG 74 HE ARG 74 -12.565 -4.515 -4.689 635 HH11 ARG 74 1HH1 ARG 74 -12.324 -7.877 -5.644 636 HH12 ARG 74 2HH1 ARG 74 -14.024 -8.182 -5.434 637 HH21 ARG 74 1HH2 ARG 74 -14.792 -4.924 -4.418 638 HH22 ARG 74 2HH2 ARG 74 -15.423 -6.512 -4.738 639 H MET 75 H MET 75 -7.104 -7.782 -5.259 640 HA MET 75 HA MET 75 -9.383 -9.455 -5.507 641 HB2 MET 75 2HB MET 75 -8.056 -10.876 -6.886 642 HB3 MET 75 1HB MET 75 -7.609 -9.219 -7.243 643 HG2 MET 75 2HG MET 75 -5.571 -10.256 -7.204 644 HG3 MET 75 1HG MET 75 -5.684 -9.648 -5.555 645 HE1 MET 75 3HE MET 75 -3.773 -13.074 -5.196 646 HE2 MET 75 1HE MET 75 -3.715 -11.343 -4.866 647 HE3 MET 75 2HE MET 75 -3.661 -11.926 -6.529 648 H LYS 76 H LYS 76 -6.720 -9.469 -3.275 649 HA LYS 76 HA LYS 76 -6.855 -12.161 -2.482 650 HB2 LYS 76 2HB LYS 76 -5.807 -9.679 -1.189 651 HB3 LYS 76 1HB LYS 76 -5.927 -11.158 -0.244 652 HG2 LYS 76 2HG LYS 76 -4.597 -12.285 -2.071 653 HG3 LYS 76 1HG LYS 76 -4.303 -10.671 -2.722 654 HD2 LYS 76 2HD LYS 76 -3.665 -11.431 0.120 655 HD3 LYS 76 1HD LYS 76 -2.506 -11.603 -1.199 656 HE2 LYS 76 2HE LYS 76 -3.860 -9.022 -0.425 657 HE3 LYS 76 1HE LYS 76 -2.244 -9.503 0.095 658 HZ1 LYS 76 3HZ LYS 76 -3.131 -9.046 -2.699 659 HZ2 LYS 76 1HZ LYS 76 -1.599 -9.616 -2.251 660 HZ3 LYS 76 2HZ LYS 76 -2.089 -8.058 -1.796 661 H SER 77 H SER 77 -9.018 -9.548 -1.818 662 HA SER 77 HA SER 77 -10.033 -10.493 0.652 663 HB2 SER 77 2HB SER 77 -11.952 -9.002 0.219 664 HB3 SER 77 1HB SER 77 -10.423 -8.187 -0.101 665 HG SER 77 HG SER 77 -10.791 -8.293 -2.250 666 H LYS 78 H LYS 78 -10.818 -11.161 -2.691 667 HA LYS 78 HA LYS 78 -13.029 -12.903 -1.919 668 HB2 LYS 78 2HB LYS 78 -13.468 -11.395 -3.761 669 HB3 LYS 78 1HB LYS 78 -12.044 -11.964 -4.620 670 HG2 LYS 78 2HG LYS 78 -13.064 -14.151 -4.900 671 HG3 LYS 78 1HG LYS 78 -14.478 -13.624 -3.987 672 HD2 LYS 78 2HD LYS 78 -14.999 -11.977 -5.677 673 HD3 LYS 78 1HD LYS 78 -13.526 -12.379 -6.563 674 HE2 LYS 78 2HE LYS 78 -15.455 -13.436 -7.593 675 HE3 LYS 78 1HE LYS 78 -14.366 -14.649 -6.918 676 HZ1 LYS 78 3HZ LYS 78 -15.840 -14.740 -4.953 677 HZ2 LYS 78 1HZ LYS 78 -16.603 -15.226 -6.389 678 HZ3 LYS 78 2HZ LYS 78 -16.917 -13.692 -5.738 679 H ARG 79 H ARG 79 -9.801 -13.005 -3.265 680 HA ARG 79 HA ARG 79 -9.933 -15.733 -4.104 681 HB2 ARG 79 2HB ARG 79 -8.213 -13.595 -4.518 682 HB3 ARG 79 1HB ARG 79 -7.257 -14.715 -3.565 683 HG2 ARG 79 2HG ARG 79 -8.736 -15.761 -5.918 684 HG3 ARG 79 1HG ARG 79 -7.283 -14.805 -6.186 685 HD2 ARG 79 2HD ARG 79 -6.668 -17.118 -6.140 686 HD3 ARG 79 1HD ARG 79 -6.052 -16.350 -4.680 687 HE ARG 79 HE ARG 79 -8.468 -17.401 -3.943 688 HH11 ARG 79 1HH1 ARG 79 -5.570 -18.688 -5.412 689 HH12 ARG 79 2HH1 ARG 79 -5.718 -20.248 -4.665 690 HH21 ARG 79 1HH2 ARG 79 -8.695 -19.466 -2.973 691 HH22 ARG 79 2HH2 ARG 79 -7.498 -20.691 -3.280 692 H TRP 80 H TRP 80 -8.614 -14.059 -1.266 693 HA TRP 80 HA TRP 80 -7.869 -16.632 -0.107 694 HB2 TRP 80 2HB TRP 80 -7.290 -13.780 0.697 695 HB3 TRP 80 1HB TRP 80 -6.892 -15.155 1.723 696 HD1 TRP 80 HD TRP 80 -6.232 -14.320 -2.024 697 HE1 TRP 80 1HE TRP 80 -3.763 -14.870 -2.530 698 HE3 TRP 80 3HE TRP 80 -4.830 -15.973 2.599 699 HZ2 TRP 80 2HZ TRP 80 -1.521 -15.877 -1.132 700 HZ3 TRP 80 3HZ TRP 80 -2.506 -16.714 2.933 701 HH2 TRP 80 HH TRP 80 -0.887 -16.667 1.105 702 H GLN 81 H GLN 81 -9.049 -17.619 1.372 703 HA GLN 81 HA GLN 81 -11.476 -16.328 2.321 704 HB2 GLN 81 2HB GLN 81 -10.445 -19.155 2.628 705 HB3 GLN 81 1HB GLN 81 -11.989 -18.592 3.253 706 HG2 GLN 81 2HG GLN 81 -11.158 -18.649 0.360 707 HG3 GLN 81 1HG GLN 81 -12.284 -19.755 1.147 708 HE21 GLN 81 1HE2 GLN 81 -12.663 -17.895 -1.114 709 HE22 GLN 81 2HE2 GLN 81 -13.980 -16.867 -0.657 710 H LYS 82 H LYS 82 -8.438 -16.167 3.255 711 HA LYS 82 HA LYS 82 -8.915 -16.321 6.125 712 HB2 LYS 82 2HB LYS 82 -6.449 -15.715 4.486 713 HB3 LYS 82 1HB LYS 82 -6.491 -15.586 6.240 714 HG2 LYS 82 2HG LYS 82 -6.877 -17.921 6.480 715 HG3 LYS 82 1HG LYS 82 -7.140 -18.114 4.743 716 HD2 LYS 82 2HD LYS 82 -4.858 -17.685 4.262 717 HD3 LYS 82 1HD LYS 82 -4.546 -17.117 5.902 718 HE2 LYS 82 2HE LYS 82 -3.663 -19.384 5.473 719 HE3 LYS 82 1HE LYS 82 -4.841 -19.338 6.781 720 HZ1 LYS 82 3HZ LYS 82 -5.060 -21.214 5.156 721 HZ2 LYS 82 1HZ LYS 82 -5.562 -20.076 4.004 722 HZ3 LYS 82 2HZ LYS 82 -6.472 -20.312 5.416 723 H ASN 83 H ASN 83 -10.464 -14.653 6.270 724 HA ASN 83 HA ASN 83 -9.553 -11.965 5.501 725 HB2 ASN 83 2HB ASN 83 -12.326 -12.915 6.268 726 HB3 ASN 83 1HB ASN 83 -11.908 -11.293 5.728 727 HD21 ASN 83 1HD2 ASN 83 -10.014 -12.290 3.722 728 HD22 ASN 83 2HD2 ASN 83 -10.971 -12.933 2.434 729 H ASN 84 H ASN 84 -10.589 -13.939 8.171 730 HA ASN 84 HA ASN 84 -10.465 -13.728 10.410 731 HB2 ASN 84 2HB ASN 84 -8.295 -11.812 9.588 732 HB3 ASN 84 1HB ASN 84 -8.673 -12.114 11.282 733 HD21 ASN 84 1HD2 ASN 84 -7.312 -13.411 8.376 734 HD22 ASN 84 2HD2 ASN 84 -6.629 -14.840 9.084 Start of MODEL 17 1 H1 SER 1 H1 SER 1 -13.147 11.281 -8.350 2 H2 SER 1 H2 SER 1 -12.330 12.716 -7.984 3 H3 SER 1 H3 SER 1 -13.866 12.426 -7.330 4 HA SER 1 HA SER 1 -12.994 10.525 -6.108 5 HB2 SER 1 2HB SER 1 -10.309 11.541 -7.082 6 HB3 SER 1 1HB SER 1 -10.575 10.205 -5.964 7 HG SER 1 HG SER 1 -11.995 9.517 -7.977 8 H LYS 2 H LYS 2 -11.778 13.807 -6.555 9 HA LYS 2 HA LYS 2 -11.664 15.576 -5.136 10 HB2 LYS 2 2HB LYS 2 -13.896 14.803 -4.381 11 HB3 LYS 2 1HB LYS 2 -13.122 13.776 -3.184 12 HG2 LYS 2 2HG LYS 2 -12.169 15.810 -2.134 13 HG3 LYS 2 1HG LYS 2 -13.090 16.784 -3.281 14 HD2 LYS 2 2HD LYS 2 -15.164 15.973 -2.405 15 HD3 LYS 2 1HD LYS 2 -14.334 14.783 -1.401 16 HE2 LYS 2 2HE LYS 2 -14.087 17.777 -1.128 17 HE3 LYS 2 1HE LYS 2 -15.086 16.738 -0.110 18 HZ1 LYS 2 3HZ LYS 2 -12.152 16.416 -0.392 19 HZ2 LYS 2 1HZ LYS 2 -13.167 15.660 0.731 20 HZ3 LYS 2 2HZ LYS 2 -12.875 17.328 0.837 21 H GLN 3 H GLN 3 -9.775 13.152 -5.089 22 HA GLN 3 HA GLN 3 -7.883 12.452 -4.068 23 HB2 GLN 3 2HB GLN 3 -8.128 15.119 -2.668 24 HB3 GLN 3 1HB GLN 3 -6.768 14.032 -2.431 25 HG2 GLN 3 2HG GLN 3 -5.913 15.406 -4.026 26 HG3 GLN 3 1HG GLN 3 -6.620 14.158 -5.047 27 HE21 GLN 3 1HE2 GLN 3 -8.477 16.585 -3.334 28 HE22 GLN 3 2HE2 GLN 3 -8.993 17.455 -4.735 29 HA PRO 4 HA PRO 4 -9.170 10.254 -0.482 30 HB2 PRO 4 2HB PRO 4 -6.836 9.639 0.746 31 HB3 PRO 4 1HB PRO 4 -7.341 8.896 -0.779 32 HG2 PRO 4 2HG PRO 4 -5.449 11.171 -0.313 33 HG3 PRO 4 1HG PRO 4 -5.276 9.780 -1.398 34 HD2 PRO 4 2HD PRO 4 -6.046 12.216 -2.278 35 HD3 PRO 4 1HD PRO 4 -6.637 10.709 -3.012 36 H THR 5 H THR 5 -7.765 13.285 -0.153 37 HA THR 5 HA THR 5 -7.773 13.291 2.743 38 HB THR 5 HB THR 5 -6.018 14.567 1.678 39 HG1 THR 5 1HG THR 5 -7.663 16.642 2.601 40 HG21 THR 5 3HG2 THR 5 -6.492 16.572 0.339 41 HG22 THR 5 1HG2 THR 5 -8.215 16.205 0.406 42 HG23 THR 5 2HG2 THR 5 -7.113 15.113 -0.434 43 H SER 6 H SER 6 -9.447 13.777 3.951 44 HA SER 6 HA SER 6 -11.538 14.338 4.614 45 HB2 SER 6 2HB SER 6 -11.090 16.585 2.635 46 HB3 SER 6 1HB SER 6 -12.386 16.542 3.833 47 HG SER 6 HG SER 6 -10.936 16.748 5.447 48 H ALA 7 H ALA 7 -11.263 12.478 2.368 49 HA ALA 7 HA ALA 7 -14.002 12.769 1.318 50 HB1 ALA 7 1HB ALA 7 -13.315 11.473 -0.640 51 HB2 ALA 7 2HB ALA 7 -11.670 11.393 -0.014 52 HB3 ALA 7 3HB ALA 7 -12.355 12.947 -0.487 53 H GLU 8 H GLU 8 -12.503 11.431 3.677 54 HA GLU 8 HA GLU 8 -12.826 8.633 3.361 55 HB2 GLU 8 2HB GLU 8 -12.557 8.597 5.858 56 HB3 GLU 8 1HB GLU 8 -11.257 9.390 4.981 57 HG2 GLU 8 2HG GLU 8 -12.226 11.573 5.536 58 HG3 GLU 8 1HG GLU 8 -13.510 10.764 6.433 59 H ASN 9 H ASN 9 -14.596 7.440 3.467 60 HA ASN 9 HA ASN 9 -16.897 8.359 5.004 61 HB2 ASN 9 2HB ASN 9 -18.451 8.078 3.149 62 HB3 ASN 9 1HB ASN 9 -17.226 9.268 2.727 63 HD21 ASN 9 1HD2 ASN 9 -18.958 7.514 1.080 64 HD22 ASN 9 2HD2 ASN 9 -17.878 6.663 0.034 65 H SER 10 H SER 10 -14.837 5.981 4.505 66 HA SER 10 HA SER 10 -16.690 3.950 5.366 67 HB2 SER 10 2HB SER 10 -15.232 3.635 2.730 68 HB3 SER 10 1HB SER 10 -16.108 2.349 3.558 69 HG SER 10 HG SER 10 -17.636 4.575 3.299 70 H VAL 11 H VAL 11 -15.658 3.116 7.053 71 HA VAL 11 HA VAL 11 -12.793 2.847 7.098 72 HB VAL 11 HB VAL 11 -13.257 1.562 9.260 73 HG11 VAL 11 1HG1 VAL 11 -13.733 3.629 10.510 74 HG12 VAL 11 2HG1 VAL 11 -14.199 4.418 9.005 75 HG13 VAL 11 3HG1 VAL 11 -12.535 3.884 9.241 76 HG21 VAL 11 3HG2 VAL 11 -15.470 1.938 10.277 77 HG22 VAL 11 1HG2 VAL 11 -15.571 0.934 8.831 78 HG23 VAL 11 2HG2 VAL 11 -16.037 2.633 8.759 79 H ALA 12 H ALA 12 -12.312 1.534 5.373 80 HA ALA 12 HA ALA 12 -13.645 -0.955 4.926 81 HB1 ALA 12 1HB ALA 12 -12.025 -1.297 3.146 82 HB2 ALA 12 2HB ALA 12 -11.059 0.053 3.744 83 HB3 ALA 12 3HB ALA 12 -12.669 0.344 3.086 84 H LYS 13 H LYS 13 -11.133 0.040 6.957 85 HA LYS 13 HA LYS 13 -9.673 -1.006 8.333 86 HB2 LYS 13 2HB LYS 13 -11.982 -2.009 8.948 87 HB3 LYS 13 1HB LYS 13 -11.400 -3.462 8.147 88 HG2 LYS 13 2HG LYS 13 -9.602 -3.682 9.710 89 HG3 LYS 13 1HG LYS 13 -9.968 -2.108 10.423 90 HD2 LYS 13 2HD LYS 13 -12.267 -3.073 10.957 91 HD3 LYS 13 1HD LYS 13 -11.573 -4.646 10.572 92 HE2 LYS 13 2HE LYS 13 -10.405 -2.764 12.610 93 HE3 LYS 13 1HE LYS 13 -11.570 -4.024 13.008 94 HZ1 LYS 13 3HZ LYS 13 -8.908 -4.497 11.761 95 HZ2 LYS 13 1HZ LYS 13 -10.025 -5.686 12.230 96 HZ3 LYS 13 2HZ LYS 13 -9.276 -4.714 13.400 97 H LYS 14 H LYS 14 -8.217 -0.935 6.472 98 HA LYS 14 HA LYS 14 -7.337 -3.638 5.729 99 HB2 LYS 14 2HB LYS 14 -7.434 -1.196 3.945 100 HB3 LYS 14 1HB LYS 14 -6.604 -2.688 3.534 101 HG2 LYS 14 2HG LYS 14 -9.551 -2.512 4.110 102 HG3 LYS 14 1HG LYS 14 -8.848 -2.434 2.495 103 HD2 LYS 14 2HD LYS 14 -7.925 -4.655 2.746 104 HD3 LYS 14 1HD LYS 14 -8.486 -4.732 4.416 105 HE2 LYS 14 2HE LYS 14 -10.312 -4.401 2.045 106 HE3 LYS 14 1HE LYS 14 -9.912 -5.960 2.763 107 HZ1 LYS 14 3HZ LYS 14 -11.127 -3.725 4.292 108 HZ2 LYS 14 1HZ LYS 14 -10.938 -5.333 4.791 109 HZ3 LYS 14 2HZ LYS 14 -12.033 -4.948 3.553 110 H GLU 15 H GLU 15 -5.131 -3.958 5.767 111 HA GLU 15 HA GLU 15 -2.960 -3.624 6.339 112 HB2 GLU 15 2HB GLU 15 -3.744 -0.813 5.643 113 HB3 GLU 15 1HB GLU 15 -2.176 -1.133 6.372 114 HG2 GLU 15 2HG GLU 15 -3.149 -2.499 3.884 115 HG3 GLU 15 1HG GLU 15 -2.203 -1.011 3.879 116 H ASP 16 H ASP 16 -5.324 -3.419 8.223 117 HA ASP 16 HA ASP 16 -4.477 -1.709 10.360 118 HB2 ASP 16 2HB ASP 16 -6.347 -2.690 11.605 119 HB3 ASP 16 1HB ASP 16 -6.853 -2.200 9.993 120 H LYS 17 H LYS 17 -3.439 -4.656 9.258 121 HA LYS 17 HA LYS 17 -1.682 -5.917 9.920 122 HB2 LYS 17 2HB LYS 17 -1.551 -4.011 12.261 123 HB3 LYS 17 1HB LYS 17 -0.329 -5.212 11.870 124 HG2 LYS 17 2HG LYS 17 -1.148 -3.027 9.977 125 HG3 LYS 17 1HG LYS 17 0.169 -2.863 11.137 126 HD2 LYS 17 2HD LYS 17 1.384 -4.654 10.109 127 HD3 LYS 17 1HD LYS 17 0.016 -5.046 9.064 128 HE2 LYS 17 2HE LYS 17 1.452 -2.397 9.012 129 HE3 LYS 17 1HE LYS 17 1.872 -3.753 7.965 130 HZ1 LYS 17 3HZ LYS 17 -0.365 -3.706 7.064 131 HZ2 LYS 17 1HZ LYS 17 0.392 -2.209 6.842 132 HZ3 LYS 17 2HZ LYS 17 -0.771 -2.395 8.061 133 H VAL 18 H VAL 18 -2.882 -7.782 10.207 134 HA VAL 18 HA VAL 18 -3.134 -8.552 13.040 135 HB VAL 18 HB VAL 18 -4.844 -9.692 10.820 136 HG11 VAL 18 1HG1 VAL 18 -5.025 -9.950 13.821 137 HG12 VAL 18 2HG1 VAL 18 -4.461 -11.194 12.708 138 HG13 VAL 18 3HG1 VAL 18 -6.141 -10.663 12.653 139 HG21 VAL 18 3HG2 VAL 18 -5.460 -7.364 11.154 140 HG22 VAL 18 1HG2 VAL 18 -5.586 -7.630 12.892 141 HG23 VAL 18 2HG2 VAL 18 -6.713 -8.430 11.795 142 HA PRO 19 HA PRO 19 -0.271 -11.417 10.867 143 HB2 PRO 19 2HB PRO 19 2.057 -10.563 11.988 144 HB3 PRO 19 1HB PRO 19 1.335 -9.816 10.561 145 HG2 PRO 19 2HG PRO 19 1.621 -8.723 13.232 146 HG3 PRO 19 1HG PRO 19 1.074 -7.912 11.758 147 HD2 PRO 19 2HD PRO 19 -0.506 -9.076 13.950 148 HD3 PRO 19 1HD PRO 19 -0.991 -7.894 12.715 149 H VAL 20 H VAL 20 -0.915 -13.281 11.921 150 HA VAL 20 HA VAL 20 0.460 -13.812 14.456 151 HB VAL 20 HB VAL 20 -2.255 -14.941 13.781 152 HG11 VAL 20 1HG1 VAL 20 -0.909 -16.298 15.306 153 HG12 VAL 20 2HG1 VAL 20 -2.301 -15.598 16.132 154 HG13 VAL 20 3HG1 VAL 20 -0.697 -14.904 16.366 155 HG21 VAL 20 3HG2 VAL 20 -1.580 -12.615 15.578 156 HG22 VAL 20 1HG2 VAL 20 -3.158 -13.401 15.482 157 HG23 VAL 20 2HG2 VAL 20 -2.507 -12.555 14.079 158 H LYS 21 H LYS 21 2.058 -14.617 12.890 159 HA LYS 21 HA LYS 21 1.739 -17.482 12.608 160 HB2 LYS 21 2HB LYS 21 2.106 -15.658 10.251 161 HB3 LYS 21 1HB LYS 21 2.810 -17.266 10.234 162 HG2 LYS 21 2HG LYS 21 0.601 -18.250 10.533 163 HG3 LYS 21 1HG LYS 21 -0.115 -16.637 10.578 164 HD2 LYS 21 2HD LYS 21 0.520 -16.215 8.309 165 HD3 LYS 21 1HD LYS 21 1.490 -17.688 8.252 166 HE2 LYS 21 2HE LYS 21 -1.509 -17.539 8.551 167 HE3 LYS 21 1HE LYS 21 -0.634 -17.979 7.086 168 HZ1 LYS 21 3HZ LYS 21 -1.242 -20.001 8.033 169 HZ2 LYS 21 1HZ LYS 21 -0.871 -19.497 9.608 170 HZ3 LYS 21 2HZ LYS 21 0.375 -19.818 8.507 171 H LYS 22 H LYS 22 4.036 -15.466 10.891 172 HA LYS 22 HA LYS 22 6.152 -15.650 12.785 173 HB2 LYS 22 2HB LYS 22 6.183 -17.447 10.345 174 HB3 LYS 22 1HB LYS 22 7.655 -16.939 11.155 175 HG2 LYS 22 2HG LYS 22 5.425 -18.549 12.385 176 HG3 LYS 22 1HG LYS 22 6.981 -19.175 11.834 177 HD2 LYS 22 2HD LYS 22 8.149 -17.900 13.505 178 HD3 LYS 22 1HD LYS 22 6.663 -17.070 13.972 179 HE2 LYS 22 2HE LYS 22 5.718 -19.249 14.667 180 HE3 LYS 22 1HE LYS 22 7.267 -20.007 14.299 181 HZ1 LYS 22 3HZ LYS 22 8.314 -18.678 15.982 182 HZ2 LYS 22 1HZ LYS 22 6.984 -19.476 16.662 183 HZ3 LYS 22 2HZ LYS 22 6.879 -17.828 16.280 184 H GLN 23 H GLN 23 7.788 -14.246 12.202 185 HA GLN 23 HA GLN 23 7.146 -12.347 10.149 186 HB2 GLN 23 2HB GLN 23 9.019 -11.062 10.960 187 HB3 GLN 23 1HB GLN 23 8.098 -11.655 12.329 188 HG2 GLN 23 2HG GLN 23 10.486 -13.173 11.390 189 HG3 GLN 23 1HG GLN 23 10.703 -11.711 12.345 190 HE21 GLN 23 1HE2 GLN 23 11.589 -12.770 14.084 191 HE22 GLN 23 2HE2 GLN 23 10.674 -13.806 15.120 192 H LYS 24 H LYS 24 7.622 -14.890 9.056 193 HA LYS 24 HA LYS 24 10.298 -14.976 7.999 194 HB2 LYS 24 2HB LYS 24 9.458 -16.925 6.685 195 HB3 LYS 24 1HB LYS 24 9.230 -17.087 8.419 196 HG2 LYS 24 2HG LYS 24 6.892 -16.580 8.215 197 HG3 LYS 24 1HG LYS 24 7.078 -16.225 6.497 198 HD2 LYS 24 2HD LYS 24 7.777 -18.568 6.122 199 HD3 LYS 24 1HD LYS 24 7.492 -18.902 7.832 200 HE2 LYS 24 2HE LYS 24 5.146 -18.332 7.570 201 HE3 LYS 24 1HE LYS 24 5.416 -17.918 5.880 202 HZ1 LYS 24 3HZ LYS 24 6.038 -20.232 5.465 203 HZ2 LYS 24 1HZ LYS 24 4.460 -20.105 6.073 204 HZ3 LYS 24 2HZ LYS 24 5.715 -20.615 7.087 205 H THR 25 H THR 25 10.864 -13.493 6.573 206 HA THR 25 HA THR 25 9.577 -13.409 4.022 207 HB THR 25 HB THR 25 8.146 -11.811 5.276 208 HG1 THR 25 1HG THR 25 9.347 -9.939 3.743 209 HG21 THR 25 3HG2 THR 25 9.099 -9.665 6.019 210 HG22 THR 25 1HG2 THR 25 10.715 -10.272 5.655 211 HG23 THR 25 2HG2 THR 25 9.751 -11.032 6.922 212 H ARG 26 H ARG 26 10.787 -11.897 2.547 213 HA ARG 26 HA ARG 26 13.580 -11.644 3.440 214 HB2 ARG 26 2HB ARG 26 12.481 -12.271 0.701 215 HB3 ARG 26 1HB ARG 26 14.158 -11.815 0.985 216 HG2 ARG 26 2HG ARG 26 14.395 -13.745 2.497 217 HG3 ARG 26 1HG ARG 26 12.735 -14.210 2.122 218 HD2 ARG 26 2HD ARG 26 13.290 -14.589 -0.174 219 HD3 ARG 26 1HD ARG 26 14.904 -13.912 0.053 220 HE ARG 26 HE ARG 26 14.373 -16.153 1.769 221 HH11 ARG 26 1HH1 ARG 26 15.390 -15.226 -1.460 222 HH12 ARG 26 2HH1 ARG 26 16.321 -16.675 -1.712 223 HH21 ARG 26 1HH2 ARG 26 15.585 -18.041 1.442 224 HH22 ARG 26 2HH2 ARG 26 16.412 -18.294 -0.066 225 H THR 27 H THR 27 11.312 -10.257 1.053 226 HA THR 27 HA THR 27 12.648 -7.704 1.207 227 HB THR 27 HB THR 27 9.960 -7.773 0.025 228 HG1 THR 27 1HG THR 27 11.982 -9.101 -1.446 229 HG21 THR 27 3HG2 THR 27 11.523 -5.900 -0.261 230 HG22 THR 27 1HG2 THR 27 11.102 -6.634 -1.809 231 HG23 THR 27 2HG2 THR 27 12.663 -6.979 -1.064 232 H VAL 28 H VAL 28 11.346 -5.744 1.704 233 HA VAL 28 HA VAL 28 9.317 -6.128 3.756 234 HB VAL 28 HB VAL 28 10.503 -4.601 5.338 235 HG11 VAL 28 1HG1 VAL 28 11.913 -7.198 4.731 236 HG12 VAL 28 2HG1 VAL 28 10.493 -6.987 5.754 237 HG13 VAL 28 3HG1 VAL 28 12.039 -6.292 6.242 238 HG21 VAL 28 3HG2 VAL 28 12.932 -4.306 5.118 239 HG22 VAL 28 1HG2 VAL 28 12.058 -3.561 3.781 240 HG23 VAL 28 2HG2 VAL 28 12.881 -5.102 3.544 241 H PHE 29 H PHE 29 8.405 -4.014 4.466 242 HA PHE 29 HA PHE 29 8.551 -2.018 2.323 243 HB2 PHE 29 2HB PHE 29 6.330 -2.723 4.248 244 HB3 PHE 29 1HB PHE 29 6.307 -1.293 3.232 245 HD1 PHE 29 1HD PHE 29 6.099 -1.494 0.799 246 HD2 PHE 29 2HD PHE 29 5.915 -4.896 3.347 247 HE1 PHE 29 1HE PHE 29 5.122 -2.810 -1.035 248 HE2 PHE 29 2HE PHE 29 4.940 -6.219 1.518 249 HZ PHE 29 HZ PHE 29 4.542 -5.179 -0.678 250 H SER 30 H SER 30 8.376 0.241 3.013 251 HA SER 30 HA SER 30 9.918 0.674 5.438 252 HB2 SER 30 2HB SER 30 10.421 1.846 3.243 253 HB3 SER 30 1HB SER 30 8.925 2.752 3.470 254 HG SER 30 HG SER 30 11.336 2.863 4.911 255 H SER 31 H SER 31 9.235 2.222 7.043 256 HA SER 31 HA SER 31 6.676 1.783 8.038 257 HB2 SER 31 2HB SER 31 7.238 3.862 9.463 258 HB3 SER 31 1HB SER 31 8.318 2.472 9.584 259 HG SER 31 HG SER 31 9.244 4.699 9.236 260 H THR 32 H THR 32 7.942 4.428 6.072 261 HA THR 32 HA THR 32 5.734 6.135 6.138 262 HB THR 32 HB THR 32 6.611 6.845 3.820 263 HG1 THR 32 1HG THR 32 8.936 5.992 3.708 264 HG21 THR 32 3HG2 THR 32 8.473 6.872 6.201 265 HG22 THR 32 1HG2 THR 32 7.173 8.022 5.891 266 HG23 THR 32 2HG2 THR 32 8.565 7.953 4.810 267 H GLN 33 H GLN 33 6.546 3.538 3.859 268 HA GLN 33 HA GLN 33 4.343 3.772 2.160 269 HB2 GLN 33 2HB GLN 33 5.819 1.250 2.945 270 HB3 GLN 33 1HB GLN 33 4.781 1.433 1.539 271 HG2 GLN 33 2HG GLN 33 6.319 3.119 0.641 272 HG3 GLN 33 1HG GLN 33 7.371 2.882 2.038 273 HE21 GLN 33 1HE2 GLN 33 6.184 1.523 -0.917 274 HE22 GLN 33 2HE2 GLN 33 7.331 0.237 -1.025 275 H LEU 34 H LEU 34 4.779 1.776 5.055 276 HA LEU 34 HA LEU 34 2.234 0.575 4.985 277 HB2 LEU 34 2HB LEU 34 4.045 1.099 7.340 278 HB3 LEU 34 1HB LEU 34 2.653 0.032 7.361 279 HG LEU 34 HG LEU 34 5.119 -0.349 