NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
12565 | 1t4l | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 2H5* G 1 -19.091 -26.103 -6.838 2 2H5* G 1 1H5* G 1 -17.515 -25.530 -7.420 3 H4* G 1 H4* G 1 -19.224 -24.288 -8.587 4 H3* G 1 H3* G 1 -17.622 -22.833 -6.482 5 H2* G 1 H2* G 1 -18.932 -20.864 -6.719 6 2HO* G 1 HO2* G 1 -20.087 -22.128 -9.013 7 H1* G 1 H1* G 1 -21.351 -21.981 -6.690 8 H8 G 1 H8 G 1 -19.562 -24.339 -4.501 9 H1 G 1 H1 G 1 -20.179 -18.658 -1.671 10 1H2 G 1 1H2 G 1 -20.829 -17.139 -3.152 11 2H2 G 1 2H2 G 1 -21.115 -17.528 -4.834 12 H5T G 1 H5T G 1 -17.172 -24.502 -5.548 13 1H5* G 2 2H5* G 2 -18.463 -19.971 -9.575 14 2H5* G 2 1H5* G 2 -16.905 -19.288 -10.081 15 H4* G 2 H4* G 2 -18.637 -17.557 -9.498 16 H3* G 2 H3* G 2 -16.001 -17.737 -7.995 17 H2* G 2 H2* G 2 -16.632 -15.826 -6.744 18 2HO* G 2 HO2* G 2 -18.510 -14.580 -7.394 19 H1* G 2 H1* G 2 -19.288 -16.454 -6.418 20 H8 G 2 H8 G 2 -17.502 -19.625 -5.754 21 H1 G 2 H1 G 2 -16.664 -15.434 -1.025 22 1H2 G 2 1H2 G 2 -17.339 -13.421 -1.676 23 2H2 G 2 2H2 G 2 -17.994 -13.118 -3.269 24 1H5* G 3 2H5* G 3 -16.945 -13.840 -8.020 25 2H5* G 3 1H5* G 3 -15.720 -12.988 -8.974 26 H4* G 3 H4* G 3 -15.891 -11.792 -6.918 27 H3* G 3 H3* G 3 -13.484 -13.640 -7.057 28 H2* G 3 H2* G 3 -12.855 -12.972 -4.898 29 2HO* G 3 HO2* G 3 -13.013 -10.935 -4.354 30 H1* G 3 H1* G 3 -15.416 -12.581 -3.836 31 H8 G 3 H8 G 3 -14.850 -15.902 -5.578 32 H1 G 3 H1 G 3 -12.860 -15.860 0.479 33 1H2 G 3 1H2 G 3 -12.926 -13.812 1.290 34 2H2 G 3 2H2 G 3 -13.461 -12.441 0.345 35 1H5* A 4 2H5* A 4 -12.881 -9.381 -5.368 36 2H5* A 4 1H5* A 4 -11.350 -8.845 -6.088 37 H4* A 4 H4* A 4 -11.464 -8.413 -3.630 38 H3* A 4 H3* A 4 -9.390 -10.328 -4.759 39 H2* A 4 H2* A 4 -8.540 -10.664 -2.600 40 2HO* A 4 HO2* A 4 -8.620 -9.140 -1.033 41 H1* A 4 H1* A 4 -10.952 -10.367 -1.179 42 H8 A 4 H8 A 4 -10.890 -12.849 -4.073 43 1H6 A 4 1H6 A 4 -8.952 -17.018 0.012 44 2H6 A 4 2H6 A 4 -9.495 -16.768 -1.630 45 H2 A 4 H2 A 4 -8.992 -13.002 2.031 46 1H5* U 5 2H5* U 5 -8.155 -6.957 -1.940 47 2H5* U 5 1H5* U 5 -6.665 -6.248 -2.594 48 H4* U 5 H4* U 5 -6.442 -6.437 -0.185 49 H3* U 5 H3* U 5 -4.804 -8.357 -1.865 50 H2* U 5 H2* U 5 -3.873 -9.282 0.127 51 2HO* U 5 HO2* U 5 -4.415 -8.262 2.202 52 H1* U 5 H1* U 5 -6.173 -9.477 1.542 53 H3 U 5 H3 U 5 -5.372 -13.735 0.286 54 H5 U 5 H5 U 5 -6.558 -11.849 -3.291 55 H6 U 5 H6 U 5 -6.583 -9.739 -2.093 56 1H5* A 6 2H5* A 6 -1.943 -6.902 1.196 57 2H5* A 6 1H5* A 6 -0.384 -6.916 0.351 58 H4* A 6 H4* A 6 -0.668 -8.507 2.372 59 H3* A 6 H3* A 6 0.324 -9.345 -0.379 60 H2* A 6 H2* A 6 0.614 -11.534 0.428 61 2HO* A 6 HO2* A 6 1.735 -11.407 2.260 62 H1* A 6 H1* A 6 -1.533 -11.549 2.247 63 H8 A 6 H8 A 6 -2.656 -10.477 -1.171 64 1H6 A 6 1H6 A 6 -2.793 -16.410 -2.786 65 2H6 A 6 2H6 A 6 -3.218 -14.782 -3.261 66 H2 A 6 H2 A 6 -0.790 -16.106 1.232 67 1H5* C 7 2H5* C 7 3.434 -10.212 3.266 68 2H5* C 7 1H5* C 7 4.976 -10.000 2.412 69 H4* C 7 H4* C 7 4.847 -12.077 3.843 70 H3* C 7 H3* C 7 5.448 -12.100 0.880 71 H2* C 7 H2* C 7 5.535 -14.474 0.862 72 2HO* C 7 HO2* C 7 6.596 -14.279 3.156 73 H1* C 7 H1* C 7 3.368 -14.979 2.350 74 1H4 C 7 1H4 C 7 1.211 -14.692 -3.615 75 2H4 C 7 2H4 C 7 1.088 -12.951 -3.510 76 H5 C 7 H5 C 7 1.862 -11.686 -1.605 77 H6 C 7 H6 C 7 2.916 -11.823 0.605 78 1H5* C 8 2H5* C 8 7.833 -15.151 2.228 79 2H5* C 8 1H5* C 8 9.520 -14.737 1.862 80 H4* C 8 H4* C 8 9.242 -16.881 0.915 81 H3* C 8 H3* C 8 8.825 -14.719 -1.191 82 H2* C 8 H2* C 8 8.629 -16.476 -2.797 83 2HO* C 8 HO2* C 8 8.900 -18.741 -1.636 84 H1* C 8 H1* C 8 7.037 -18.096 -1.276 85 1H4 C 8 1H4 C 8 3.010 -14.712 -4.838 86 2H4 C 8 2H4 C 8 3.351 -13.261 -3.923 87 H5 C 8 H5 C 8 4.988 -13.172 -2.157 88 H6 C 8 H6 C 8 6.649 -14.452 -0.891 89 1H5* A 9 2H5* A 9 11.979 -17.381 -3.114 90 2H5* A 9 1H5* A 9 12.899 -16.182 -4.043 91 H4* A 9 H4* A 9 11.806 -18.025 -5.416 92 H3* A 9 H3* A 9 11.252 -15.072 -5.899 93 H2* A 9 H2* A 9 9.894 -15.670 -7.723 94 2HO* A 9 HO2* A 9 10.456 -18.357 -7.884 95 H1* A 9 H1* A 9 8.943 -18.108 -6.679 96 H8 A 9 H8 A 9 8.514 -15.102 -4.408 97 1H6 A 9 1H6 A 9 3.281 -13.916 -7.428 98 2H6 A 9 2H6 A 9 4.274 -13.485 -6.053 99 H2 A 9 H2 A 9 5.425 -17.212 -9.602 100 1H5* U 10 2H5* U 10 12.632 -17.327 -9.811 101 2H5* U 10 1H5* U 10 13.486 -16.040 -10.687 102 H4* U 10 H4* U 10 11.625 -17.252 -11.969 103 H3* U 10 H3* U 10 11.874 -14.255 -11.634 104 H2* U 10 H2* U 10 9.864 -13.900 -12.813 105 2HO* U 10 HO2* U 10 9.428 -16.559 -13.533 106 H1* U 10 H1* U 10 8.395 -15.959 -11.791 107 H3 U 10 H3 U 10 6.536 -12.229 -10.017 108 H5 U 10 H5 U 10 10.128 -12.698 -7.881 109 H6 U 10 H6 U 10 10.723 -14.499 -9.392 110 1H5* G 11 2H5* G 11 10.636 -15.741 -15.829 111 2H5* G 11 1H5* G 11 11.296 -14.557 -16.974 112 H4* G 11 H4* G 11 8.748 -15.061 -17.068 113 H3* G 11 H3* G 11 10.020 -12.304 -16.985 114 H2* G 11 H2* G 11 7.891 -11.316 -17.025 115 2HO* G 11 HO2* G 11 6.866 -13.816 -17.963 116 H1* G 11 H1* G 11 6.485 -13.361 -15.675 117 H8 G 11 H8 G 11 9.483 -12.047 -13.797 118 H1 G 11 H1 G 11 4.318 -8.383 -13.099 119 1H2 G 11 1H2 G 11 2.747 -9.004 -14.533 120 2H2 G 11 2H2 G 11 2.972 -10.321 -15.662 121 1H5* U 12 2H5* U 12 6.815 -13.654 -20.085 122 2H5* U 12 1H5* U 12 6.900 -12.622 -21.526 123 H4* U 12 H4* U 12 4.578 -12.946 -20.498 124 H3* U 12 H3* U 12 5.863 -10.266 -21.094 125 H2* U 12 H2* U 12 3.937 -9.151 -20.273 126 2HO* U 12 HO2* U 12 2.469 -11.478 -19.773 127 H1* U 12 H1* U 12 3.506 -10.668 -18.086 128 H3 U 12 H3 U 12 5.109 -6.714 -16.550 129 H5 U 12 H5 U 12 8.516 -8.736 -17.984 130 H6 U 12 H6 U 12 7.049 -10.453 -18.865 131 1H5* U 13 2H5* U 13 1.617 -10.489 -21.810 132 2H5* U 13 1H5* U 13 1.154 -9.491 -23.204 133 H4* U 13 H4* U 13 0.060 -8.968 -20.907 134 H3* U 13 H3* U 13 1.340 -6.967 -22.795 135 H2* U 13 H2* U 13 0.839 -5.227 -21.290 136 2HO* U 13 HO2* U 13 -0.855 -7.028 -19.865 137 H1* U 13 H1* U 13 1.307 -6.555 -18.942 138 H3 U 13 H3 U 13 4.317 -3.160 -19.328 139 H5 U 13 H5 U 13 5.778 -6.184 -21.871 140 H6 U 13 H6 U 13 3.740 -7.429 -21.457 141 1H5* C 14 2H5* C 14 -2.400 -5.625 -20.735 142 2H5* C 14 1H5* C 14 -3.321 -4.653 -21.901 143 H4* C 14 H4* C 14 -2.746 -3.567 -19.624 144 H3* C 14 H3* C 14 -2.259 -2.338 -22.355 145 H2* C 14 H2* C 14 -1.341 -0.421 -21.341 146 2HO* C 14 HO2* C 14 -3.239 -0.807 -19.597 147 H1* C 14 H1* C 14 -0.106 -1.669 -19.171 148 1H4 C 14 1H4 C 14 4.406 -0.137 -23.416 149 2H4 C 14 2H4 C 14 4.035 -1.577 -24.335 150 H5 C 14 H5 C 14 2.218 -3.060 -23.794 151 H6 C 14 H6 C 14 0.358 -3.475 -22.264 152 1H5* A 15 2H5* A 15 -4.285 1.046 -24.195 153 2H5* A 15 1H5* A 15 -3.073 -0.252 -24.171 154 H4* A 15 H4* A 15 -2.621 2.427 -22.819 155 H3* A 15 H3* A 15 -2.357 1.653 -25.716 156 H2* A 15 H2* A 15 -0.164 2.443 -25.876 157 2HO* A 15 HO2* A 15 -1.164 4.398 -24.400 158 H1* A 15 H1* A 15 0.700 2.060 -23.243 159 H8 A 15 H8 A 15 -0.694 -1.156 -24.467 160 1H6 A 15 1H6 A 15 4.624 -2.140 -27.416 161 2H6 A 15 2H6 A 15 3.118 -2.862 -26.895 162 H2 A 15 H2 A 15 4.564 2.139 -26.039 163 1H5* G 16 2H5* G 16 -0.763 5.647 -26.257 164 2H5* G 16 1H5* G 16 -1.451 6.057 -27.840 165 H4* G 16 H4* G 16 1.130 5.632 -27.620 166 H3* G 16 H3* G 16 -0.664 5.440 -29.787 167 H2* G 16 H2* G 16 -0.766 3.061 -29.814 168 2HO* G 16 HO2* G 16 0.707 2.343 -31.370 169 H1* G 16 H1* G 16 2.147 2.963 -28.981 170 H8 G 16 H8 G 16 2.686 0.469 -28.687 171 H1 G 16 H1 G 16 -3.411 -1.184 -27.808 172 1H2 G 16 1H2 G 16 -4.697 0.621 -27.844 173 2H2 G 16 2H2 G 16 -4.053 2.230 -28.081 174 1H5* A 17 2H5* A 17 2.440 9.636 -30.188 175 2H5* A 17 1H5* A 17 3.862 8.860 -30.914 176 H4* A 17 H4* A 17 5.098 9.818 -29.296 177 H3* A 17 H3* A 17 3.752 7.565 -27.968 178 H2* A 17 H2* A 17 3.456 8.456 -25.858 179 2HO* A 17 HO2* A 17 5.355 10.491 -26.037 180 H1* A 17 H1* A 17 3.408 11.168 -26.270 181 H8 A 17 H8 A 17 1.356 8.613 -28.342 182 1H6 A 17 1H6 A 17 -3.320 10.052 -24.589 183 2H6 A 17 2H6 A 17 -2.845 9.113 -25.987 184 H2 A 17 H2 A 17 0.319 12.294 -23.215 185 1H5* A 18 2H5* A 18 7.598 10.922 -25.585 186 2H5* A 18 1H5* A 18 8.922 9.848 -25.093 187 H4* A 18 H4* A 18 7.613 10.774 -23.165 188 H3* A 18 H3* A 18 7.988 7.843 -23.697 189 H2* A 18 H2* A 18 6.442 7.169 -22.058 190 2HO* A 18 HO2* A 18 7.348 9.406 -20.833 191 H1* A 18 H1* A 18 4.537 9.102 -22.333 192 H8 A 18 H8 A 18 6.413 7.427 -25.291 193 1H6 A 18 1H6 A 18 1.373 3.960 -25.961 194 2H6 A 18 2H6 A 18 2.961 4.322 -26.598 195 H2 A 18 H2 A 18 0.750 6.651 -22.412 196 1H5* G 19 2H5* G 19 9.720 8.848 -19.696 197 2H5* G 19 1H5* G 19 10.681 7.560 -18.943 198 H4* G 19 H4* G 19 8.183 7.801 -18.246 199 H3* G 19 H3* G 19 9.623 5.249 -19.026 200 H2* G 19 H2* G 19 7.644 4.021 -18.874 201 2HO* G 19 HO2* G 19 6.240 6.002 -17.442 202 H1* G 19 H1* G 19 5.806 6.099 -19.462 203 H8 G 19 H8 G 19 8.280 5.644 -22.225 204 H1 G 19 H1 G 19 3.884 1.025 -22.178 205 1H2 G 19 1H2 G 19 2.691 1.132 -20.319 206 2H2 G 19 2H2 G 19 2.978 2.337 -19.084 207 1H5* A 20 2H5* A 20 7.713 5.798 -14.605 208 2H5* A 20 1H5* A 20 8.274 4.474 -13.564 209 H4* A 20 H4* A 20 5.738 5.016 -13.587 210 H3* A 20 H3* A 20 7.108 2.358 -13.686 211 H2* A 20 H2* A 20 5.217 1.156 -14.342 212 2HO* A 20 HO2* A 20 3.349 1.577 -13.442 213 H1* A 20 H1* A 20 3.920 2.971 -15.917 214 H8 A 20 H8 A 20 7.517 3.135 -16.878 215 1H6 A 20 1H6 A 20 6.741 -2.110 -20.022 216 2H6 A 20 2H6 A 20 7.824 -0.771 -19.714 217 H2 A 20 H2 A 20 3.075 -1.425 -17.511 218 1H5* A 21 2H5* A 21 2.837 2.581 -11.464 219 2H5* A 21 1H5* A 21 3.080 1.464 -10.106 220 H4* A 21 H4* A 21 0.956 1.168 -11.574 221 H3* A 21 H3* A 21 2.853 -0.935 -10.563 222 H2* A 21 H2* A 21 1.923 -2.635 -11.888 223 2HO* A 21 HO2* A 21 -0.153 -2.508 -12.742 224 H1* A 21 H1* A 21 1.390 -1.267 -14.167 225 H8 A 21 H8 A 21 4.705 -0.160 -12.725 226 1H6 A 21 1H6 A 21 7.227 -5.034 -15.524 227 2H6 A 21 2H6 A 21 7.553 -3.555 -14.652 228 H2 A 21 H2 A 21 2.759 -5.404 -15.835 229 1H5* C 22 2H5* C 22 -1.616 -2.182 -11.013 230 2H5* C 22 1H5* C 22 -1.894 -3.443 -9.796 231 H4* C 22 H4* C 22 -2.385 -4.005 -12.290 232 H3* C 22 H3* C 22 -0.818 -5.698 -10.318 233 H2* C 22 H2* C 22 -0.454 -7.333 -12.010 234 2HO* C 22 HO2* C 22 -1.541 -6.587 -14.203 235 H1* C 22 H1* C 22 0.264 -5.643 -13.989 236 1H4 C 22 1H4 C 22 5.626 -7.047 -10.836 237 2H4 C 22 2H4 C 22 5.250 -5.842 -9.624 238 H5 C 22 H5 C 22 3.190 -4.600 -9.594 239 H6 C 22 H6 C 22 1.043 -4.237 -10.721 240 1H5* G 23 2H5* G 23 -3.212 -8.054 -13.238 241 2H5* G 23 1H5* G 23 -3.843 -9.441 -12.331 242 H4* G 23 H4* G 23 -2.403 -9.911 -14.443 243 H3* G 23 H3* G 23 -2.030 -11.192 -11.710 244 H2* G 23 H2* G 23 -0.246 -12.437 -12.567 245 2HO* G 23 HO2* G 23 -0.208 -12.139 -15.167 246 H1* G 23 H1* G 23 0.659 -10.591 -14.463 247 H8 G 23 H8 G 23 0.523 -9.026 -11.083 248 H1 G 23 H1 G 23 5.424 -13.062 -11.680 249 1H2 G 23 1H2 G 23 5.206 -14.247 -13.534 250 2H2 G 23 2H2 G 23 3.852 -14.046 -14.623 251 1H5* U 24 2H5* U 24 -1.321 -14.052 -15.269 252 2H5* U 24 1H5* U 24 -2.454 -15.345 -14.831 253 H4* U 24 H4* U 24 -0.280 -16.297 -15.449 254 H3* U 24 H3* U 24 -1.142 -16.483 -12.543 255 H2* U 24 H2* U 24 0.830 -17.743 -12.078 256 2HO* U 24 HO2* U 24 0.995 -19.127 -13.795 257 H1* U 24 H1* U 24 2.565 -16.169 -13.458 258 H3 U 24 H3 U 24 3.408 -15.007 -9.189 259 H5 U 24 H5 U 24 -0.358 -13.287 -9.979 260 H6 U 24 H6 U 24 -0.360 -14.443 -12.116 261 1H5* G 25 2H5* G 25 -0.533 -20.857 -13.209 262 2H5* G 25 1H5* G 25 -1.802 -21.513 -12.159 263 H4* G 25 H4* G 25 0.675 -21.974 -11.522 264 H3* G 25 H3* G 25 -1.640 -21.172 -9.801 265 H2* G 25 H2* G 25 -0.360 -20.312 -8.107 266 2HO* G 25 HO2* G 25 1.854 -21.670 -7.936 267 H1* G 25 H1* G 25 2.257 -20.457 -9.409 268 H8 G 25 H8 G 25 -0.184 -17.659 -10.156 269 H1 G 25 H1 G 25 3.548 -16.525 -5.103 270 1H2 G 25 1H2 G 25 4.700 -18.343 -4.595 271 2H2 G 25 2H2 G 25 4.549 -19.834 -5.497 272 1H5* G 26 2H5* G 26 1.497 -24.075 -7.801 273 2H5* G 26 1H5* G 26 0.448 -25.376 -7.207 274 H4* G 26 H4* G 26 1.887 -25.100 -5.399 275 H3* G 26 H3* G 26 -0.517 -23.282 -5.003 276 H2* G 26 H2* G 26 0.430 -22.525 -2.969 277 2HO* G 26 HO2* G 26 2.601 -24.274 -2.941 278 H1* G 26 H1* G 26 3.070 -22.441 -3.792 279 H8 G 26 H8 G 26 0.704 -21.038 -6.365 280 H1 G 26 H1 G 26 2.165 -16.863 -1.791 281 1H2 G 26 1H2 G 26 3.242 -17.892 -0.148 282 2H2 G 26 2H2 G 26 3.602 -19.602 -0.185 283 1H5* U 27 2H5* U 27 1.081 -24.941 -1.220 284 2H5* U 27 1H5* U 27 -0.307 -25.814 -0.540 285 H4* U 27 H4* U 27 0.713 -24.464 1.210 286 H3* U 27 H3* U 27 -1.980 -23.533 0.155 287 H2* U 27 H2* U 27 -1.953 -21.748 1.716 288 2HO* U 27 HO2* U 27 0.205 -21.968 3.158 289 H1* U 27 H1* U 27 0.687 -21.073 1.467 290 H3 U 27 H3 U 27 -1.256 -17.570 -0.544 291 H5 U 27 H5 U 27 -2.199 -20.786 -3.100 292 H6 U 27 H6 U 27 -1.158 -22.279 -1.496 293 1H5* A 28 2H5* A 28 -1.398 -22.733 4.507 294 2H5* A 28 1H5* A 28 -2.877 -23.376 5.242 295 H4* A 28 H4* A 28 -2.371 -21.007 5.907 296 H3* A 28 H3* A 28 -4.927 -21.791 4.482 297 H2* A 28 H2* A 28 -5.602 -19.572 4.353 298 2HO* A 28 HO2* A 28 -5.086 -18.058 5.906 299 H1* A 28 H1* A 28 -3.058 -18.328 4.451 300 H8 A 28 H8 A 28 -3.860 -20.760 1.633 301 1H6 A 28 1H6 A 28 -5.763 -15.862 -1.572 302 2H6 A 28 2H6 A 28 -5.415 -17.574 -1.637 303 H2 A 28 H2 A 28 -4.919 -14.522 2.645 304 1H5* U 29 2H5* U 29 -4.860 -18.948 8.058 305 2H5* U 29 1H5* U 29 -6.108 -19.539 9.173 306 H4* U 29 H4* U 29 -6.279 -17.171 9.258 307 H3* U 29 H3* U 29 -8.357 -18.421 7.423 308 H2* U 29 H2* U 29 -9.262 -16.241 7.068 309 2HO* U 29 HO2* U 29 -8.109 -14.451 8.319 310 H1* U 29 H1* U 29 -6.896 -14.969 6.675 311 H3 U 29 H3 U 29 -8.606 -15.314 2.498 312 H5 U 29 H5 U 29 -7.481 -19.258 3.450 313 H6 U 29 H6 U 29 -6.942 -18.499 5.693 314 1H5* C 30 2H5* C 30 -9.888 -15.189 9.529 315 2H5* C 30 1H5* C 30 -11.597 -15.430 9.939 316 H4* C 30 H4* C 30 -11.037 -13.438 8.410 317 H3* C 30 H3* C 30 -13.073 -15.580 7.657 318 H2* C 30 H2* C 30 -13.612 -14.241 5.783 319 2HO* C 30 HO2* C 30 -13.234 -12.071 5.700 320 H1* C 30 H1* C 30 -11.014 -13.328 5.298 321 1H4 C 30 1H4 C 30 -12.506 -17.630 0.841 322 2H4 C 30 2H4 C 30 -11.959 -18.911 1.897 323 H5 C 30 H5 C 30 -11.271 -18.539 4.177 324 H6 C 30 H6 C 30 -10.970 -16.858 5.934 325 1H5* U 31 2H5* U 31 -14.654 -11.681 6.690 326 2H5* U 31 1H5* U 31 -16.363 -11.737 7.160 327 H4* U 31 H4* U 31 -15.966 -11.180 4.728 328 H3* U 31 H3* U 31 -17.601 -13.582 5.604 329 H2* U 31 