5.656 280 HD11 LEU 34 1HD1 LEU 34 4.193 -1.781 8.142 281 HD12 LEU 34 2HD1 LEU 34 5.600 -0.726 8.000 282 HD13 LEU 34 3HD1 LEU 34 5.558 -2.261 7.132 283 HD21 LEU 34 3HD2 LEU 34 2.743 -2.162 6.073 284 HD22 LEU 34 1HD2 LEU 34 4.168 -2.508 5.092 285 HD23 LEU 34 2HD2 LEU 34 3.065 -1.216 4.620 286 H CYS 35 H CYS 35 3.297 3.669 6.234 287 HA CYS 35 HA CYS 35 0.927 4.152 7.763 288 HB2 CYS 35 2HB CYS 35 3.045 6.068 6.764 289 HB3 CYS 35 1HB CYS 35 1.754 6.491 7.884 290 HG CYS 35 HG CYS 35 4.266 4.247 8.487 291 H VAL 36 H VAL 36 2.073 5.198 4.562 292 HA VAL 36 HA VAL 36 -0.137 6.864 4.003 293 HB VAL 36 HB VAL 36 1.664 5.459 2.018 294 HG11 VAL 36 1HG1 VAL 36 -0.410 6.308 1.015 295 HG12 VAL 36 2HG1 VAL 36 0.995 7.220 0.468 296 HG13 VAL 36 3HG1 VAL 36 -0.079 7.906 1.687 297 HG21 VAL 36 3HG2 VAL 36 1.882 8.197 3.269 298 HG22 VAL 36 1HG2 VAL 36 2.922 7.565 1.994 299 HG23 VAL 36 2HG2 VAL 36 2.934 6.817 3.592 300 H LEU 37 H LEU 37 0.495 3.446 3.276 301 HA LEU 37 HA LEU 37 -1.862 2.977 1.788 302 HB2 LEU 37 2HB LEU 37 -0.248 1.077 3.497 303 HB3 LEU 37 1HB LEU 37 -1.512 0.588 2.387 304 HG LEU 37 HG LEU 37 1.078 1.935 1.613 305 HD11 LEU 37 1HD1 LEU 37 0.118 -0.902 1.275 306 HD12 LEU 37 2HD1 LEU 37 1.415 -0.356 2.338 307 HD13 LEU 37 3HD1 LEU 37 1.599 -0.237 0.588 308 HD21 LEU 37 3HD2 LEU 37 -1.156 0.839 -0.094 309 HD22 LEU 37 1HD2 LEU 37 0.381 1.470 -0.685 310 HD23 LEU 37 2HD2 LEU 37 -0.760 2.544 0.122 311 H ASN 38 H ASN 38 -1.133 2.739 5.227 312 HA ASN 38 HA ASN 38 -3.571 1.668 6.114 313 HB2 ASN 38 2HB ASN 38 -1.558 1.724 7.503 314 HB3 ASN 38 1HB ASN 38 -1.594 3.481 7.522 315 HD21 ASN 38 1HD2 ASN 38 -1.723 3.624 9.732 316 HD22 ASN 38 2HD2 ASN 38 -3.136 3.173 10.619 317 H ASP 39 H ASP 39 -2.456 4.979 5.705 318 HA ASP 39 HA ASP 39 -4.612 6.309 6.877 319 HB2 ASP 39 2HB ASP 39 -2.535 7.452 6.419 320 HB3 ASP 39 1HB ASP 39 -2.711 7.171 4.692 321 H ARG 40 H ARG 40 -4.058 5.298 3.554 322 HA ARG 40 HA ARG 40 -6.410 6.612 2.570 323 HB2 ARG 40 2HB ARG 40 -4.199 5.031 1.402 324 HB3 ARG 40 1HB ARG 40 -5.728 4.978 0.540 325 HG2 ARG 40 2HG ARG 40 -4.333 6.705 -0.385 326 HG3 ARG 40 1HG ARG 40 -5.723 7.435 0.413 327 HD2 ARG 40 2HD ARG 40 -4.383 8.050 2.310 328 HD3 ARG 40 1HD ARG 40 -2.995 7.167 1.670 329 HE ARG 40 HE ARG 40 -3.374 8.877 -0.301 330 HH11 ARG 40 1HH1 ARG 40 -3.545 9.513 3.153 331 HH12 ARG 40 2HH1 ARG 40 -2.994 11.158 2.987 332 HH21 ARG 40 1HH2 ARG 40 -2.701 11.018 -0.516 333 HH22 ARG 40 2HH2 ARG 40 -2.517 12.009 0.909 334 H PHE 41 H PHE 41 -5.452 3.227 3.095 335 HA PHE 41 HA PHE 41 -7.851 2.230 1.927 336 HB2 PHE 41 2HB PHE 41 -5.565 0.939 3.375 337 HB3 PHE 41 1HB PHE 41 -6.985 0.018 2.868 338 HD1 PHE 41 1HD PHE 41 -7.755 0.907 0.381 339 HD2 PHE 41 2HD PHE 41 -3.791 0.656 1.900 340 HE1 PHE 41 1HE PHE 41 -6.900 0.790 -1.896 341 HE2 PHE 41 2HE PHE 41 -2.920 0.522 -0.401 342 HZ PHE 41 HZ PHE 41 -4.478 0.590 -2.309 343 H GLN 42 H GLN 42 -7.072 3.191 5.180 344 HA GLN 42 HA GLN 42 -9.365 1.656 6.162 345 HB2 GLN 42 2HB GLN 42 -7.233 3.209 7.584 346 HB3 GLN 42 1HB GLN 42 -8.719 2.745 8.408 347 HG2 GLN 42 2HG GLN 42 -8.061 0.381 7.361 348 HG3 GLN 42 1HG GLN 42 -6.454 1.088 7.494 349 HE21 GLN 42 1HE2 GLN 42 -5.592 1.498 9.507 350 HE22 GLN 42 2HE2 GLN 42 -6.278 0.843 10.956 351 H ARG 43 H ARG 43 -8.846 4.666 4.825 352 HA ARG 43 HA ARG 43 -11.227 5.741 6.168 353 HB2 ARG 43 2HB ARG 43 -9.088 7.200 4.610 354 HB3 ARG 43 1HB ARG 43 -10.500 7.953 5.343 355 HG2 ARG 43 2HG ARG 43 -9.686 7.028 7.545 356 HG3 ARG 43 1HG ARG 43 -8.180 6.640 6.717 357 HD2 ARG 43 2HD ARG 43 -9.407 9.387 6.882 358 HD3 ARG 43 1HD ARG 43 -8.088 8.804 7.899 359 HE ARG 43 HE ARG 43 -6.957 8.434 5.588 360 HH11 ARG 43 1HH1 ARG 43 -9.100 11.078 6.449 361 HH12 ARG 43 2HH1 ARG 43 -8.294 12.221 5.409 362 HH21 ARG 43 1HH2 ARG 43 -5.909 9.926 4.226 363 HH22 ARG 43 2HH2 ARG 43 -6.488 11.564 4.149 364 H GLN 44 H GLN 44 -9.913 4.720 3.136 365 HA GLN 44 HA GLN 44 -12.424 5.495 1.796 366 HB2 GLN 44 2HB GLN 44 -9.790 4.755 0.503 367 HB3 GLN 44 1HB GLN 44 -11.224 5.357 -0.311 368 HG2 GLN 44 2HG GLN 44 -9.697 6.949 1.727 369 HG3 GLN 44 1HG GLN 44 -9.346 6.997 0.005 370 HE21 GLN 44 1HE2 GLN 44 -12.582 6.771 1.381 371 HE22 GLN 44 2HE2 GLN 44 -13.106 8.337 0.867 372 H LYS 45 H LYS 45 -13.055 3.866 0.038 373 HA LYS 45 HA LYS 45 -13.027 1.210 1.166 374 HB2 LYS 45 2HB LYS 45 -14.402 0.636 -0.882 375 HB3 LYS 45 1HB LYS 45 -15.097 1.851 0.179 376 HG2 LYS 45 2HG LYS 45 -14.542 3.605 -1.319 377 HG3 LYS 45 1HG LYS 45 -13.528 2.541 -2.293 378 HD2 LYS 45 2HD LYS 45 -16.509 2.233 -1.953 379 HD3 LYS 45 1HD LYS 45 -15.731 3.032 -3.321 380 HE2 LYS 45 2HE LYS 45 -14.498 0.910 -3.759 381 HE3 LYS 45 1HE LYS 45 -15.463 0.145 -2.499 382 HZ1 LYS 45 3HZ LYS 45 -16.361 -0.268 -4.711 383 HZ2 LYS 45 1HZ LYS 45 -16.531 1.399 -4.969 384 HZ3 LYS 45 2HZ LYS 45 -17.454 0.630 -3.774 385 H TYR 46 H TYR 46 -11.832 2.789 -1.743 386 HA TYR 46 HA TYR 46 -9.574 1.006 -1.901 387 HB2 TYR 46 2HB TYR 46 -11.684 1.103 -4.066 388 HB3 TYR 46 1HB TYR 46 -10.023 0.636 -4.402 389 HD1 TYR 46 2HD TYR 46 -9.110 -1.277 -2.768 390 HD2 TYR 46 1HD TYR 46 -13.209 -0.572 -3.666 391 HE1 TYR 46 2HE TYR 46 -9.639 -3.601 -2.157 392 HE2 TYR 46 1HE TYR 46 -13.750 -2.890 -3.052 393 HH TYR 46 HH TYR 46 -11.490 -4.944 -1.466 394 H LEU 47 H LEU 47 -8.323 1.770 -4.066 395 HA LEU 47 HA LEU 47 -8.374 4.698 -3.955 396 HB2 LEU 47 2HB LEU 47 -6.190 2.809 -4.815 397 HB3 LEU 47 1HB LEU 47 -6.093 4.553 -4.942 398 HG LEU 47 HG LEU 47 -6.290 2.946 -2.405 399 HD11 LEU 47 1HD1 LEU 47 -4.099 4.682 -3.528 400 HD12 LEU 47 2HD1 LEU 47 -4.081 2.921 -3.421 401 HD13 LEU 47 3HD1 LEU 47 -4.079 3.894 -1.951 402 HD21 LEU 47 3HD2 LEU 47 -6.149 5.040 -1.209 403 HD22 LEU 47 1HD2 LEU 47 -7.576 5.036 -2.246 404 HD23 LEU 47 2HD2 LEU 47 -6.135 5.934 -2.727 405 H SER 48 H SER 48 -8.755 5.887 -5.691 406 HA SER 48 HA SER 48 -9.622 4.562 -8.112 407 HB2 SER 48 2HB SER 48 -10.949 6.422 -7.133 408 HB3 SER 48 1HB SER 48 -9.596 7.512 -7.425 409 HG SER 48 HG SER 48 -11.465 6.478 -9.183 410 H LEU 49 H LEU 49 -8.998 6.137 -10.117 411 HA LEU 49 HA LEU 49 -6.402 5.352 -10.782 412 HB2 LEU 49 2HB LEU 49 -8.134 7.468 -12.052 413 HB3 LEU 49 1HB LEU 49 -6.771 6.670 -12.789 414 HG LEU 49 HG LEU 49 -9.347 5.335 -11.989 415 HD11 LEU 49 1HD1 LEU 49 -9.555 6.816 -13.935 416 HD12 LEU 49 2HD1 LEU 49 -9.750 5.118 -14.365 417 HD13 LEU 49 3HD1 LEU 49 -8.236 5.948 -14.723 418 HD21 LEU 49 3HD2 LEU 49 -6.911 4.228 -13.384 419 HD22 LEU 49 1HD2 LEU 49 -8.439 3.376 -13.167 420 HD23 LEU 49 2HD2 LEU 49 -7.468 3.815 -11.761 421 H GLN 50 H GLN 50 -7.726 8.370 -9.573 422 HA GLN 50 HA GLN 50 -5.333 9.892 -9.988 423 HB2 GLN 50 2HB GLN 50 -7.550 10.962 -9.855 424 HB3 GLN 50 1HB GLN 50 -7.702 10.438 -8.184 425 HG2 GLN 50 2HG GLN 50 -5.709 11.789 -7.624 426 HG3 GLN 50 1HG GLN 50 -5.691 12.389 -9.280 427 HE21 GLN 50 1HE2 GLN 50 -6.011 14.503 -8.653 428 HE22 GLN 50 2HE2 GLN 50 -7.512 15.077 -8.015 429 H GLN 51 H GLN 51 -6.692 8.003 -7.377 430 HA GLN 51 HA GLN 51 -4.889 9.007 -5.400 431 HB2 GLN 51 2HB GLN 51 -6.841 6.710 -5.400 432 HB3 GLN 51 1HB GLN 51 -5.879 7.175 -4.006 433 HG2 GLN 51 2HG GLN 51 -6.948 9.272 -3.830 434 HG3 GLN 51 1HG GLN 51 -7.697 9.098 -5.418 435 HE21 GLN 51 1HE2 GLN 51 -8.896 9.609 -2.800 436 HE22 GLN 51 2HE2 GLN 51 -10.044 8.343 -2.553 437 H MET 52 H MET 52 -4.938 6.223 -7.555 438 HA MET 52 HA MET 52 -2.773 4.887 -6.242 439 HB2 MET 52 2HB MET 52 -2.667 3.452 -8.240 440 HB3 MET 52 1HB MET 52 -4.287 3.574 -7.579 441 HG2 MET 52 2HG MET 52 -4.838 5.223 -9.329 442 HG3 MET 52 1HG MET 52 -3.234 4.979 -10.019 443 HE1 MET 52 3HE MET 52 -5.478 2.206 -8.359 444 HE2 MET 52 1HE MET 52 -6.413 1.640 -9.742 445 HE3 MET 52 2HE MET 52 -6.656 3.273 -9.121 446 H GLN 53 H GLN 53 -2.967 7.203 -8.902 447 HA GLN 53 HA GLN 53 -0.160 7.089 -9.442 448 HB2 GLN 53 2HB GLN 53 -0.540 9.144 -10.770 449 HB3 GLN 53 1HB GLN 53 -1.632 7.836 -11.194 450 HG2 GLN 53 2HG GLN 53 -3.306 8.957 -9.641 451 HG3 GLN 53 1HG GLN 53 -2.226 10.351 -9.683 452 HE21 GLN 53 1HE2 GLN 53 -2.631 8.232 -12.403 453 HE22 GLN 53 2HE2 GLN 53 -3.493 9.342 -13.413 454 H GLU 54 H GLU 54 -2.227 8.996 -7.347 455 HA GLU 54 HA GLU 54 -0.299 10.788 -6.365 456 HB2 GLU 54 2HB GLU 54 -2.693 11.001 -5.874 457 HB3 GLU 54 1HB GLU 54 -2.649 9.506 -4.949 458 HG2 GLU 54 2HG GLU 54 -0.922 10.680 -3.480 459 HG3 GLU 54 1HG GLU 54 -1.444 12.164 -4.274 460 H LEU 55 H LEU 55 -1.318 7.594 -5.272 461 HA LEU 55 HA LEU 55 0.254 7.240 -3.049 462 HB2 LEU 55 2HB LEU 55 -1.572 5.764 -4.204 463 HB3 LEU 55 1HB LEU 55 -0.204 5.002 -4.983 464 HG LEU 55 HG LEU 55 -1.024 3.760 -3.009 465 HD11 LEU 55 1HD1 LEU 55 1.139 3.407 -1.940 466 HD12 LEU 55 2HD1 LEU 55 1.753 4.880 -2.691 467 HD13 LEU 55 3HD1 LEU 55 1.294 3.504 -3.694 468 HD21 LEU 55 3HD2 LEU 55 -1.770 5.629 -1.662 469 HD22 LEU 55 1HD2 LEU 55 -0.108 6.195 -1.490 470 HD23 LEU 55 2HD2 LEU 55 -0.597 4.661 -0.769 471 H SER 56 H SER 56 1.046 6.372 -6.384 472 HA SER 56 HA SER 56 3.585 5.326 -5.861 473 HB2 SER 56 2HB SER 56 3.976 5.903 -8.353 474 HB3 SER 56 1HB SER 56 2.683 4.772 -7.956 475 HG SER 56 HG SER 56 2.471 7.510 -8.650 476 H ASN 57 H ASN 57 2.529 8.616 -6.521 477 HA ASN 57 HA ASN 57 5.105 9.725 -6.888 478 HB2 ASN 57 2HB ASN 57 3.130 10.894 -7.669 479 HB3 ASN 57 1HB ASN 57 2.510 11.017 -6.025 480 HD21 ASN 57 1HD2 ASN 57 3.253 12.613 -4.698 481 HD22 ASN 57 2HD2 ASN 57 4.338 13.855 -5.209 482 H ILE 58 H ILE 58 3.141 9.161 -4.017 483 HA ILE 58 HA ILE 58 4.702 10.821 -2.295 484 HB ILE 58 HB ILE 58 2.876 8.556 -1.483 485 HG12 ILE 58 2HG1 ILE 58 2.247 11.454 -2.053 486 HG13 ILE 58 1HG1 ILE 58 1.668 10.063 -2.952 487 HG21 ILE 58 1HG2 ILE 58 4.301 9.360 0.312 488 HG22 ILE 58 2HG2 ILE 58 2.632 9.861 0.589 489 HG23 ILE 58 3HG2 ILE 58 3.812 11.023 -0.016 490 HD11 ILE 58 3HD1 ILE 58 0.971 10.728 -0.099 491 HD12 ILE 58 1HD1 ILE 58 0.395 9.326 -1.000 492 HD13 ILE 58 2HD1 ILE 58 -0.065 10.950 -1.507 493 H LEU 59 H LEU 59 4.627 7.347 -2.989 494 HA LEU 59 HA LEU 59 6.660 6.901 -0.943 495 HB2 LEU 59 2HB LEU 59 5.096 4.923 -2.599 496 HB3 LEU 59 1HB LEU 59 6.224 4.506 -1.322 497 HG LEU 59 HG LEU 59 3.639 6.020 -0.980 498 HD11 LEU 59 1HD1 LEU 59 4.445 3.249 -0.112 499 HD12 LEU 59 2HD1 LEU 59 3.334 3.641 -1.426 500 HD13 LEU 59 3HD1 LEU 59 2.910 4.043 0.238 501 HD21 LEU 59 3HD2 LEU 59 5.366 6.792 0.575 502 HD22 LEU 59 1HD2 LEU 59 5.643 5.128 1.092 503 HD23 LEU 59 2HD2 LEU 59 4.091 5.904 1.409 504 H ASN 60 H ASN 60 6.859 7.926 -3.929 505 HA ASN 60 HA ASN 60 8.369 7.856 -5.628 506 HB2 ASN 60 2HB ASN 60 9.862 8.177 -3.546 507 HB3 ASN 60 1HB ASN 60 10.282 6.478 -3.746 508 HD21 ASN 60 1HD2 ASN 60 11.550 5.858 -5.496 509 HD22 ASN 60 2HD2 ASN 60 12.406 7.002 -6.471 510 H LEU 61 H LEU 61 6.595 6.018 -5.952 511 HA LEU 61 HA LEU 61 8.067 3.600 -6.776 512 HB2 LEU 61 2HB LEU 61 5.253 3.778 -5.690 513 HB3 LEU 61 1HB LEU 61 5.952 2.339 -6.406 514 HG LEU 61 HG LEU 61 6.934 3.685 -3.886 515 HD11 LEU 61 1HD1 LEU 61 6.043 1.704 -2.759 516 HD12 LEU 61 2HD1 LEU 61 5.385 1.131 -4.292 517 HD13 LEU 61 3HD1 LEU 61 4.773 2.621 -3.570 518 HD21 LEU 61 3HD2 LEU 61 7.776 1.105 -5.205 519 HD22 LEU 61 1HD2 LEU 61 8.347 1.704 -3.647 520 HD23 LEU 61 2HD2 LEU 61 8.728 2.586 -5.126 521 H SER 62 H SER 62 6.598 2.378 -8.418 522 HA SER 62 HA SER 62 6.034 4.328 -10.502 523 HB2 SER 62 2HB SER 62 7.581 2.509 -11.020 524 HB3 SER 62 1HB SER 62 6.349 1.323 -10.601 525 HG SER 62 HG SER 62 6.664 2.848 -12.884 526 H TYR 63 H TYR 63 4.115 4.399 -11.606 527 HA TYR 63 HA TYR 63 1.735 4.059 -10.210 528 HB2 TYR 63 2HB TYR 63 1.892 5.622 -12.036 529 HB3 TYR 63 1HB TYR 63 2.283 4.341 -13.175 530 HD1 TYR 63 2HD TYR 63 -0.407 5.957 -11.264 531 HD2 TYR 63 1HD TYR 63 0.551 2.920 -14.086 532 HE1 TYR 63 2HE TYR 63 -2.792 5.737 -11.831 533 HE2 TYR 63 1HE TYR 63 -1.825 2.691 -14.658 534 HH TYR 63 HH TYR 63 -4.122 4.917 -13.916 535 H LYS 64 H LYS 64 3.323 1.959 -12.564 536 HA LYS 64 HA LYS 64 1.225 0.092 -12.781 537 HB2 LYS 64 2HB LYS 64 2.872 -1.343 -13.842 538 HB3 LYS 64 1HB LYS 64 3.008 0.293 -14.439 539 HG2 LYS 64 2HG LYS 64 5.203 -0.157 -14.181 540 HG3 LYS 64 1HG LYS 64 4.867 0.433 -12.553 541 HD2 LYS 64 2HD LYS 64 6.148 -1.594 -12.390 542 HD3 LYS 64 1HD LYS 64 4.506 -1.925 -11.838 543 HE2 LYS 64 2HE LYS 64 5.232 -3.742 -13.222 544 HE3 LYS 64 1HE LYS 64 3.993 -2.837 -14.087 545 HZ1 LYS 64 3HZ LYS 64 5.833 -3.413 -15.530 546 HZ2 LYS 64 1HZ LYS 64 6.921 -2.612 -14.514 547 HZ3 LYS 64 2HZ LYS 64 5.743 -1.727 -15.351 548 H GLN 65 H GLN 65 3.964 0.405 -10.645 549 HA GLN 65 HA GLN 65 3.730 -2.100 -9.357 550 HB2 GLN 65 2HB GLN 65 4.873 0.522 -8.373 551 HB3 GLN 65 1HB GLN 65 5.020 -1.002 -7.512 552 HG2 GLN 65 2HG GLN 65 6.279 -1.953 -9.347 553 HG3 GLN 65 1HG GLN 65 6.075 -0.472 -10.279 554 HE21 GLN 65 1HE2 GLN 65 8.506 -1.820 -9.399 555 HE22 GLN 65 2HE2 GLN 65 9.390 -0.653 -8.477 556 H VAL 66 H VAL 66 2.380 1.103 -8.686 557 HA VAL 66 HA VAL 66 1.107 0.297 -6.250 558 HB VAL 66 HB VAL 66 0.545 2.674 -8.030 559 HG11 VAL 66 1HG1 VAL 66 -0.590 3.634 -6.090 560 HG12 VAL 66 2HG1 VAL 66 -0.331 2.140 -5.192 561 HG13 VAL 66 3HG1 VAL 66 -1.377 2.144 -6.612 562 HG21 VAL 66 3HG2 VAL 66 1.860 3.908 -6.370 563 HG22 VAL 66 1HG2 VAL 66 2.811 2.632 -7.131 564 HG23 VAL 66 2HG2 VAL 66 2.172 2.404 -5.503 565 H LYS 67 H LYS 67 0.040 0.638 -9.595 566 HA LYS 67 HA LYS 67 -2.689 0.107 -9.184 567 HB2 LYS 67 2HB LYS 67 -1.463 1.018 -11.268 568 HB3 LYS 67 1HB LYS 67 -1.180 -0.666 -11.669 569 HG2 LYS 67 2HG LYS 67 -3.616 -1.051 -11.667 570 HG3 LYS 67 1HG LYS 67 -3.857 0.672 -11.355 571 HD2 LYS 67 2HD LYS 67 -2.505 1.106 -13.445 572 HD3 LYS 67 1HD LYS 67 -2.628 -0.621 -13.781 573 HE2 LYS 67 2HE LYS 67 -4.349 0.510 -15.003 574 HE3 LYS 67 1HE LYS 67 -5.108 -0.391 -13.692 575 HZ1 LYS 67 3HZ LYS 67 -5.974 1.896 -13.992 576 HZ2 LYS 67 1HZ LYS 67 -4.455 2.507 -13.562 577 HZ3 LYS 67 2HZ LYS 67 -5.356 1.616 -12.439 578 H THR 68 H THR 68 0.070 -1.982 -9.750 579 HA THR 68 HA THR 68 -1.350 -4.407 -10.075 580 HB THR 68 HB THR 68 1.490 -3.933 -9.143 581 HG1 THR 68 1HG THR 68 1.088 -3.198 -11.261 582 HG21 THR 68 3HG2 THR 68 1.906 -6.266 -9.774 583 HG22 THR 68 1HG2 THR 68 0.194 -6.475 -10.149 584 HG23 THR 68 2HG2 THR 68 0.702 -6.166 -8.488 585 H TRP 69 H TRP 69 0.107 -2.821 -7.247 586 HA TRP 69 HA TRP 69 -0.442 -4.884 -5.402 587 HB2 TRP 69 2HB TRP 69 1.116 -2.885 -5.070 588 HB3 TRP 69 1HB TRP 69 -0.328 -1.939 -4.728 589 HD1 TRP 69 HD TRP 69 1.960 -4.573 -3.212 590 HE1 TRP 69 1HE TRP 69 1.353 -4.886 -0.726 591 HE3 TRP 69 3HE TRP 69 -2.338 -1.794 -3.061 592 HZ2 TRP 69 2HZ TRP 69 -0.674 -4.072 1.047 593 HZ3 TRP 69 3HZ TRP 69 -3.547 -1.617 -0.928 594 HH2 TRP 69 HH TRP 69 -2.732 -2.733 1.085 595 H PHE 70 H PHE 70 -2.229 -1.973 -6.332 596 HA PHE 70 HA PHE 70 -4.429 -2.219 -4.654 597 HB2 PHE 70 2HB PHE 70 -4.234 -0.219 -5.896 598 HB3 PHE 70 1HB PHE 70 -4.108 -1.081 -7.425 599 HD1 PHE 70 1HD PHE 70 -6.470 -0.323 -4.658 600 HD2 PHE 70 2HD PHE 70 -5.984 -1.431 -8.738 601 HE1 PHE 70 1HE PHE 70 -8.889 -0.060 -5.019 602 HE2 PHE 70 2HE PHE 70 -8.399 -1.168 -9.105 603 HZ PHE 70 HZ PHE 70 -9.857 -0.488 -7.245 604 H GLN 71 H GLN 71 -3.970 -3.567 -7.919 605 HA GLN 71 HA GLN 71 -6.491 -4.810 -8.089 606 HB2 GLN 71 2HB GLN 71 -5.016 -4.368 -10.030 607 HB3 GLN 71 1HB GLN 71 -3.911 -5.608 -9.455 608 HG2 GLN 71 2HG GLN 71 -5.302 -6.444 -11.253 609 HG3 GLN 71 1HG GLN 71 -5.641 -7.299 -9.749 610 HE21 GLN 71 1HE2 GLN 71 -7.617 -6.933 -8.698 611 HE22 GLN 71 2HE2 GLN 71 -8.960 -6.226 -9.523 612 H ASN 72 H ASN 72 -3.396 -5.929 -6.890 613 HA ASN 72 HA ASN 72 -4.101 -8.634 -6.481 614 HB2 ASN 72 2HB ASN 72 -1.777 -8.060 -6.601 615 HB3 ASN 72 1HB ASN 72 -1.933 -6.892 -5.296 616 HD21 ASN 72 1HD2 ASN 72 -1.919 -7.592 -3.189 617 HD22 ASN 72 2HD2 ASN 72 -1.516 -9.211 -2.742 618 H GLN 73 H GLN 73 -3.997 -5.824 -4.326 619 HA GLN 73 HA GLN 73 -4.825 -7.127 -1.982 620 HB2 GLN 73 2HB GLN 73 -3.803 -4.918 -1.960 621 HB3 GLN 73 1HB GLN 73 -5.159 -4.250 -2.854 622 HG2 GLN 73 2HG GLN 73 -5.951 -5.560 -0.377 623 HG3 GLN 73 1HG GLN 73 -4.839 -4.215 -0.133 624 HE21 GLN 73 1HE2 GLN 73 -6.382 -2.921 0.827 625 HE22 GLN 73 2HE2 GLN 73 -7.688 -2.214 -0.050 626 H ARG 74 H ARG 74 -6.643 -5.529 -4.555 627 HA ARG 74 HA ARG 74 -9.188 -5.866 -3.365 628 HB2 ARG 74 2HB ARG 74 -8.644 -4.264 -5.214 629 HB3 ARG 74 1HB ARG 74 -8.568 -5.635 -6.313 630 HG2 ARG 74 2HG ARG 74 -10.906 -6.149 -5.837 631 HG3 ARG 74 1HG ARG 74 -10.983 -4.774 -4.735 632 HD2 ARG 74 2HD ARG 74 -10.403 -3.286 -6.624 633 HD3 ARG 74 1HD ARG 74 -10.463 -4.680 -7.701 634 HE ARG 74 HE ARG 74 -12.824 -3.938 -6.121 635 HH11 ARG 74 1HH1 ARG 74 -11.279 -4.404 -9.220 636 HH12 ARG 74 2HH1 ARG 74 -12.750 -4.268 -10.132 637 HH21 ARG 74 1HH2 ARG 74 -14.771 -3.746 -7.308 638 HH22 ARG 74 2HH2 ARG 74 -14.740 -3.881 -9.041 639 H MET 75 H MET 75 -7.250 -7.877 -5.542 640 HA MET 75 HA MET 75 -9.333 -9.781 -6.004 641 HB2 MET 75 2HB MET 75 -6.365 -9.824 -6.438 642 HB3 MET 75 1HB MET 75 -7.325 -11.280 -6.670 643 HG2 MET 75 2HG MET 75 -8.721 -10.047 -8.297 644 HG3 MET 75 1HG MET 75 -7.654 -8.658 -8.110 645 HE1 MET 75 3HE MET 75 -4.773 -9.911 -7.923 646 HE2 MET 75 1HE MET 75 -5.174 -8.550 -8.971 647 HE3 MET 75 2HE MET 75 -4.298 -9.936 -9.622 648 H LYS 76 H LYS 76 -6.684 -9.574 -3.684 649 HA LYS 76 HA LYS 76 -7.099 -12.130 -2.531 650 HB2 LYS 76 2HB LYS 76 -5.550 -9.706 -1.827 651 HB3 LYS 76 1HB LYS 76 -5.949 -10.785 -0.499 652 HG2 LYS 76 2HG LYS 76 -4.731 -11.901 -2.987 653 HG3 LYS 76 1HG LYS 76 -3.716 -11.074 -1.803 654 HD2 LYS 76 2HD LYS 76 -3.672 -13.409 -1.287 655 HD3 LYS 76 1HD LYS 76 -4.647 -12.608 -0.055 656 HE2 LYS 76 2HE LYS 76 -6.674 -13.256 -1.419 657 HE3 LYS 76 1HE LYS 76 -5.597 -14.270 -2.378 658 HZ1 LYS 76 3HZ LYS 76 -6.071 -14.505 0.547 659 HZ2 LYS 76 1HZ LYS 76 -5.001 -15.470 -0.346 660 HZ3 LYS 76 2HZ LYS 76 -6.668 -15.552 -0.645 661 H SER 77 H SER 77 -8.658 -9.067 -2.070 662 HA SER 77 HA SER 77 -9.804 -9.627 0.463 663 HB2 SER 77 2HB SER 77 -10.693 -7.723 -1.717 664 HB3 SER 77 1HB SER 77 -11.341 -7.748 -0.077 665 HG SER 77 HG SER 77 -8.670 -7.179 -0.876 666 H LYS 78 H LYS 78 -10.622 -10.518 -2.793 667 HA LYS 78 HA LYS 78 -13.272 -11.426 -1.969 668 HB2 LYS 78 2HB LYS 78 -12.948 -10.167 -4.120 669 HB3 LYS 78 1HB LYS 78 -12.036 -11.545 -4.722 670 HG2 LYS 78 2HG LYS 78 -13.971 -12.963 -4.572 671 HG3 LYS 78 1HG LYS 78 -14.897 -11.681 -3.791 672 HD2 LYS 78 2HD LYS 78 -14.578 -10.305 -5.858 673 HD3 LYS 78 1HD LYS 78 -13.856 -11.725 -6.619 674 HE2 LYS 78 2HE LYS 78 -15.919 -12.974 -6.285 675 HE3 LYS 78 1HE LYS 78 -16.637 -11.591 -5.460 676 HZ1 LYS 78 3HZ LYS 78 -15.835 -11.741 -8.313 677 HZ2 LYS 78 1HZ LYS 78 -16.364 -10.324 -7.544 678 HZ3 LYS 78 2HZ LYS 78 -17.411 -11.645 -7.696 679 H ARG 79 H ARG 79 -10.587 -12.831 -3.882 680 HA ARG 79 HA ARG 79 -10.845 -15.279 -2.313 681 HB2 ARG 79 2HB ARG 79 -11.195 -15.109 -5.291 682 HB3 ARG 79 1HB ARG 79 -10.595 -16.579 -4.539 683 HG2 ARG 79 2HG ARG 79 -12.644 -16.650 -3.150 684 HG3 ARG 79 1HG ARG 79 -13.252 -15.253 -4.041 685 HD2 ARG 79 2HD ARG 79 -13.270 -16.488 -6.093 686 HD3 ARG 79 1HD ARG 79 -12.433 -17.846 -5.341 687 HE ARG 79 HE ARG 79 -15.101 -17.053 -4.392 688 HH11 ARG 79 1HH1 ARG 79 -12.974 -19.409 -5.866 689 HH12 ARG 79 2HH1 ARG 79 -14.103 -20.720 -5.725 690 HH21 ARG 79 1HH2 ARG 79 -16.593 -18.735 -4.210 691 HH22 ARG 79 2HH2 ARG 79 -16.188 -20.332 -4.773 692 H TRP 80 H TRP 80 -9.126 -14.498 -5.322 693 HA TRP 80 HA TRP 80 -6.625 -14.221 -3.946 694 HB2 TRP 80 2HB TRP 80 -5.479 -16.083 -5.102 695 HB3 TRP 80 1HB TRP 80 -6.716 -16.647 -3.990 696 HD1 TRP 80 HD TRP 80 -6.038 -16.316 -7.774 697 HE1 TRP 80 1HE TRP 80 -7.531 -18.013 -9.017 698 HE3 TRP 80 3HE TRP 80 -8.802 -18.007 -3.814 699 HZ2 TRP 80 2HZ TRP 80 -9.606 -19.825 -8.386 700 HZ3 TRP 80 3HZ TRP 80 -10.518 -19.723 -4.220 701 HH2 TRP 80 HH TRP 80 -10.910 -20.613 -6.456 702 H GLN 81 H GLN 81 -4.800 -14.162 -5.723 703 HA GLN 81 HA GLN 81 -5.738 -12.158 -7.601 704 HB2 GLN 81 2HB GLN 81 -3.302 -11.789 -8.035 705 HB3 GLN 81 1HB GLN 81 -3.787 -11.540 -6.366 706 HG2 GLN 81 2HG GLN 81 -2.637 -14.156 -7.257 707 HG3 GLN 81 1HG GLN 81 -1.597 -12.790 -6.863 708 HE21 GLN 81 1HE2 GLN 81 -1.535 -12.024 -4.745 709 HE22 GLN 81 2HE2 GLN 81 -2.056 -13.003 -3.417 710 H LYS 82 H LYS 82 -5.949 -12.432 -9.723 711 HA LYS 82 HA LYS 82 -4.694 -14.753 -10.991 712 HB2 LYS 82 2HB LYS 82 -6.982 -15.447 -10.526 713 HB3 LYS 82 1HB LYS 82 -7.605 -13.979 -11.268 714 HG2 LYS 82 2HG LYS 82 -6.550 -14.729 -13.415 715 HG3 LYS 82 1HG LYS 82 -6.202 -16.267 -12.626 716 HD2 LYS 82 2HD LYS 82 -8.597 -16.582 -12.205 717 HD3 LYS 82 1HD LYS 82 -8.933 -15.048 -13.013 718 HE2 LYS 82 2HE LYS 82 -7.921 -15.953 -15.076 719 HE3 LYS 82 1HE LYS 82 -7.683 -17.497 -14.258 720 HZ1 LYS 82 3HZ LYS 82 -10.121 -17.575 -13.917 721 HZ2 LYS 82 1HZ LYS 82 -9.666 -17.614 -15.550 722 HZ3 LYS 82 2HZ LYS 82 -10.273 -16.183 -14.877 723 H ASN 83 H ASN 83 -3.352 -13.821 -12.415 724 HA ASN 83 HA ASN 83 -4.482 -11.745 -14.156 725 HB2 ASN 83 2HB ASN 83 -2.144 -11.221 -14.809 726 HB3 ASN 83 1HB ASN 83 -2.438 -10.980 -13.093 727 HD21 ASN 83 1HD2 ASN 83 -0.747 -12.811 -15.486 728 HD22 ASN 83 2HD2 ASN 83 0.294 -13.669 -14.397 729 H ASN 84 H ASN 84 -2.371 -14.608 -14.266 730 HA ASN 84 HA ASN 84 -3.702 -15.358 -16.779 731 HB2 ASN 84 2HB ASN 84 -0.776 -15.665 -16.059 732 HB3 ASN 84 1HB ASN 84 -1.535 -16.531 -17.387 733 HD21 ASN 84 1HD2 ASN 84 -0.356 -15.629 -19.007 734 HD22 ASN 84 2HD2 ASN 84 -0.450 -13.958 -19.449 Start of MODEL 18 1 H1 SER 1 H1 SER 1 -6.052 14.215 -3.731 2 H2 SER 1 H2 SER 1 -4.640 13.505 -4.360 3 H3 SER 1 H3 SER 1 -6.007 12.557 -4.069 4 HA SER 1 HA SER 1 -5.666 13.069 -6.430 5 HB2 SER 1 2HB SER 1 -8.181 14.300 -5.290 6 HB3 SER 1 1HB SER 1 -7.987 13.501 -6.850 7 HG SER 1 HG SER 1 -8.842 12.353 -4.732 8 H LYS 2 H LYS 2 -4.281 15.242 -4.908 9 HA LYS 2 HA LYS 2 -4.262 17.280 -6.818 10 HB2 LYS 2 2HB LYS 2 -6.438 17.964 -6.078 11 HB3 LYS 2 1HB LYS 2 -5.964 17.852 -4.388 12 HG2 LYS 2 2HG LYS 2 -6.077 20.158 -5.014 13 HG3 LYS 2 1HG LYS 2 -4.387 19.728 -4.752 14 HD2 LYS 2 2HD LYS 2 -4.285 19.347 -7.281 15 HD3 LYS 2 1HD LYS 2 -5.828 20.203 -7.349 16 HE2 LYS 2 2HE LYS 2 -3.175 21.240 -6.366 17 HE3 LYS 2 1HE LYS 2 -4.109 21.802 -7.751 18 HZ1 LYS 2 3HZ LYS 2 -4.815 22.105 -4.884 19 HZ2 LYS 2 1HZ LYS 2 -5.853 22.507 -6.167 20 HZ3 LYS 2 2HZ LYS 2 -4.383 23.336 -5.968 21 H GLN 3 H GLN 3 -4.067 16.896 -3.290 22 HA GLN 3 HA GLN 3 -1.273 17.524 -3.281 23 HB2 GLN 3 2HB GLN 3 -1.565 19.569 -1.812 24 HB3 GLN 3 1HB GLN 3 -1.968 19.778 -3.511 25 HG2 GLN 3 2HG GLN 3 -4.361 19.438 -2.915 26 HG3 GLN 3 1HG GLN 3 -3.886 19.431 -1.218 27 HE21 GLN 3 1HE2 GLN 3 -3.148 21.321 -0.270 28 HE22 GLN 3 2HE2 GLN 3 -3.435 22.875 -0.986 29 HA PRO 4 HA PRO 4 -2.534 15.201 0.460 30 HB2 PRO 4 2HB PRO 4 -1.162 12.954 0.012 31 HB3 PRO 4 1HB PRO 4 -2.694 13.258 -0.817 32 HG2 PRO 4 2HG PRO 4 0.095 13.482 -1.842 33 HG3 PRO 4 1HG PRO 4 -1.371 12.940 -2.677 34 HD2 PRO 4 2HD PRO 4 -0.226 15.494 -2.843 35 HD3 PRO 4 1HD PRO 4 -1.862 15.047 -3.361 36 H THR 5 H THR 5 -0.978 17.219 0.897 37 HA THR 5 HA THR 5 1.767 16.870 1.186 38 HB THR 5 HB THR 5 1.535 18.678 2.988 39 HG1 THR 5 1HG THR 5 -0.427 19.282 3.545 40 HG21 THR 5 3HG2 THR 5 2.103 19.193 0.674 41 HG22 THR 5 1HG2 THR 5 0.999 20.408 1.321 42 HG23 THR 5 2HG2 THR 5 0.396 19.161 0.232 43 H SER 6 H SER 6 -0.852 16.209 3.383 44 HA SER 6 HA SER 6 -1.099 14.787 5.121 45 HB2 SER 6 2HB SER 6 1.466 13.510 4.172 46 HB3 SER 6 1HB SER 6 0.195 12.758 5.138 47 HG SER 6 HG SER 6 0.132 13.545 2.419 48 H ALA 7 H ALA 7 -0.835 16.292 6.747 49 HA ALA 7 HA ALA 7 1.734 16.885 7.874 50 HB1 ALA 7 1HB ALA 7 -1.031 17.253 9.034 51 HB2 ALA 7 2HB ALA 7 -0.127 18.449 8.106 52 HB3 ALA 7 3HB ALA 7 0.459 17.936 9.687 53 H GLU 8 H GLU 8 2.608 16.097 9.822 54 HA GLU 8 HA GLU 8 2.124 13.347 10.324 55 HB2 GLU 8 2HB GLU 8 3.732 15.315 11.966 56 HB3 GLU 8 1HB GLU 8 3.777 13.567 12.130 57 HG2 GLU 8 2HG GLU 8 5.599 13.818 10.829 58 HG3 GLU 8 1HG GLU 8 4.390 13.730 9.551 59 H ASN 9 H ASN 9 -0.158 13.457 10.786 60 HA ASN 9 HA ASN 9 -1.033 14.602 13.274 61 HB2 ASN 9 2HB ASN 9 -2.554 14.400 11.343 62 HB3 ASN 9 1HB ASN 9 -2.418 12.647 11.426 63 HD21 ASN 9 1HD2 ASN 9 -3.548 11.530 12.966 64 HD22 ASN 9 2HD2 ASN 9 -4.748 12.261 13.973 65 H SER 10 H SER 10 -0.135 13.750 15.032 66 HA SER 10 HA SER 10 0.523 12.291 16.632 67 HB2 SER 10 2HB SER 10 -1.614 10.586 15.344 68 HB3 SER 10 1HB SER 10 -0.812 10.189 16.865 69 HG SER 10 HG SER 10 -1.818 11.810 17.851 70 H VAL 11 H VAL 11 1.804 12.302 13.994 71 HA VAL 11 HA VAL 11 3.305 11.217 12.703 72 HB VAL 11 HB VAL 11 5.158 10.194 13.864 73 HG11 VAL 11 1HG1 VAL 11 5.010 12.604 13.908 74 HG12 VAL 11 2HG1 VAL 11 5.707 12.012 15.416 75 HG13 VAL 11 3HG1 VAL 11 4.025 12.542 15.371 76 HG21 VAL 11 3HG2 VAL 11 3.465 10.231 16.360 77 HG22 VAL 11 1HG2 VAL 11 5.167 9.783 16.263 78 HG23 VAL 11 2HG2 VAL 11 3.946 8.790 15.465 79 H ALA 12 H ALA 12 4.629 8.770 12.928 80 HA ALA 12 HA ALA 12 2.619 6.984 11.882 81 HB1 ALA 12 1HB ALA 12 4.814 7.147 10.805 82 HB2 ALA 12 2HB ALA 12 4.497 5.507 11.374 83 HB3 ALA 12 3HB ALA 12 5.580 6.561 12.281 84 H LYS 13 H LYS 13 1.781 5.228 12.858 85 HA LYS 13 HA LYS 13 2.689 4.655 15.596 86 HB2 LYS 13 2HB LYS 13 0.194 3.872 15.863 87 HB3 LYS 13 1HB LYS 13 0.620 5.565 16.050 88 HG2 LYS 13 2HG LYS 13 -0.205 4.608 13.357 89 HG3 LYS 13 1HG LYS 13 -1.441 4.816 14.600 90 HD2 LYS 13 2HD LYS 13 -0.822 7.123 14.904 91 HD3 LYS 13 1HD LYS 13 0.549 6.938 13.811 92 HE2 LYS 13 2HE LYS 13 -0.984 6.508 11.961 93 HE3 LYS 13 1HE LYS 13 -2.358 6.671 13.054 94 HZ1 LYS 13 3HZ LYS 13 -0.384 8.840 12.601 95 HZ2 LYS 13 1HZ LYS 13 -1.891 8.952 13.372 96 HZ3 LYS 13 2HZ LYS 13 -1.814 8.688 11.698 97 H LYS 14 H LYS 14 3.176 3.465 12.832 98 HA LYS 14 HA LYS 14 3.704 1.438 11.998 99 HB2 LYS 14 2HB LYS 14 3.092 0.581 14.812 100 HB3 LYS 14 1HB LYS 14 3.466 -0.598 13.565 101 HG2 LYS 14 2HG LYS 14 5.486 -0.229 14.660 102 HG3 LYS 14 1HG LYS 14 5.604 0.725 13.183 103 HD2 LYS 14 2HD LYS 14 5.092 2.750 14.404 104 HD3 LYS 14 1HD LYS 14 4.813 1.827 15.881 105 HE2 LYS 14 2HE LYS 14 7.160 1.099 15.849 106 HE3 LYS 14 1HE LYS 14 7.429 2.054 14.392 107 HZ1 LYS 14 3HZ LYS 14 6.919 4.051 15.642 108 HZ2 LYS 14 1HZ LYS 14 8.175 3.202 16.398 109 HZ3 LYS 14 2HZ LYS 14 6.603 3.141 17.037 110 H GLU 15 H GLU 15 2.769 -0.617 11.279 111 HA GLU 15 HA GLU 15 -0.013 -0.335 10.655 112 HB2 GLU 15 2HB GLU 15 1.816 -2.700 10.170 113 HB3 GLU 15 1HB GLU 15 0.266 -2.410 9.397 114 HG2 GLU 15 2HG GLU 15 1.879 -1.835 7.804 115 HG3 GLU 15 1HG GLU 15 1.287 -0.302 8.439 116 H ASP 16 H ASP 16 1.851 -2.890 12.254 117 HA ASP 16 HA ASP 16 0.139 -3.046 14.498 118 HB2 ASP 16 2HB ASP 16 -0.704 -5.343 14.166 119 HB3 ASP 16 1HB ASP 16 -1.367 -4.231 12.977 120 H LYS 17 H LYS 17 0.909 -4.620 16.051 121 HA LYS 17 HA LYS 17 2.574 -5.612 17.246 122 HB2 LYS 17 2HB LYS 17 3.773 -6.302 14.553 123 HB3 LYS 17 1HB LYS 17 4.202 -7.030 16.092 124 HG2 LYS 17 2HG LYS 17 2.121 -8.136 16.258 125 HG3 LYS 17 1HG LYS 17 1.437 -7.194 14.931 126 HD2 LYS 17 2HD LYS 17 3.092 -8.223 13.400 127 HD3 LYS 17 1HD LYS 17 3.663 -9.221 14.736 128 HE2 LYS 17 2HE LYS 17 2.064 -10.370 13.215 129 HE3 LYS 17 1HE LYS 17 1.557 -10.331 14.903 130 HZ1 LYS 17 3HZ LYS 17 -0.081 -8.797 14.467 131 HZ2 LYS 17 1HZ LYS 17 -0.143 -9.764 13.079 132 HZ3 LYS 17 2HZ LYS 17 0.627 -8.247 13.027 133 H VAL 18 H VAL 18 5.239 -5.709 17.178 134 HA VAL 18 HA VAL 18 6.158 -3.036 16.345 135 HB VAL 18 HB VAL 18 7.226 -4.618 18.694 136 HG11 VAL 18 1HG1 VAL 18 7.800 -1.802 17.770 137 HG12 VAL 18 2HG1 VAL 18 8.893 -3.179 17.642 138 HG13 VAL 18 3HG1 VAL 18 8.441 -2.558 19.230 139 HG21 VAL 18 3HG2 VAL 18 4.984 -3.822 19.185 140 HG22 VAL 18 1HG2 VAL 18 5.427 -2.195 18.671 141 HG23 VAL 18 2HG2 VAL 18 6.177 -2.902 20.103 142 HA PRO 19 HA PRO 19 8.534 -6.225 14.095 143 HB2 PRO 19 2HB PRO 19 8.385 -5.125 11.652 144 HB3 PRO 19 1HB PRO 19 7.046 -6.041 12.352 145 HG2 PRO 19 2HG PRO 19 7.386 -3.097 12.065 146 HG3 PRO 19 1HG PRO 19 5.913 -4.074 11.955 147 HD2 PRO 19 2HD PRO 19 6.731 -2.595 14.178 148 HD3 PRO 19 1HD PRO 19 5.512 -3.884 14.180 149 H VAL 20 H VAL 20 10.560 -5.893 14.884 150 HA VAL 20 HA VAL 20 12.143 -3.833 13.531 151 HB VAL 20 HB VAL 20 12.529 -4.538 16.442 152 HG11 VAL 20 1HG1 VAL 20 14.552 -3.802 15.294 153 HG12 VAL 20 2HG1 VAL 20 14.020 -2.604 16.475 154 HG13 VAL 20 3HG1 VAL 20 13.724 -2.342 14.757 155 HG21 VAL 20 3HG2 VAL 20 10.424 -3.343 16.194 156 HG22 VAL 20 1HG2 VAL 20 11.233 -2.079 15.272 157 HG23 VAL 20 2HG2 VAL 20 11.629 -2.320 16.973 158 H LYS 21 H LYS 21 12.627 -5.719 12.173 159 HA LYS 21 HA LYS 21 14.685 -7.403 13.431 160 HB2 LYS 21 2HB LYS 21 14.248 -9.121 11.792 161 HB3 LYS 21 1HB LYS 21 12.750 -8.691 12.602 162 HG2 LYS 21 2HG LYS 21 12.108 -7.328 10.662 163 HG3 LYS 21 1HG LYS 21 13.596 -7.814 9.846 164 HD2 LYS 21 2HD LYS 21 12.844 -10.204 10.141 165 HD3 LYS 21 1HD LYS 21 11.288 -9.567 10.671 166 HE2 LYS 21 2HE LYS 21 11.062 -8.390 8.520 167 HE3 LYS 21 1HE LYS 21 12.593 -9.085 7.995 168 HZ1 LYS 21 3HZ LYS 21 11.501 -11.321 8.431 169 HZ2 LYS 21 1HZ LYS 21 10.947 -10.451 7.087 170 HZ3 LYS 21 2HZ LYS 21 10.030 -10.479 8.505 171 H LYS 22 H LYS 22 14.021 -5.027 11.123 172 HA LYS 22 HA LYS 22 15.359 -3.678 9.908 173 HB2 LYS 22 2HB LYS 22 17.590 -5.318 11.094 174 HB3 LYS 22 1HB LYS 22 17.829 -3.872 10.122 175 HG2 LYS 22 2HG LYS 22 16.615 -2.554 11.781 176 HG3 LYS 22 1HG LYS 22 16.360 -4.007 12.746 177 HD2 LYS 22 2HD LYS 22 18.791 -4.265 12.975 178 HD3 LYS 22 1HD LYS 22 19.023 -2.778 12.053 179 HE2 LYS 22 2HE LYS 22 17.817 -1.521 13.759 180 HE3 LYS 22 1HE LYS 22 17.541 -3.007 14.669 181 HZ1 LYS 22 3HZ LYS 22 20.141 -1.677 14.143 182 HZ2 LYS 22 1HZ LYS 22 19.999 -3.228 14.818 183 HZ3 LYS 22 2HZ LYS 22 19.370 -1.883 15.637 184 H GLN 23 H GLN 23 16.024 -7.119 9.578 185 HA GLN 23 HA GLN 23 17.287 -6.952 7.047 186 HB2 GLN 23 2HB GLN 23 15.822 -9.257 8.344 187 HB3 GLN 23 1HB GLN 23 16.841 -9.386 6.917 188 HG2 GLN 23 2HG GLN 23 18.774 -8.702 8.204 189 HG3 GLN 23 1HG GLN 23 17.767 -8.487 9.634 190 HE21 GLN 23 1HE2 GLN 23 20.068 -10.206 9.226 191 HE22 GLN 23 2HE2 GLN 23 19.524 -11.821 9.556 192 H LYS 24 H LYS 24 16.458 -6.664 5.082 193 HA LYS 24 HA LYS 24 13.557 -6.723 4.727 194 HB2 LYS 24 2HB LYS 24 15.774 -5.769 2.903 195 HB3 LYS 24 1HB LYS 24 14.077 -5.777 2.457 196 HG2 LYS 24 2HG LYS 24 14.531 -3.574 3.097 197 HG3 LYS 24 1HG LYS 24 13.692 -4.280 4.477 198 HD2 LYS 24 2HD LYS 24 15.835 -4.645 5.593 199 HD3 LYS 24 1HD LYS 24 16.679 -3.950 4.209 200 HE2 LYS 24 2HE LYS 24 15.678 -1.808 4.600 201 HE3 LYS 24 1HE LYS 24 14.630 -2.473 5.854 202 HZ1 LYS 24 3HZ LYS 24 16.533 -1.294 6.792 203 HZ2 LYS 24 1HZ LYS 24 17.597 -2.343 5.985 204 HZ3 LYS 24 2HZ LYS 24 16.570 -2.939 7.195 205 H THR 25 H THR 25 12.527 -8.140 3.359 206 HA THR 25 HA THR 25 13.670 -10.647 2.870 207 HB THR 25 HB THR 25 11.345 -9.579 1.286 208 HG1 THR 25 1HG THR 25 10.207 -10.452 3.333 209 HG21 THR 25 3HG2 THR 25 11.923 -12.262 2.553 210 HG22 THR 25 1HG2 THR 25 12.087 -11.873 0.841 211 HG23 THR 25 2HG2 THR 25 10.495 -11.859 1.599 212 H ARG 26 H ARG 26 12.803 -8.073 0.582 213 HA ARG 26 HA ARG 26 15.182 -8.195 -0.896 214 HB2 ARG 26 2HB ARG 26 14.201 -10.368 -1.649 215 HB3 ARG 26 1HB ARG 26 12.818 -9.485 -2.274 216 HG2 ARG 26 2HG ARG 26 14.098 -8.457 -3.954 217 HG3 ARG 26 1HG ARG 26 15.621 -8.924 -3.189 218 HD2 ARG 26 2HD ARG 26 13.591 -10.790 -4.410 219 HD3 ARG 26 1HD ARG 26 15.143 -10.338 -5.119 220 HE ARG 26 HE ARG 26 16.031 -11.352 -2.884 221 HH11 ARG 26 1HH1 ARG 26 13.297 -12.543 -4.730 222 HH12 ARG 26 2HH1 ARG 26 13.562 -14.199 -4.273 223 HH21 ARG 26 1HH2 ARG 26 16.346 -13.508 -2.265 224 HH22 ARG 26 2HH2 ARG 26 15.278 -14.739 -2.857 225 H THR 27 H THR 27 11.939 -7.932 -2.282 226 HA THR 27 HA THR 27 12.187 -5.006 -2.098 227 HB THR 27 HB THR 27 10.478 -4.989 -3.986 228 HG1 THR 27 1HG THR 27 9.804 -7.055 -4.219 229 HG21 THR 27 3HG2 THR 27 13.259 -6.035 -4.545 230 HG22 THR 27 1HG2 THR 27 12.806 -4.346 -4.334 231 HG23 THR 27 2HG2 THR 27 12.210 -5.250 -5.727 232 H VAL 28 H VAL 28 10.534 -3.915 -1.189 233 HA VAL 28 HA VAL 28 8.090 -5.213 -0.379 234 HB VAL 28 HB VAL 28 8.506 -4.749 2.079 235 HG11 VAL 28 1HG1 VAL 28 8.473 -7.029 1.193 236 HG12 VAL 28 2HG1 VAL 28 9.624 -6.861 2.517 237 HG13 VAL 28 3HG1 VAL 28 10.199 -6.922 0.850 238 HG21 VAL 28 3HG2 VAL 28 10.460 -3.327 1.857 239 HG22 VAL 28 1HG2 VAL 28 11.385 -4.666 1.176 240 HG23 VAL 28 2HG2 VAL 28 10.836 -4.733 2.850 241 H PHE 29 H PHE 29 6.926 -3.695 1.245 242 HA PHE 29 HA PHE 29 7.490 -0.907 0.557 243 HB2 PHE 29 2HB PHE 29 4.965 -2.251 1.531 244 HB3 PHE 29 1HB PHE 29 5.150 -0.515 1.387 245 HD1 PHE 29 2HD PHE 29 4.825 -3.662 -0.445 246 HD2 PHE 29 1HD PHE 29 5.148 0.569 -0.758 247 HE1 PHE 29 2HE PHE 29 4.116 -3.785 -2.797 248 HE2 PHE 29 1HE PHE 29 4.434 0.452 -3.107 249 HZ PHE 29 HZ PHE 29 3.918 -1.723 -4.131 250 H SER 30 H SER 30 8.067 0.459 2.166 251 HA SER 30 HA SER 30 8.913 -0.674 4.648 252 HB2 SER 30 2HB SER 30 8.783 2.257 3.896 253 HB3 SER 30 1HB SER 30 9.824 1.508 5.109 254 HG SER 30 HG SER 30 10.117 1.656 2.372 255 H SER 31 H SER 31 8.212 0.004 6.778 256 HA SER 31 HA SER 31 5.449 -0.021 7.140 257 HB2 SER 31 2HB SER 31 7.616 0.930 9.022 258 HB3 SER 31 1HB SER 31 5.944 0.629 9.496 259 HG SER 31 HG SER 31 6.190 -1.524 8.990 260 H THR 32 H THR 32 7.679 2.704 6.930 261 HA THR 32 HA THR 32 5.982 4.792 7.600 262 HB THR 32 HB THR 32 7.870 4.997 5.264 263 HG1 THR 32 1HG THR 32 9.581 5.162 6.790 264 HG21 THR 32 3HG2 THR 32 7.220 6.850 7.564 265 HG22 THR 32 1HG2 THR 32 6.619 7.003 5.912 266 HG23 THR 32 2HG2 THR 32 8.340 7.200 6.247 267 H GLN 33 H GLN 33 6.430 3.164 4.495 268 HA GLN 33 HA GLN 33 4.537 4.739 3.066 269 HB2 GLN 33 2HB GLN 33 5.473 1.955 2.353 270 HB3 GLN 33 1HB GLN 33 4.891 3.206 1.262 271 HG2 GLN 33 2HG GLN 33 6.861 4.519 1.619 272 HG3 GLN 33 1HG GLN 33 7.418 3.415 2.876 273 HE21 GLN 33 1HE2 GLN 33 5.929 2.370 -0.112 274 HE22 GLN 33 2HE2 GLN 33 7.348 1.655 -0.792 275 H LEU 34 H LEU 34 4.504 1.539 4.573 276 HA LEU 34 HA LEU 34 1.902 0.789 3.879 277 HB2 LEU 34 2HB LEU 34 3.562 0.074 6.290 278 HB3 LEU 34 1HB LEU 34 2.044 -0.703 5.888 279 HG LEU 34 HG LEU 34 4.526 -0.730 4.169 280 HD11 LEU 34 1HD1 LEU 34 4.783 -2.066 6.191 281 HD12 LEU 34 2HD1 LEU 34 4.645 -3.095 4.765 282 HD13 LEU 34 3HD1 LEU 34 3.265 -2.896 5.845 283 HD21 LEU 34 3HD2 LEU 34 2.475 -0.808 2.849 284 HD22 LEU 34 1HD2 LEU 34 1.883 -2.145 3.836 285 HD23 LEU 34 2HD2 LEU 34 3.310 -2.362 2.821 286 H CYS 35 H CYS 35 3.067 2.572 6.738 287 HA CYS 35 HA CYS 35 0.640 2.824 8.073 288 HB2 CYS 35 2HB CYS 35 3.004 4.689 7.901 289 HB3 CYS 35 1HB CYS 35 1.616 5.022 8.929 290 HG CYS 35 HG CYS 35 3.157 2.020 9.299 291 H VAL 36 H VAL 36 2.008 4.858 5.499 292 HA VAL 36 HA VAL 36 -0.100 6.743 5.453 293 HB VAL 36 HB VAL 36 1.811 5.967 3.240 294 HG11 VAL 36 1HG1 VAL 36 -0.138 7.114 2.339 295 HG12 VAL 36 2HG1 VAL 36 1.287 8.150 2.262 296 HG13 VAL 36 3HG1 VAL 36 0.071 8.418 3.511 297 HG21 VAL 36 3HG2 VAL 36 1.934 8.201 5.265 298 HG22 VAL 36 1HG2 VAL 36 3.074 7.947 3.943 299 HG23 VAL 36 2HG2 VAL 36 2.949 6.760 5.242 300 H LEU 37 H LEU 37 0.482 3.793 3.563 301 HA LEU 37 HA LEU 37 -1.770 4.038 1.887 302 HB2 LEU 37 2HB LEU 37 -0.302 1.548 2.765 303 HB3 LEU 37 1HB LEU 37 -1.436 1.637 1.431 304 HG LEU 37 HG LEU 37 1.185 3.132 1.571 305 HD11 LEU 37 1HD1 LEU 37 1.930 1.570 -0.151 306 HD12 LEU 37 2HD1 LEU 37 