H2* U 31 -17.868 -14.237 3.401 330 2HO* U 31 HO2* U 31 -18.678 -11.871 3.086 331 H1* U 31 H1* U 31 -15.626 -12.795 2.293 332 H3 U 31 H3 U 31 -15.649 -16.858 0.248 333 H5 U 31 H5 U 31 -14.696 -17.709 4.246 334 H6 U 31 H6 U 31 -15.093 -15.381 4.778 335 1H5* C 32 2H5* C 32 -19.888 -10.659 2.493 336 2H5* C 32 1H5* C 32 -21.580 -11.000 2.904 337 H4* C 32 H4* C 32 -20.862 -11.239 0.422 338 H3* C 32 H3* C 32 -22.335 -13.348 2.026 339 H2* C 32 H2* C 32 -22.436 -14.714 0.150 340 2HO* C 32 HO2* C 32 -23.331 -13.269 -1.310 341 H1* C 32 H1* C 32 -20.022 -13.812 -1.047 342 1H4 C 32 1H4 C 32 -19.187 -19.864 0.774 343 2H4 C 32 2H4 C 32 -18.880 -19.331 2.411 344 H5 C 32 H5 C 32 -19.109 -17.041 3.120 345 H6 C 32 H6 C 32 -19.682 -14.770 2.411 346 H3T C 32 H3T C 32 -22.917 -11.042 0.696 347 1H GLY 364 1HT GLY 364 -12.281 9.215 -17.140 348 2H GLY 364 2HT GLY 364 -12.029 9.748 -18.725 349 3H GLY 364 3HT GLY 364 -11.744 10.794 -17.427 350 1HA GLY 364 1HA GLY 364 -9.847 9.353 -18.676 351 2HA GLY 364 2HA GLY 364 -9.703 10.013 -17.054 352 H SER 365 H SER 365 -9.942 8.652 -15.266 353 HA SER 365 HA SER 365 -9.418 6.701 -14.176 354 1HB SER 365 2HB SER 365 -11.970 6.482 -15.511 355 2HB SER 365 1HB SER 365 -11.215 4.895 -15.372 356 HG SER 365 HG SER 365 -11.905 6.711 -13.323 357 H LEU 366 H LEU 366 -7.580 7.052 -16.145 358 HA LEU 366 HA LEU 366 -7.197 4.313 -17.149 359 1HB LEU 366 2HB LEU 366 -7.795 6.210 -18.845 360 2HB LEU 366 1HB LEU 366 -6.116 6.671 -18.632 361 HG LEU 366 HG LEU 366 -5.570 4.226 -19.233 362 1HD1 LEU 366 1HD1 LEU 366 -7.413 2.948 -19.353 363 2HD1 LEU 366 2HD1 LEU 366 -7.553 3.625 -20.976 364 3HD1 LEU 366 3HD1 LEU 366 -8.475 4.326 -19.646 365 1HD2 LEU 366 1HD2 LEU 366 -4.874 5.289 -21.051 366 2HD2 LEU 366 2HD2 LEU 366 -6.072 6.561 -20.805 367 3HD2 LEU 366 3HD2 LEU 366 -6.491 5.123 -21.736 368 H ASP 367 H ASP 367 -5.518 3.413 -16.189 369 HA ASP 367 HA ASP 367 -3.628 4.731 -14.617 370 1HB ASP 367 2HB ASP 367 -2.243 2.541 -15.175 371 2HB ASP 367 1HB ASP 367 -3.683 2.467 -14.164 372 H MET 368 H MET 368 -3.097 3.247 -17.795 373 HA MET 368 HA MET 368 -0.642 3.961 -18.506 374 1HB MET 368 2HB MET 368 -2.052 2.909 -20.125 375 2HB MET 368 1HB MET 368 -3.142 4.288 -20.165 376 1HG MET 368 2HG MET 368 -0.775 5.426 -20.889 377 2HG MET 368 1HG MET 368 -0.643 3.819 -21.601 378 1HE MET 368 1HE MET 368 -2.888 6.711 -20.928 379 2HE MET 368 2HE MET 368 -3.976 6.844 -22.310 380 3HE MET 368 3HE MET 368 -2.326 7.456 -22.425 381 H ASN 369 H ASN 369 -3.391 6.222 -18.753 382 HA ASN 369 HA ASN 369 -1.924 8.464 -19.566 383 1HB ASN 369 2HB ASN 369 -4.573 8.023 -18.274 384 2HB ASN 369 1HB ASN 369 -3.911 9.654 -18.238 385 1HD2 ASN 369 1HD2 ASN 369 -6.234 8.493 -19.649 386 2HD2 ASN 369 2HD2 ASN 369 -5.999 8.889 -21.313 387 H ALA 370 H ALA 370 -2.916 7.429 -16.314 388 HA ALA 370 HA ALA 370 -1.788 9.510 -14.863 389 1HB ALA 370 1HB ALA 370 -2.475 8.355 -13.080 390 2HB ALA 370 2HB ALA 370 -1.525 6.938 -13.522 391 3HB ALA 370 3HB ALA 370 -3.119 7.186 -14.232 392 H LYS 371 H LYS 371 -0.322 6.275 -14.759 393 HA LYS 371 HA LYS 371 2.133 6.703 -13.918 394 1HB LYS 371 2HB LYS 371 1.483 5.117 -16.408 395 2HB LYS 371 1HB LYS 371 2.995 4.993 -15.519 396 1HG LYS 371 2HG LYS 371 2.091 3.477 -14.192 397 2HG LYS 371 1HG LYS 371 0.871 4.643 -13.675 398 1HD LYS 371 2HD LYS 371 -0.702 3.522 -14.771 399 2HD LYS 371 1HD LYS 371 0.198 3.687 -16.280 400 1HE LYS 371 2HE LYS 371 0.692 1.554 -14.208 401 2HE LYS 371 1HE LYS 371 -0.282 1.333 -15.661 402 1HZ LYS 371 1HZ LYS 371 2.078 2.359 -16.574 403 2HZ LYS 371 2HZ LYS 371 1.602 0.738 -16.643 404 3HZ LYS 371 3HZ LYS 371 2.557 1.283 -15.357 405 H ARG 372 H ARG 372 1.138 7.460 -17.233 406 HA ARG 372 HA ARG 372 3.629 8.393 -18.127 407 1HB ARG 372 2HB ARG 372 1.137 8.036 -19.253 408 2HB ARG 372 1HB ARG 372 1.328 9.784 -19.278 409 1HG ARG 372 2HG ARG 372 2.099 8.681 -21.345 410 2HG ARG 372 1HG ARG 372 3.366 9.600 -20.530 411 1HD ARG 372 2HD ARG 372 4.109 7.380 -21.371 412 2HD ARG 372 1HD ARG 372 4.336 7.602 -19.644 413 HE ARG 372 HE ARG 372 2.171 6.010 -20.858 414 1HH1 ARG 372 1HH1 ARG 372 4.333 6.645 -18.169 415 2HH1 ARG 372 2HH1 ARG 372 3.877 5.210 -17.321 416 1HH2 ARG 372 1HH2 ARG 372 1.594 4.132 -19.725 417 2HH2 ARG 372 2HH2 ARG 372 2.332 3.791 -18.196 418 H GLN 373 H GLN 373 0.783 10.330 -17.163 419 HA GLN 373 HA GLN 373 1.833 12.823 -17.173 420 1HB GLN 373 2HB GLN 373 -0.409 11.636 -16.029 421 2HB GLN 373 1HB GLN 373 0.415 12.371 -14.659 422 1HG GLN 373 2HG GLN 373 -0.459 13.762 -17.185 423 2HG GLN 373 1HG GLN 373 -1.206 13.899 -15.594 424 1HE2 GLN 373 1HE2 GLN 373 1.312 13.928 -14.174 425 2HE2 GLN 373 2HE2 GLN 373 2.018 15.480 -14.452 426 H LEU 374 H LEU 374 2.477 10.278 -14.866 427 HA LEU 374 HA LEU 374 3.863 11.853 -12.974 428 1HB LEU 374 2HB LEU 374 4.308 8.915 -13.420 429 2HB LEU 374 1HB LEU 374 4.479 9.824 -11.932 430 HG LEU 374 HG LEU 374 2.023 8.773 -13.244 431 1HD1 LEU 374 1HD1 LEU 374 1.584 8.724 -10.603 432 2HD1 LEU 374 2HD1 LEU 374 3.348 8.702 -10.609 433 3HD1 LEU 374 3HD1 LEU 374 2.447 7.451 -11.465 434 1HD2 LEU 374 1HD2 LEU 374 2.272 11.431 -11.984 435 2HD2 LEU 374 2HD2 LEU 374 0.915 10.434 -11.453 436 3HD2 LEU 374 3HD2 LEU 374 1.100 10.831 -13.161 437 H TYR 375 H TYR 375 5.470 9.207 -14.742 438 HA TYR 375 HA TYR 375 7.923 10.748 -14.712 439 1HB TYR 375 2HB TYR 375 7.238 7.912 -15.434 440 2HB TYR 375 1HB TYR 375 8.814 8.589 -15.830 441 HD1 TYR 375 HD1 TYR 375 6.893 9.429 -12.794 442 HD2 TYR 375 HD2 TYR 375 10.127 7.187 -14.413 443 HE1 TYR 375 HE1 TYR 375 7.677 8.927 -10.518 444 HE2 TYR 375 HE2 TYR 375 10.919 6.679 -12.140 445 HH TYR 375 HH TYR 375 9.160 6.909 -9.483 446 H SER 376 H SER 376 5.714 11.579 -16.473 447 HA SER 376 HA SER 376 7.252 11.646 -18.969 448 1HB SER 376 2HB SER 376 5.557 10.887 -20.292 449 2HB SER 376 1HB SER 376 5.076 10.065 -18.808 450 HG SER 376 HG SER 376 3.718 11.872 -20.195 451 H LEU 377 H LEU 377 4.916 13.163 -16.824 452 HA LEU 377 HA LEU 377 5.151 15.637 -18.392 453 1HB LEU 377 2HB LEU 377 2.971 14.423 -16.840 454 2HB LEU 377 1HB LEU 377 3.176 16.145 -16.586 455 HG LEU 377 HG LEU 377 1.539 15.344 -18.410 456 1HD1 LEU 377 1HD1 LEU 377 2.140 17.665 -18.118 457 2HD1 LEU 377 2HD1 LEU 377 2.116 17.269 -19.836 458 3HD1 LEU 377 3HD1 LEU 377 3.654 17.413 -18.986 459 1HD2 LEU 377 1HD2 LEU 377 3.816 14.051 -19.318 460 2HD2 LEU 377 2HD2 LEU 377 3.635 15.427 -20.406 461 3HD2 LEU 377 3HD2 LEU 377 2.311 14.280 -20.207 462 H ILE 378 H ILE 378 5.744 14.201 -15.240 463 HA ILE 378 HA ILE 378 6.921 16.770 -14.410 464 HB ILE 378 HB ILE 378 5.602 14.856 -12.494 465 1HG1 ILE 378 2HG1 ILE 378 3.901 15.669 -14.035 466 2HG1 ILE 378 1HG1 ILE 378 3.705 16.440 -12.463 467 1HG2 ILE 378 1HG2 ILE 378 7.372 16.855 -12.016 468 2HG2 ILE 378 2HG2 ILE 378 6.147 16.312 -10.868 469 3HG2 ILE 378 3HG2 ILE 378 5.840 17.720 -11.886 470 1HD1 ILE 378 1HD1 ILE 378 4.007 18.472 -13.317 471 2HD1 ILE 378 2HD1 ILE 378 3.790 17.712 -14.894 472 3HD1 ILE 378 3HD1 ILE 378 5.413 17.963 -14.252 473 H GLY 379 H GLY 379 6.808 13.371 -13.318 474 1HA GLY 379 2HA GLY 379 9.035 13.050 -11.911 475 2HA GLY 379 1HA GLY 379 8.582 11.869 -13.129 476 H TYR 380 