0.405 0.693 -0.020 307 HD13 LEU 37 3HD1 LEU 37 1.521 0.727 1.344 308 HD21 LEU 37 3HD2 LEU 37 0.747 3.626 -0.787 309 HD22 LEU 37 1HD2 LEU 37 -0.500 4.303 0.261 310 HD23 LEU 37 2HD2 LEU 37 -0.823 2.834 -0.659 311 H ASN 38 H ASN 38 -1.282 2.330 4.951 312 HA ASN 38 HA ASN 38 -3.906 1.239 5.076 313 HB2 ASN 38 2HB ASN 38 -2.079 0.227 6.318 314 HB3 ASN 38 1HB ASN 38 -1.827 1.709 7.229 315 HD21 ASN 38 1HD2 ASN 38 -3.012 2.076 9.017 316 HD22 ASN 38 2HD2 ASN 38 -4.206 0.991 9.635 317 H ASP 39 H ASP 39 -2.445 4.225 6.180 318 HA ASP 39 HA ASP 39 -4.532 5.267 7.714 319 HB2 ASP 39 2HB ASP 39 -2.381 6.372 7.604 320 HB3 ASP 39 1HB ASP 39 -2.563 6.647 5.875 321 H ARG 40 H ARG 40 -3.989 5.319 4.227 322 HA ARG 40 HA ARG 40 -6.253 6.895 3.583 323 HB2 ARG 40 2HB ARG 40 -4.329 5.211 2.063 324 HB3 ARG 40 1HB ARG 40 -5.866 5.566 1.287 325 HG2 ARG 40 2HG ARG 40 -4.064 7.140 0.680 326 HG3 ARG 40 1HG ARG 40 -5.454 7.927 1.423 327 HD2 ARG 40 2HD ARG 40 -4.301 8.157 3.504 328 HD3 ARG 40 1HD ARG 40 -2.973 7.145 2.939 329 HE ARG 40 HE ARG 40 -2.960 9.163 1.165 330 HH11 ARG 40 1HH1 ARG 40 -3.084 9.168 4.669 331 HH12 ARG 40 2HH1 ARG 40 -2.139 10.621 4.819 332 HH21 ARG 40 1HH2 ARG 40 -1.710 11.056 1.359 333 HH22 ARG 40 2HH2 ARG 40 -1.345 11.699 2.931 334 H PHE 41 H PHE 41 -5.698 3.378 3.569 335 HA PHE 41 HA PHE 41 -8.231 2.645 2.629 336 HB2 PHE 41 2HB PHE 41 -6.161 1.197 4.252 337 HB3 PHE 41 1HB PHE 41 -7.718 0.448 3.901 338 HD1 PHE 41 1HD PHE 41 -8.351 1.180 1.252 339 HD2 PHE 41 2HD PHE 41 -4.538 0.278 2.905 340 HE1 PHE 41 1HE PHE 41 -7.552 0.552 -0.961 341 HE2 PHE 41 2HE PHE 41 -3.725 -0.372 0.675 342 HZ PHE 41 HZ PHE 41 -5.232 -0.237 -1.269 343 H GLN 42 H GLN 42 -7.237 3.746 5.767 344 HA GLN 42 HA GLN 42 -9.573 2.761 7.132 345 HB2 GLN 42 2HB GLN 42 -7.428 4.722 7.928 346 HB3 GLN 42 1HB GLN 42 -8.805 4.354 8.959 347 HG2 GLN 42 2HG GLN 42 -8.141 1.995 8.978 348 HG3 GLN 42 1HG GLN 42 -6.740 2.394 7.984 349 HE21 GLN 42 1HE2 GLN 42 -5.064 3.594 8.880 350 HE22 GLN 42 2HE2 GLN 42 -4.864 3.748 10.589 351 H ARG 43 H ARG 43 -8.772 5.640 5.333 352 HA ARG 43 HA ARG 43 -11.182 6.952 6.382 353 HB2 ARG 43 2HB ARG 43 -10.260 9.023 5.292 354 HB3 ARG 43 1HB ARG 43 -9.308 8.386 6.624 355 HG2 ARG 43 2HG ARG 43 -7.788 7.336 4.979 356 HG3 ARG 43 1HG ARG 43 -8.720 8.094 3.687 357 HD2 ARG 43 2HD ARG 43 -7.313 9.569 5.909 358 HD3 ARG 43 1HD ARG 43 -6.689 9.366 4.272 359 HE ARG 43 HE ARG 43 -8.906 10.529 3.639 360 HH11 ARG 43 1HH1 ARG 43 -6.961 11.220 6.477 361 HH12 ARG 43 2HH1 ARG 43 -7.468 12.879 6.567 362 HH21 ARG 43 1HH2 ARG 43 -9.592 12.698 3.766 363 HH22 ARG 43 2HH2 ARG 43 -8.950 13.740 5.004 364 H GLN 44 H GLN 44 -9.965 5.363 3.629 365 HA GLN 44 HA GLN 44 -12.523 5.794 2.311 366 HB2 GLN 44 2HB GLN 44 -11.430 6.174 0.112 367 HB3 GLN 44 1HB GLN 44 -11.157 7.484 1.250 368 HG2 GLN 44 2HG GLN 44 -8.928 6.618 1.723 369 HG3 GLN 44 1HG GLN 44 -9.203 5.291 0.594 370 HE21 GLN 44 1HE2 GLN 44 -9.270 5.714 -1.604 371 HE22 GLN 44 2HE2 GLN 44 -8.622 7.168 -2.283 372 H LYS 45 H LYS 45 -13.157 4.073 1.017 373 HA LYS 45 HA LYS 45 -12.134 1.582 1.851 374 HB2 LYS 45 2HB LYS 45 -13.719 0.644 0.124 375 HB3 LYS 45 1HB LYS 45 -14.438 1.685 1.344 376 HG2 LYS 45 2HG LYS 45 -14.264 3.559 -0.348 377 HG3 LYS 45 1HG LYS 45 -13.884 2.312 -1.541 378 HD2 LYS 45 2HD LYS 45 -15.992 1.188 -1.062 379 HD3 LYS 45 1HD LYS 45 -16.360 2.386 0.181 380 HE2 LYS 45 2HE LYS 45 -17.588 2.964 -1.779 381 HE3 LYS 45 1HE LYS 45 -16.288 4.139 -1.593 382 HZ1 LYS 45 3HZ LYS 45 -16.617 3.308 -3.892 383 HZ2 LYS 45 1HZ LYS 45 -16.136 1.770 -3.369 384 HZ3 LYS 45 2HZ LYS 45 -15.048 3.069 -3.300 385 H TYR 46 H TYR 46 -11.828 3.277 -1.275 386 HA TYR 46 HA TYR 46 -9.470 1.655 -1.860 387 HB2 TYR 46 2HB TYR 46 -11.861 1.835 -3.706 388 HB3 TYR 46 1HB TYR 46 -10.275 1.247 -4.199 389 HD1 TYR 46 2HD TYR 46 -9.359 -0.581 -2.306 390 HD2 TYR 46 1HD TYR 46 -13.401 0.164 -3.411 391 HE1 TYR 46 2HE TYR 46 -9.972 -2.851 -1.585 392 HE2 TYR 46 1HE TYR 46 -14.023 -2.102 -2.684 393 HH TYR 46 HH TYR 46 -11.944 -4.072 -0.842 394 H LEU 47 H LEU 47 -8.396 2.472 -3.913 395 HA LEU 47 HA LEU 47 -8.384 5.396 -3.832 396 HB2 LEU 47 2HB LEU 47 -6.427 3.372 -4.900 397 HB3 LEU 47 1HB LEU 47 -6.286 5.082 -5.252 398 HG LEU 47 HG LEU 47 -6.204 5.465 -2.744 399 HD11 LEU 47 1HD1 LEU 47 -5.714 2.492 -2.732 400 HD12 LEU 47 2HD1 LEU 47 -7.098 3.322 -2.018 401 HD13 LEU 47 3HD1 LEU 47 -5.479 3.583 -1.368 402 HD21 LEU 47 3HD2 LEU 47 -4.243 5.624 -4.165 403 HD22 LEU 47 1HD2 LEU 47 -3.999 3.881 -4.051 404 HD23 LEU 47 2HD2 LEU 47 -3.829 4.891 -2.617 405 H SER 48 H SER 48 -8.485 6.656 -5.730 406 HA SER 48 HA SER 48 -10.052 5.441 -7.848 407 HB2 SER 48 2HB SER 48 -10.398 7.791 -8.579 408 HB3 SER 48 1HB SER 48 -10.861 7.541 -6.896 409 HG SER 48 HG SER 48 -9.626 9.419 -7.072 410 H LEU 49 H LEU 49 -9.532 6.641 -10.054 411 HA LEU 49 HA LEU 49 -7.100 5.553 -10.989 412 HB2 LEU 49 2HB LEU 49 -9.264 6.047 -12.273 413 HB3 LEU 49 1HB LEU 49 -8.701 7.702 -12.370 414 HG LEU 49 HG LEU 49 -8.302 6.285 -14.415 415 HD11 LEU 49 1HD1 LEU 49 -5.868 7.486 -13.107 416 HD12 LEU 49 2HD1 LEU 49 -7.054 8.341 -14.091 417 HD13 LEU 49 3HD1 LEU 49 -6.031 7.104 -14.822 418 HD21 LEU 49 3HD2 LEU 49 -6.278 4.963 -12.616 419 HD22 LEU 49 1HD2 LEU 49 -6.379 4.756 -14.365 420 HD23 LEU 49 2HD2 LEU 49 -7.701 4.207 -13.333 421 H GLN 50 H GLN 50 -8.074 8.803 -10.028 422 HA GLN 50 HA GLN 50 -5.627 10.012 -10.906 423 HB2 GLN 50 2HB GLN 50 -7.873 11.180 -10.661 424 HB3 GLN 50 1HB GLN 50 -7.581 11.178 -8.927 425 HG2 GLN 50 2HG GLN 50 -5.528 12.462 -9.274 426 HG3 GLN 50 1HG GLN 50 -5.834 12.475 -11.008 427 HE21 GLN 50 1HE2 GLN 50 -5.971 14.675 -11.169 428 HE22 GLN 50 2HE2 GLN 50 -7.278 15.593 -10.499 429 H GLN 51 H GLN 51 -6.747 8.503 -7.978 430 HA GLN 51 HA GLN 51 -4.712 9.621 -6.309 431 HB2 GLN 51 2HB GLN 51 -6.720 7.423 -5.962 432 HB3 GLN 51 1HB GLN 51 -5.473 7.718 -4.759 433 HG2 GLN 51 2HG GLN 51 -6.263 10.002 -4.472 434 HG3 GLN 51 1HG GLN 51 -7.495 9.735 -5.704 435 HE21 GLN 51 1HE2 GLN 51 -7.733 10.448 -2.865 436 HE22 GLN 51 2HE2 GLN 51 -8.728 9.229 -2.151 437 H MET 52 H MET 52 -5.102 6.528 -8.031 438 HA MET 52 HA MET 52 -2.807 5.318 -6.931 439 HB2 MET 52 2HB MET 52 -2.886 3.758 -8.812 440 HB3 MET 52 1HB MET 52 -4.467 3.990 -8.084 441 HG2 MET 52 2HG MET 52 -5.066 5.509 -9.910 442 HG3 MET 52 1HG MET 52 -3.491 5.221 -10.647 443 HE1 MET 52 3HE MET 52 -5.726 2.585 -8.752 444 HE2 MET 52 1HE MET 52 -6.676 1.924 -10.083 445 HE3 MET 52 2HE MET 52 -6.910 3.598 -9.580 446 H GLN 53 H GLN 53 -3.156 7.477 -9.720 447 HA GLN 53 HA GLN 53 -0.396 7.235 -10.461 448 HB2 GLN 53 2HB GLN 53 -0.774 9.141 -11.930 449 HB3 GLN 53 1HB GLN 53 -2.085 7.983 -12.098 450 HG2 GLN 53 2HG GLN 53 -3.557 9.355 -10.821 451 HG3 GLN 53 1HG GLN 53 -2.243 10.441 -10.378 452 HE21 GLN 53 1HE2 GLN 53 -2.622 9.114 -13.582 453 HE22 GLN 53 2HE2 GLN 53 -3.041 10.601 -14.363 454 H GLU 54 H GLU 54 -2.257 9.283 -8.323 455 HA GLU 54 HA GLU 54 -0.297 11.252 -7.825 456 HB2 GLU 54 2HB GLU 54 -2.623 11.633 -7.244 457 HB3 GLU 54 1HB GLU 54 -2.604 10.272 -6.135 458 HG2 GLU 54 2HG GLU 54 -1.017 11.458 -4.705 459 HG3 GLU 54 1HG GLU 54 -1.037 12.821 -5.822 460 H LEU 55 H LEU 55 -1.239 8.361 -5.957 461 HA LEU 55 HA LEU 55 0.688 8.594 -3.967 462 HB2 LEU 55 2HB LEU 55 -1.111 6.498 -5.002 463 HB3 LEU 55 1HB LEU 55 0.265 5.934 -4.094 464 HG LEU 55 HG LEU 55 -1.669 6.134 -2.645 465 HD11 LEU 55 1HD1 LEU 55 0.498 6.575 -1.654 466 HD12 LEU 55 2HD1 LEU 55 -0.739 7.595 -0.918 467 HD13 LEU 55 3HD1 LEU 55 0.376 8.276 -2.101 468 HD21 LEU 55 3HD2 LEU 55 -2.884 7.833 -3.891 469 HD22 LEU 55 1HD2 LEU 55 -1.685 9.042 -3.433 470 HD23 LEU 55 2HD2 LEU 55 -2.706 8.301 -2.198 471 H SER 56 H SER 56 0.793 7.053 -7.117 472 HA SER 56 HA SER 56 3.258 5.798 -6.961 473 HB2 SER 56 2HB SER 56 1.758 5.503 -8.869 474 HB3 SER 56 1HB SER 56 1.956 7.196 -9.313 475 HG SER 56 HG SER 56 4.349 5.928 -9.103 476 H ASN 57 H ASN 57 2.517 9.177 -7.727 477 HA ASN 57 HA ASN 57 5.233 9.899 -8.191 478 HB2 ASN 57 2HB ASN 57 3.530 11.296 -9.136 479 HB3 ASN 57 1HB ASN 57 2.783 11.554 -7.564 480 HD21 ASN 57 1HD2 ASN 57 5.497 12.329 -9.616 481 HD22 ASN 57 2HD2 ASN 57 6.009 13.736 -8.735 482 H ILE 58 H ILE 58 3.158 9.844 -5.348 483 HA ILE 58 HA ILE 58 4.759 11.497 -3.709 484 HB ILE 58 HB ILE 58 2.831 9.334 -2.870 485 HG12 ILE 58 2HG1 ILE 58 1.981 11.033 -4.530 486 HG13 ILE 58 1HG1 ILE 58 1.105 10.951 -3.018 487 HG21 ILE 58 1HG2 ILE 58 2.566 10.675 -0.839 488 HG22 ILE 58 2HG2 ILE 58 3.785 11.805 -1.426 489 HG23 ILE 58 3HG2 ILE 58 4.235 10.145 -1.043 490 HD11 ILE 58 3HD1 ILE 58 2.280 12.951 -2.236 491 HD12 ILE 58 1HD1 ILE 58 1.416 13.252 -3.744 492 HD13 ILE 58 2HD1 ILE 58 3.164 13.015 -3.762 493 H LEU 59 H LEU 59 4.642 7.987 -4.205 494 HA LEU 59 HA LEU 59 6.762 7.658 -2.228 495 HB2 LEU 59 2HB LEU 59 5.032 5.714 -3.724 496 HB3 LEU 59 1HB LEU 59 6.465 5.179 -2.870 497 HG LEU 59 HG LEU 59 4.611 4.774 -1.445 498 HD11 LEU 59 1HD1 LEU 59 5.107 6.175 0.499 499 HD12 LEU 59 2HD1 LEU 59 6.010 7.278 -0.537 500 HD13 LEU 59 3HD1 LEU 59 6.572 5.624 -0.314 501 HD21 LEU 59 3HD2 LEU 59 2.980 6.242 -2.489 502 HD22 LEU 59 1HD2 LEU 59 3.818 7.653 -1.848 503 HD23 LEU 59 2HD2 LEU 59 3.039 6.515 -0.746 504 H ASN 60 H ASN 60 6.675 8.582 -5.283 505 HA ASN 60 HA ASN 60 8.006 8.497 -7.123 506 HB2 ASN 60 2HB ASN 60 9.592 9.257 -5.238 507 HB3 ASN 60 1HB ASN 60 10.238 7.621 -5.293 508 HD21 ASN 60 1HD2 ASN 60 11.533 10.161 -5.882 509 HD22 ASN 60 2HD2 ASN 60 12.132 10.019 -7.505 510 H LEU 61 H LEU 61 6.511 6.229 -6.636 511 HA LEU 61 HA LEU 61 8.250 4.031 -7.547 512 HB2 LEU 61 2HB LEU 61 5.470 3.952 -6.356 513 HB3 LEU 61 1HB LEU 61 6.355 2.553 -6.933 514 HG LEU 61 HG LEU 61 7.165 4.304 -4.611 515 HD11 LEU 61 1HD1 LEU 61 6.022 1.518 -4.701 516 HD12 LEU 61 2HD1 LEU 61 5.216 2.965 -4.095 517 HD13 LEU 61 3HD1 LEU 61 6.632 2.327 -3.259 518 HD21 LEU 61 3HD2 LEU 61 8.873 2.611 -4.201 519 HD22 LEU 61 1HD2 LEU 61 9.092 3.365 -5.777 520 HD23 LEU 61 2HD2 LEU 61 8.383 1.754 -5.661 521 H SER 62 H SER 62 6.831 2.481 -8.987 522 HA SER 62 HA SER 62 6.025 4.126 -11.237 523 HB2 SER 62 2HB SER 62 7.498 2.284 -11.721 524 HB3 SER 62 1HB SER 62 6.430 1.150 -10.898 525 HG SER 62 HG SER 62 5.742 2.643 -13.227 526 H TYR 63 H TYR 63 4.017 4.070 -12.207 527 HA TYR 63 HA TYR 63 1.715 3.731 -10.654 528 HB2 TYR 63 2HB TYR 63 1.519 5.143 -12.540 529 HB3 TYR 63 1HB TYR 63 2.206 3.944 -13.627 530 HD1 TYR 63 2HD TYR 63 -0.820 4.744 -11.615 531 HD2 TYR 63 1HD TYR 63 0.827 2.453 -14.802 532 HE1 TYR 63 2HE TYR 63 -3.076 4.000 -12.244 533 HE2 TYR 63 1HE TYR 63 -1.425 1.704 -15.435 534 HH TYR 63 HH TYR 63 -4.258 3.124 -14.175 535 H LYS 64 H LYS 64 3.499 1.554 -12.719 536 HA LYS 64 HA LYS 64 1.599 -0.518 -12.885 537 HB2 LYS 64 2HB LYS 64 4.592 -0.413 -13.146 538 HB3 LYS 64 1HB LYS 64 3.749 -1.948 -13.179 539 HG2 LYS 64 2HG LYS 64 4.040 -1.375 -15.422 540 HG3 LYS 64 1HG LYS 64 2.362 -0.961 -15.077 541 HD2 LYS 64 2HD LYS 64 2.988 1.377 -14.799 542 HD3 LYS 64 1HD LYS 64 4.680 0.967 -15.097 543 HE2 LYS 64 2HE LYS 64 4.016 0.111 -17.339 544 HE3 LYS 64 1HE LYS 64 2.381 0.695 -17.031 545 HZ1 LYS 64 3HZ LYS 64 3.293 2.943 -16.800 546 HZ2 LYS 64 1HZ LYS 64 3.601 2.283 -18.331 547 HZ3 LYS 64 2HZ LYS 64 4.840 2.354 -17.179 548 H GLN 65 H GLN 65 4.012 0.379 -10.521 549 HA GLN 65 HA GLN 65 3.774 -1.986 -8.950 550 HB2 GLN 65 2HB GLN 65 4.855 0.757 -8.284 551 HB3 GLN 65 1HB GLN 65 4.982 -0.639 -7.227 552 HG2 GLN 65 2HG GLN 65 6.296 -1.808 -8.930 553 HG3 GLN 65 1HG GLN 65 6.179 -0.396 -9.978 554 HE21 GLN 65 1HE2 GLN 65 7.592 -1.725 -7.096 555 HE22 GLN 65 2HE2 GLN 65 8.813 -0.505 -6.895 556 H VAL 66 H VAL 66 2.348 1.263 -8.819 557 HA VAL 66 HA VAL 66 1.055 0.757 -6.308 558 HB VAL 66 HB VAL 66 0.522 2.975 -8.303 559 HG11 VAL 66 1HG1 VAL 66 -0.543 4.142 -6.457 560 HG12 VAL 66 2HG1 VAL 66 -0.270 2.756 -5.400 561 HG13 VAL 66 3HG1 VAL 66 -1.365 2.614 -6.776 562 HG21 VAL 66 3HG2 VAL 66 2.236 2.903 -5.823 563 HG22 VAL 66 1HG2 VAL 66 1.892 4.337 -6.791 564 HG23 VAL 66 2HG2 VAL 66 2.809 3.002 -7.488 565 H LYS 67 H LYS 67 0.049 0.595 -9.686 566 HA LYS 67 HA LYS 67 -2.704 0.184 -9.126 567 HB2 LYS 67 2HB LYS 67 -1.719 0.991 -11.309 568 HB3 LYS 67 1HB LYS 67 -1.214 -0.663 -11.612 569 HG2 LYS 67 2HG LYS 67 -4.086 0.020 -11.088 570 HG3 LYS 67 1HG LYS 67 -3.380 0.178 -12.694 571 HD2 LYS 67 2HD LYS 67 -2.712 -2.220 -12.566 572 HD3 LYS 67 1HD LYS 67 -3.581 -2.335 -11.033 573 HE2 LYS 67 2HE LYS 67 -5.657 -1.725 -12.148 574 HE3 LYS 67 1HE LYS 67 -4.800 -1.542 -13.677 575 HZ1 LYS 67 3HZ LYS 67 -4.155 -3.945 -13.406 576 HZ2 LYS 67 1HZ LYS 67 -5.793 -3.651 -13.731 577 HZ3 LYS 67 2HZ LYS 67 -5.304 -4.034 -12.160 578 H THR 68 H THR 68 -0.016 -2.004 -9.809 579 HA THR 68 HA THR 68 -1.577 -4.362 -9.870 580 HB THR 68 HB THR 68 1.378 -4.106 -9.289 581 HG1 THR 68 1HG THR 68 1.225 -3.335 -11.293 582 HG21 THR 68 3HG2 THR 68 -0.242 -6.451 -10.288 583 HG22 THR 68 1HG2 THR 68 0.477 -6.301 -8.685 584 HG23 THR 68 2HG2 THR 68 1.512 -6.412 -10.109 585 H TRP 69 H TRP 69 0.155 -2.698 -7.266 586 HA TRP 69 HA TRP 69 -0.120 -4.688 -5.306 587 HB2 TRP 69 2HB TRP 69 1.297 -2.652 -5.055 588 HB3 TRP 69 1HB TRP 69 -0.166 -1.688 -4.879 589 HD1 TRP 69 HD TRP 69 1.542 -4.678 -3.094 590 HE1 TRP 69 1HE TRP 69 1.048 -4.490 -0.576 591 HE3 TRP 69 3HE TRP 69 -1.495 -0.568 -3.175 592 HZ2 TRP 69 2HZ TRP 69 -0.435 -2.818 1.150 593 HZ3 TRP 69 3HZ TRP 69 -2.410 0.259 -1.044 594 HH2 TRP 69 HH TRP 69 -1.891 -0.843 1.070 595 H PHE 70 H PHE 70 -2.171 -1.870 -6.003 596 HA PHE 70 HA PHE 70 -4.271 -2.429 -4.271 597 HB2 PHE 70 2HB PHE 70 -4.254 -0.315 -5.331 598 HB3 PHE 70 1HB PHE 70 -4.136 -1.028 -6.935 599 HD1 PHE 70 2HD PHE 70 -6.425 -0.553 -4.053 600 HD2 PHE 70 1HD PHE 70 -6.050 -1.502 -8.188 601 HE1 PHE 70 2HE PHE 70 -8.867 -0.389 -4.314 602 HE2 PHE 70 1HE PHE 70 -8.489 -1.350 -8.450 603 HZ PHE 70 HZ PHE 70 -9.900 -0.793 -6.515 604 H GLN 71 H GLN 71 -3.719 -3.522 -7.581 605 HA GLN 71 HA GLN 71 -6.142 -4.812 -8.046 606 HB2 GLN 71 2HB GLN 71 -4.395 -4.315 -9.753 607 HB3 GLN 71 1HB GLN 71 -3.418 -5.615 -9.089 608 HG2 GLN 71 2HG GLN 71 -4.561 -6.363 -11.063 609 HG3 GLN 71 1HG GLN 71 -5.191 -7.211 -9.650 610 HE21 GLN 71 1HE2 GLN 71 -7.256 -6.700 -8.888 611 HE22 GLN 71 2HE2 GLN 71 -8.415 -5.875 -9.871 612 H ASN 72 H ASN 72 -3.140 -6.101 -6.707 613 HA ASN 72 HA ASN 72 -4.121 -8.766 -6.503 614 HB2 ASN 72 2HB ASN 72 -1.627 -7.415 -5.484 615 HB3 ASN 72 1HB ASN 72 -1.994 -9.099 -5.126 616 HD21 ASN 72 1HD2 ASN 72 -0.223 -9.867 -6.251 617 HD22 ASN 72 2HD2 ASN 72 -0.138 -9.843 -7.978 618 H GLN 73 H GLN 73 -3.759 -6.052 -4.276 619 HA GLN 73 HA GLN 73 -4.361 -7.449 -1.916 620 HB2 GLN 73 2HB GLN 73 -4.827 -4.563 -2.670 621 HB3 GLN 73 1HB GLN 73 -5.133 -5.199 -1.060 622 HG2 GLN 73 2HG GLN 73 -2.478 -5.173 -2.480 623 HG3 GLN 73 1HG GLN 73 -2.974 -4.090 -1.179 624 HE21 GLN 73 1HE2 GLN 73 -3.097 -4.879 0.921 625 HE22 GLN 73 2HE2 GLN 73 -2.357 -6.369 1.389 626 H ARG 74 H ARG 74 -6.477 -5.887 -4.306 627 HA ARG 74 HA ARG 74 -8.881 -6.495 -2.926 628 HB2 ARG 74 2HB ARG 74 -8.764 -4.815 -4.763 629 HB3 ARG 74 1HB ARG 74 -8.536 -6.131 -5.913 630 HG2 ARG 74 2HG ARG 74 -10.712 -7.079 -5.131 631 HG3 ARG 74 1HG ARG 74 -10.946 -5.611 -4.186 632 HD2 ARG 74 2HD ARG 74 -10.797 -4.296 -6.278 633 HD3 ARG 74 1HD ARG 74 -10.679 -5.807 -7.183 634 HE ARG 74 HE ARG 74 -13.004 -5.322 -5.454 635 HH11 ARG 74 1HH1 ARG 74 -11.675 -5.856 -8.652 636 HH12 ARG 74 2HH1 ARG 74 -13.232 -6.069 -9.393 637 HH21 ARG 74 1HH2 ARG 74 -15.045 -5.641 -6.425 638 HH22 ARG 74 2HH2 ARG 74 -15.140 -5.993 -8.126 639 H MET 75 H MET 75 -6.940 -8.241 -5.336 640 HA MET 75 HA MET 75 -8.876 -10.290 -5.748 641 HB2 MET 75 2HB MET 75 -5.905 -10.221 -6.253 642 HB3 MET 75 1HB MET 75 -6.907 -11.613 -6.646 643 HG2 MET 75 2HG MET 75 -8.316 -10.063 -8.036 644 HG3 MET 75 1HG MET 75 -7.076 -8.840 -7.784 645 HE1 MET 75 3HE MET 75 -4.564 -9.079 -8.668 646 HE2 MET 75 1HE MET 75 -3.968 -10.501 -9.525 647 HE3 MET 75 2HE MET 75 -4.420 -10.621 -7.823 648 H LYS 76 H LYS 76 -6.230 -9.918 -3.457 649 HA LYS 76 HA LYS 76 -6.421 -12.498 -2.299 650 HB2 LYS 76 2HB LYS 76 -5.414 -9.856 -1.256 651 HB3 LYS 76 1HB LYS 76 -5.393 -11.314 -0.276 652 HG2 LYS 76 2HG LYS 76 -4.058 -11.129 -2.961 653 HG3 LYS 76 1HG LYS 76 -3.246 -10.730 -1.447 654 HD2 LYS 76 2HD LYS 76 -3.787 -13.019 -0.628 655 HD3 LYS 76 1HD LYS 76 -4.428 -13.395 -2.228 656 HE2 LYS 76 2HE LYS 76 -2.269 -13.014 -3.232 657 HE3 LYS 76 1HE LYS 76 -1.608 -12.470 -1.691 658 HZ1 LYS 76 3HZ LYS 76 -2.591 -15.215 -2.283 659 HZ2 LYS 76 1HZ LYS 76 -1.957 -14.690 -0.796 660 HZ3 LYS 76 2HZ LYS 76 -0.966 -14.742 -2.176 661 H SER 77 H SER 77 -8.167 -9.504 -1.806 662 HA SER 77 HA SER 77 -9.381 -10.328 0.653 663 HB2 SER 77 2HB SER 77 -10.126 -8.044 -1.189 664 HB3 SER 77 1HB SER 77 -10.668 -8.253 0.475 665 HG SER 77 HG SER 77 -7.991 -7.848 -0.406 666 H LYS 78 H LYS 78 -10.358 -10.279 -2.741 667 HA LYS 78 HA LYS 78 -13.082 -10.972 -2.145 668 HB2 LYS 78 2HB LYS 78 -13.389 -11.145 -4.557 669 HB3 LYS 78 1HB LYS 78 -12.513 -9.674 -4.161 670 HG2 LYS 78 2HG LYS 78 -10.620 -10.355 -5.200 671 HG3 LYS 78 1HG LYS 78 -10.874 -12.051 -4.787 672 HD2 LYS 78 2HD LYS 78 -12.342 -10.508 -6.929 673 HD3 LYS 78 1HD LYS 78 -11.051 -11.681 -7.198 674 HE2 LYS 78 2HE LYS 78 -12.534 -13.356 -5.978 675 HE3 LYS 78 1HE LYS 78 -13.829 -12.172 -6.144 676 HZ1 LYS 78 3HZ LYS 78 -12.389 -13.629 -8.281 677 HZ2 LYS 78 1HZ LYS 78 -13.293 -12.231 -8.614 678 HZ3 LYS 78 2HZ LYS 78 -14.052 -13.602 -7.970 679 H ARG 79 H ARG 79 -10.156 -12.726 -2.871 680 HA ARG 79 HA ARG 79 -11.742 -15.174 -3.260 681 HB2 ARG 79 2HB ARG 79 -9.699 -14.045 -4.832 682 HB3 ARG 79 1HB ARG 79 -8.997 -15.469 -4.074 683 HG2 ARG 79 