H TYR 380 10.845 14.228 -12.183 477 HA TYR 380 HA TYR 380 12.246 13.965 -14.762 478 1HB TYR 380 2HB TYR 380 13.385 16.087 -14.206 479 2HB TYR 380 1HB TYR 380 11.638 16.277 -14.311 480 HD1 TYR 380 HD1 TYR 380 14.329 15.661 -11.796 481 HD2 TYR 380 HD2 TYR 380 10.524 17.383 -12.609 482 HE1 TYR 380 HE1 TYR 380 14.309 16.663 -9.550 483 HE2 TYR 380 HE2 TYR 380 10.494 18.390 -10.365 484 HH TYR 380 HH TYR 380 11.610 17.842 -8.088 485 H ALA 381 H ALA 381 14.725 14.460 -14.354 486 HA ALA 381 HA ALA 381 15.720 12.255 -12.898 487 1HB ALA 381 1HB ALA 381 17.254 14.621 -13.963 488 2HB ALA 381 2HB ALA 381 16.847 13.169 -14.878 489 3HB ALA 381 3HB ALA 381 17.928 13.063 -13.488 490 H SER 382 H SER 382 15.968 12.073 -10.789 491 HA SER 382 HA SER 382 16.658 12.545 -8.654 492 1HB SER 382 2HB SER 382 18.362 14.056 -9.779 493 2HB SER 382 1HB SER 382 17.222 15.378 -9.530 494 HG SER 382 HG SER 382 18.761 15.199 -7.832 495 H LEU 383 H LEU 383 13.993 12.589 -9.316 496 HA LEU 383 HA LEU 383 12.857 14.973 -8.058 497 1HB LEU 383 2HB LEU 383 11.997 13.682 -10.213 498 2HB LEU 383 1HB LEU 383 11.161 12.718 -9.008 499 HG LEU 383 HG LEU 383 10.764 15.595 -9.728 500 1HD1 LEU 383 1HD1 LEU 383 8.382 14.314 -9.035 501 2HD1 LEU 383 2HD1 LEU 383 9.315 13.120 -9.939 502 3HD1 LEU 383 3HD1 LEU 383 8.964 14.693 -10.656 503 1HD2 LEU 383 1HD2 LEU 383 9.355 15.784 -7.660 504 2HD2 LEU 383 2HD2 LEU 383 11.096 15.763 -7.379 505 3HD2 LEU 383 3HD2 LEU 383 10.137 14.315 -7.075 506 H ARG 384 H ARG 384 13.005 11.464 -7.646 507 HA ARG 384 HA ARG 384 13.024 10.263 -5.681 508 1HB ARG 384 2HB ARG 384 13.672 12.538 -4.619 509 2HB ARG 384 1HB ARG 384 11.977 12.632 -4.161 510 1HG ARG 384 2HG ARG 384 13.469 11.728 -2.393 511 2HG ARG 384 1HG ARG 384 12.147 10.649 -2.844 512 1HD ARG 384 2HD ARG 384 14.779 10.369 -4.217 513 2HD ARG 384 1HD ARG 384 14.601 9.747 -2.577 514 HE ARG 384 HE ARG 384 12.448 8.776 -4.004 515 1HH1 ARG 384 1HH1 ARG 384 15.921 8.555 -4.173 516 2HH1 ARG 384 2HH1 ARG 384 15.914 6.973 -4.880 517 1HH2 ARG 384 1HH2 ARG 384 12.430 6.694 -4.932 518 2HH2 ARG 384 2HH2 ARG 384 13.930 5.916 -5.311 519 H LEU 385 H LEU 385 10.488 11.812 -7.176 520 HA LEU 385 HA LEU 385 8.208 11.512 -5.812 521 1HB LEU 385 2HB LEU 385 8.599 11.955 -8.347 522 2HB LEU 385 1HB LEU 385 8.346 10.227 -8.511 523 HG LEU 385 HG LEU 385 6.322 11.936 -7.099 524 1HD1 LEU 385 1HD1 LEU 385 5.336 12.657 -9.009 525 2HD1 LEU 385 2HD1 LEU 385 5.926 11.296 -9.963 526 3HD1 LEU 385 3HD1 LEU 385 7.008 12.631 -9.569 527 1HD2 LEU 385 1HD2 LEU 385 6.014 9.404 -8.701 528 2HD2 LEU 385 2HD2 LEU 385 4.819 10.169 -7.655 529 3HD2 LEU 385 3HD2 LEU 385 6.265 9.441 -6.956 530 H HIS 386 H HIS 386 7.105 10.011 -4.763 531 HA HIS 386 HA HIS 386 7.301 7.231 -5.492 532 1HB HIS 386 2HB HIS 386 8.492 6.351 -3.717 533 2HB HIS 386 1HB HIS 386 9.388 7.825 -4.068 534 HD1 HIS 386 HD1 HIS 386 9.760 9.356 -2.146 535 HD2 HIS 386 HD2 HIS 386 6.654 6.687 -1.442 536 HE1 HIS 386 HE1 HIS 386 9.081 9.730 0.247 537 HE2 HIS 386 HE2 HIS 386 7.201 8.102 0.652 538 H TYR 387 H TYR 387 5.810 5.907 -4.588 539 HA TYR 387 HA TYR 387 3.673 7.238 -3.073 540 1HB TYR 387 2HB TYR 387 3.657 4.794 -4.853 541 2HB TYR 387 1HB TYR 387 2.284 5.283 -3.865 542 HD1 TYR 387 HD1 TYR 387 0.648 6.521 -4.890 543 HD2 TYR 387 HD2 TYR 387 4.629 6.776 -6.354 544 HE1 TYR 387 HE1 TYR 387 -0.120 8.012 -6.677 545 HE2 TYR 387 HE2 TYR 387 3.885 8.271 -8.148 546 HH TYR 387 HH TYR 387 1.988 9.846 -8.569 547 H VAL 388 H VAL 388 2.924 6.354 -1.166 548 HA VAL 388 HA VAL 388 4.428 4.026 -0.178 549 HB VAL 388 HB VAL 388 3.608 5.354 2.102 550 1HG1 VAL 388 1HG1 VAL 388 6.305 5.662 0.801 551 2HG1 VAL 388 2HG1 VAL 388 5.745 4.140 1.501 552 3HG1 VAL 388 3HG1 VAL 388 5.926 5.569 2.523 553 1HG2 VAL 388 1HG2 VAL 388 3.146 7.306 0.511 554 2HG2 VAL 388 2HG2 VAL 388 4.898 7.420 0.340 555 3HG2 VAL 388 3HG2 VAL 388 4.150 7.631 1.924 556 H THR 389 H THR 389 3.258 2.344 0.311 557 HA THR 389 HA THR 389 0.395 2.473 0.266 558 HB THR 389 HB THR 389 2.078 0.503 -0.411 559 HG1 THR 389 HG1 THR 389 0.269 -0.637 -0.711 560 1HG2 THR 389 1HG2 THR 389 2.887 0.005 1.806 561 2HG2 THR 389 2HG2 THR 389 1.879 -1.334 1.255 562 3HG2 THR 389 3HG2 THR 389 1.239 -0.166 2.414 563 H VAL 390 H VAL 390 -0.981 2.618 1.927 564 HA VAL 390 HA VAL 390 -0.019 1.998 4.613 565 HB VAL 390 HB VAL 390 -0.995 4.063 5.542 566 1HG1 VAL 390 1HG1 VAL 390 1.441 3.803 4.845 567 2HG1 VAL 390 2HG1 VAL 390 0.847 5.447 5.079 568 3HG1 VAL 390 3HG1 VAL 390 1.030 4.799 3.449 569 1HG2 VAL 390 1HG2 VAL 390 -1.629 4.537 2.680 570 2HG2 VAL 390 2HG2 VAL 390 -1.204 5.926 3.680 571 3HG2 VAL 390 3HG2 VAL 390 -2.571 4.900 4.127 572 H LYS 391 H LYS 391 -1.571 1.351 6.029 573 HA LYS 391 HA LYS 391 -3.711 0.924 6.829 574 1HB LYS 391 2HB LYS 391 -4.576 2.550 5.076 575 2HB LYS 391 1HB LYS 391 -4.749 1.161 4.015 576 1HG LYS 391 2HG LYS 391 -6.844 1.813 5.165 577 2HG LYS 391 1HG LYS 391 -6.344 0.151 5.487 578 1HD LYS 391 2HD LYS 391 -6.106 0.540 7.677 579 2HD LYS 391 1HD LYS 391 -5.251 2.058 7.398 580 1HE LYS 391 2HE LYS 391 -7.554 3.020 6.812 581 2HE LYS 391 1HE LYS 391 -8.207 1.570 7.573 582 1HZ LYS 391 1HZ LYS 391 -6.223 3.156 9.038 583 2HZ LYS 391 2HZ LYS 391 -7.499 2.218 9.630 584 3HZ LYS 391 3HZ LYS 391 -7.811 3.734 8.948 585 H LYS 392 H LYS 392 -1.948 -0.947 6.581 586 HA LYS 392 HA LYS 392 -1.856 -2.984 4.907 587 1HB LYS 392 2HB LYS 392 -2.284 -3.256 7.883 588 2HB LYS 392 1HB LYS 392 -1.734 -4.561 6.843 589 1HG LYS 392 2HG LYS 392 -0.188 -2.061 6.679 590 2HG LYS 392 1HG LYS 392 -0.088 -2.936 8.208 591 1HD LYS 392 2HD LYS 392 1.491 -4.173 7.219 592 2HD LYS 392 1HD LYS 392 0.169 -4.932 6.331 593 1HE LYS 392 2HE LYS 392 0.588 -3.742 4.416 594 2HE LYS 392 1HE LYS 392 1.304 -2.387 5.287 595 1HZ LYS 392 1HZ LYS 392 2.537 -4.906 4.431 596 2HZ LYS 392 2HZ LYS 392 3.122 -4.163 5.834 597 3HZ LYS 392 3HZ LYS 392 3.148 -3.329 4.363 598 HA PRO 393 HA PRO 393 -6.171 -3.809 3.905 599 1HB PRO 393 2HB PRO 393 -5.287 -6.247 2.691 600 2HB PRO 393 1HB PRO 393 -5.850 -4.773 1.913 601 1HG PRO 393 2HG PRO 393 -3.118 -5.728 2.333 602 2HG PRO 393 1HG PRO 393 -3.713 -4.500 1.208 603 1HD PRO 393 2HD PRO 393 -2.213 -3.943 3.416 604 2HD PRO 393 1HD PRO 393 -3.367 -2.798 2.704 605 H THR 394 H THR 394 -7.678 -5.413 4.336 606 HA THR 394 HA THR 394 -6.878 -7.398 6.376 607 HB THR 394 HB THR 394 -8.766 -6.940 7.725 608 HG1 THR 394 HG1 THR 394 -10.114 -4.994 6.808 609 1HG2 THR 394 1HG2 THR 394 -6.862 -5.267 7.773 610 2HG2 THR 394 2HG2 THR 394 -8.400 -4.716 8.436 611 3HG2 THR 394 3HG2 THR 394 -7.901 -4.202 6.824 612 H ALA 395 H ALA 395 -8.314 -9.226 6.634 613 HA ALA 395 HA ALA 395 -9.353 -10.129 4.077 614 1HB ALA 395 1HB ALA 395 -9.766 -12.007 6.217 615 2HB ALA 395 2HB ALA 395 -8.107 -11.410 6.221 616 3HB ALA 395 3HB ALA 395 -8.770 -12.157 4.768 617 H VAL 396 H VAL 396 -10.623 -8.127 6.047 618 HA VAL 396 HA VAL 396 -13.340 -9.149 5.742 619 HB VAL 396 HB VAL 396 -14.039 -8.565 7.915 620 1HG1 VAL 396 1HG1 VAL 396 -13.042 -10.208 9.097 621 2HG1 VAL 396 2HG1 VAL 396 -11.421 -9.578 8.809 622 3HG1 VAL 396 3HG1 VAL 396 -12.230 -10.532 7.566 623 1HG2 VAL 396 1HG2 VAL 396 -13.230 -6.612 8.669 624 2HG2 VAL 396 2HG2 VAL 396 -11.677 -6.833 7.863 625 3HG2 VAL 396 3HG2 VAL 396 -11.980 -7.605 9.420 626 H ASP 397 H ASP 397 -11.296 -7.139 4.672 627 HA ASP 397 HA ASP 397 -12.880 -5.259 3.531 628 1HB ASP 397 2HB ASP 397 -12.568 -4.671 6.320 629 2HB ASP 397 1HB ASP 397 -11.704 -3.448 5.393 630 HA PRO 398 HA PRO 398 -8.263 -5.986 2.562 631 1HB PRO 398 2HB PRO 398 -9.693 -5.719 -0.055 632 2HB PRO 398 1HB PRO 398 -8.334 -6.760 0.379 633 1HG PRO 398 2HG PRO 398 -10.811 -7.731 0.226 634 2HG PRO 398 1HG PRO 398 -9.674 -8.294 1.463 635 1HD PRO 398 2HD PRO 398 -12.057 -6.562 1.737 636 2HD PRO 398 1HD PRO 398 -11.281 -7.617 2.931 637 H ASN 399 H ASN 399 -10.699 -3.722 1.428 638 HA ASN 399 HA ASN 399 -9.530 -1.899 -0.020 639 1HB ASN 399 2HB ASN 399 -10.817 -0.136 1.099 640 2HB ASN 399 1HB ASN 399 -11.768 -1.608 0.922 641 1HD2 ASN 399 1HD2 ASN 399 -9.635 0.036 3.212 642 2HD2 ASN 399 2HD2 ASN 399 -10.496 -0.453 4.625 643 H SER 400 H SER 400 -7.796 -0.661 -0.082 644 HA SER 400 HA SER 400 -6.473 0.126 2.416 645 1HB SER 400 2HB SER 400 -5.257 -1.843 1.600 646 2HB SER 400 1HB SER 400 -5.070 -1.088 0.017 647 HG SER 400 HG SER 400 -3.557 0.204 0.791 648 H ILE 401 H ILE 401 -4.788 1.889 1.969 649 HA ILE 401 HA ILE 401 -5.729 3.547 -0.283 650 HB ILE 401 HB ILE 401 -6.460 4.345 2.002 651 1HG1 ILE 401 2HG1 ILE 401 -4.662 6.336 0.631 652 2HG1 ILE 401 1HG1 ILE 401 -6.138 5.753 -0.133 653 1HG2 ILE 401 1HG2 ILE 401 -3.775 3.919 2.598 654 2HG2 ILE 401 2HG2 ILE 401 -4.994 4.667 3.632 655 3HG2 ILE 401 3HG2 ILE 401 -3.980 5.671 2.595 656 1HD1 ILE 401 1HD1 ILE 401 -7.110 7.480 0.882 657 2HD1 ILE 401 2HD1 ILE 401 -5.770 7.692 2.009 658 3HD1 ILE 401 3HD1 ILE 401 -7.021 6.495 2.342 659 H VAL 402 H VAL 402 -4.193 5.191 -1.002 660 HA VAL 402 HA VAL 402 -1.384 4.379 -0.640 661 HB VAL 402 HB VAL 402 -1.999 5.515 -3.275 662 1HG1 VAL 402 1HG1 VAL 402 0.136 4.386 -2.374 663 2HG1 VAL 402 2HG1 VAL 402 -0.390 4.022 -4.018 664 3HG1 VAL 402 3HG1 VAL 402 -0.704 2.873 -2.717 665 1HG2 VAL 402 1HG2 VAL 402 -3.972 4.326 -3.396 666 2HG2 VAL 402 2HG2 VAL 402 -3.386 3.037 -2.343 667 3HG2 VAL 402 3HG2 VAL 402 -2.816 3.142 -4.008 668 H GLU 403 H GLU 403 0.136 6.019 -0.634 669 HA GLU 403 HA GLU 403 -0.953 8.749 -0.599 670 1HB GLU 403 2HB GLU 403 0.860 7.313 1.173 671 2HB GLU 403 1HB GLU 403 1.558 8.821 0.597 672 1HG GLU 403 2HG GLU 403 0.012 10.113 1.670 673 2HG GLU 403 1HG GLU 403 -1.228 8.861 1.625 674 H CYS 404 H CYS 404 -0.282 10.074 -2.152 675 HA CYS 404 HA CYS 404 2.026 9.239 -3.777 676 1HB CYS 404 2HB CYS 404 -0.015 9.421 -5.081 677 2HB CYS 404 1HB CYS 404 -0.307 11.043 -4.463 678 HG CYS 404 HG CYS 404 1.296 10.415 -6.878 679 H ARG 405 H ARG 405 3.822 10.222 -3.044 680 HA ARG 405 HA ARG 405 3.770 13.120 -2.873 681 1HB ARG 405 2HB ARG 405 4.846 13.178 -0.682 682 2HB ARG 405 1HB ARG 405 3.282 12.382 -0.582 683 1HG ARG 405 2HG ARG 405 4.192 10.333 -0.148 684 2HG ARG 405 1HG ARG 405 5.697 10.701 -0.991 685 1HD ARG 405 2HD ARG 405 6.655 11.226 0.938 686 2HD ARG 405 1HD ARG 405 5.463 12.496 1.190 687 HE ARG 405 HE ARG 405 5.332 9.755 2.229 688 1HH1 ARG 405 1HH1 ARG 405 4.048 13.006 2.151 689 2HH1 ARG 405 2HH1 ARG 405 3.037 12.768 3.533 690 1HH2 ARG 405 1HH2 ARG 405 3.997 9.449 4.043 691 2HH2 ARG 405 2HH2 ARG 405 3.006 10.754 4.607 692 H VAL 406 H VAL 406 6.204 13.652 -1.917 693 HA VAL 406 HA VAL 406 8.098 12.099 -3.539 694 HB VAL 406 HB VAL 406 9.122 14.515 -3.964 695 1HG1 VAL 406 1HG1 VAL 406 7.078 12.932 -5.428 696 2HG1 VAL 406 2HG1 VAL 406 8.743 13.318 -5.873 697 3HG1 VAL 406 3HG1 VAL 406 7.480 14.538 -6.042 698 1HG2 VAL 406 1HG2 VAL 406 7.294 15.565 -2.633 699 2HG2 VAL 406 2HG2 VAL 406 6.165 15.045 -3.884 700 3HG2 VAL 406 3HG2 VAL 406 7.448 16.194 -4.275 701 H GLY 407 H GLY 407 10.211 12.095 -2.830 702 1HA GLY 407 2HA GLY 407 10.853 11.858 -0.257 703 2HA GLY 407 1HA GLY 407 12.008 12.486 -1.419 704 H ASP 408 H ASP 408 10.389 14.951 -1.818 705 HA ASP 408 HA ASP 408 11.625 16.515 0.210 706 1HB ASP 408 2HB ASP 408 9.642 17.175 -1.965 707 2HB ASP 408 1HB ASP 408 10.264 18.388 -0.849 708 H GLY 409 H GLY 409 8.933 14.622 0.358 709 1HA GLY 409 2HA GLY 409 7.463 14.378 2.130 710 2HA GLY 409 1HA GLY 409 8.035 15.909 2.780 711 H THR 410 H THR 410 6.896 15.463 -0.501 712 HA THR 410 HA THR 410 4.576 17.169 0.163 713 HB THR 410 HB THR 410 6.253 17.077 -2.340 714 HG1 THR 410 HG1 THR 410 6.442 18.570 -0.245 715 1HG2 THR 410 1HG2 THR 410 3.553 18.327 -1.895 716 2HG2 THR 410 2HG2 THR 410 4.034 17.200 -3.162 717 3HG2 THR 410 3HG2 THR 410 4.653 18.851 -3.168 718 H VAL 411 H VAL 411 2.693 16.173 0.027 719 HA VAL 411 HA VAL 411 2.427 13.717 -1.533 720 HB VAL 411 HB VAL 411 0.550 15.051 0.422 721 1HG1 VAL 411 1HG1 VAL 411 -0.915 13.956 -1.003 722 2HG1 VAL 411 2HG1 VAL 411 -0.597 12.736 0.230 723 3HG1 VAL 411 3HG1 VAL 411 0.221 12.647 -1.330 724 1HG2 VAL 411 1HG2 VAL 411 1.762 12.360 0.810 725 2HG2 VAL 411 2HG2 VAL 411 1.256 13.554 2.006 726 3HG2 VAL 411 3HG2 VAL 411 2.750 13.790 1.101 727 H LEU 412 H LEU 412 1.875 13.933 -3.607 728 HA LEU 412 HA LEU 412 0.598 16.237 -4.663 729 1HB LEU 412 2HB LEU 412 0.928 13.484 -5.864 730 2HB LEU 412 1HB LEU 412 0.372 14.898 -6.738 731 HG LEU 412 HG LEU 412 2.533 15.034 -7.358 732 1HD1 LEU 412 1HD1 LEU 412 2.303 17.036 -6.075 733 2HD1 LEU 412 2HD1 LEU 412 3.921 16.392 -5.797 734 3HD1 LEU 412 3HD1 LEU 412 2.666 16.180 -4.577 735 1HD2 LEU 412 1HD2 LEU 412 3.266 12.948 -6.535 736 2HD2 LEU 412 2HD2 LEU 412 3.178 13.491 -4.860 737 3HD2 LEU 412 3HD2 LEU 412 4.419 14.139 -5.932 738 H GLY 413 H GLY 413 -0.527 13.072 -3.583 739 1HA GLY 413 2HA GLY 413 -3.147 14.026 -3.098 740 2HA GLY 413 1HA GLY 413 -3.119 13.126 -4.607 741 H THR 414 H THR 414 -4.493 11.533 -3.734 742 HA THR 414 HA THR 414 -3.095 9.422 -2.363 743 HB THR 414 HB THR 414 -5.534 9.737 -0.890 744 HG1 THR 414 HG1 THR 414 -3.747 11.954 -0.741 745 1HG2 THR 414 1HG2 THR 414 -3.776 9.938 1.006 746 2HG2 THR 414 2HG2 THR 414 -2.610 9.599 -0.273 747 3HG2 THR 414 3HG2 THR 414 -3.884 8.435 0.090 748 H GLY 415 H GLY 415 -4.761 7.531 -1.931 749 1HA GLY 415 2HA GLY 415 -7.119 7.519 -3.539 750 2HA GLY 415 1HA GLY 415 -5.794 6.696 -4.348 751 H VAL 416 H VAL 416 -8.461 6.044 -2.756 752 HA VAL 416 HA VAL 416 -7.333 3.681 -1.398 753 HB VAL 416 HB VAL 416 -8.337 5.374 0.173 754 1HG1 VAL 416 1HG1 VAL 416 -11.035 4.501 -0.753 755 2HG1 VAL 416 2HG1 VAL 416 -10.228 5.835 -1.577 756 3HG1 VAL 416 3HG1 VAL 416 -10.566 5.941 0.151 757 1HG2 VAL 416 1HG2 VAL 416 -9.711 2.690 0.047 758 2HG2 VAL 416 2HG2 VAL 416 -9.586 3.725 1.469 759 3HG2 VAL 416 3HG2 VAL 416 -8.134 3.010 0.769 760 H GLY 417 H GLY 417 -8.673 1.782 -1.456 761 1HA GLY 417 2HA GLY 417 -11.024 1.708 -3.100 762 2HA GLY 417 1HA GLY 417 -9.616 1.024 -3.901 763 H ARG 418 H ARG 418 -11.737 -0.635 -3.467 764 HA ARG 418 HA ARG 418 -11.441 -2.021 -0.959 765 1HB ARG 418 2HB ARG 418 -13.158 -3.516 -1.765 766 2HB ARG 418 1HB ARG 418 -13.623 -1.857 -2.116 767 1HG ARG 418 2HG ARG 418 -12.929 -2.137 -4.431 768 2HG ARG 418 1HG ARG 418 -12.427 -3.794 -4.087 769 1HD ARG 418 2HD ARG 418 -15.222 -2.920 -3.484 770 2HD ARG 418 1HD ARG 418 -14.768 -3.329 -5.138 771 HE ARG 418 HE ARG 418 -15.096 -5.143 -2.919 772 1HH1 ARG 418 1HH1 ARG 418 -13.681 -4.657 -6.065 773 2HH1 ARG 418 2HH1 ARG 418 -13.585 -6.350 -6.425 774 1HH2 ARG 418 1HH2 ARG 418 -14.986 -7.370 -3.388 775 2HH2 ARG 418 2HH2 ARG 418 -14.328 -7.891 -4.903 776 H ASN 419 H ASN 419 -10.472 -2.597 -4.309 777 HA ASN 419 HA ASN 419 -9.035 -5.016 -3.467 778 1HB ASN 419 2HB ASN 419 -8.685 -5.218 -6.022 779 2HB ASN 419 1HB ASN 419 -10.292 -5.550 -5.381 780 1HD2 ASN 419 1HD2 ASN 419 -9.080 -4.451 -7.986 781 2HD2 ASN 419 2HD2 ASN 419 -10.082 -3.088 -8.339 782 H ILE 420 H ILE 420 -8.255 -2.388 -2.773 783 HA ILE 420 HA ILE 420 -6.554 -0.908 -2.734 784 HB ILE 420 HB ILE 420 -4.523 -1.770 -2.267 785 1HG1 ILE 420 2HG1 ILE 420 -3.836 -4.103 -3.250 786 2HG1 ILE 420 1HG1 ILE 420 -5.024 -3.722 -4.487 787 1HG2 ILE 420 1HG2 ILE 420 -6.527 -2.951 -1.129 788 2HG2 ILE 420 2HG2 ILE 420 -4.905 -3.610 -0.908 789 3HG2 ILE 420 3HG2 ILE 420 -6.011 -4.359 -2.060 790 1HD1 ILE 420 1HD1 ILE 420 -3.275 -2.779 -5.520 791 2HD1 ILE 420 2HD1 ILE 420 -2.351 -2.619 -4.027 792 3HD1 ILE 420 3HD1 ILE 420 -3.586 -1.425 -4.433 793 H LYS 421 H LYS 421 -6.133 -2.896 -5.707 794 HA LYS 421 HA LYS 421 -4.344 -1.351 -7.043 795 1HB LYS 421 2HB LYS 421 -6.326 -3.259 -7.789 796 2HB LYS 421 1HB LYS 421 -6.399 -1.915 -8.924 797 1HG LYS 421 2HG LYS 421 -4.864 -3.611 -9.715 798 2HG LYS 421 1HG LYS 421 -3.996 -2.122 -9.316 799 1HD LYS 421 2HD LYS 421 -2.686 -3.276 -7.945 800 2HD LYS 421 1HD LYS 421 -4.098 -3.676 -6.965 801 1HE LYS 421 2HE LYS 421 -4.436 -5.469 -8.897 802 2HE LYS 421 1HE LYS 421 -2.686 -5.282 -9.019 803 1HZ LYS 421 1HZ LYS 421 -2.422 -6.521 -7.220 804 2HZ LYS 421 2HZ LYS 421 -4.086 -6.825 -7.200 805 3HZ LYS 421 3HZ LYS 421 -3.452 -5.534 -6.309 806 H ILE 422 H ILE 422 -7.865 -0.841 -7.054 807 HA ILE 422 HA ILE 422 -8.046 1.469 -8.508 808 HB ILE 422 HB ILE 422 -9.493 1.778 -5.986 809 1HG1 ILE 422 2HG1 ILE 422 -11.072 -0.168 -6.638 810 2HG1 ILE 422 1HG1 ILE 422 -9.674 -0.812 -7.497 811 1HG2 ILE 422 1HG2 ILE 422 -11.399 2.018 -7.492 812 2HG2 ILE 422 2HG2 ILE 422 -10.393 1.498 -8.845 813 3HG2 ILE 422 3HG2 ILE 422 -10.028 3.008 -8.004 814 1HD1 ILE 422 1HD1 ILE 422 -10.253 -0.742 -4.644 815 2HD1 ILE 422 2HD1 ILE 422 -8.620 -0.206 -5.048 816 3HD1 ILE 422 3HD1 ILE 422 -9.180 -1.798 -5.563 817 H ALA 423 H ALA 423 -6.804 0.951 -5.296 818 HA ALA 423 HA ALA 423 -6.489 3.685 -4.588 819 1HB ALA 423 1HB ALA 423 -6.272 1.291 -3.268 820 2HB ALA 423 2HB ALA 423 -5.819 2.868 -2.617 821 3HB ALA 423 3HB ALA 423 -4.596 1.836 -3.360 822 H GLY 424 H GLY 424 -4.311 1.239 -6.011 823 1HA GLY 424 2HA GLY 424 -2.001 2.843 -6.086 824 2HA GLY 424 1HA GLY 424 -2.337 1.494 -7.165 825 H ILE 425 H ILE 425 -4.166 2.093 -8.819 826 HA ILE 425 HA ILE 425 -3.137 4.001 -10.572 827 HB ILE 425 HB ILE 425 -5.937 2.874 -10.426 828 1HG1 ILE 425 2HG1 ILE 425 -4.953 1.630 -12.507 829 2HG1 ILE 425 1HG1 ILE 425 -3.398 2.043 -11.793 830 1HG2 ILE 425 1HG2 ILE 425 -5.850 3.541 -12.936 831 2HG2 ILE 425 2HG2 ILE 425 -4.621 4.687 -12.401 832 3HG2 ILE 425 3HG2 ILE 425 -6.247 4.758 -11.723 833 1HD1 ILE 425 1HD1 ILE 425 -3.569 0.436 -10.270 834 2HD1 ILE 425 2HD1 ILE 425 -4.908 -0.184 -11.235 835 3HD1 ILE 425 3HD1 ILE 425 -5.226 0.881 -9.865 836 H ARG 426 H ARG 426 -5.766 4.222 -8.212 837 HA ARG 426 HA ARG 426 -6.720 6.760 -8.846 838 1HB ARG 426 2HB ARG 426 -7.974 5.462 -7.299 839 2HB ARG 426 1HB ARG 426 -6.586 5.256 -6.237 840 1HG ARG 426 2HG ARG 426 -7.853 6.813 -5.108 841 2HG ARG 426 1HG ARG 426 -6.699 7.827 -5.976 842 1HD ARG 426 2HD ARG 426 -8.449 8.935 -6.783 843 2HD ARG 426 1HD ARG 426 -8.793 7.510 -7.757 844 HE ARG 426 HE ARG 426 -10.075 8.233 -5.217 845 1HH1 ARG 426 1HH1 ARG 426 -9.934 6.163 -8.034 846 2HH1 ARG 426 2HH1 ARG 426 -11.506 5.494 -7.769 847 1HH2 ARG 426 1HH2 ARG 426 -12.138 7.341 -4.872 848 2HH2 ARG 426 2HH2 ARG 426 -12.755 6.159 -5.977 849 H ALA 427 H ALA 427 -4.060 5.777 -6.721 850 HA ALA 427 HA ALA 427 -3.395 8.276 -5.689 851 1HB ALA 427 1HB ALA 427 -1.358 6.178 -6.386 852 2HB ALA 427 2HB ALA 427 -2.460 6.013 -5.019 853 3HB ALA 427 3HB ALA 427 -1.315 7.353 -5.072 854 H ALA 428 H ALA 428 -2.148 6.633 -8.592 855 HA ALA 428 HA ALA 428 -0.398 8.614 -9.453 856 1HB ALA 428 1HB ALA 428 -1.162 7.636 -11.813 857 2HB ALA 428 2HB ALA 428 -1.828 6.383 -10.767 858 3HB ALA 428 3HB ALA 428 -0.105 6.754 -10.712 859 H GLU 429 H GLU 429 -3.738 8.089 -10.617 860 HA GLU 429 HA GLU 429 -3.989 10.350 -12.173 861 1HB GLU 429 2HB GLU 429 -6.027 8.899 -10.485 862 2HB GLU 429 1HB GLU 429 -6.462 10.235 -11.543 863 1HG GLU 429 2HG GLU 429 -4.961 8.520 -13.137 864 2HG GLU 429 1HG GLU 429 -5.993 7.465 -12.171 865 H ASN 430 H ASN 430 -4.023 10.015 -8.718 866 HA ASN 430 HA ASN 430 -5.118 12.550 -8.090 867 1HB ASN 430 2HB ASN 430 -3.897 10.329 -6.646 868 2HB ASN 430 1HB ASN 430 -3.457 11.892 -5.967 869 1HD2 ASN 430 1HD2 ASN 430 -6.303 10.161 -7.188 870 2HD2 ASN 430 2HD2 ASN 430 -7.383 10.733 -5.968 871 H ALA 431 H ALA 431 -1.841 11.378 -8.663 872 HA ALA 431 HA ALA 431 -0.467 13.687 -7.842 873 1HB ALA 431 1HB ALA 431 1.327 12.475 -8.347 874 2HB ALA 431 2HB ALA 431 0.864 12.400 -10.047 875 3HB ALA 431 3HB ALA 431 0.240 11.204 -8.909 876 H LEU 432 H LEU 432 -1.830 12.703 -10.928 877 HA LEU 432 HA LEU 432 -1.017 15.195 -12.187 878 1HB LEU 432 2HB LEU 432 -2.506 14.144 -14.083 879 2HB LEU 432 1HB LEU 432 -0.879 13.568 -13.782 880 HG LEU 432 HG LEU 432 -2.985 12.157 -12.282 881 1HD1 LEU 432 1HD1 LEU 432 -4.326 12.199 -14.145 882 2HD1 LEU 432 2HD1 LEU 432 -3.349 10.766 -14.465 883 3HD1 LEU 432 3HD1 LEU 432 -2.963 12.292 -15.260 884 1HD2 LEU 432 1HD2 LEU 432 -0.474 11.642 -12.485 885 2HD2 LEU 432 2HD2 LEU 432 -0.879 11.002 -14.077 886 3HD2 LEU 432 3HD2 LEU 432 -1.614 10.305 -12.633 887 H ARG 433 H ARG 433 -3.277 14.531 -10.016 888 HA ARG 433 HA ARG 433 -5.530 15.841 -11.308 889 1HB ARG 433 2HB ARG 433 -6.837 15.098 -9.562 890 2HB ARG 433 1HB ARG 433 -5.589 13.860 -9.584 891 1HG ARG 433 2HG ARG 433 -5.331 14.264 -7.416 892 2HG ARG 433 1HG ARG 433 -4.566 15.782 -7.885 893 1HD ARG 433 2HD ARG 433 -7.419 16.061 -7.963 894 2HD ARG 433 1HD ARG 433 -6.924 15.420 -6.397 895 HE ARG 433 HE ARG 433 -5.213 17.473 -6.779 896 1HH1 ARG 433 1HH1 ARG 433 -8.678 17.197 -6.957 897 2HH1 ARG 433 2HH1 ARG 433 -8.964 18.835 -6.473 898 1HH2 ARG 433 1HH2 ARG 433 -5.576 19.634 -6.142 899 2HH2 ARG 433 2HH2 ARG 433 -7.200 20.222 -6.010 900 H ASP 434 H ASP 434 -2.806 17.076 -10.343 901 HA ASP 434 HA ASP 434 -4.081 19.415 -9.082 902 1HB ASP 434 2HB ASP 434 -1.409 18.165 -8.455 903 2HB ASP 434 1HB ASP 434 -1.850 19.789 -7.937 904 H LYS 435 H LYS 435 -4.307 20.264 -11.233 905 HA LYS 435 HA LYS 435 -2.384 20.626 -13.146 906 1HB LYS 435 2HB LYS 435 -3.765 22.216 -14.081 907 2HB LYS 435 1HB LYS 435 -4.898 21.418 -12.999 908 1HG LYS 435 2HG LYS 435 -4.603 23.177 -11.353 909 2HG LYS 435 1HG LYS 435 -3.405 23.961 -12.385 910 1HD LYS 435 2HD LYS 435 -5.624 25.018 -12.543 911 2HD LYS 435 1HD LYS 435 -5.083 24.354 -14.086 912 1HE LYS 435 2HE LYS 435 -6.470 22.374 -13.723 913 2HE LYS 435 1HE LYS 435 -7.001 23.026 -12.173 914 1HZ LYS 435 1HZ LYS 435 -8.443 23.340 -14.301 915 2HZ LYS 435 2HZ LYS 435 -7.395 24.634 -14.598 