2HG ARG 79 -11.567 -15.445 -5.643 684 HG3 ARG 79 1HG ARG 79 -9.994 -15.940 -6.274 685 HD2 ARG 79 2HD ARG 79 -9.883 -17.781 -4.762 686 HD3 ARG 79 1HD ARG 79 -11.287 -17.204 -3.869 687 HE ARG 79 HE ARG 79 -12.335 -17.587 -6.302 688 HH11 ARG 79 1HH1 ARG 79 -10.218 -19.603 -4.365 689 HH12 ARG 79 2HH1 ARG 79 -10.933 -21.093 -4.911 690 HH21 ARG 79 1HH2 ARG 79 -13.258 -19.552 -7.040 691 HH22 ARG 79 2HH2 ARG 79 -12.649 -21.070 -6.443 692 H TRP 80 H TRP 80 -10.807 -13.980 -0.676 693 HA TRP 80 HA TRP 80 -8.840 -15.847 0.287 694 HB2 TRP 80 2HB TRP 80 -9.149 -13.566 1.277 695 HB3 TRP 80 1HB TRP 80 -10.714 -14.088 1.893 696 HD1 TRP 80 HD TRP 80 -6.985 -15.106 2.228 697 HE1 TRP 80 1HE TRP 80 -6.604 -15.968 4.623 698 HE3 TRP 80 3HE TRP 80 -11.794 -14.818 3.973 699 HZ2 TRP 80 2HZ TRP 80 -8.135 -16.449 6.937 700 HZ3 TRP 80 3HZ TRP 80 -12.240 -15.500 6.296 701 HH2 TRP 80 HH TRP 80 -10.445 -16.298 7.741 702 H GLN 81 H GLN 81 -9.578 -17.854 -0.098 703 HA GLN 81 HA GLN 81 -11.511 -18.999 1.694 704 HB2 GLN 81 2HB GLN 81 -12.051 -18.929 -1.293 705 HB3 GLN 81 1HB GLN 81 -12.811 -20.081 -0.208 706 HG2 GLN 81 2HG GLN 81 -13.919 -18.298 0.978 707 HG3 GLN 81 1HG GLN 81 -13.067 -17.089 0.020 708 HE21 GLN 81 1HE2 GLN 81 -14.357 -20.060 -1.308 709 HE22 GLN 81 2HE2 GLN 81 -15.601 -19.312 -2.255 710 H LYS 82 H LYS 82 -11.531 -21.443 1.349 711 HA LYS 82 HA LYS 82 -9.083 -22.271 -0.055 712 HB2 LYS 82 2HB LYS 82 -10.016 -23.011 2.671 713 HB3 LYS 82 1HB LYS 82 -9.180 -24.230 1.717 714 HG2 LYS 82 2HG LYS 82 -7.376 -22.457 1.364 715 HG3 LYS 82 1HG LYS 82 -8.154 -21.589 2.687 716 HD2 LYS 82 2HD LYS 82 -7.710 -23.327 4.220 717 HD3 LYS 82 1HD LYS 82 -7.296 -24.460 2.932 718 HE2 LYS 82 2HE LYS 82 -5.353 -22.999 2.375 719 HE3 LYS 82 1HE LYS 82 -5.730 -22.038 3.804 720 HZ1 LYS 82 3HZ LYS 82 -3.990 -23.759 4.137 721 HZ2 LYS 82 1HZ LYS 82 -5.166 -24.951 3.879 722 HZ3 LYS 82 2HZ LYS 82 -5.304 -23.898 5.199 723 H ASN 83 H ASN 83 -10.775 -22.406 -1.754 724 HA ASN 83 HA ASN 83 -11.037 -25.134 -2.380 725 HB2 ASN 83 2HB ASN 83 -13.028 -24.897 -0.851 726 HB3 ASN 83 1HB ASN 83 -13.695 -23.735 -1.992 727 HD21 ASN 83 1HD2 ASN 83 -14.536 -24.449 -3.932 728 HD22 ASN 83 2HD2 ASN 83 -14.771 -26.130 -4.291 729 H ASN 84 H ASN 84 -11.120 -25.351 -4.567 730 HA ASN 84 HA ASN 84 -10.866 -22.917 -6.077 731 HB2 ASN 84 2HB ASN 84 -10.819 -25.799 -6.996 732 HB3 ASN 84 1HB ASN 84 -10.405 -24.409 -7.993 733 HD21 ASN 84 1HD2 ASN 84 -8.784 -26.670 -7.361 734 HD22 ASN 84 2HD2 ASN 84 -7.381 -26.078 -6.531 Start of MODEL 19 1 H1 SER 1 H1 SER 1 -8.186 13.911 -4.105 2 H2 SER 1 H2 SER 1 -7.878 14.710 -5.569 3 H3 SER 1 H3 SER 1 -7.657 15.522 -4.094 4 HA SER 1 HA SER 1 -5.890 13.989 -3.507 5 HB2 SER 1 2HB SER 1 -6.302 12.952 -6.326 6 HB3 SER 1 1HB SER 1 -5.048 12.428 -5.202 7 HG SER 1 HG SER 1 -7.847 12.007 -5.075 8 H LYS 2 H LYS 2 -4.712 15.819 -3.338 9 HA LYS 2 HA LYS 2 -3.196 16.654 -5.665 10 HB2 LYS 2 2HB LYS 2 -5.215 18.401 -4.337 11 HB3 LYS 2 1HB LYS 2 -3.711 19.130 -4.882 12 HG2 LYS 2 2HG LYS 2 -4.146 18.344 -7.149 13 HG3 LYS 2 1HG LYS 2 -5.653 17.601 -6.604 14 HD2 LYS 2 2HD LYS 2 -6.576 19.741 -6.048 15 HD3 LYS 2 1HD LYS 2 -5.031 20.540 -6.342 16 HE2 LYS 2 2HE LYS 2 -6.654 19.096 -8.434 17 HE3 LYS 2 1HE LYS 2 -6.665 20.841 -8.179 18 HZ1 LYS 2 3HZ LYS 2 -4.272 20.858 -8.652 19 HZ2 LYS 2 1HZ LYS 2 -5.179 20.283 -9.966 20 HZ3 LYS 2 2HZ LYS 2 -4.324 19.197 -8.985 21 H GLN 3 H GLN 3 -3.890 18.055 -2.476 22 HA GLN 3 HA GLN 3 -1.002 17.917 -1.892 23 HB2 GLN 3 2HB GLN 3 -3.020 20.078 -1.345 24 HB3 GLN 3 1HB GLN 3 -1.539 19.958 -0.407 25 HG2 GLN 3 2HG GLN 3 -1.446 20.057 -3.392 26 HG3 GLN 3 1HG GLN 3 -1.621 21.532 -2.441 27 HE21 GLN 3 1HE2 GLN 3 0.047 22.190 -1.104 28 HE22 GLN 3 2HE2 GLN 3 1.663 21.578 -1.264 29 HA PRO 4 HA PRO 4 -3.104 15.588 1.498 30 HB2 PRO 4 2HB PRO 4 -0.838 13.771 1.282 31 HB3 PRO 4 1HB PRO 4 -2.557 13.426 1.084 32 HG2 PRO 4 2HG PRO 4 -0.803 13.369 -0.981 33 HG3 PRO 4 1HG PRO 4 -2.508 13.811 -1.180 34 HD2 PRO 4 2HD PRO 4 -0.100 15.587 -0.994 35 HD3 PRO 4 1HD PRO 4 -1.506 15.704 -2.076 36 H THR 5 H THR 5 0.350 16.158 0.972 37 HA THR 5 HA THR 5 0.730 16.452 3.851 38 HB THR 5 HB THR 5 2.874 16.419 1.724 39 HG1 THR 5 1HG THR 5 2.421 14.154 3.276 40 HG21 THR 5 3HG2 THR 5 2.941 15.873 4.697 41 HG22 THR 5 1HG2 THR 5 3.576 17.307 3.890 42 HG23 THR 5 2HG2 THR 5 4.312 15.731 3.599 43 H SER 6 H SER 6 -0.202 18.488 4.118 44 HA SER 6 HA SER 6 1.608 20.658 3.340 45 HB2 SER 6 2HB SER 6 -0.362 20.745 1.827 46 HB3 SER 6 1HB SER 6 -1.419 20.855 3.235 47 HG SER 6 HG SER 6 0.065 22.760 3.737 48 H ALA 7 H ALA 7 0.837 18.918 5.727 49 HA ALA 7 HA ALA 7 0.638 21.103 7.659 50 HB1 ALA 7 1HB ALA 7 -0.954 19.806 9.021 51 HB2 ALA 7 2HB ALA 7 -1.058 18.604 7.734 52 HB3 ALA 7 3HB ALA 7 -1.628 20.250 7.454 53 H GLU 8 H GLU 8 1.683 20.692 9.607 54 HA GLU 8 HA GLU 8 3.655 18.549 9.410 55 HB2 GLU 8 2HB GLU 8 3.538 21.044 11.101 56 HB3 GLU 8 1HB GLU 8 4.782 19.814 11.275 57 HG2 GLU 8 2HG GLU 8 4.234 21.371 8.760 58 HG3 GLU 8 1HG GLU 8 5.509 21.730 9.924 59 H ASN 9 H ASN 9 2.683 16.750 10.147 60 HA ASN 9 HA ASN 9 1.247 16.802 12.675 61 HB2 ASN 9 2HB ASN 9 1.583 14.769 10.498 62 HB3 ASN 9 1HB ASN 9 1.059 14.257 12.097 63 HD21 ASN 9 1HD2 ASN 9 -0.941 14.884 12.863 64 HD22 ASN 9 2HD2 ASN 9 -2.163 15.544 11.823 65 H SER 10 H SER 10 2.309 16.600 14.489 66 HA SER 10 HA SER 10 4.864 15.196 14.561 67 HB2 SER 10 2HB SER 10 3.393 16.778 16.683 68 HB3 SER 10 1HB SER 10 4.998 16.071 16.877 69 HG SER 10 HG SER 10 4.751 17.611 14.624 70 H VAL 11 H VAL 11 5.167 13.873 16.686 71 HA VAL 11 HA VAL 11 4.769 11.903 17.726 72 HB VAL 11 HB VAL 11 1.834 12.637 17.650 73 HG11 VAL 11 1HG1 VAL 11 2.317 10.323 18.313 74 HG12 VAL 11 2HG1 VAL 11 1.672 11.265 19.656 75 HG13 VAL 11 3HG1 VAL 11 3.398 10.915 19.576 76 HG21 VAL 11 3HG2 VAL 11 3.923 13.413 19.684 77 HG22 VAL 11 1HG2 VAL 11 2.188 13.684 19.841 78 HG23 VAL 11 2HG2 VAL 11 3.096 14.500 18.567 79 H ALA 12 H ALA 12 5.449 11.056 15.621 80 HA ALA 12 HA ALA 12 3.444 10.025 13.843 81 HB1 ALA 12 1HB ALA 12 6.415 9.503 13.929 82 HB2 ALA 12 2HB ALA 12 5.613 10.760 12.987 83 HB3 ALA 12 3HB ALA 12 5.320 9.060 12.618 84 H LYS 13 H LYS 13 2.177 8.578 14.897 85 HA LYS 13 HA LYS 13 3.190 6.529 16.581 86 HB2 LYS 13 2HB LYS 13 0.854 7.373 16.694 87 HB3 LYS 13 1HB LYS 13 0.536 6.626 15.134 88 HG2 LYS 13 2HG LYS 13 0.987 4.427 16.077 89 HG3 LYS 13 1HG LYS 13 1.346 5.162 17.640 90 HD2 LYS 13 2HD LYS 13 -0.966 6.055 17.698 91 HD3 LYS 13 1HD LYS 13 -1.302 5.196 16.192 92 HE2 LYS 13 2HE LYS 13 -2.088 3.946 18.146 93 HE3 LYS 13 1HE LYS 13 -0.827 3.072 17.276 94 HZ1 LYS 13 3HZ LYS 13 0.772 3.714 18.910 95 HZ2 LYS 13 1HZ LYS 13 -0.559 3.050 19.724 96 HZ3 LYS 13 2HZ LYS 13 -0.339 4.732 19.691 97 H LYS 14 H LYS 14 4.251 4.791 16.000 98 HA LYS 14 HA LYS 14 4.482 4.063 13.221 99 HB2 LYS 14 2HB LYS 14 6.105 2.418 14.019 100 HB3 LYS 14 1HB LYS 14 6.423 3.991 14.738 101 HG2 LYS 14 2HG LYS 14 5.080 3.160 16.742 102 HG3 LYS 14 1HG LYS 14 5.231 1.556 16.026 103 HD2 LYS 14 2HD LYS 14 6.979 1.884 17.663 104 HD3 LYS 14 1HD LYS 14 7.692 1.816 16.048 105 HE2 LYS 14 2HE LYS 14 7.917 4.203 15.986 106 HE3 LYS 14 1HE LYS 14 7.018 4.374 17.492 107 HZ1 LYS 14 3HZ LYS 14 9.628 2.982 17.239 108 HZ2 LYS 14 1HZ LYS 14 8.780 3.293 18.676 109 HZ3 LYS 14 2HZ LYS 14 9.435 4.577 17.779 110 H GLU 15 H GLU 15 3.926 2.027 12.335 111 HA GLU 15 HA GLU 15 1.467 0.950 13.240 112 HB2 GLU 15 2HB GLU 15 3.456 -0.163 11.259 113 HB3 GLU 15 1HB GLU 15 1.815 -0.748 11.485 114 HG2 GLU 15 2HG GLU 15 0.908 1.330 10.696 115 HG3 GLU 15 1HG GLU 15 2.522 2.044 10.608 116 H ASP 16 H ASP 16 1.143 -0.479 14.798 117 HA ASP 16 HA ASP 16 3.400 -1.845 15.982 118 HB2 ASP 16 2HB ASP 16 0.497 -1.615 16.761 119 HB3 ASP 16 1HB ASP 16 1.616 -2.676 17.609 120 H LYS 17 H LYS 17 2.120 -2.583 13.284 121 HA LYS 17 HA LYS 17 1.194 -5.261 13.735 122 HB2 LYS 17 2HB LYS 17 1.156 -5.513 11.321 123 HB3 LYS 17 1HB LYS 17 0.408 -3.993 11.776 124 HG2 LYS 17 2HG LYS 17 2.374 -2.774 11.069 125 HG3 LYS 17 1HG LYS 17 3.213 -4.286 10.710 126 HD2 LYS 17 2HD LYS 17 1.284 -4.779 9.113 127 HD3 LYS 17 1HD LYS 17 0.832 -3.087 9.311 128 HE2 LYS 17 2HE LYS 17 3.512 -4.072 8.340 129 HE3 LYS 17 1HE LYS 17 2.213 -3.486 7.304 130 HZ1 LYS 17 3HZ LYS 17 3.641 -1.904 9.370 131 HZ2 LYS 17 1HZ LYS 17 2.365 -1.330 8.413 132 HZ3 LYS 17 2HZ LYS 17 3.839 -1.765 7.700 133 H VAL 18 H VAL 18 2.517 -6.715 14.489 134 HA VAL 18 HA VAL 18 5.253 -6.840 13.457 135 HB VAL 18 HB VAL 18 5.394 -5.733 15.587 136 HG11 VAL 18 1HG1 VAL 18 4.651 -6.755 17.679 137 HG12 VAL 18 2HG1 VAL 18 3.922 -8.081 16.772 138 HG13 VAL 18 3HG1 VAL 18 3.302 -6.440 16.588 139 HG21 VAL 18 3HG2 VAL 18 6.288 -8.597 15.788 140 HG22 VAL 18 1HG2 VAL 18 6.853 -7.281 16.816 141 HG23 VAL 18 2HG2 VAL 18 7.185 -7.252 15.084 142 HA PRO 19 HA PRO 19 3.217 -10.863 12.753 143 HB2 PRO 19 2HB PRO 19 4.884 -11.588 10.719 144 HB3 PRO 19 1HB PRO 19 3.461 -10.563 10.502 145 HG2 PRO 19 2HG PRO 19 6.338 -9.781 10.760 146 HG3 PRO 19 1HG PRO 19 5.099 -9.146 9.662 147 HD2 PRO 19 2HD PRO 19 5.844 -7.844 11.907 148 HD3 PRO 19 1HD PRO 19 4.186 -7.782 11.281 149 H VAL 20 H VAL 20 3.996 -11.601 14.795 150 HA VAL 20 HA VAL 20 5.159 -12.888 16.230 151 HB VAL 20 HB VAL 20 6.241 -14.180 13.739 152 HG11 VAL 20 1HG1 VAL 20 7.481 -14.844 15.711 153 HG12 VAL 20 2HG1 VAL 20 6.468 -16.183 15.167 154 HG13 VAL 20 3HG1 VAL 20 5.979 -15.215 16.558 155 HG21 VAL 20 3HG2 VAL 20 3.734 -14.783 15.293 156 HG22 VAL 20 1HG2 VAL 20 4.389 -15.788 14.000 157 HG23 VAL 20 2HG2 VAL 20 3.832 -14.153 13.649 158 H LYS 21 H LYS 21 6.270 -10.892 16.707 159 HA LYS 21 HA LYS 21 8.092 -9.679 17.241 160 HB2 LYS 21 2HB LYS 21 9.590 -12.193 16.470 161 HB3 LYS 21 1HB LYS 21 10.289 -10.820 17.330 162 HG2 LYS 21 2HG LYS 21 8.760 -11.162 19.174 163 HG3 LYS 21 1HG LYS 21 7.972 -12.478 18.310 164 HD2 LYS 21 2HD LYS 21 10.083 -13.749 18.376 165 HD3 LYS 21 1HD LYS 21 10.826 -12.432 19.292 166 HE2 LYS 21 2HE LYS 21 9.172 -12.720 21.060 167 HE3 LYS 21 1HE LYS 21 8.405 -14.015 20.147 168 HZ1 LYS 21 3HZ LYS 21 11.137 -14.036 21.312 169 HZ2 LYS 21 1HZ LYS 21 10.509 -15.260 20.312 170 HZ3 LYS 21 2HZ LYS 21 9.799 -14.951 21.818 171 H LYS 22 H LYS 22 10.545 -9.237 16.145 172 HA LYS 22 HA LYS 22 9.760 -7.660 13.948 173 HB2 LYS 22 2HB LYS 22 12.052 -6.945 13.800 174 HB3 LYS 22 1HB LYS 22 11.584 -7.047 15.488 175 HG2 LYS 22 2HG LYS 22 12.758 -9.183 15.685 176 HG3 LYS 22 1HG LYS 22 13.236 -9.070 13.988 177 HD2 LYS 22 2HD LYS 22 14.296 -6.849 14.579 178 HD3 LYS 22 1HD LYS 22 14.038 -7.278 16.269 179 HE2 LYS 22 2HE LYS 22 15.399 -9.268 15.993 180 HE3 LYS 22 1HE LYS 22 15.609 -8.907 14.281 181 HZ1 LYS 22 3HZ LYS 22 16.746 -7.505 16.613 182 HZ2 LYS 22 1HZ LYS 22 16.570 -6.701 15.128 183 HZ3 LYS 22 2HZ LYS 22 17.529 -8.092 15.229 184 H GLN 23 H GLN 23 10.852 -10.889 14.098 185 HA GLN 23 HA GLN 23 11.013 -12.518 12.525 186 HB2 GLN 23 2HB GLN 23 8.923 -11.221 11.716 187 HB3 GLN 23 1HB GLN 23 9.978 -10.569 10.472 188 HG2 GLN 23 2HG GLN 23 10.474 -12.899 9.762 189 HG3 GLN 23 1HG GLN 23 9.271 -13.459 10.924 190 HE21 GLN 23 1HE2 GLN 23 7.937 -14.335 9.374 191 HE22 GLN 23 2HE2 GLN 23 7.022 -13.371 8.273 192 H LYS 24 H LYS 24 11.859 -12.792 10.061 193 HA LYS 24 HA LYS 24 14.218 -11.076 9.738 194 HB2 LYS 24 2HB LYS 24 15.390 -13.114 8.811 195 HB3 LYS 24 1HB LYS 24 15.089 -13.128 10.541 196 HG2 LYS 24 2HG LYS 24 13.230 -14.631 10.257 197 HG3 LYS 24 1HG LYS 24 13.384 -14.542 8.502 198 HD2 LYS 24 2HD LYS 24 15.479 -15.620 10.387 199 HD3 LYS 24 1HD LYS 24 14.368 -16.599 9.428 200 HE2 LYS 24 2HE LYS 24 15.310 -15.571 7.378 201 HE3 LYS 24 1HE LYS 24 16.483 -14.718 8.380 202 HZ1 LYS 24 3HZ LYS 24 17.479 -16.688 7.496 203 HZ2 LYS 24 1HZ LYS 24 16.214 -17.661 8.076 204 HZ3 LYS 24 2HZ LYS 24 17.270 -16.902 9.165 205 H THR 25 H THR 25 13.411 -9.801 8.174 206 HA THR 25 HA THR 25 12.278 -11.063 5.788 207 HB THR 25 HB THR 25 11.783 -8.534 5.263 208 HG1 THR 25 1HG THR 25 11.561 -8.261 8.028 209 HG21 THR 25 3HG2 THR 25 9.652 -8.711 6.488 210 HG22 THR 25 1HG2 THR 25 10.301 -10.073 7.398 211 HG23 THR 25 2HG2 THR 25 10.059 -10.212 5.656 212 H ARG 26 H ARG 26 12.882 -10.056 3.675 213 HA ARG 26 HA ARG 26 15.759 -10.011 3.446 214 HB2 ARG 26 2HB ARG 26 13.590 -9.639 1.359 215 HB3 ARG 26 1HB ARG 26 15.306 -9.704 0.998 216 HG2 ARG 26 2HG ARG 26 14.450 -11.828 0.483 217 HG3 ARG 26 1HG ARG 26 15.308 -12.020 2.011 218 HD2 ARG 26 2HD ARG 26 13.316 -12.161 3.240 219 HD3 ARG 26 1HD ARG 26 12.358 -11.482 1.925 220 HE ARG 26 HE ARG 26 13.204 -13.716 0.778 221 HH11 ARG 26 1HH1 ARG 26 11.970 -13.250 4.032 222 HH12 ARG 26 2HH1 ARG 26 11.256 -14.827 4.120 223 HH21 ARG 26 1HH2 ARG 26 12.258 -15.789 0.901 224 HH22 ARG 26 2HH2 ARG 26 11.402 -16.265 2.336 225 H THR 27 H THR 27 13.191 -7.811 2.404 226 HA THR 27 HA THR 27 14.411 -5.569 3.714 227 HB THR 27 HB THR 27 13.879 -5.075 0.809 228 HG1 THR 27 1HG THR 27 15.979 -6.576 1.832 229 HG21 THR 27 3HG2 THR 27 15.576 -3.328 1.141 230 HG22 THR 27 1HG2 THR 27 15.801 -3.874 2.803 231 HG23 THR 27 2HG2 THR 27 14.257 -3.186 2.303 232 H VAL 28 H VAL 28 12.927 -3.578 3.178 233 HA VAL 28 HA VAL 28 10.184 -4.381 2.623 234 HB VAL 28 HB VAL 28 9.364 -3.218 4.704 235 HG11 VAL 28 1HG1 VAL 28 9.342 -5.645 4.536 236 HG12 VAL 28 2HG1 VAL 28 9.723 -5.138 6.182 237 HG13 VAL 28 3HG1 VAL 28 11.007 -5.716 5.117 238 HG21 VAL 28 3HG2 VAL 28 10.919 -3.064 6.607 239 HG22 VAL 28 1HG2 VAL 28 11.359 -1.978 5.290 240 HG23 VAL 28 2HG2 VAL 28 12.253 -3.479 5.533 241 H PHE 29 H PHE 29 8.751 -2.298 3.074 242 HA PHE 29 HA PHE 29 9.917 -0.131 1.550 243 HB2 PHE 29 2HB PHE 29 7.148 -0.610 2.676 244 HB3 PHE 29 1HB PHE 29 7.601 0.860 1.827 245 HD1 PHE 29 2HD PHE 29 7.066 -2.763 1.475 246 HD2 PHE 29 1HD PHE 29 7.778 0.918 -0.535 247 HE1 PHE 29 2HE PHE 29 6.511 -3.836 -0.670 248 HE2 PHE 29 1HE PHE 29 7.226 -0.146 -2.686 249 HZ PHE 29 HZ PHE 29 6.593 -2.526 -2.755 250 H SER 30 H SER 30 9.305 2.155 2.433 251 HA SER 30 HA SER 30 10.580 2.404 4.994 252 HB2 SER 30 2HB SER 30 10.870 4.059 3.132 253 HB3 SER 30 1HB SER 30 9.188 4.538 3.352 254 HG SER 30 HG SER 30 11.384 4.888 5.084 255 H SER 31 H SER 31 9.608 3.347 6.883 256 HA SER 31 HA SER 31 7.068 2.306 7.490 257 HB2 SER 31 2HB SER 31 8.578 4.519 8.902 258 HB3 SER 31 1HB SER 31 7.248 3.579 9.579 259 HG SER 31 HG SER 31 9.185 1.965 8.590 260 H THR 32 H THR 32 8.118 5.414 6.285 261 HA THR 32 HA THR 32 5.722 6.844 6.658 262 HB THR 32 HB THR 32 7.643 7.275 4.371 263 HG1 THR 32 1HG THR 32 8.223 8.756 6.572 264 HG21 THR 32 3HG2 THR 32 6.006 9.195 6.038 265 HG22 THR 32 1HG2 THR 32 5.617 8.663 4.401 266 HG23 THR 32 2HG2 THR 32 7.063 9.627 4.694 267 H GLN 33 H GLN 33 6.942 4.925 3.921 268 HA GLN 33 HA GLN 33 4.749 5.395 2.212 269 HB2 GLN 33 2HB GLN 33 6.718 3.104 2.320 270 HB3 GLN 33 1HB GLN 33 5.563 3.352 1.018 271 HG2 GLN 33 2HG GLN 33 6.620 5.340 0.321 272 HG3 GLN 33 1HG GLN 33 7.588 5.425 1.792 273 HE21 GLN 33 1HE2 GLN 33 8.403 5.391 -1.034 274 HE22 GLN 33 2HE2 GLN 33 9.493 4.057 -1.181 275 H LEU 34 H LEU 34 5.478 2.795 4.488 276 HA LEU 34 HA LEU 34 3.260 1.183 3.905 277 HB2 LEU 34 2HB LEU 34 4.900 1.440 6.418 278 HB3 LEU 34 1HB LEU 34 3.684 0.200 6.172 279 HG LEU 34 HG LEU 34 6.172 0.558 4.492 280 HD11 LEU 34 1HD1 LEU 34 6.958 -1.472 5.567 281 HD12 LEU 34 2HD1 LEU 34 5.502 -1.536 6.558 282 HD13 LEU 34 3HD1 LEU 34 6.655 -0.219 6.769 283 HD21 LEU 34 3HD2 LEU 34 4.067 -1.603 4.479 284 HD22 LEU 34 1HD2 LEU 34 5.545 -1.593 3.517 285 HD23 LEU 34 2HD2 LEU 34 4.300 -0.375 3.234 286 H CYS 35 H CYS 35 3.646 3.710 6.414 287 HA CYS 35 HA CYS 35 1.142 3.207 7.608 288 HB2 CYS 35 2HB CYS 35 1.400 5.369 8.720 289 HB3 CYS 35 1HB CYS 35 2.888 4.438 8.788 290 HG CYS 35 HG CYS 35 3.380 6.147 6.183 291 H VAL 36 H VAL 36 2.097 5.291 4.938 292 HA VAL 36 HA VAL 36 -0.386 6.643 4.692 293 HB VAL 36 HB VAL 36 1.771 6.150 2.626 294 HG11 VAL 36 1HG1 VAL 36 -0.601 8.010 2.530 295 HG12 VAL 36 2HG1 VAL 36 -0.327 6.605 1.501 296 HG13 VAL 36 3HG1 VAL 36 0.734 8.009 1.379 297 HG21 VAL 36 3HG2 VAL 36 2.402 8.466 3.085 298 HG22 VAL 36 1HG2 VAL 36 2.506 7.472 4.538 299 HG23 VAL 36 2HG2 VAL 36 1.141 8.567 4.314 300 H LEU 37 H LEU 37 0.972 3.751 3.140 301 HA LEU 37 HA LEU 37 -1.184 3.167 1.454 302 HB2 LEU 37 2HB LEU 37 0.771 1.327 2.830 303 HB3 LEU 37 1HB LEU 37 -0.380 0.787 1.624 304 HG LEU 37 HG LEU 37 1.807 2.814 1.143 305 HD11 LEU 37 1HD1 LEU 37 2.857 1.044 -0.169 306 HD12 LEU 37 2HD1 LEU 37 1.587 -0.077 0.321 307 HD13 LEU 37 3HD1 LEU 37 2.698 0.578 1.524 308 HD21 LEU 37 3HD2 LEU 37 -0.069 1.450 -0.784 309 HD22 LEU 37 1HD2 LEU 37 1.208 2.591 -1.198 310 HD23 LEU 37 2HD2 LEU 37 -0.188 3.130 -0.263 311 H ASN 38 H ASN 38 -0.577 2.316 4.814 312 HA ASN 38 HA ASN 38 -2.791 0.582 5.113 313 HB2 ASN 38 2HB ASN 38 -0.860 0.523 6.629 314 HB3 ASN 38 1HB ASN 38 -1.253 2.140 7.202 315 HD21 ASN 38 1HD2 ASN 38 -2.149 -1.213 7.253 316 HD22 ASN 38 2HD2 ASN 38 -3.252 -1.113 8.582 317 H ASP 39 H ASP 39 -2.322 3.995 6.062 318 HA ASP 39 HA ASP 39 -4.868 4.123 7.266 319 HB2 ASP 39 2HB ASP 39 -4.292 6.185 7.937 320 HB3 ASP 39 1HB ASP 39 -2.693 5.715 7.395 321 H ARG 40 H ARG 40 -3.734 5.099 4.045 322 HA ARG 40 HA ARG 40 -6.044 6.148 2.983 323 HB2 ARG 40 2HB ARG 40 -3.750 4.673 1.890 324 HB3 ARG 40 1HB ARG 40 -5.209 4.550 0.921 325 HG2 ARG 40 2HG ARG 40 -4.069 6.360 0.021 326 HG3 ARG 40 1HG ARG 40 -5.299 7.095 1.048 327 HD2 ARG 40 2HD ARG 40 -2.540 6.556 2.073 328 HD3 ARG 40 1HD ARG 40 -2.892 7.996 1.144 329 HE ARG 40 HE ARG 40 -3.732 7.394 3.854 330 HH11 ARG 40 1HH1 ARG 40 -4.042 9.516 1.079 331 HH12 ARG 40 2HH1 ARG 40 -4.683 10.837 2.000 332 HH21 ARG 40 1HH2 ARG 40 -4.563 9.105 5.071 333 HH22 ARG 40 2HH2 ARG 40 -4.977 