916 3HZ LYS 435 3HZ LYS 435 -8.307 24.596 -13.174 917 H LYS 436 H LYS 436 -3.040 22.738 -10.372 918 HA LYS 436 HA LYS 436 -1.026 24.619 -10.882 919 1HB LYS 436 2HB LYS 436 -2.032 23.837 -8.146 920 2HB LYS 436 1HB LYS 436 -1.370 25.389 -8.642 921 1HG LYS 436 2HG LYS 436 -3.814 24.392 -10.016 922 2HG LYS 436 1HG LYS 436 -3.959 25.021 -8.373 923 1HD LYS 436 2HD LYS 436 -2.322 26.761 -9.980 924 2HD LYS 436 1HD LYS 436 -3.880 26.483 -10.762 925 1HE LYS 436 2HE LYS 436 -3.835 27.099 -7.849 926 2HE LYS 436 1HE LYS 436 -3.546 28.411 -8.991 927 1HZ LYS 436 1HZ LYS 436 -5.974 26.814 -8.573 928 2HZ LYS 436 2HZ LYS 436 -5.674 27.454 -10.110 929 3HZ LYS 436 3HZ LYS 436 -5.807 28.486 -8.777 930 H MET 437 H MET 437 -1.008 21.686 -8.869 931 HA MET 437 HA MET 437 1.636 21.969 -7.930 932 1HB MET 437 2HB MET 437 0.048 20.435 -6.876 933 2HB MET 437 1HB MET 437 -0.005 19.462 -8.340 934 1HG MET 437 2HG MET 437 2.600 19.921 -6.968 935 2HG MET 437 1HG MET 437 1.468 18.729 -6.330 936 1HE MET 437 1HE MET 437 0.217 17.201 -9.004 937 2HE MET 437 2HE MET 437 0.684 16.757 -7.362 938 3HE MET 437 3HE MET 437 1.391 15.911 -8.739 939 H LEU 438 H LEU 438 0.270 20.228 -10.698 940 HA LEU 438 HA LEU 438 2.620 19.069 -11.666 941 1HB LEU 438 2HB LEU 438 0.169 20.062 -13.117 942 2HB LEU 438 1HB LEU 438 1.452 19.162 -13.898 943 HG LEU 438 HG LEU 438 -0.261 18.130 -11.631 944 1HD1 LEU 438 1HD1 LEU 438 -0.670 16.571 -13.873 945 2HD1 LEU 438 2HD1 LEU 438 -0.648 18.218 -14.503 946 3HD1 LEU 438 3HD1 LEU 438 -1.777 17.780 -13.221 947 1HD2 LEU 438 1HD2 LEU 438 1.694 16.930 -11.417 948 2HD2 LEU 438 2HD2 LEU 438 2.067 17.024 -13.137 949 3HD2 LEU 438 3HD2 LEU 438 0.802 15.935 -12.567 950 H ASP 439 H ASP 439 1.022 22.007 -12.872 951 HA ASP 439 HA ASP 439 3.075 22.913 -14.507 952 1HB ASP 439 2HB ASP 439 0.757 23.845 -14.449 953 2HB ASP 439 1HB ASP 439 1.151 24.637 -12.927 954 H PHE 440 H PHE 440 2.625 23.164 -11.058 955 HA PHE 440 HA PHE 440 4.481 25.165 -10.461 956 1HB PHE 440 2HB PHE 440 3.331 24.660 -8.562 957 2HB PHE 440 1HB PHE 440 3.173 22.961 -8.983 958 HD1 PHE 440 HD1 PHE 440 4.277 21.435 -7.672 959 HD2 PHE 440 HD2 PHE 440 5.816 25.391 -7.968 960 HE1 PHE 440 HE1 PHE 440 6.027 20.873 -6.035 961 HE2 PHE 440 HE2 PHE 440 7.567 24.836 -6.332 962 HZ PHE 440 HZ PHE 440 7.673 22.575 -5.362 963 H TYR 441 H TYR 441 4.898 21.678 -10.875 964 HA TYR 441 HA TYR 441 7.693 21.741 -10.297 965 1HB TYR 441 2HB TYR 441 5.836 19.662 -11.421 966 2HB TYR 441 1HB TYR 441 7.580 19.399 -11.387 967 HD1 TYR 441 HD1 TYR 441 4.532 19.431 -9.460 968 HD2 TYR 441 HD2 TYR 441 8.775 19.436 -9.188 969 HE1 TYR 441 HE1 TYR 441 4.376 18.740 -7.107 970 HE2 TYR 441 HE2 TYR 441 8.637 18.741 -6.839 971 HH TYR 441 HH TYR 441 6.770 19.000 -4.949 972 H ALA 442 H ALA 442 5.740 22.161 -13.140 973 HA ALA 442 HA ALA 442 7.629 21.660 -15.136 974 1HB ALA 442 1HB ALA 442 5.617 22.072 -16.116 975 2HB ALA 442 2HB ALA 442 6.304 23.690 -16.263 976 3HB ALA 442 3HB ALA 442 5.183 23.324 -14.952 977 H LYS 443 H LYS 443 6.884 24.679 -13.415 978 HA LYS 443 HA LYS 443 8.962 26.203 -14.574 979 1HB LYS 443 2HB LYS 443 7.354 27.519 -13.540 980 2HB LYS 443 1HB LYS 443 7.247 26.468 -12.136 981 1HG LYS 443 2HG LYS 443 9.238 27.331 -11.212 982 2HG LYS 443 1HG LYS 443 9.672 28.140 -12.720 983 1HD LYS 443 2HD LYS 443 8.837 29.758 -11.119 984 2HD LYS 443 1HD LYS 443 7.709 29.608 -12.468 985 1HE LYS 443 2HE LYS 443 6.222 29.500 -10.748 986 2HE LYS 443 1HE LYS 443 6.628 27.789 -10.871 987 1HZ LYS 443 1HZ LYS 443 6.670 28.862 -8.577 988 2HZ LYS 443 2HZ LYS 443 8.119 29.586 -9.062 989 3HZ LYS 443 3HZ LYS 443 7.993 27.900 -9.011 990 H GLN 444 H GLN 444 8.735 24.402 -11.516 991 HA GLN 444 HA GLN 444 11.221 24.937 -10.445 992 1HB GLN 444 2HB GLN 444 9.515 22.453 -10.384 993 2HB GLN 444 1HB GLN 444 11.057 22.520 -9.542 994 1HG GLN 444 2HG GLN 444 9.889 24.789 -8.648 995 2HG GLN 444 1HG GLN 444 8.482 23.750 -8.878 996 1HE2 GLN 444 1HE2 GLN 444 10.214 21.355 -8.387 997 2HE2 GLN 444 2HE2 GLN 444 10.399 21.296 -6.674 998 H ARG 445 H ARG 445 10.309 22.505 -12.829 999 HA ARG 445 HA ARG 445 12.749 21.215 -13.143 1000 1HB ARG 445 2HB ARG 445 10.265 21.503 -14.672 1001 2HB ARG 445 1HB ARG 445 11.676 21.198 -15.675 1002 1HG ARG 445 2HG ARG 445 11.039 19.510 -13.279 1003 2HG ARG 445 1HG ARG 445 10.343 19.186 -14.869 1004 1HD ARG 445 2HD ARG 445 13.251 19.602 -14.853 1005 2HD ARG 445 1HD ARG 445 12.705 18.180 -13.969 1006 HE ARG 445 HE ARG 445 11.960 17.242 -15.964 1007 1HH1 ARG 445 1HH1 ARG 445 13.171 20.474 -16.478 1008 2HH1 ARG 445 2HH1 ARG 445 13.195 20.326 -18.202 1009 1HH2 ARG 445 1HH2 ARG 445 11.995 17.044 -18.235 1010 2HH2 ARG 445 2HH2 ARG 445 12.527 18.380 -19.200 1011 H ALA 446 H ALA 446 11.454 24.060 -14.831 1012 HA ALA 446 HA ALA 446 13.662 24.467 -16.530 1013 1HB ALA 446 1HB ALA 446 12.129 25.877 -17.327 1014 2HB ALA 446 2HB ALA 446 12.644 26.996 -16.065 1015 3HB ALA 446 3HB ALA 446 11.267 25.929 -15.789 1016 H ALA 447 H ALA 447 12.924 25.666 -13.299 1017 HA ALA 447 HA ALA 447 15.236 27.324 -13.089 1018 1HB ALA 447 1HB ALA 447 13.050 26.491 -11.291 1019 2HB ALA 447 2HB ALA 447 13.743 28.087 -11.575 1020 3HB ALA 447 3HB ALA 447 14.567 26.944 -10.514 1021 H ILE 448 H ILE 448 14.460 24.654 -10.916 1022 HA ILE 448 HA ILE 448 16.312 23.749 -9.579 1023 HB ILE 448 HB ILE 448 16.429 21.458 -10.632 1024 1HG1 ILE 448 2HG1 ILE 448 14.232 22.100 -12.458 1025 2HG1 ILE 448 1HG1 ILE 448 15.776 22.798 -12.932 1026 1HG2 ILE 448 1HG2 ILE 448 13.690 21.458 -10.573 1027 2HG2 ILE 448 2HG2 ILE 448 14.101 22.889 -9.625 1028 3HG2 ILE 448 3HG2 ILE 448 14.748 21.314 -9.168 1029 1HD1 ILE 448 1HD1 ILE 448 15.973 20.810 -13.979 1030 2HD1 ILE 448 2HD1 ILE 448 14.909 19.980 -12.842 1031 3HD1 ILE 448 3HD1 ILE 448 16.584 20.316 -12.400 1032 HA PRO 449 HA PRO 449 20.119 24.574 -11.865 1033 1HB PRO 449 2HB PRO 449 21.600 25.269 -9.771 1034 2HB PRO 449 1HB PRO 449 20.334 26.338 -10.385 1035 1HG PRO 449 2HG PRO 449 20.267 24.491 -8.031 1036 2HG PRO 449 1HG PRO 449 19.677 26.159 -8.157 1037 1HD PRO 449 2HD PRO 449 18.083 23.920 -8.393 1038 2HD PRO 449 1HD PRO 449 17.692 25.506 -9.087 1039 H ARG 450 H ARG 450 19.855 22.107 -12.094 1040 HA ARG 450 HA ARG 450 20.700 19.997 -11.936 1041 1HB ARG 450 2HB ARG 450 22.975 19.872 -12.207 1042 2HB ARG 450 1HB ARG 450 22.710 21.572 -12.564 1043 1HG ARG 450 2HG ARG 450 23.123 21.464 -9.806 1044 2HG ARG 450 1HG ARG 450 24.303 20.355 -10.500 1045 1HD ARG 450 2HD ARG 450 24.452 22.501 -12.191 1046 2HD ARG 450 1HD ARG 450 24.153 23.272 -10.635 1047 HE ARG 450 HE ARG 450 26.239 22.602 -9.926 1048 1HH1 ARG 450 1HH1 ARG 450 25.439 21.015 -12.919 1049 2HH1 ARG 450 2HH1 ARG 450 27.041 20.413 -13.181 1050 1HH2 ARG 450 1HH2 ARG 450 28.355 21.816 -10.259 1051 2HH2 ARG 450 2HH2 ARG 450 28.701 20.869 -11.667 1052 H SER 451 H SER 451 19.448 21.055 -9.509 1053 HA SER 451 HA SER 451 20.060 18.953 -7.755 1054 1HB SER 451 2HB SER 451 21.578 21.462 -7.346 1055 2HB SER 451 1HB SER 451 20.845 20.763 -5.901 1056 HG SER 451 HG SER 451 23.059 20.042 -6.595 1057 H GLU 452 H GLU 452 19.208 19.662 -5.381 1058 HA GLU 452 HA GLU 452 16.467 19.987 -5.611 1059 1HB GLU 452 