10.605 4.288 334 H PHE 41 H PHE 41 -5.174 2.692 3.096 335 HA PHE 41 HA PHE 41 -7.664 1.834 2.002 336 HB2 PHE 41 2HB PHE 41 -5.358 0.403 3.294 337 HB3 PHE 41 1HB PHE 41 -6.837 -0.454 2.855 338 HD1 PHE 41 1HD PHE 41 -7.666 0.667 0.408 339 HD2 PHE 41 2HD PHE 41 -3.703 -0.100 1.746 340 HE1 PHE 41 1HE PHE 41 -6.916 0.537 -1.908 341 HE2 PHE 41 2HE PHE 41 -2.941 -0.247 -0.589 342 HZ PHE 41 HZ PHE 41 -4.550 0.071 -2.427 343 H GLN 42 H GLN 42 -6.579 2.574 5.207 344 HA GLN 42 HA GLN 42 -8.772 1.222 6.505 345 HB2 GLN 42 2HB GLN 42 -6.786 3.270 7.479 346 HB3 GLN 42 1HB GLN 42 -8.055 2.605 8.498 347 HG2 GLN 42 2HG GLN 42 -5.908 0.995 7.133 348 HG3 GLN 42 1HG GLN 42 -5.891 1.499 8.824 349 HE21 GLN 42 1HE2 GLN 42 -7.289 0.534 10.277 350 HE22 GLN 42 2HE2 GLN 42 -8.119 -0.944 9.921 351 H ARG 43 H ARG 43 -8.271 4.381 5.107 352 HA ARG 43 HA ARG 43 -10.671 5.462 6.351 353 HB2 ARG 43 2HB ARG 43 -8.765 6.676 4.342 354 HB3 ARG 43 1HB ARG 43 -10.091 7.526 5.120 355 HG2 ARG 43 2HG ARG 43 -7.852 6.252 6.660 356 HG3 ARG 43 1HG ARG 43 -7.792 7.911 6.075 357 HD2 ARG 43 2HD ARG 43 -9.961 6.815 7.858 358 HD3 ARG 43 1HD ARG 43 -8.536 7.672 8.446 359 HE ARG 43 HE ARG 43 -10.036 9.131 6.472 360 HH11 ARG 43 1HH1 ARG 43 -9.679 8.438 9.890 361 HH12 ARG 43 2HH1 ARG 43 -10.510 9.878 10.388 362 HH21 ARG 43 1HH2 ARG 43 -11.084 11.044 7.132 363 HH22 ARG 43 2HH2 ARG 43 -11.294 11.358 8.835 364 H GLN 44 H GLN 44 -9.561 4.355 3.199 365 HA GLN 44 HA GLN 44 -12.341 4.492 2.244 366 HB2 GLN 44 2HB GLN 44 -10.891 6.308 1.271 367 HB3 GLN 44 1HB GLN 44 -9.901 5.054 0.543 368 HG2 GLN 44 2HG GLN 44 -11.746 4.309 -0.802 369 HG3 GLN 44 1HG GLN 44 -12.838 5.428 0.012 370 HE21 GLN 44 1HE2 GLN 44 -10.239 5.101 -2.265 371 HE22 GLN 44 2HE2 GLN 44 -10.378 6.686 -2.960 372 H LYS 45 H LYS 45 -12.827 2.908 0.561 373 HA LYS 45 HA LYS 45 -11.960 0.354 1.347 374 HB2 LYS 45 2HB LYS 45 -13.366 1.078 -1.228 375 HB3 LYS 45 1HB LYS 45 -13.329 -0.501 -0.460 376 HG2 LYS 45 2HG LYS 45 -14.658 1.974 0.616 377 HG3 LYS 45 1HG LYS 45 -15.460 0.574 -0.097 378 HD2 LYS 45 2HD LYS 45 -14.511 -0.828 1.722 379 HD3 LYS 45 1HD LYS 45 -13.860 0.638 2.460 380 HE2 LYS 45 2HE LYS 45 -16.177 1.542 2.554 381 HE3 LYS 45 1HE LYS 45 -16.761 -0.017 1.975 382 HZ1 LYS 45 3HZ LYS 45 -15.646 -1.013 3.963 383 HZ2 LYS 45 1HZ LYS 45 -16.966 -0.006 4.317 384 HZ3 LYS 45 2HZ LYS 45 -15.387 0.563 4.532 385 H TYR 46 H TYR 46 -11.284 2.248 -1.580 386 HA TYR 46 HA TYR 46 -8.804 0.743 -1.960 387 HB2 TYR 46 2HB TYR 46 -10.916 1.063 -4.106 388 HB3 TYR 46 1HB TYR 46 -9.284 0.472 -4.387 389 HD1 TYR 46 2HD TYR 46 -8.602 -1.589 -2.851 390 HD2 TYR 46 1HD TYR 46 -12.595 -0.480 -3.815 391 HE1 TYR 46 2HE TYR 46 -9.351 -3.887 -2.381 392 HE2 TYR 46 1HE TYR 46 -13.354 -2.768 -3.340 393 HH TYR 46 HH TYR 46 -11.425 -5.066 -1.763 394 H LEU 47 H LEU 47 -8.092 1.804 -4.419 395 HA LEU 47 HA LEU 47 -8.016 4.689 -3.878 396 HB2 LEU 47 2HB LEU 47 -5.926 2.900 -5.118 397 HB3 LEU 47 1HB LEU 47 -5.826 4.648 -5.073 398 HG LEU 47 HG LEU 47 -5.936 2.880 -2.634 399 HD11 LEU 47 1HD1 LEU 47 -3.868 2.534 -3.859 400 HD12 LEU 47 2HD1 LEU 47 -3.564 3.441 -2.377 401 HD13 LEU 47 3HD1 LEU 47 -3.603 4.276 -3.930 402 HD21 LEU 47 3HD2 LEU 47 -5.256 4.925 -1.452 403 HD22 LEU 47 1HD2 LEU 47 -6.833 5.098 -2.222 404 HD23 LEU 47 2HD2 LEU 47 -5.408 5.832 -2.957 405 H SER 48 H SER 48 -8.476 6.059 -5.519 406 HA SER 48 HA SER 48 -9.704 4.999 -7.882 407 HB2 SER 48 2HB SER 48 -10.618 6.974 -6.695 408 HB3 SER 48 1HB SER 48 -9.152 7.869 -7.088 409 HG SER 48 HG SER 48 -11.187 7.989 -8.494 410 H LEU 49 H LEU 49 -9.143 6.372 -9.935 411 HA LEU 49 HA LEU 49 -6.593 5.437 -10.773 412 HB2 LEU 49 2HB LEU 49 -8.699 5.714 -12.183 413 HB3 LEU 49 1HB LEU 49 -8.361 7.431 -12.199 414 HG LEU 49 HG LEU 49 -7.669 6.088 -14.250 415 HD11 LEU 49 1HD1 LEU 49 -5.608 7.346 -14.575 416 HD12 LEU 49 2HD1 LEU 49 -5.560 7.721 -12.852 417 HD13 LEU 49 3HD1 LEU 49 -6.867 8.349 -13.855 418 HD21 LEU 49 3HD2 LEU 49 -5.489 5.199 -12.374 419 HD22 LEU 49 1HD2 LEU 49 -5.507 4.953 -14.120 420 HD23 LEU 49 2HD2 LEU 49 -6.721 4.173 -13.107 421 H GLN 50 H GLN 50 -7.934 8.579 -9.938 422 HA GLN 50 HA GLN 50 -5.637 10.111 -10.529 423 HB2 GLN 50 2HB GLN 50 -8.009 10.560 -8.722 424 HB3 GLN 50 1HB GLN 50 -6.747 11.753 -8.945 425 HG2 GLN 50 2HG GLN 50 -7.243 11.872 -11.321 426 HG3 GLN 50 1HG GLN 50 -8.485 10.636 -11.128 427 HE21 GLN 50 1HE2 GLN 50 -10.054 12.045 -11.931 428 HE22 GLN 50 2HE2 GLN 50 -10.689 13.337 -10.965 429 H GLN 51 H GLN 51 -6.728 8.323 -7.725 430 HA GLN 51 HA GLN 51 -4.871 9.496 -5.912 431 HB2 GLN 51 2HB GLN 51 -6.471 6.952 -5.627 432 HB3 GLN 51 1HB GLN 51 -5.686 7.839 -4.332 433 HG2 GLN 51 2HG GLN 51 -7.157 9.764 -4.814 434 HG3 GLN 51 1HG GLN 51 -7.992 8.775 -6.013 435 HE21 GLN 51 1HE2 GLN 51 -7.480 9.374 -2.649 436 HE22 GLN 51 2HE2 GLN 51 -8.740 8.349 -2.061 437 H MET 52 H MET 52 -4.995 6.444 -7.735 438 HA MET 52 HA MET 52 -2.769 5.288 -6.440 439 HB2 MET 52 2HB MET 52 -2.737 3.660 -8.264 440 HB3 MET 52 1HB MET 52 -4.363 3.912 -7.652 441 HG2 MET 52 2HG MET 52 -4.864 5.341 -9.563 442 HG3 MET 52 1HG MET 52 -3.228 5.100 -10.172 443 HE1 MET 52 3HE MET 52 -6.339 1.707 -9.816 444 HE2 MET 52 1HE MET 52 -6.671 3.380 -9.371 445 HE3 MET 52 2HE MET 52 -5.528 2.428 -8.424 446 H GLN 53 H GLN 53 -2.992 7.201 -9.442 447 HA GLN 53 HA GLN 53 -0.213 6.879 -10.019 448 HB2 GLN 53 2HB GLN 53 -0.541 8.553 -11.756 449 HB3 GLN 53 1HB GLN 53 -1.829 7.362 -11.797 450 HG2 GLN 53 2HG GLN 53 -3.302 8.936 -10.633 451 HG3 GLN 53 1HG GLN 53 -2.010 10.135 -10.648 452 HE21 GLN 53 1HE2 GLN 53 -2.669 7.912 -13.281 453 HE22 GLN 53 2HE2 GLN 53 -3.210 9.111 -14.405 454 H GLU 54 H GLU 54 -2.122 9.299 -8.310 455 HA GLU 54 HA GLU 54 0.009 11.152 -7.982 456 HB2 GLU 54 2HB GLU 54 -2.453 11.664 -7.720 457 HB3 GLU 54 1HB GLU 54 -2.391 10.823 -6.177 458 HG2 GLU 54 2HG GLU 54 -2.213 13.173 -5.783 459 HG3 GLU 54 1HG GLU 54 -0.658 12.422 -5.426 460 H LEU 55 H LEU 55 -1.289 8.509 -6.012 461 HA LEU 55 HA LEU 55 0.304 8.913 -3.750 462 HB2 LEU 55 2HB LEU 55 -1.666 7.394 -3.881 463 HB3 LEU 55 1HB LEU 55 -0.686 6.269 -4.804 464 HG LEU 55 HG LEU 55 0.838 6.036 -2.869 465 HD11 LEU 55 1HD1 LEU 55 -1.199 7.750 -1.452 466 HD12 LEU 55 2HD1 LEU 55 0.452 8.223 -1.851 467 HD13 LEU 55 3HD1 LEU 55 0.164 6.922 -0.696 468 HD21 LEU 55 3HD2 LEU 55 -0.970 4.443 -3.174 469 HD22 LEU 55 1HD2 LEU 55 -2.069 5.497 -2.284 470 HD23 LEU 55 2HD2 LEU 55 -0.702 4.751 -1.458 471 H SER 56 H SER 56 0.920 7.158 -6.726 472 HA SER 56 HA SER 56 3.381 6.028 -6.119 473 HB2 SER 56 2HB SER 56 2.607 7.310 -8.757 474 HB3 SER 56 1HB SER 56 3.836 6.068 -8.519 475 HG SER 56 HG SER 56 1.063 5.733 -7.967 476 H ASN 57 H ASN 57 2.627 9.238 -7.393 477 HA ASN 57 HA ASN 57 5.220 10.296 -7.454 478 HB2 ASN 57 2HB ASN 57 3.412 11.411 -8.575 479 HB3 ASN 57 1HB ASN 57 2.515 11.593 -7.075 480 HD21 ASN 57 1HD2 ASN 57 2.322 13.777 -7.225 481 HD22 ASN 57 2HD2 ASN 57 3.667 14.865 -7.040 482 H ILE 58 H ILE 58 2.847 10.139 -4.840 483 HA ILE 58 HA ILE 58 4.184 11.935 -3.096 484 HB ILE 58 HB ILE 58 2.209 9.775 -2.353 485 HG12 ILE 58 2HG1 ILE 58 1.715 12.622 -3.233 486 HG13 ILE 58 1HG1 ILE 58 1.329 11.182 -4.157 487 HG21 ILE 58 1HG2 ILE 58 2.943 12.369 -1.004 488 HG22 ILE 58 2HG2 ILE 58 3.362 10.749 -0.448 489 HG23 ILE 58 3HG2 ILE 58 1.674 11.261 -0.477 490 HD11 ILE 58 3HD1 ILE 58 -0.661 12.072 -3.131 491 HD12 ILE 58 1HD1 ILE 58 0.095 11.996 -1.539 492 HD13 ILE 58 2HD1 ILE 58 -0.261 10.509 -2.416 493 H LEU 59 H LEU 59 4.063 8.388 -3.319 494 HA LEU 59 HA LEU 59 5.818 8.174 -1.020 495 HB2 LEU 59 2HB LEU 59 4.583 6.039 -2.751 496 HB3 LEU 59 1HB LEU 59 5.513 5.740 -1.295 497 HG LEU 59 HG LEU 59 2.847 7.143 -1.467 498 HD11 LEU 59 1HD1 LEU 59 2.713 4.728 -1.712 499 HD12 LEU 59 2HD1 LEU 59 2.044 5.247 -0.166 500 HD13 LEU 59 3HD1 LEU 59 3.647 4.515 -0.231 501 HD21 LEU 59 3HD2 LEU 59 4.638 6.647 0.906 502 HD22 LEU 59 1HD2 LEU 59 2.958 7.176 1.008 503 HD23 LEU 59 2HD2 LEU 59 4.164 8.208 0.239 504 H ASN 60 H ASN 60 6.359 8.916 -4.085 505 HA ASN 60 HA ASN 60 8.127 8.855 -5.506 506 HB2 ASN 60 2HB ASN 60 9.306 9.419 -3.307 507 HB3 ASN 60 1HB ASN 60 9.755 7.720 -3.224 508 HD21 ASN 60 1HD2 ASN 60 9.532 9.567 -6.200 509 HD22 ASN 60 2HD2 ASN 60 11.228 9.540 -6.550 510 H LEU 61 H LEU 61 6.359 6.636 -5.321 511 HA LEU 61 HA LEU 61 8.101 4.346 -5.957 512 HB2 LEU 61 2HB LEU 61 5.222 4.426 -5.048 513 HB3 LEU 61 1HB LEU 61 6.037 2.971 -5.586 514 HG LEU 61 HG LEU 61 6.826 4.623 -3.187 515 HD11 LEU 61 1HD1 LEU 61 6.018 2.704 -1.891 516 HD12 LEU 61 2HD1 LEU 61 5.445 1.949 -3.378 517 HD13 LEU 61 3HD1 LEU 61 4.726 3.461 -2.822 518 HD21 LEU 61 3HD2 LEU 61 8.332 2.751 -2.694 519 HD22 LEU 61 1HD2 LEU 61 8.741 3.541 -4.218 520 HD23 LEU 61 2HD2 LEU 61 7.886 1.998 -4.227 521 H SER 62 H SER 62 6.577 2.786 -7.430 522 HA SER 62 HA SER 62 6.242 4.363 -9.865 523 HB2 SER 62 2HB SER 62 7.805 2.562 -10.090 524 HB3 SER 62 1HB SER 62 6.675 1.415 -9.378 525 HG SER 62 HG SER 62 6.943 1.548 -11.809 526 H TYR 63 H TYR 63 4.418 4.256 -11.116 527 HA TYR 63 HA TYR 63 1.915 3.935 -9.944 528 HB2 TYR 63 2HB TYR 63 2.141 5.294 -11.905 529 HB3 TYR 63 1HB TYR 63 2.794 3.953 -12.838 530 HD1 TYR 63 2HD TYR 63 -0.294 5.133 -11.134 531 HD2 TYR 63 1HD TYR 63 1.375 2.602 -14.114 532 HE1 TYR 63 2HE TYR 63 -2.556 4.610 -11.948 533 HE2 TYR 63 1HE TYR 63 -0.876 2.068 -14.934 534 HH TYR 63 HH TYR 63 -3.638 3.810 -13.990 535 H LYS 64 H LYS 64 3.960 1.698 -11.695 536 HA LYS 64 HA LYS 64 2.085 -0.364 -12.076 537 HB2 LYS 64 2HB LYS 64 5.093 -0.458 -11.784 538 HB3 LYS 64 1HB LYS 64 4.101 -1.803 -12.313 539 HG2 LYS 64 2HG LYS 64 3.389 -0.535 -14.265 540 HG3 LYS 64 1HG LYS 64 4.366 0.834 -13.728 541 HD2 LYS 64 2HD LYS 64 6.389 -0.469 -13.948 542 HD3 LYS 64 1HD LYS 64 5.454 -1.909 -14.348 543 HE2 LYS 64 2HE LYS 64 6.423 -0.897 -16.345 544 HE3 LYS 64 1HE LYS 64 4.663 -0.843 -16.390 545 HZ1 LYS 64 3HZ LYS 64 5.780 1.236 -17.107 546 HZ2 LYS 64 1HZ LYS 64 6.363 1.434 -15.527 547 HZ3 LYS 64 2HZ LYS 64 4.691 1.454 -15.825 548 H GLN 65 H GLN 65 4.375 0.368 -9.507 549 HA GLN 65 HA GLN 65 3.840 -1.942 -7.961 550 HB2 GLN 65 2HB GLN 65 5.038 0.728 -7.210 551 HB3 GLN 65 1HB GLN 65 4.983 -0.663 -6.136 552 HG2 GLN 65 2HG GLN 65 6.364 -0.612 -8.813 553 HG3 GLN 65 1HG GLN 65 7.158 -0.375 -7.258 554 HE21 GLN 65 1HE2 GLN 65 8.486 -2.166 -7.586 555 HE22 GLN 65 2HE2 GLN 65 7.897 -3.781 -7.456 556 H VAL 66 H VAL 66 2.548 1.367 -7.920 557 HA VAL 66 HA VAL 66 0.990 0.921 -5.566 558 HB VAL 66 HB VAL 66 0.724 3.077 -7.670 559 HG11 VAL 66 1HG1 VAL 66 -0.617 4.278 -5.997 560 HG12 VAL 66 2HG1 VAL 66 -0.574 2.856 -4.953 561 HG13 VAL 66 3HG1 VAL 66 -1.396 2.783 -6.512 562 HG21 VAL 66 3HG2 VAL 66 1.833 4.479 -6.003 563 HG22 VAL 66 1HG2 VAL 66 2.842 3.104 -6.450 564 HG23 VAL 66 2HG2 VAL 66 1.966 3.093 -4.919 565 H LYS 67 H LYS 67 0.287 0.781 -9.043 566 HA LYS 67 HA LYS 67 -2.463 0.240 -8.844 567 HB2 LYS 67 2HB LYS 67 -1.388 0.843 -10.964 568 HB3 LYS 67 1HB LYS 67 -0.498 -0.672 -10.952 569 HG2 LYS 67 2HG LYS 67 -2.654 -1.889 -11.064 570 HG3 LYS 67 1HG LYS 67 -3.481 -0.340 -11.210 571 HD2 LYS 67 2HD LYS 67 -3.225 -1.241 -13.407 572 HD3 LYS 67 1HD LYS 67 -2.099 0.108 -13.249 573 HE2 LYS 67 2HE LYS 67 -0.938 -1.668 -14.338 574 HE3 LYS 67 1HE LYS 67 -0.315 -1.559 -12.694 575 HZ1 LYS 67 3HZ LYS 67 -0.649 -3.841 -13.198 576 HZ2 LYS 67 1HZ LYS 67 -2.227 -3.565 -13.759 577 HZ3 LYS 67 2HZ LYS 67 -1.870 -3.396 -12.117 578 H THR 68 H THR 68 0.340 -1.889 -8.894 579 HA THR 68 HA THR 68 -1.021 -4.338 -8.997 580 HB THR 68 HB THR 68 1.688 -3.701 -7.809 581 HG1 THR 68 1HG THR 68 1.847 -3.282 -9.930 582 HG21 THR 68 3HG2 THR 68 0.536 -6.367 -8.642 583 HG22 THR 68 1HG2 THR 68 0.849 -5.854 -6.984 584 HG23 THR 68 2HG2 THR 68 2.191 -6.078 -8.106 585 H TRP 69 H TRP 69 -0.074 -2.321 -6.243 586 HA TRP 69 HA TRP 69 -0.683 -4.133 -4.189 587 HB2 TRP 69 2HB TRP 69 0.252 -1.537 -4.344 588 HB3 TRP 69 1HB TRP 69 -1.315 -1.344 -3.567 589 HD1 TRP 69 HD TRP 69 2.209 -2.408 -2.898 590 HE1 TRP 69 1HE TRP 69 2.455 -3.149 -0.448 591 HE3 TRP 69 3HE TRP 69 -2.735 -2.612 -1.607 592 HZ2 TRP 69 2HZ TRP 69 0.780 -3.740 1.747 593 HZ3 TRP 69 3HZ TRP 69 -3.328 -3.275 0.686 594 HH2 TRP 69 HH TRP 69 -1.605 -3.828 2.328 595 H PHE 70 H PHE 70 -2.650 -1.555 -5.630 596 HA PHE 70 HA PHE 70 -5.030 -2.085 -4.240 597 HB2 PHE 70 2HB PHE 70 -5.166 -0.038 -5.241 598 HB3 PHE 70 1HB PHE 70 -4.224 -0.538 -6.638 599 HD1 PHE 70 1HD PHE 70 -7.607 -0.596 -5.135 600 HD2 PHE 70 2HD PHE 70 -5.261 -1.197 -8.637 601 HE1 PHE 70 1HE PHE 70 -9.658 -0.718 -6.490 602 HE2 PHE 70 2HE PHE 70 -7.306 -1.319 -9.995 603 HZ PHE 70 HZ PHE 70 -9.508 -1.083 -8.926 604 H GLN 71 H GLN 71 -3.757 -3.364 -7.257 605 HA GLN 71 HA GLN 71 -6.175 -4.653 -8.047 606 HB2 GLN 71 2HB GLN 71 -4.042 -3.874 -9.392 607 HB3 GLN 71 1HB GLN 71 -3.501 -5.512 -9.055 608 HG2 GLN 71 2HG GLN 71 -5.308 -6.454 -10.241 609 HG3 GLN 71 1HG GLN 71 -6.147 -4.904 -10.330 610 HE21 GLN 71 1HE2 GLN 71 -6.269 -4.815 -12.534 611 HE22 GLN 71 2HE2 GLN 71 -4.875 -4.617 -13.551 612 H ASN 72 H ASN 72 -3.436 -5.552 -6.141 613 HA ASN 72 HA ASN 72 -3.840 -8.367 -6.165 614 HB2 ASN 72 2HB ASN 72 -1.695 -7.091 -5.538 615 HB3 ASN 72 1HB ASN 72 -2.461 -6.805 -3.979 616 HD21 ASN 72 1HD2 ASN 72 -1.032 -9.146 -6.091 617 HD22 ASN 72 2HD2 ASN 72 -0.891 -10.417 -4.918 618 H GLN 73 H GLN 73 -4.641 -5.737 -3.933 619 HA GLN 73 HA GLN 73 -6.103 -7.202 -2.060 620 HB2 GLN 73 2HB GLN 73 -6.269 -4.352 -3.007 621 HB3 GLN 73 1HB GLN 73 -7.393 -4.971 -1.806 622 HG2 GLN 73 2HG GLN 73 -4.397 -5.000 -1.529 623 HG3 GLN 73 1HG GLN 73 -5.465 -3.784 -0.830 624 HE21 GLN 73 1HE2 GLN 73 -6.815 -4.355 0.884 625 HE22 GLN 73 2HE2 GLN 73 -6.564 -5.793 1.811 626 H ARG 74 H ARG 74 -7.090 -5.774 -5.143 627 HA ARG 74 HA ARG 74 -9.828 -6.384 -4.914 628 HB2 ARG 74 2HB ARG 74 -8.033 -5.722 -7.202 629 HB3 ARG 74 1HB ARG 74 -9.637 -6.359 -7.542 630 HG2 ARG 74 2HG ARG 74 -8.973 -3.869 -5.989 631 HG3 ARG 74 1HG ARG 74 -9.700 -3.961 -7.596 632 HD2 ARG 74 2HD ARG 74 -10.914 -4.898 -4.997 633 HD3 ARG 74 1HD ARG 74 -11.412 -3.502 -5.951 634 HE ARG 74 HE ARG 74 -11.854 -5.343 -7.733 635 HH11 ARG 74 1HH1 ARG 74 -12.389 -5.634 -4.272 636 HH12 ARG 74 2HH1 ARG 74 -13.716 -6.745 -4.448 637 HH21 ARG 74 1HH2 ARG 74 -13.601 -6.798 -7.954 638 HH22 ARG 74 2HH2 ARG 74 -14.402 -7.405 -6.534 639 H MET 75 H MET 75 -7.135 -8.251 -6.332 640 HA MET 75 HA MET 75 -8.944 -10.186 -7.417 641 HB2 MET 75 2HB MET 75 -6.993 -11.468 -8.047 642 HB3 MET 75 1HB MET 75 -6.758 -9.773 -8.431 643 HG2 MET 75 2HG MET 75 -4.713 -10.380 -7.587 644 HG3 MET 75 1HG MET 75 -5.501 -9.676 -6.178 645 HE1 MET 75 3HE MET 75 -3.557 -10.853 -4.761 646 HE2 MET 75 1HE MET 75 -2.901 -11.659 -6.188 647 HE3 MET 75 2HE MET 75 -3.277 -12.594 -4.739 648 H LYS 76 H LYS 76 -7.442 -9.834 -4.325 649 HA LYS 76 HA LYS 76 -7.889 -12.608 -3.597 650 HB2 LYS 76 2HB LYS 76 -6.934 -12.024 -1.432 651 HB3 LYS 76 1HB LYS 76 -5.900 -11.467 -2.738 652 HG2 LYS 76 2HG LYS 76 -6.785 -9.201 -2.467 653 HG3 LYS 76 1HG LYS 76 -7.804 -9.767 -1.143 654 HD2 LYS 76 2HD LYS 76 -4.814 -10.072 -1.121 655 HD3 LYS 76 1HD LYS 76 -5.621 -8.628 -0.509 656 HE2 LYS 76 2HE LYS 76 -6.105 -11.443 0.463 657 HE3 LYS 76 1HE LYS 76 -5.087 -10.251 1.268 658 HZ1 LYS 76 3HZ LYS 76 -7.228 -10.296 2.307 659 HZ2 LYS 76 1HZ LYS 76 -8.020 -10.076 0.827 660 HZ3 LYS 76 2HZ LYS 76 -7.080 -8.824 1.478 661 H SER 77 H SER 77 -9.710 -9.760 -3.593 662 HA SER 77 HA SER 77 -10.942 -9.640 -1.138 663 HB2 SER 77 2HB SER 77 -12.080 -8.952 -3.847 664 HB3 SER 77 1HB SER 77 -12.802 -8.472 -2.312 665 HG SER 77 HG SER 77 -10.095 -7.885 -2.777 666 H LYS 78 H LYS 78 -11.667 -11.943 -3.693 667 HA LYS 78 HA LYS 78 -14.305 -12.550 -2.907 668 HB2 LYS 78 2HB LYS 78 -12.258 -14.198 -4.388 669 HB3 LYS 78 1HB LYS 78 -13.919 -14.720 -4.134 670 HG2 LYS 78 2HG LYS 78 -14.684 -12.673 -5.310 671 HG3 LYS 78 1HG LYS 78 -12.996 -12.301 -5.666 672 HD2 LYS 78 2HD LYS 78 -12.769 -14.363 -6.917 673 HD3 LYS 78 1HD LYS 78 -14.413 -14.837 -6.484 674 HE2 LYS 78 2HE LYS 78 -15.271 -12.870 -7.686 675 HE3 LYS 78 1HE LYS 78 -13.623 -12.446 -8.144 676 HZ1 LYS 78 3HZ LYS 78 -15.027 -14.957 -8.897 677 HZ2 LYS 78 1HZ LYS 78 -13.455 -14.522 -9.361 678 HZ3 LYS 78 2HZ LYS 78 -14.784 -13.624 -9.918 679 H ARG 79 H ARG 79 -11.408 -14.587 -2.363 680 HA ARG 79 HA ARG 79 -12.384 -15.152 0.324 681 HB2 ARG 79 2HB ARG 79 -13.347 -16.934 -1.063 682 HB3 ARG 79 1HB ARG 79 -11.744 -17.339 -1.663 683 HG2 ARG 79 2HG ARG 79 -11.052 -18.132 0.458 684 HG3 ARG 79 1HG ARG 79 -12.480 -17.460 1.249 685 HD2 ARG 79 2HD ARG 79 -12.662 -19.881 0.961 686 HD3 ARG 79 1HD ARG 79 -13.902 -19.019 0.054 687 HE ARG 79 HE ARG 79 -11.451 -20.081 -1.208 688 HH11 ARG 79 1HH1 ARG 79 -14.926 -19.615 -1.128 689 HH12 ARG 79 2HH1 ARG 79 -15.193 -20.385 -2.662 690 HH21 ARG 79 1HH2 ARG 79 -11.807 -21.111 -3.227 691 HH22 ARG 79 2HH2 ARG 79 -13.416 -21.191 -3.881 692 H TRP 80 H TRP 80 -9.924 -16.652 -1.741 693 HA TRP 80 HA TRP 80 -7.835 -15.298 -0.228 694 HB2 TRP 80 2HB TRP 80 -8.118 -17.467 0.897 695 HB3 TRP 80 1HB TRP 80 -7.921 -18.300 -0.643 696 HD1 TRP 80 HD TRP 80 -5.476 -18.693 -1.509 697 HE1 TRP 80 1HE TRP 80 -3.140 -18.295 -0.502 698 HE3 TRP 80 3HE TRP 80 -6.812 -15.793 2.484 699 HZ2 TRP 80 2HZ TRP 80 -2.020 -16.937 1.708 700 HZ3 TRP 80 3HZ TRP 80 -5.046 -14.983 3.994 701 HH2 TRP 80 HH TRP 80 -2.700 -15.544 3.613 702 H GLN 81 H GLN 81 -7.023 -14.148 -1.840 703 HA GLN 81 HA GLN 81 -6.045 -13.549 -3.789 704 HB2 GLN 81 2HB GLN 81 -5.180 -16.363 -3.416 705 HB3 GLN 81 1HB GLN 81 -4.959 -15.681 -5.020 706 HG2 GLN 81 2HG GLN 81 -2.963 -15.466 -3.618 707 HG3 GLN 81 1HG GLN 81 -3.593 -13.906 -4.133 708 HE21 GLN 81 1HE2 GLN 81 -2.566 -12.814 -2.464 709 HE22 GLN 81 2HE2 GLN 81 -3.089 -12.941 -0.820 710 H LYS 82 H LYS 82 -5.880 -14.527 -6.285 711 HA LYS 82 HA LYS 82 -8.613 -14.472 -7.143 712 HB2 LYS 82 2HB LYS 82 -6.375 -13.569 -8.288 713 HB3 LYS 82 1HB LYS 82 -6.417 -15.154 -9.045 714 HG2 LYS 82 2HG LYS 82 -8.707 -13.200 -9.121 715 HG3 LYS 82 1HG LYS 82 -7.467 -13.314 -10.367 716 HD2 LYS 82 2HD LYS 82 -8.107 -15.608 -10.839 717 HD3 LYS 82 1HD LYS 82 -9.294 -15.567 -9.533 718 HE2 LYS 82 2HE LYS 82 -10.532 -13.823 -10.693 719 HE3 LYS 82 1HE LYS 82 -9.327 -13.803 -11.979 720 HZ1 LYS 82 3HZ LYS 82 -11.429 -15.101 -12.408 721 HZ2 LYS 82 1HZ LYS 82 -10.861 -16.241 -11.292 722 HZ3 LYS 82 2HZ LYS 82 -9.977 -15.923 -12.702 723 H ASN 83 H ASN 83 -9.476 -16.317 -6.242 724 HA ASN 83 HA ASN 83 -8.432 -18.896 -7.098 725 HB2 ASN 83 2HB ASN 83 -9.143 -18.512 -4.724 726 HB3 ASN 83 1HB ASN 83 -10.796 -18.320 -5.299 727 HD21 ASN 83 1HD2 ASN 83 -8.180 -20.531 -4.763 728 HD22 ASN 83 2HD2 ASN 83 -9.103 -21.990 -4.949 729 H ASN 84 H ASN 84 -9.114 -19.796 -8.873 730 HA ASN 84 HA ASN 84 -10.402 -20.504 -10.597 731 HB2 ASN 84 2HB ASN 84 -12.132 -20.841 -8.722 732 HB3 ASN 84 1HB ASN 84 -12.841 -19.327 -9.264 733 HD21 ASN 84 1HD2 ASN 84 -12.252 -19.821 -12.085 734 HD22 ASN 84 2HD2 ASN 84 -13.353 -21.055 -12.598 Start of MODEL 20 1 H1 SER 1 H1 SER 1 -3.423 14.908 -7.461 2 H2 SER 1 H2 SER 1 -3.782 16.561 -7.609 3 H3 SER 1 H3 SER 1 -4.472 15.449 -8.678 4 HA SER 1 HA SER 1 -6.073 16.170 -7.062 5 HB2 SER 1 2HB SER 1 -5.223 13.306 -6.552 6 HB3 SER 1 1HB SER 1 -6.852 13.973 -6.423 7 HG SER 1 HG SER 1 -7.089 13.691 -8.482 8 H LYS 2 H LYS 2 -5.771 17.497 -5.387 9 HA LYS 2 HA LYS 2 -5.227 18.283 -3.332 10 HB2 LYS 2 2HB LYS 2 -5.262 15.332 -2.809 11 HB3 LYS 2 1HB LYS 2 -4.709 16.434 -1.556 12 HG2 LYS 2 2HG LYS 2 -7.378 16.691 -2.912 13 HG3 LYS 2 1HG LYS 2 -7.120 15.774 -1.424 14 HD2 LYS 2 2HD LYS 2 -6.191 17.832 -0.388 15 HD3 LYS 2 1HD LYS 2 -6.622 18.717 -1.851 16 HE2 LYS 2 2HE LYS 2 -8.942 18.328 -1.499 17 HE3 LYS 2 1HE LYS 2 -8.613 17.172 -0.206 18 HZ1 LYS 2 3HZ LYS 2 -8.027 20.087 -0.114 19 HZ2 LYS 2 1HZ LYS 2 -7.711 18.974 1.127 20 HZ3 LYS 2 2HZ LYS 2 -9.310 19.308 0.677 21 H GLN 3 H GLN 3 -3.395 17.845 -1.474 22 HA GLN 3 HA GLN 3 -0.866 17.290 -2.867 23 HB2 GLN 3 2HB GLN 3 -1.499 19.650 -1.100 24 HB3 GLN 3 1HB GLN 3 0.150 19.137 -1.431 25 HG2 GLN 3 2HG GLN 3 -0.193 19.509 -3.809 26 HG3 GLN 3 1HG GLN 3 -1.867 19.976 -3.501 27 HE21 GLN 3 1HE2 GLN 3 0.690 20.844 -1.332 28 HE22 GLN 3 2HE2 GLN 3 0.693 22.538 -1.677 29 HA PRO 4 HA PRO 4 -1.156 14.918 1.070 30 HB2 PRO 4 2HB PRO 4 -0.363 12.594 -0.459 31 HB3 PRO 4 1HB PRO 4 -1.875 12.880 0.404 32 HG2 PRO 4 2HG PRO 4 -1.693 12.736 -2.321 33 HG3 PRO 4 1HG PRO 4 -2.942 13.663 -1.471 34 HD2 PRO 4 2HD PRO 4 -0.400 14.614 -2.734 35 HD3 PRO 4 1HD PRO 4 -2.017 15.354 -2.756 36 H THR 5 H THR 5 0.884 16.499 0.845 37 HA THR 5 HA THR 5 3.271 14.770 0.975 38 HB THR 5 HB THR 5 3.289 17.755 0.496 39 HG1 THR 5 1HG THR 5 2.950 15.597 -1.265 40 HG21 THR 5 3HG2 THR 5 5.374 16.814 1.365 41 HG22 THR 5 1HG2 THR 5 5.571 17.319 -0.314 42 HG23 THR 5 2HG2 THR 5 5.377 15.610 0.077 43 H SER 6 H SER 6 1.386 17.270 2.438 44 HA SER 6 HA SER 6 2.964 17.049 4.897 45 HB2 SER 6 2HB SER 6 1.687 19.250 5.447 46 HB3 SER 6 1HB SER 6 3.023 19.312 4.295 47 HG SER 6 HG SER 6 0.758 20.276 3.808 48 H ALA 7 H ALA 7 1.901 15.141 5.556 49 HA ALA 7 HA ALA 7 -0.977 15.244 5.998 50 HB1 ALA 7 1HB ALA 7 -0.762 12.920 6.683 51 HB2 ALA 7 2HB ALA 7 0.997 13.045 6.619 52 HB3 ALA 7 3HB ALA 7 0.047 13.181 5.139 53 H GLU 8 H GLU 8 2.040 15.161 7.756 54 HA GLU 8 HA GLU 8 2.655 15.757 9.829 55 HB2 GLU 8 2HB GLU 8 1.187 17.754 9.279 56 HB3 GLU 8 1HB GLU 8 -0.068 16.975 10.237 57 HG2 GLU 8 2HG GLU 8 1.072 18.570 11.604 58 HG3 GLU 8 1HG GLU 8 1.482 16.948 12.162 59 H ASN 9 H ASN 9 2.792 13.641 10.488 60 HA ASN 9 HA ASN 9 0.541 12.527 11.961 61 HB2 ASN 9 2HB ASN 9 1.996 10.493 12.153 62 HB3 ASN 9 1HB ASN 9 1.617 10.953 10.500 63 HD21 ASN 9 1HD2 ASN 9 3.755 9.302 11.429 64 HD22 ASN 9 2HD2 ASN 9 5.235 10.068 10.943 65 H SER 10 H SER 10 0.341 13.518 13.842 66 HA SER 10 HA SER 10 2.250 14.938 15.225 67 HB2 SER 10 2HB SER 10 -0.054 13.627 16.634 68 HB3 SER 10 1HB SER 10 0.619 15.241 16.875 69 HG SER 10 HG SER 10 -0.266 15.882 14.911 70 H VAL 11 H VAL 11 1.141 11.650 15.903 71 HA VAL 11 HA VAL 11 3.331 11.339 17.856 72 HB VAL 11 HB VAL 11 1.038 9.459 17.656 73 HG11 VAL 11 1HG1 VAL 11 2.839 8.823 19.126 74 HG12 VAL 11 2HG1 VAL 11 1.435 9.237 20.110 75 HG13 VAL 11 3HG1 VAL 11 2.771 10.378 19.954 76 HG21 VAL 11 3HG2 VAL 11 0.929 12.073 19.169 77 HG22 VAL 11 1HG2 VAL 11 -0.268 10.779 19.276 78 HG23 VAL 11 2HG2 VAL 11 -0.037 11.645 17.757 79 H ALA 12 H ALA 12 3.300 11.068 14.961 80 HA ALA 12 HA ALA 12 4.312 9.866 13.441 81 HB1 ALA 12 1HB ALA 12 4.997 7.869 15.564 82 HB2 ALA 12 2HB ALA 12 5.976 9.265 15.116 83 HB3 ALA 12 3HB ALA 12 5.714 7.962 13.956 84 H LYS 13 H LYS 13 2.633 7.572 15.556 85 HA LYS 13 HA LYS 13 1.137 5.912 15.147 86 HB2 LYS 13 2HB LYS 13 -0.367 7.317 14.011 87 HB3 LYS 13 1HB LYS 13 0.714 7.524 12.642 88 HG2 LYS 13 2HG LYS 13 0.332 5.168 12.013 89 HG3 LYS 13 1HG LYS 13 -0.804 5.019 13.355 90 HD2 LYS 13 2HD LYS 13 -2.339 6.491 12.364 91 HD3 LYS 13 1HD LYS 13 -1.137 7.123 11.241 92 HE2 LYS 13 2HE LYS 13 -2.681 5.676 10.066 93 HE3 LYS 13 1HE LYS 13 -1.077 4.949 10.096 94 HZ1 LYS 13 3HZ LYS 13 -1.806 3.506 11.897 95 HZ2 LYS 13 1HZ LYS 13 -2.804 3.323 10.543 96 HZ3 LYS 13 2HZ LYS 13 -3.346 4.213 11.879 97 H LYS 14 H LYS 14 1.909 3.947 14.968 98 HA LYS 14 HA LYS 14 3.294 3.245 12.474 99 HB2 LYS 14 2HB LYS 14 3.963 2.251 15.248 100 HB3 LYS 14 1HB LYS 14 4.713 1.687 13.761 101 HG2 LYS 14 2HG LYS 14 5.505 4.006 13.344 102 HG3 LYS 14 1HG LYS 14 4.864 4.462 14.921 103 HD2 LYS 14 2HD LYS 14 7.216 4.053 15.134 104 HD3 LYS 14 1HD LYS 14 6.346 2.754 15.953 105 HE2 LYS 14 2HE LYS 14 6.717 1.266 14.109 106 HE3 LYS 14 1HE LYS 14 7.408 2.566 13.138 107 HZ1 LYS 14 3HZ LYS 14 8.570 1.545 15.674 108 HZ2 LYS 14 1HZ LYS 14 9.249 2.718 14.653 109 HZ3 LYS 14 2HZ LYS 14 9.102 1.113 14.124 110 H GLU 15 H GLU 15 1.604 2.413 11.500 111 HA GLU 15 HA GLU 15 0.038 0.962 10.833 112 HB2 GLU 15 2HB GLU 15 1.386 -0.863 12.812 113 HB3 GLU 15 1HB GLU 15 0.160 -1.381 11.660 114 HG2 GLU 15 2HG GLU 15 2.918 -0.339 11.098 115 HG3 GLU 15 1HG GLU 15 2.241 -1.918 10.697 116 H ASP 16 H ASP 16 0.059 -0.222 14.183 117 HA ASP 16 HA ASP 16 -2.740 0.667 14.362 118 HB2 ASP 16 2HB ASP 16 -2.359 -1.803 13.653 119 HB3 ASP 16 1HB ASP 16 -1.892 -2.055 15.330 120 H LYS 17 H LYS 17 -3.091 -0.813 16.871 121 HA LYS 17 HA LYS 17 -2.194 1.264 18.616 122 HB2 LYS 17 2HB LYS 17 -3.376 -1.394 19.418 123 HB3 LYS 17 1HB LYS 17 -3.388 0.102 20.337 124 HG2 LYS 17 2HG LYS 17 -4.860 -0.371 17.756 125 HG3 LYS 17 1HG LYS 17 -5.565 -0.409 19.373 126 HD2 LYS 17 2HD LYS 17 -4.906 1.942 19.683 127 HD3 LYS 17 1HD LYS 17 -4.281 1.970 18.031 128 HE2 LYS 17 2HE LYS 17 -6.527 2.926 18.145 129 HE3 LYS 17 1HE LYS 17 -6.510 1.454 17.175 130 HZ1 LYS 17 3HZ LYS 17 -8.405 1.379 18.579 131 HZ2 LYS 17 1HZ LYS 17 -7.492 1.758 19.959 132 HZ3 LYS 17 2HZ LYS 17 -7.295 0.260 19.201 133 H VAL 18 H VAL 18 0.031 1.274 18.757 134 HA VAL 18 HA VAL 18 2.096 0.745 19.505 135 HB VAL 18 HB VAL 18 0.598 -1.132 21.327 136 HG11 VAL 18 1HG1 VAL 18 3.401 -0.029 21.542 137 HG12 VAL 18 2HG1 VAL 18 2.970 -1.707 21.209 138 HG13 VAL 18 3HG1 VAL 18 2.580 -0.990 22.772 139 HG21 VAL 18 3HG2 VAL 18 -0.140 1.175 21.558 140 HG22 VAL 18 1HG2 VAL 18 1.531 1.702 21.749 141 HG23 VAL 18 2HG2 VAL 18 0.785 0.675 22.975 142 HA PRO 19 HA PRO 19 2.440 -2.668 16.455 143 HB2 PRO 19 2HB PRO 19 5.058 -1.937 15.885 144 HB3 PRO 19 1HB PRO 19 3.626 -1.366 15.022 145 HG2 PRO 19 2HG PRO 19 5.172 -0.047 17.213 146 HG3 PRO 19 1HG PRO 19 4.447 0.670 15.762 147 HD2 PRO 19 2HD PRO 19 3.273 0.927 18.147 148 HD3 PRO 19 1HD PRO 19 2.306 0.663 16.678 149 H VAL 20 H VAL 20 4.285 -4.266 16.145 150 HA VAL 20 HA VAL 20 5.357 -6.077 16.936 151 HB VAL 20 HB VAL 20 6.134 -4.252 19.194 152 HG11 VAL 20 1HG1 VAL 20 6.348 -6.601 19.841 153 HG12 VAL 20 2HG1 VAL 20 7.933 -5.853 19.650 154 HG13 VAL 20 3HG1 VAL 20 7.302 -6.916 18.392 155 HG21 VAL 20 3HG2 VAL 20 6.916 -3.434 17.064 156 HG22 VAL 20 1HG2 VAL 20 7.579 -5.020 16.667 157 HG23 VAL 20 2HG2 VAL 20 8.275 -4.078 17.985 158 H LYS 21 H LYS 21 3.640 -7.351 17.232 159 HA LYS 21 HA LYS 21 2.844 -7.908 19.969 160 HB2 LYS 21 2HB LYS 21 0.967 -6.859 17.887 161 HB3 LYS 21 1HB LYS 21 0.382 -8.068 19.021 162 HG2 LYS 21 2HG LYS 21 0.912 -6.635 20.888 163 HG3 LYS 21 1HG LYS 21 1.637 -5.445 19.805 164 HD2 LYS 21 2HD LYS 21 -0.471 -4.932 18.828 165 HD3 LYS 21 1HD LYS 21 -1.241 -6.311 19.613 166 HE2 LYS 21 2HE LYS 21 -1.771 -4.129 20.675 167 HE3 LYS 21 1HE LYS 21 -1.014 -5.285 21.769 168 HZ1 LYS 21 3HZ LYS 21 1.081 -4.154 21.495 169 HZ2 LYS 21 1HZ LYS 21 -0.094 -3.048 22.005 170 HZ3 LYS 21 2HZ LYS 21 0.405 -3.070 20.382 171 H LYS 22 H LYS 22 1.737 -8.727 16.679 172 HA LYS 22 HA LYS 22 3.109 -11.228 16.705 173 HB2 LYS 22 2HB LYS 22 1.199 -12.716 16.570 174 HB3 LYS 22 1HB LYS 22 1.161 -11.834 18.089 175 HG2 LYS 22 2HG LYS 22 -0.610 -10.450 17.345 176 HG3 LYS 22 1HG LYS 22 -0.447 -11.029 15.683 177 HD2 LYS 22 2HD LYS 22 -1.062 -13.296 16.450 178 HD3 LYS 22 1HD LYS 22 -1.305 -12.658 18.074 179 HE2 LYS 22 2HE LYS 22 -3.087 -11.228 17.279 180 HE3 LYS 22 1HE LYS 22 -2.802 -11.756 15.620 181 HZ1 LYS 22 3HZ LYS 22 -3.477 -13.965 16.193 182 HZ2 LYS 22 1HZ LYS 22 -4.690 -12.897 16.702 183 HZ3 LYS 22 2HZ LYS 22 -3.619 -13.563 17.834 184 H GLN 23 H GLN 23 2.903 -8.835 15.112 185 HA GLN 23 HA GLN 23 1.378 -9.495 12.747 186 HB2 GLN 23 2HB GLN 23 3.301 -7.227 13.309 187 HB3 GLN 23 1HB GLN 23 2.358 -7.393 11.834 188 HG2 GLN 23 2HG GLN 23 1.239 -7.073 14.609 189 HG3 GLN 23 1HG GLN 23 1.354 -5.805 13.391 190 HE21 GLN 23 1HE2 GLN 23 -0.982 -6.919 14.753 191 HE22 GLN 23 2HE2 GLN 23 -2.039 -7.492 13.513 192 H LYS 24 H LYS 24 2.341 -11.455 12.126 193 HA LYS 24 HA LYS 24 5.130 -11.318 11.287 194 HB2 LYS 24 2HB LYS 24 4.847 -13.783 10.856 195 HB3 LYS 24 1HB LYS 24 4.671 -13.283 12.530 196 HG2 LYS 24 2HG LYS 24 2.223 -13.371 12.273 197 HG3 LYS 24 1HG LYS 24 2.443 -13.952 10.619 198 HD2 LYS 24 2HD LYS 24 3.706 -15.879 11.509 199 HD3 LYS 24 1HD LYS 24 3.372 -15.309 13.145 200 HE2 LYS 24 2HE LYS 24 0.967 -15.525 12.721 201 HE3 LYS 24 1HE LYS 24 1.312 -16.109 11.091 202 HZ1 LYS 24 3HZ LYS 24 2.065 -17.437 13.641 203 HZ2 LYS 24 1HZ LYS 24 2.522 -17.978 12.097 204 HZ3 LYS 24 2HZ LYS 24 0.884 -17.961 12.537 205 H THR 25 H THR 25 4.799 -9.898 9.572 206 HA THR 25 HA THR 25 3.222 -10.778 7.299 207 HB THR 25 HB THR 25 3.144 -8.421 7.782 208 HG1 THR 25 1HG THR 25 4.540 -7.808 5.674 209 HG21 THR 25 3HG2 THR 25 6.145 -8.441 7.480 210 HG22 THR 25 1HG2 THR 25 5.246 -8.173 8.972 211 HG23 THR 25 2HG2 THR 25 5.150 -6.996 7.662 212 H ARG 26 H ARG 26 4.181 -10.969 5.157 213 HA ARG 26 HA ARG 26 6.543 -12.579 5.220 214 HB2 ARG 26 2HB ARG 26 4.669 -13.018 3.666 215 HB3 ARG 26 1HB ARG 26 5.007 -11.503 2.843 216 HG2 ARG 26 2HG ARG 26 5.990 -13.123 1.497 217 HG3 ARG 26 1HG ARG 26 7.339 -12.467 2.421 218 HD2 ARG 26 2HD ARG 26 5.842 -15.007 3.065 219 HD3 ARG 26 1HD ARG 26 7.408 -14.927 2.262 220 HE ARG 26 HE ARG 26 7.653 -13.562 4.679 221 HH11 ARG 26 1HH1 ARG 26 7.029 -16.832 3.571 222 HH12 ARG 26 2HH1 ARG 26 7.705 -17.575 4.990 223 HH21 ARG 26 1HH2 ARG 26 8.518 -14.549 6.563 224 HH22 ARG 26 2HH2 ARG 26 8.546 -16.289 6.681 225 H THR 27 H THR 27 5.721 -9.384 3.965 226 HA THR 27 HA THR 27 8.586 -8.742 3.849 227 HB THR 27 HB THR 27 7.939 -7.229 1.877 228 HG1 THR 27 1HG THR 27 5.843 -7.276 1.524 229 HG21 THR 27 3HG2 THR 27 7.854 -10.229 1.515 230 HG22 THR 27 1HG2 THR 27 9.307 -9.235 1.592 231 HG23 THR 27 2HG2 THR 27 8.183 -9.050 0.245 232 H VAL 28 H VAL 28 9.111 -6.561 4.309 233 HA VAL 28 HA VAL 28 6.906 -4.985 5.459 234 HB VAL 28 HB VAL 28 8.493 -4.058 7.103 235 HG11 VAL 28 1HG1 VAL 28 8.282 -7.064 7.156 236 HG12 VAL 28 2HG1 VAL 28 7.084 -5.918 7.758 237 HG13 VAL 28 3HG1 VAL 28 8.660 -6.040 8.541 238 HG21 VAL 28 3HG2 VAL 28 10.665 -5.152 7.474 239 HG22 VAL 28 1HG2 VAL 28 10.580 -4.367 5.898 240 HG23 VAL 28 2HG2 VAL 28 10.416 -6.118 6.019 241 H PHE 29 H PHE 29 7.058 -2.736 5.298 242 HA PHE 29 HA PHE 29 9.038 -1.686 3.402 243 HB2 PHE 29 2HB PHE 29 6.208 -0.759 3.942 244 HB3 PHE 29 1HB PHE 29 7.359 0.089 2.934 245 HD1 PHE 29 2HD PHE 29 8.490 -2.561 1.700 246 HD2 PHE 29 1HD PHE 29 4.587 -0.947 2.225 247 HE1 PHE 29 2HE PHE 29 7.707 -3.836 -0.254 248 HE2 PHE 29 1HE PHE 29 3.794 -2.224 0.271 249 HZ PHE 29 HZ PHE 29 5.358 -3.667 -0.971 250 H SER 30 H SER 30 9.220 0.809 3.802 251 HA SER 30 HA SER 30 10.149 1.343 6.386 252 HB2 SER 30 2HB SER 30 10.869 2.723 4.539 253 HB3 SER 30 1HB SER 30 9.210 3.183 4.166 254 HG SER 30 HG SER 30 10.034 4.868 5.284 255 H SER 31 H SER 31 9.190 2.678 8.057 256 HA SER 31 HA SER 31 6.567 1.893 8.684 257 HB2 SER 31 2HB SER 31 8.282 2.548 10.370 258 HB3 SER 31 1HB SER 31 8.111 4.225 9.852 259 HG SER 31 HG SER 31 5.686 3.482 10.328 260 H THR 32 H THR 32 7.862 4.809 7.214 261 HA THR 32 HA THR 32 5.472 6.310 7.252 262 HB THR 32 HB THR 32 7.583 6.569 5.120 263 HG1 THR 32 1HG THR 32 7.781 7.792 7.688 264 HG21 THR 32 3HG2 THR 32 5.908 8.599 6.604 265 HG22 THR 32 1HG2 THR 32 5.602 8.016 4.969 266 HG23 THR 32 2HG2 THR 32 7.058 8.952 5.313 267 H GLN 33 H GLN 33 6.858 4.032 4.924 268 HA GLN 33 HA GLN 33 4.975 4.492 2.863 269 HB2 GLN 33 2HB GLN 33 6.796 2.163 3.466 270 HB3 GLN 33 1HB GLN 33 5.768 2.228 2.042 271 HG2 GLN 33 2HG GLN 33 6.925 4.130 1.194 272 HG3 GLN 33 1HG GLN 33 7.819 4.326 2.703 273 HE21 GLN 33 1HE2 GLN 33 9.784 4.225 1.569 274 HE22 GLN 33 2HE2 GLN 33 10.404 2.717 0.987 275 H LEU 34 H LEU 34 5.225 1.937 5.330 276 HA LEU 34 HA LEU 34 2.884 0.557 4.661 277 HB2 LEU 34 2HB LEU 34 4.311 0.859 7.297 278 HB3 LEU 34 1HB LEU 34 2.950 -0.219 7.066 279 HG LEU 34 HG LEU 34 5.574 -0.412 5.583 280 HD11 LEU 34 1HD1 LEU 34 5.989 -2.363 6.970 281 HD12 LEU 34 2HD1 LEU 34 4.475 -2.093 7.832 282 HD13 LEU 34 3HD1 LEU 34 5.789 -0.927 7.973 283 HD21 LEU 34 3HD2 LEU 34 4.716 -2.564 4.827 284 HD22 LEU 34 1HD2 LEU 34 3.650 -1.255 4.315 285 HD23 LEU 34 2HD2 LEU 34 3.202 -2.274 5.684 286 H CYS 35 H CYS 35 3.367 3.165 7.049 287 HA CYS 35 HA CYS 35 0.710 3.022 8.002 288 HB2 CYS 35 2HB CYS 35 2.778 5.195 8.298 289 HB3 CYS 35 1HB CYS 35 1.242 5.153 9.162 290 HG CYS 35 HG CYS 35 2.574 2.245 9.615 291 H VAL 36 H VAL 36 2.200 4.922 5.441 292 HA VAL 36 HA VAL 36 -0.008 6.644 5.025 293 HB VAL 36 HB VAL 36 2.184 5.739 3.153 294 HG11 VAL 36 1HG1 VAL 36 0.176 6.219 1.819 295 HG12 VAL 36 2HG1 VAL 36 1.423 7.442 1.572 296 HG13 VAL 36 3HG1 VAL 36 0.036 7.792 2.603 297 HG21 VAL 36 3HG2 VAL 36 2.962 8.043 3.415 298 HG22 VAL 36 1HG2 VAL 36 2.839 7.233 4.977 299 HG23 VAL 36 2HG2 VAL 36 1.601 8.386 4.481 300 H LEU 37 H LEU 37 0.871 3.498 3.633 301 HA LEU 37 HA LEU 37 -1.347 3.275 1.902 302 HB2 LEU 37 2HB LEU 37 0.283 1.099 3.223 303 HB3 LEU 37 1HB LEU 37 -0.829 0.857 1.890 304 HG LEU 37 HG LEU 37 1.665 2.551 1.767 305 HD11 LEU 37 1HD1 LEU 37 2.169 0.171 2.009 306 HD12 LEU 37 2HD1 LEU 37 2.578 0.759 0.397 307 HD13 LEU 37 3HD1 LEU 37 1.112 -0.190 0.645 308 HD21 LEU 37 3HD2 LEU 37 1.242 2.536 -0.653 309 HD22 LEU 37 1HD2 LEU 37 -0.059 3.324 0.240 310 HD23 LEU 37 2HD2 LEU 37 -0.276 1.684 -0.371 311 H ASN 38 H ASN 38 -0.797 2.171 5.220 312 HA ASN 38 HA ASN 38 -3.262 0.895 5.642 313 HB2 ASN 38 2HB ASN 38 -1.523 0.523 7.227 314 HB3 ASN 38 1HB ASN 38 -1.298 2.247 7.496 315 HD21 ASN 38 1HD2 ASN 38 -3.148 -0.557 8.294 316 HD22 ASN 38 2HD2 ASN 38 -4.061 0.155 9.577 317 H ASP 39 H ASP 39 -2.237 4.222 6.249 318 HA ASP 39 HA ASP 39 -4.550 5.112 7.486 319 HB2 ASP 39 2HB ASP 39 -2.452 6.405 7.442 320 HB3 ASP 39 1HB ASP 39 -2.678 6.706 5.721 321 H ARG 40 H ARG 40 -3.691 5.214 4.037 322 HA ARG 40 HA ARG 40 -5.969 6.642 3.223 323 HB2 ARG 40 2HB ARG 40 -4.396 4.692 1.543 324 HB3 ARG 40 1HB ARG 40 -5.410 6.005 0.964 325 HG2 ARG 40 2HG ARG 40 -2.749 6.155 2.328 326 HG3 ARG 40 1HG ARG 40 -3.211 6.767 0.741 327 HD2 ARG 40 2HD ARG 40 -4.697 8.408 1.858 328 HD3 ARG 40 1HD ARG 40 -4.110 7.834 3.417 329 HE ARG 40 HE ARG 40 -2.247 8.923 1.424 330 HH11 ARG 40 1HH1 ARG 40 -3.676 9.031 4.637 331 HH12 ARG 40 2HH1 ARG 40 -2.543 10.207 5.219 332 HH21 ARG 40 1HH2 ARG 40 -0.763 10.464 2.213 333 HH22 ARG 40 2HH2 ARG 40 -0.886 11.009 3.851 334 H PHE 41 H PHE 41 -5.350 3.154 3.448 335 HA PHE 41 HA PHE 41 -7.865 2.422 2.315 336 HB2 PHE 41 2HB PHE 41 -5.772 0.908 3.856 337 HB3 PHE 41 1HB PHE 41 -7.313 0.163 3.422 338 HD1 PHE 41 1HD PHE 41 -7.865 1.229 0.809 339 HD2 PHE 41 2HD PHE 41 -4.156 -0.039 2.465 340 HE1 PHE 41 1HE PHE 41 -7.034 0.763 -1.434 341 HE2 PHE 41 2HE PHE 41 -3.315 -0.521 0.201 342 HZ PHE 41 HZ PHE 41 -4.754 -0.121 -1.759 343 H GLN 42 H GLN 42 -6.810 3.346 5.477 344 HA GLN 42 HA GLN 42 -9.196 2.429 6.820 345 HB2 GLN 42 2HB GLN 42 -7.020 4.345 7.672 346 HB3 GLN 42 1HB GLN 42 -8.360 3.868 8.704 347 HG2 GLN 42 2HG GLN 42 -6.388 1.940 7.506 348 HG3 GLN 42 1HG GLN 42 -6.236 2.642 9.115 349 HE21 GLN 42 1HE2 GLN 42 -7.616 1.988 10.733 350 HE22 GLN 42 2HE2 GLN 42 -8.596 0.570 10.605 351 H ARG 43 H ARG 43 -8.219 5.276 5.082 352 HA ARG 43 HA ARG 43 -10.424 6.890 6.042 353 HB2 ARG 43 2HB ARG 43 -8.701 7.400 3.611 354 HB3 ARG 43 1HB ARG 43 -9.667 8.569 4.496 355 HG2 ARG 43 2HG ARG 43 -7.236 7.155 5.557 356 HG3 ARG 43 1HG ARG 43 -7.276 8.799 4.924 357 HD2 ARG 43 2HD ARG 43 -8.767 9.489 6.689 358 HD3 ARG 43 1HD ARG 43 -8.877 7.831 7.285 359 HE ARG 43 HE ARG 43 -6.184 8.501 7.253 360 HH11 ARG 43 1HH1 ARG 43 -9.078 9.672 8.860 361 HH12 ARG 43 2HH1 ARG 43 -8.229 10.132 10.306 362 HH21 ARG 43 1HH2 ARG 43 -5.083 9.082 9.124 363 HH22 ARG 43 2HH2 ARG 43 -5.952 9.788 10.467 364 H GLN 44 H GLN 44 -9.517 5.221 3.060 365 HA GLN 44 HA GLN 44 -12.299 5.473 2.113 366 HB2 GLN 44 2HB GLN 44 -10.728 7.077 1.002 367 HB3 GLN 44 1HB GLN 44 -9.803 5.704 0.422 368 HG2 GLN 44 2HG GLN 44 -11.707 4.950 -0.882 369 HG3 GLN 44 1HG GLN 44 -12.671 6.297 -0.271 370 HE21 GLN 44 1HE2 GLN 44 -13.000 7.141 -2.335 371 HE22 GLN 44 2HE2 GLN 44 -11.742 7.925 -3.220 372 H LYS 45 H LYS 45 -12.998 3.751 0.713 373 HA LYS 45 HA LYS 45 -12.150 1.200 1.519 374 HB2 LYS 45 2HB LYS 45 -13.686 1.894 -0.991 375 HB3 LYS 45 1HB LYS 45 -13.643 0.331 -0.190 376 HG2 LYS 45 2HG LYS 45 -14.767 1.323 1.761 377 HG3 LYS 45 1HG LYS 45 -14.847 2.866 0.904 378 HD2 LYS 45 2HD LYS 45 -16.114 1.708 -0.907 379 HD3 LYS 45 1HD LYS 45 -16.151 0.265 0.108 380 HE2 LYS 45 2HE LYS 45 -17.339 1.521 1.841 381 HE3 LYS 45 1HE LYS 45 -17.311 2.959 0.817 382 HZ1 LYS 45 3HZ LYS 45 -18.724 0.402 0.289 383 HZ2 LYS 45 1HZ LYS 45 -18.544 1.630 -0.866 384 HZ3 LYS 45 2HZ LYS 45 -19.418 1.929 0.554 385 H TYR 46 H TYR 46 -11.678 2.930 -1.540 386 HA TYR 46 HA TYR 46 -9.189 1.499 -1.989 387 HB2 TYR 46 2HB TYR 46 -11.578 1.322 -3.816 388 HB3 TYR 46 1HB TYR 46 -9.941 1.117 -4.427 389 HD1 TYR 46 2HD TYR 46 -8.519 -0.575 -2.782 390 HD2 TYR 46 1HD TYR 46 -12.718 -0.627 -3.459 391 HE1 TYR 46 2HE TYR 46 -8.579 -2.963 -2.188 392 HE2 TYR 46 1HE TYR 46 -12.791 -3.011 -2.865 393 HH TYR 46 HH TYR 46 -10.189 -4.638 -1.385 394 H LEU 47 H LEU 47 -7.843 2.530 -3.553 395 HA LEU 47 HA LEU 47 -8.213 5.383 -3.589 396 HB2 LEU 47 2HB LEU 47 -6.032 3.677 -4.804 397 HB3 LEU 47 1HB LEU 47 -5.998 5.424 -4.657 398 HG LEU 47 HG LEU 47 -6.068 3.504 -2.331 399 HD11 LEU 47 1HD1 LEU 47 -3.966 3.342 -3.532 400 HD12 LEU 47 2HD1 LEU 47 -3.731 4.166 -1.990 401 HD13 LEU 47 3HD1 LEU 47 -3.786 5.095 -3.489 402 HD21 LEU 47 3HD2 LEU 47 -5.646 6.489 -2.419 403 HD22 LEU 47 1HD2 LEU 47 -5.556 5.473 -0.980 404 HD23 LEU 47 2HD2 LEU 47 -7.090 5.667 -1.827 405 H SER 48 H SER 48 -8.499 6.687 -5.360 406 HA SER 48 HA SER 48 -9.851 5.534 -7.601 407 HB2 SER 48 2HB SER 48 -9.071 8.403 -7.049 408 HB3 SER 48 1HB SER 48 -10.194 7.858 -8.296 409 HG SER 48 HG SER 48 -11.155 6.785 -6.192 410 H LEU 49 H LEU 49 -9.261 6.726 -9.771 411 HA LEU 49 HA LEU 49 -6.913 5.404 -10.647 412 HB2 LEU 49 2HB LEU 49 -9.018 5.872 -11.988 413 HB3 LEU 49 1HB LEU 49 -8.471 7.526 -12.134 414 HG LEU 49 HG LEU 49 -8.059 5.989 -14.119 415 HD11 LEU 49 1HD1 LEU 49 -6.962 8.142 -13.916 416 HD12 LEU 49 2HD1 LEU 49 -5.861 6.945 -14.600 417 HD13 LEU 49 3HD1 LEU 49 -5.706 7.423 -12.909 418 HD21 LEU 49 3HD2 LEU 49 -6.105 4.555 -14.027 419 HD22 LEU 49 1HD2 LEU 49 -7.304 4.042 -12.842 420 HD23 LEU 49 2HD2 LEU 49 -5.879 4.942 -12.321 421 H GLN 50 H GLN 50 -7.734 8.756 -9.984 422 HA GLN 50 HA GLN 50 -5.223 9.819 -10.801 423 HB2 GLN 50 2HB GLN 50 -7.469 10.871 -9.092 424 HB3 GLN 50 1HB GLN 50 -6.038 11.806 -9.462 425 HG2 GLN 50 2HG GLN 50 -6.550 11.607 -11.864 426 HG3 GLN 50 1HG GLN 50 -8.020 10.728 -11.445 427 HE21 GLN 50 1HE2 GLN 50 -7.681 13.270 -12.850 428 HE22 GLN 50 2HE2 GLN 50 -8.590 14.437 -11.954 429 H GLN 51 H GLN 51 -6.543 8.596 -7.809 430 HA GLN 51 HA GLN 51 -4.567 9.715 -6.110 431 HB2 GLN 51 2HB GLN 51 -6.554 7.488 -5.688 432 HB3 GLN 51 1HB GLN 51 -5.538 8.157 -4.422 433 HG2 GLN 51 2HG GLN 51 -6.575 10.299 -4.621 434 HG3 GLN 51 1HG GLN 51 -7.472 9.782 -6.047 435 HE21 GLN 51 1HE2 GLN 51 -7.011 7.740 -3.264 436 HE22 GLN 51 2HE2 GLN 51 -8.659 7.764 -2.729 437 H MET 52 H MET 52 -4.923 6.573 -7.705 438 HA MET 52 HA MET 52 -2.787 5.323 -6.329 439 HB2 MET 52 2HB MET 52 -2.822 3.644 -8.129 440 HB3 MET 52 1HB MET 52 -4.421 3.967 -7.478 441 HG2 MET 52 2HG MET 52 -4.900 5.398 -9.410 442 HG3 MET 52 1HG MET 52 -3.308 5.022 -10.066 443 HE1 MET 52 3HE MET 52 -5.791 2.616 -8.162 444 HE2 MET 52 1HE MET 52 -6.674 1.908 -9.513 445 HE3 MET 52 2HE MET 52 -6.856 3.623 -9.143 446 H GLN 53 H GLN 53 -2.872 7.087 -9.435 447 HA GLN 53 HA GLN 53 -0.087 6.637 -9.899 448 HB2 GLN 53 2HB GLN 53 -0.301 8.255 -11.732 449 HB3 GLN 53 1HB GLN 53 -1.564 7.037 -11.790 450 HG2 GLN 53 2HG GLN 53 -3.149 8.619 -10.838 451 HG3 GLN 53 1HG GLN 53 -1.878 9.836 -10.735 452 HE21 GLN 53 1HE2 GLN 53 -2.146 7.612 -13.400 453 HE22 GLN 53 2HE2 GLN 53 -2.617 8.778 -14.585 454 H GLU 54 H GLU 54 -1.983 9.210 -8.437 455 HA GLU 54 HA GLU 54 0.035 11.109 -8.057 456 HB2 GLU 54 2HB GLU 54 -2.429 11.407 -7.598 457 HB3 GLU 54 1HB GLU 54 -2.211 10.463 -6.133 458 HG2 GLU 54 2HG GLU 54 -2.195 12.704 -5.461 459 HG3 GLU 54 1HG GLU 54 -0.510 12.189 -5.427 460 H LEU 55 H LEU 55 -1.104 8.515 -5.920 461 HA LEU 55 HA LEU 55 0.690 8.841 -3.833 462 HB2 LEU 55 2HB LEU 55 -1.318 7.380 -3.833 463 HB3 LEU 55 1HB LEU 55 -0.455 6.243 -4.853 464 HG LEU 55 HG LEU 55 1.246 6.028 -2.999 465 HD11 LEU 55 1HD1 LEU 55 0.714 8.107 -1.829 466 HD12 LEU 55 2HD1 LEU 55 0.562 6.709 -0.765 467 HD13 LEU 55 3HD1 LEU 55 -0.881 7.475 -1.428 468 HD21 LEU 55 3HD2 LEU 55 -0.465 4.339 -3.399 469 HD22 LEU 55 1HD2 LEU 55 -1.601 5.239 -2.394 470 HD23 LEU 55 2HD2 LEU 55 -0.158 4.526 -1.671 471 H SER 56 H SER 56 1.015 6.965 -6.792 472 HA SER 56 HA SER 56 3.392 5.650 -6.300 473 HB2 SER 56 2HB SER 56 2.571 6.895 -8.937 474 HB3 SER 56 1HB SER 56 3.691 5.553 -8.718 475 HG SER 56 HG SER 56 0.958 5.496 -7.945 476 H ASN 57 H ASN 57 3.002 8.865 -7.803 477 HA ASN 57 HA ASN 57 5.790 9.249 -8.124 478 HB2 ASN 57 2HB ASN 57 4.085 10.425 -9.485 479 HB3 ASN 57 1HB ASN 57 3.613 11.352 -8.063 480 HD21 ASN 57 1HD2 ASN 57 4.812 13.082 -7.455 481 HD22 ASN 57 2HD2 ASN 57 6.207 13.651 -8.312 482 H ILE 58 H ILE 58 3.582 9.940 -5.513 483 HA ILE 58 HA ILE 58 5.251 11.798 -4.145 484 HB ILE 58 HB ILE 58 3.064 10.069 -2.983 485 HG12 ILE 58 2HG1 ILE 58 2.964 12.789 -4.283 486 HG13 ILE 58 1HG1 ILE 58 2.190 11.322 -4.852 487 HG21 ILE 58 1HG2 ILE 58 2.900 11.844 -1.291 488 HG22 ILE 58 2HG2 ILE 58 4.279 12.660 -2.026 489 HG23 ILE 58 3HG2 ILE 58 4.487 11.073 -1.286 490 HD11 ILE 58 3HD1 ILE 58 1.506 12.804 -2.327 491 HD12 ILE 58 1HD1 ILE 58 0.739 11.321 -2.892 492 HD13 ILE 58 2HD1 ILE 58 0.579 12.807 -3.827 493 H LEU 59 H LEU 59 4.780 8.283 -3.945 494 HA LEU 59 HA LEU 59 6.721 8.167 -1.763 495 HB2 LEU 59 2HB LEU 59 4.770 6.214 -2.915 496 HB3 LEU 59 1HB LEU 59 6.139 5.622 -1.994 497 HG LEU 59 HG LEU 59 4.215 5.763 -0.558 498 HD11 LEU 59 1HD1 LEU 59 5.084 7.217 1.203 499 HD12 LEU 59 2HD1 LEU 59 6.171 7.974 0.038 500 HD13 LEU 59 3HD1 LEU 59 6.363 6.269 0.447 501 HD21 LEU 59 3HD2 LEU 59 2.942 7.444 -1.786 502 HD22 LEU 59 1HD2 LEU 59 4.085 8.687 -1.276 503 HD23 LEU 59 2HD2 LEU 59 3.084 7.865 -0.079 504 H ASN 60 H ASN 60 7.054 8.517 -4.879 505 HA ASN 60 HA ASN 60 8.629 8.052 -6.445 506 HB2 ASN 60 2HB ASN 60 10.146 8.650 -4.545 507 HB3 ASN 60 1HB ASN 60 10.238 6.942 -4.129 508 HD21 ASN 60 1HD2 ASN 60 12.441 6.834 -4.468 509 HD22 ASN 60 2HD2 ASN 60 13.140 6.886 -6.050 510 H LEU 61 H LEU 61 6.581 6.210 -6.004 511 HA LEU 61 HA LEU 61 7.860 3.636 -6.642 512 HB2 LEU 61 2HB LEU 61 5.040 4.208 -5.712 513 HB3 LEU 61 1HB LEU 61 5.682 2.621 -6.087 514 HG LEU 61 HG LEU 61 6.630 4.404 -3.838 515 HD11 LEU 61 1HD1 LEU 61 5.559 2.803 -2.372 516 HD12 LEU 61 2HD1 LEU 61 5.019 1.858 -3.758 517 HD13 LEU 61 3HD1 LEU 61 4.379 3.479 -3.493 518 HD21 LEU 61 3HD2 LEU 61 7.935 2.458 -3.138 519 HD22 LEU 61 1HD2 LEU 61 8.416 3.000 -4.745 520 HD23 LEU 61 2HD2 LEU 61 7.393 1.574 -4.565 521 H SER 62 H SER 62 6.314 2.333 -8.169 522 HA SER 62 HA SER 62 5.942 4.063 -10.487 523 HB2 SER 62 2HB SER 62 7.392 2.135 -10.797 524 HB3 SER 62 1HB SER 62 6.123 1.054 -10.223 525 HG SER 62 HG SER 62 6.465 2.255 -12.686 526 H TYR 63 H TYR 63 3.995 4.342 -11.483 527 HA TYR 63 HA TYR 63 1.575 3.823 -10.184 528 HB2 TYR 63 2HB TYR 63 1.571 5.532 -11.821 529 HB3 TYR 63 1HB TYR 63 2.270 4.479 -13.043 530 HD1 TYR 63 2HD TYR 63 -0.830 4.949 -11.022 531 HD2 TYR 63 1HD TYR 63 0.903 3.435 -14.594 532 HE1 TYR 63 2HE TYR 63 -3.077 4.453 -11.894 533 HE2 TYR 63 1HE TYR 63 -1.335 2.934 -15.476 534 HH TYR 63 HH TYR 63 -4.199 4.089 -14.013 535 H LYS 64 H LYS 64 3.486 1.923 -12.373 536 HA LYS 64 HA LYS 64 1.555 -0.025 -13.019 537 HB2 LYS 64 2HB LYS 64 4.569 -0.048 -12.976 538 HB3 LYS 64 1HB LYS 64 3.637 -1.464 -13.419 539 HG2 LYS 64 2HG LYS 64 4.284 -0.406 -15.430 540 HG3 LYS 64 1HG LYS 64 2.564 -0.087 -15.219 541 HD2 LYS 64 2HD LYS 64 3.089 2.144 -14.352 542 HD3 LYS 64 1HD LYS 64 4.812 1.824 -14.572 543 HE2 LYS 64 2HE LYS 64 4.420 1.516 -16.977 544 HE3 LYS 64 1HE LYS 64 2.717 1.902 -16.735 545 HZ1 LYS 64 3HZ LYS 64 5.010 3.718 -16.204 546 HZ2 LYS 64 1HZ LYS 64 3.379 4.094 -15.931 547 HZ3 LYS 64 2HZ LYS 64 3.929 3.826 -17.511 548 H GLN 65 H GLN 65 3.862 0.360 -10.407 549 HA GLN 65 HA GLN 65 3.309 -2.181 -9.229 550 HB2 GLN 65 2HB GLN 65 4.791 0.254 -8.255 551 HB3 GLN 65 1HB GLN 65 4.602 -1.192 -7.273 552 HG2 GLN 65 2HG GLN 65 5.936 -1.050 -9.967 553 HG3 GLN 65 1HG GLN 65 6.757 -1.142 -8.410 554 HE21 GLN 65 1HE2 GLN 65 7.801 -3.053 -8.937 555 HE22 GLN 65 2HE2 GLN 65 6.963 -4.574 -9.041 556 H VAL 66 H VAL 66 2.299 1.166 -8.562 557 HA VAL 66 HA VAL 66 0.893 0.496 -6.183 558 HB VAL 66 HB VAL 66 0.624 2.920 -7.965 559 HG11 VAL 66 1HG1 VAL 66 -0.530 2.434 -5.215 560 HG12 VAL 66 2HG1 VAL 66 -1.453 2.557 -6.713 561 HG13 VAL 66 3HG1 VAL 66 -0.573 3.958 -6.101 562 HG21 VAL 66 3HG2 VAL 66 2.797 2.601 -6.845 563 HG22 VAL 66 1HG2 VAL 66 1.964 2.528 -5.291 564 HG23 VAL 66 2HG2 VAL 66 1.929 4.012 -6.241 565 H LYS 67 H LYS 67 -0.124 0.826 -9.564 566 HA LYS 67 HA LYS 67 -2.885 0.450 -9.044 567 HB2 LYS 67 2HB LYS 67 -1.973 1.530 -11.090 568 HB3 LYS 67 1HB LYS 67 -1.383 -0.036 -11.620 569 HG2 LYS 67 2HG LYS 67 -4.280 0.277 -11.012 570 HG3 LYS 67 1HG LYS 67 -3.641 0.945 -12.511 571 HD2 LYS 67 2HD LYS 67 -3.366 -1.927 -11.625 572 HD3 LYS 67 1HD LYS 67 -4.546 -1.330 -12.793 573 HE2 LYS 67 2HE LYS 67 -2.694 -0.558 -14.227 574 HE3 LYS 67 1HE LYS 67 -1.544 -1.222 -13.068 575 HZ1 LYS 67 3HZ LYS 67 -3.551 -2.765 -14.626 576 HZ2 LYS 67 1HZ LYS 67 -2.502 -3.427 -13.467 577 HZ3 LYS 67 2HZ LYS 67 -1.875 -2.742 -14.888 578 H THR 68 H THR 68 -0.279 -1.767 -9.881 579 HA THR 68 HA THR 68 -1.942 -4.037 -10.258 580 HB THR 68 HB THR 68 0.999 -3.915 -9.562 581 HG1 THR 68 1HG THR 68 1.019 -3.168 -11.556 582 HG21 THR 68 3HG2 THR 68 -0.667 -6.196 -10.633 583 HG22 THR 68 1HG2 THR 68 0.080 -6.108 -9.037 584 HG23 THR 68 2HG2 THR 68 1.090 -6.199 -10.481 585 H TRP 69 H TRP 69 -0.184 -2.749 -7.456 586 HA TRP 69 HA TRP 69 -0.784 -4.914 -5.732 587 HB2 TRP 69 2HB TRP 69 0.984 -3.138 -5.357 588 HB3 TRP 69 1HB TRP 69 -0.318 -2.048 -4.890 589 HD1 TRP 69 HD TRP 69 0.752 -5.639 -3.829 590 HE1 TRP 69 1HE TRP 69 0.588 -5.786 -1.265 591 HE3 TRP 69 3HE TRP 69 -0.894 -0.891 -2.853 592 HZ2 TRP 69 2HZ TRP 69 -0.136 -4.102 0.885 593 HZ3 TRP 69 3HZ TRP 69 -1.290 -0.243 -0.513 594 HH2 TRP 69 HH TRP 69 -0.919 -1.818 1.315 595 H PHE 70 H PHE 70 -2.457 -1.963 -6.600 596 HA PHE 70 HA PHE 70 -4.606 -2.049 -4.826 597 HB2 PHE 70 2HB PHE 70 -4.251 -0.142 -6.253 598 HB3 PHE 70 1HB PHE 70 -4.419 -1.126 -7.699 599 HD1 PHE 70 1HD PHE 70 -6.213 0.453 -4.916 600 HD2 PHE 70 2HD PHE 70 -6.565 -1.681 -8.578 601 HE1 PHE 70 1HE PHE 70 -8.607 1.013 -5.012 602 HE2 PHE 70 2HE PHE 70 -8.958 -1.127 -8.684 603 HZ PHE 70 HZ PHE 70 -9.983 0.226 -6.894 604 H GLN 71 H GLN 71 -4.172 -3.626 -7.977 605 HA GLN 71 HA GLN 71 -6.716 -4.865 -8.060 606 HB2 GLN 71 2HB GLN 71 -4.149 -5.761 -9.386 607 HB3 GLN 71 1HB GLN 71 -5.773 -6.264 -9.831 608 HG2 GLN 71 2HG GLN 71 -4.615 -3.499 -10.058 609 HG3 GLN 71 1HG GLN 71 -4.972 -4.609 -11.378 610 HE21 GLN 71 1HE2 GLN 71 -5.943 -1.914 -10.904 611 HE22 GLN 71 2HE2 GLN 71 -7.665 -2.026 -10.850 612 H ASN 72 H ASN 72 -3.722 -5.707 -6.546 613 HA ASN 72 HA ASN 72 -4.246 -8.427 -6.054 614 HB2 ASN 72 2HB ASN 72 -2.449 -6.460 -4.634 615 HB3 ASN 72 1HB ASN 72 -2.514 -8.174 -4.240 616 HD21 ASN 72 1HD2 ASN 72 -0.282 -6.616 -5.213 617 HD22 ASN 72 2HD2 ASN 72 0.221 -7.347 -6.695 618 H GLN 73 H GLN 73 -4.853 -5.487 -4.125 619 HA GLN 73 HA GLN 73 -6.030 -6.772 -1.923 620 HB2 GLN 73 2HB GLN 73 -6.162 -4.033 -3.077 621 HB3 GLN 73 1HB GLN 73 -7.439 -4.488 -1.959 622 HG2 GLN 73 2HG GLN 73 -5.676 -3.349 -0.786 623 HG3 GLN 73 1HG GLN 73 -5.748 -5.033 -0.271 624 HE21 GLN 73 1HE2 GLN 73 -3.956 -2.645 -2.021 625 HE22 GLN 73 2HE2 GLN 73 -2.483 -3.538 -2.149 626 H ARG 74 H ARG 74 -7.323 -5.790 -5.035 627 HA ARG 74 HA ARG 74 -10.018 -6.432 -4.545 628 HB2 ARG 74 2HB ARG 74 -8.376 -6.170 -7.040 629 HB3 ARG 74 1HB ARG 74 -10.035 -6.740 -7.123 630 HG2 ARG 74 2HG ARG 74 -9.301 -4.162 -5.774 631 HG3 ARG 74 1HG ARG 74 -9.645 -4.262 -7.500 632 HD2 ARG 74 2HD ARG 74 -11.639 -3.596 -6.324 633 HD3 ARG 74 1HD ARG 74 -11.856 -5.221 -6.971 634 HE ARG 74 HE ARG 74 -10.949 -5.127 -4.224 635 HH11 ARG 74 1HH1 ARG 74 -13.735 -5.181 -6.352 636 HH12 ARG 74 2HH1 ARG 74 -14.800 -5.812 -5.137 637 HH21 ARG 74 1HH2 ARG 74 -12.340 -5.955 -2.624 638 HH22 ARG 74 2HH2 ARG 74 -14.010 -6.237 -3.004 639 H MET 75 H MET 75 -7.303 -8.410 -5.766 640 HA MET 75 HA MET 75 -9.028 -10.662 -6.219 641 HB2 MET 75 2HB MET 75 -7.117 -11.931 -6.773 642 HB3 MET 75 1HB MET 75 -6.799 -10.310 -7.371 643 HG2 MET 75 2HG MET 75 -5.307 -9.871 -5.553 644 HG3 MET 75 1HG MET 75 -5.746 -11.385 -4.766 645 HE1 MET 75 3HE MET 75 -5.114 -10.775 -8.605 646 HE2 MET 75 1HE MET 75 -3.393 -11.141 -8.730 647 HE3 MET 75 2HE MET 75 -3.930 -9.728 -7.821 648 H LYS 76 H LYS 76 -7.075 -9.552 -3.526 649 HA LYS 76 HA LYS 76 -7.017 -11.914 -2.010 650 HB2 LYS 76 2HB LYS 76 -6.960 -9.028 -1.138 651 HB3 LYS 76 1HB LYS 76 -6.694 -10.376 -0.048 652 HG2 LYS 76 2HG LYS 76 -4.708 -11.017 -1.230 653 HG3 LYS 76 1HG LYS 76 -5.011 -9.802 -2.474 654 HD2 LYS 76 2HD LYS 76 -4.820 -8.041 -0.760 655 HD3 LYS 76 1HD LYS 76 -4.436 -9.275 0.439 656 HE2 LYS 76 2HE LYS 76 -2.436 -9.879 -0.785 657 HE3 LYS 76 1HE LYS 76 -2.837 -8.728 -2.058 658 HZ1 LYS 76 3HZ LYS 76 -2.610 -6.929 -0.481 659 HZ2 LYS 76 1HZ LYS 76 -1.182 -7.848 -0.520 660 HZ3 LYS 76 2HZ LYS 76 -2.268 -8.026 0.772 661 H SER 77 H SER 77 -9.556 -9.625 -2.546 662 HA SER 77 HA SER 77 -11.003 -9.866 -0.182 663 HB2 SER 77 2HB SER 77 -12.055 -9.404 -2.981 664 HB3 SER 77 1HB SER 77 -12.921 -9.054 -1.486 665 HG SER 77 HG SER 77 -10.379 -7.934 -1.796 666 H LYS 78 H LYS 78 -11.326 -11.754 -3.197 667 HA LYS 78 HA LYS 78 -13.217 -13.521 -1.827 668 HB2 LYS 78 2HB LYS 78 -13.842 -12.587 -4.036 669 HB3 LYS 78 1HB LYS 78 -12.478 -13.426 -4.758 670 HG2 LYS 78 2HG LYS 78 -13.453 -15.562 -4.238 671 HG3 LYS 78 1HG LYS 78 -14.766 -14.790 -3.346 672 HD2 LYS 78 2HD LYS 78 -14.219 -14.469 -6.300 673 HD3 LYS 78 1HD LYS 78 -15.471 -15.496 -5.595 674 HE2 LYS 78 2HE LYS 78 -16.486 -13.485 -4.569 675 HE3 LYS 78 1HE LYS 78 -15.261 -12.495 -5.358 676 HZ1 LYS 78 3HZ LYS 78 -17.295 -12.477 -6.622 677 HZ2 LYS 78 1HZ LYS 78 -17.296 -14.171 -6.727 678 HZ3 LYS 78 2HZ LYS 78 -16.086 -13.276 -7.506 679 H ARG 79 H ARG 79 -9.957 -13.419 -2.875 680 HA ARG 79 HA ARG 79 -9.756 -16.330 -3.145 681 HB2 ARG 79 2HB ARG 79 -8.915 -14.925 -4.964 682 HB3 ARG 79 1HB ARG 79 -7.828 -14.111 -3.855 683 HG2 ARG 79 2HG ARG 79 -6.536 -16.123 -3.575 684 HG3 ARG 79 1HG ARG 79 -7.688 -17.038 -4.551 685 HD2 ARG 79 2HD ARG 79 -7.110 -15.859 -6.514 686 HD3 ARG 79 1HD ARG 79 -6.236 -14.630 -5.606 687 HE ARG 79 HE ARG 79 -4.493 -16.232 -5.217 688 HH11 ARG 79 1HH1 ARG 79 -6.920 -17.225 -7.545 689 HH12 ARG 79 2HH1 ARG 79 -5.864 -18.347 -8.353 690 HH21 ARG 79 1HH2 ARG 79 -3.104 -17.672 -6.289 691 HH22 ARG 79 2HH2 ARG 79 -3.702 -18.615 -7.623 692 H TRP 80 H TRP 80 -9.630 -14.376 -0.604 693 HA TRP 80 HA TRP 80 -7.081 -14.847 0.531 694 HB2 TRP 80 2HB TRP 80 -8.741 -13.054 1.211 695 HB3 TRP 80 1HB TRP 80 -9.620 -14.312 2.073 696 HD1 TRP 80 HD TRP 80 -5.928 -13.076 2.004 697 HE1 TRP 80 1HE TRP 80 -5.080 -12.995 4.432 698 HE3 TRP 80 3HE TRP 80 -10.124 -14.754 4.388 699 HZ2 TRP 80 2HZ TRP 80 -6.055 -13.575 7.012 700 HZ3 TRP 80 3HZ TRP 80 -10.085 -14.961 6.838 701 HH2 TRP 80 HH TRP 80 -8.090 -14.382 8.121 702 H GLN 81 H GLN 81 -6.253 -16.563 1.415 703 HA GLN 81 HA GLN 81 -5.958 -18.451 2.622 704 HB2 GLN 81 2HB GLN 81 -8.886 -18.142 3.237 705 HB3 GLN 81 1HB GLN 81 -7.934 -19.496 3.826 706 HG2 GLN 81 2HG GLN 81 -7.457 -16.585 4.412 707 HG3 GLN 81 1HG GLN 81 -8.100 -17.794 5.523 708 HE21 GLN 81 1HE2 GLN 81 -5.726 -16.101 5.724 709 HE22 GLN 81 2HE2 GLN 81 -4.390 -17.176 5.942 710 H LYS 82 H LYS 82 -7.571 -18.248 -0.199 711 HA LYS 82 HA LYS 82 -7.246 -21.158 -0.515 712 HB2 LYS 82 2HB LYS 82 -8.814 -20.998 -2.493 713 HB3 LYS 82 1HB LYS 82 -9.563 -20.799 -0.919 714 HG2 LYS 82 2HG LYS 82 -8.725 -18.350 -2.369 715 HG3 LYS 82 1HG LYS 82 -10.130 -19.232 -2.968 716 HD2 LYS 82 2HD LYS 82 -9.769 -18.250 -0.136 717 HD3 LYS 82 1HD LYS 82 -10.739 -17.449 -1.372 718 HE2 LYS 82 2HE LYS 82 -11.197 -20.262 -0.383 719 HE3 LYS 82 1HE LYS 82 -12.075 -18.846 0.190 720 HZ1 LYS 82 3HZ LYS 82 -13.274 -20.102 -1.528 721 HZ2 LYS 82 1HZ LYS 82 -12.031 -19.773 -2.634 722 HZ3 LYS 82 2HZ LYS 82 -12.962 -18.505 -1.995 723 H ASN 83 H ASN 83 -5.414 -18.884 -0.663 724 HA ASN 83 HA ASN 83 -4.547 -19.124 -3.468 725 HB2 ASN 83 2HB ASN 83 -3.504 -16.943 -3.260 726 HB3 ASN 83 1HB ASN 83 -5.198 -16.812 -2.789 727 HD21 ASN 83 1HD2 ASN 83 -1.910 -16.599 -1.740 728 HD22 ASN 83 2HD2 ASN 83 -2.241 -16.011 -0.149 729 H ASN 84 H ASN 84 -2.240 -19.126 -3.808 730 HA ASN 84 HA ASN 84 -0.600 -19.734 -1.461 731 HB2 ASN 84 2HB ASN 84 -0.778 -21.346 -4.005 732 HB3 ASN 84 1HB ASN 84 0.674 -21.367 -3.008 733 HD21 ASN 84 1HD2 ASN 84 -2.656 -22.290 -3.240 734 HD22 ASN 84 2HD2 ASN 84 -2.665 -23.365 -1.883
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