2HB GLU 452 18.429 20.056 -3.403 1060 2HB GLU 452 1HB GLU 452 16.899 20.858 -3.074 1061 1HG GLU 452 2HG GLU 452 15.827 18.927 -2.836 1062 2HG GLU 452 1HG GLU 452 16.529 18.265 -4.312 1063 H SER 453 HN SER 453 18.653 22.410 -4.167 1064 HA SER 453 HA SER 453 16.779 24.496 -5.053 1065 1HB SER 453 2HB SER 453 17.863 25.912 -3.303 1066 2HB SER 453 1HB SER 453 17.071 24.478 -2.650 1067 HG SER 453 HG SER 453 19.802 25.058 -2.888 Start of MODEL 2 1 1H5* G 1 2H5* G 1 -15.727 -27.723 -6.880 2 2H5* G 1 1H5* G 1 -14.505 -26.724 -7.695 3 H4* G 1 H4* G 1 -16.692 -25.546 -7.421 4 H3* G 1 H3* G 1 -14.142 -24.527 -6.163 5 H2* G 1 H2* G 1 -15.279 -23.023 -4.833 6 2HO* G 1 HO2* G 1 -17.416 -22.200 -5.985 7 H1* G 1 H1* G 1 -17.981 -24.053 -5.397 8 H8 G 1 H8 G 1 -16.181 -25.977 -2.800 9 H1 G 1 H1 G 1 -18.490 -20.513 -0.460 10 1H2 G 1 1H2 G 1 -19.159 -19.204 -2.116 11 2H2 G 1 2H2 G 1 -19.037 -19.677 -3.795 12 H5T G 1 H5T G 1 -13.395 -27.402 -6.019 13 1H5* G 2 2H5* G 2 -17.180 -21.979 -8.147 14 2H5* G 2 1H5* G 2 -16.365 -21.305 -9.574 15 H4* G 2 H4* G 2 -17.847 -19.589 -9.134 16 H3* G 2 H3* G 2 -15.328 -19.093 -7.516 17 H2* G 2 H2* G 2 -16.331 -17.159 -6.556 18 2HO* G 2 HO2* G 2 -18.398 -16.408 -7.360 19 H1* G 2 H1* G 2 -18.763 -18.236 -6.031 20 H8 G 2 H8 G 2 -16.224 -20.953 -5.496 21 H1 G 2 H1 G 2 -16.428 -16.799 -0.664 22 1H2 G 2 1H2 G 2 -17.630 -15.027 -1.238 23 2H2 G 2 2H2 G 2 -18.382 -14.872 -2.810 24 1H5* G 3 2H5* G 3 -16.566 -15.119 -8.349 25 2H5* G 3 1H5* G 3 -15.148 -14.408 -9.141 26 H4* G 3 H4* G 3 -15.834 -13.086 -7.166 27 H3* G 3 H3* G 3 -13.165 -14.513 -7.210 28 H2* G 3 H2* G 3 -12.721 -13.927 -5.009 29 2HO* G 3 HO2* G 3 -14.642 -11.907 -4.792 30 H1* G 3 H1* G 3 -15.381 -13.625 -4.074 31 H8 G 3 H8 G 3 -14.483 -17.026 -5.447 32 H1 G 3 H1 G 3 -12.688 -16.216 0.619 33 1H2 G 3 1H2 G 3 -12.922 -14.099 1.204 34 2H2 G 3 2H2 G 3 -13.519 -12.879 0.103 35 1H5* A 4 2H5* A 4 -12.934 -9.910 -5.708 36 2H5* A 4 1H5* A 4 -11.356 -9.465 -6.386 37 H4* A 4 H4* A 4 -11.656 -8.882 -3.938 38 H3* A 4 H3* A 4 -9.431 -10.708 -4.913 39 H2* A 4 H2* A 4 -8.657 -10.933 -2.713 40 2HO* A 4 HO2* A 4 -9.751 -9.303 -1.116 41 H1* A 4 H1* A 4 -11.127 -10.734 -1.391 42 H8 A 4 H8 A 4 -10.852 -13.278 -4.209 43 1H6 A 4 1H6 A 4 -8.726 -17.236 -0.001 44 2H6 A 4 2H6 A 4 -9.253 -17.051 -1.658 45 H2 A 4 H2 A 4 -9.074 -13.189 1.932 46 1H5* U 5 2H5* U 5 -8.069 -6.846 -2.201 47 2H5* U 5 1H5* U 5 -6.458 -6.571 -2.893 48 H4* U 5 H4* U 5 -6.512 -6.607 -0.371 49 H3* U 5 H3* U 5 -4.818 -8.549 -1.980 50 H2* U 5 H2* U 5 -3.961 -9.437 0.063 51 2HO* U 5 HO2* U 5 -5.412 -7.568 1.617 52 H1* U 5 H1* U 5 -6.330 -9.640 1.357 53 H3 U 5 H3 U 5 -5.290 -13.872 0.098 54 H5 U 5 H5 U 5 -6.677 -12.053 -3.442 55 H6 U 5 H6 U 5 -6.751 -9.940 -2.249 56 1H5* A 6 2H5* A 6 -2.156 -7.282 1.235 57 2H5* A 6 1H5* A 6 -0.629 -6.926 0.405 58 H4* A 6 H4* A 6 -0.393 -8.645 2.212 59 H3* A 6 H3* A 6 0.202 -9.328 -0.687 60 H2* A 6 H2* A 6 0.784 -11.511 -0.050 61 2HO* A 6 HO2* A 6 1.896 -11.852 1.723 62 H1* A 6 H1* A 6 -0.980 -11.764 2.135 63 H8 A 6 H8 A 6 -2.641 -10.694 -1.088 64 1H6 A 6 1H6 A 6 -2.950 -16.658 -2.588 65 2H6 A 6 2H6 A 6 -3.461 -15.042 -3.022 66 H2 A 6 H2 A 6 -0.410 -16.280 1.096 67 1H5* C 7 2H5* C 7 3.449 -10.470 2.529 68 2H5* C 7 1H5* C 7 4.950 -9.958 1.730 69 H4* C 7 H4* C 7 5.252 -12.172 2.741 70 H3* C 7 H3* C 7 5.221 -11.933 -0.281 71 H2* C 7 H2* C 7 5.536 -14.266 -0.490 72 2HO* C 7 HO2* C 7 7.149 -14.525 1.102 73 H1* C 7 H1* C 7 3.801 -15.082 1.391 74 1H4 C 7 1H4 C 7 0.551 -14.921 -4.069 75 2H4 C 7 2H4 C 7 0.535 -13.174 -4.058 76 H5 C 7 H5 C 7 1.655 -11.856 -2.380 77 H6 C 7 H6 C 7 3.022 -11.930 -0.349 78 1H5* C 8 2H5* C 8 9.044 -14.485 0.924 79 2H5* C 8 1H5* C 8 10.202 -13.805 -0.235 80 H4* C 8 H4* C 8 10.137 -16.296 -0.297 81 H3* C 8 H3* C 8 9.273 -14.714 -2.749 82 H2* C 8 H2* C 8 9.073 -16.799 -3.910 83 2HO* C 8 HO2* C 8 10.497 -18.280 -3.406 84 H1* C 8 H1* C 8 7.760 -18.121 -1.943 85 1H4 C 8 1H4 C 8 3.132 -15.546 -5.453 86 2H4 C 8 2H4 C 8 3.341 -14.013 -4.639 87 H5 C 8 H5 C 8 5.096 -13.595 -3.047 88 H6 C 8 H6 C 8 7.028 -14.559 -1.889 89 1H5* A 9 2H5* A 9 12.056 -17.563 -4.409 90 2H5* A 9 1H5* A 9 12.993 -16.666 -5.621 91 H4* A 9 H4* A 9 11.712 -18.602 -6.576 92 H3* A 9 H3* A 9 11.170 -15.751 -7.478 93 H2* A 9 H2* A 9 9.579 -16.563 -9.024 94 2HO* A 9 HO2* A 9 9.961 -18.374 -10.048 95 H1* A 9 H1* A 9 8.540 -18.609 -7.459 96 H8 A 9 H8 A 9 8.861 -15.415 -5.477 97 1H6 A 9 1H6 A 9 3.459 -13.693 -7.851 98 2H6 A 9 2H6 A 9 4.682 -13.327 -6.657 99 H2 A 9 H2 A 9 4.834 -17.364 -10.050 100 1H5* U 10 2H5* U 10 11.647 -18.207 -11.319 101 2H5* U 10 1H5* U 10 12.630 -17.101 -12.301 102 H4* U 10 H4* U 10 10.476 -17.824 -13.400 103 H3* U 10 H3* U 10 11.165 -14.925 -12.856 104 H2* U 10 H2* U 10 9.099 -14.213 -13.691 105 2HO* U 10 HO2* U 10 8.323 -15.090 -15.453 106 H1* U 10 H1* U 10 7.539 -16.429 -12.975 107 H3 U 10 H3 U 10 5.481 -13.021 -10.847 108 H5 U 10 H5 U 10 9.181 -13.339 -8.877 109 H6 U 10 H6 U 10 9.851 -14.990 -10.519 110 1H5* G 11 2H5* G 11 9.472 -16.074 -17.134 111 2H5* G 11 1H5* G 11 10.160 -14.852 -18.222 112 H4* G 11 H4* G 11 7.583 -15.204 -18.247 113 H3* G 11 H3* G 11 9.061 -12.565 -18.086 114 H2* G 11 H2* G 11 7.070 -11.393 -17.791 115 2HO* G 11 HO2* G 11 5.379 -13.429 -18.720 116 H1* G 11 H1* G 11 5.484 -13.523 -16.726 117 H8 G 11 H8 G 11 8.547 -12.416 -14.776 118 H1 G 11 H1 G 11 3.341 -8.964 -13.497 119 1H2 G 11 1H2 G 11 1.725 -9.473 -14.927 120 2H2 G 11 2H2 G 11 1.929 -10.662 -16.194 121 1H5* U 12 2H5* U 12 5.678 -13.569 -21.025 122 2H5* U 12 1H5* U 12 5.759 -12.599 -22.511 123 H4* U 12 H4* U 12 3.455 -12.771 -21.484 124 H3* U 12 H3* U 12 4.879 -10.185 -22.093 125 H2* U 12 H2* U 12 3.205 -8.889 -21.075 126 2HO* U 12 HO2* U 12 1.352 -10.884 -20.595 127 H1* U 12 H1* U 12 2.531 -10.519 -18.983 128 H3 U 12 H3 U 12 4.404 -6.897 -17.041 129 H5 U 12 H5 U 12 7.674 -8.962 -18.723 130 H6 U 12 H6 U 12 6.095 -10.478 -19.768 131 1H5* U 13 2H5* U 13 0.336 -10.057 -22.628 132 2H5* U 13 1H5* U 13 0.058 -9.029 -24.048 133 H4* U 13 H4* U 13 -1.091 -8.366 -21.811 134 H3* U 13 H3* U 13 0.427 -6.598 -23.721 135 H2* U 13 H2* U 13 0.534 -4.850 -22.223 136 2HO* U 13 HO2* U 13 -1.523 -5.245 -20.544 137 H1* U 13 H1* U 13 -0.135 -6.282 -19.808 138 H3 U 13 H3 U 13 3.033 -3.323 -18.486 139 H5 U 13 H5 U 13 5.017 -5.759 -21.295 140 H6 U 13 H6 U 13 2.912 -6.867 -21.732 141 1H5* C 14 2H5* C 14 -3.490 -4.823 -22.006 142 2H5* C 14 1H5* C 14 -4.097 -3.627 -23.170 143 H4* C 14 H4* C 14 -3.639 -2.845 -20.731 144 H3* C 14 H3* C 14 -2.800 -1.487 -23.299 145 H2* C 14 H2* C 14 -1.542 0.108 -22.157 146 2HO* C 14 HO2* C 14 -2.030 0.651 -19.952 147 H1* C 14 H1* C 14 -0.930 -1.381 -19.822 148 1H4 C 14 1H4 C 14 4.534 -0.333 -22.937 149 2H4 C 14 2H4 C 14 4.137 -1.603 -24.073 150 H5 C 14 H5 C 14 2.037 -2.773 -24.066 151 H6 C 14 H6 C 14 -0.140 -2.986 -22.972 152 1H5* A 15 2H5* A 15 -3.401 2.254 -24.659 153 2H5* A 15 1H5* A 15 -2.703 0.636 -24.444 154 H4* A 15 H4* A 15 -1.722 2.811 -22.633 155 H3* A 15 H3* A 15 -1.296 2.736 -25.630 156 H2* A 15 H2* A 15 1.014 3.156 -25.355 157 2HO* A 15 HO2* A 15 0.678 3.647 -22.575 158 H1* A 15 H1* A 15 1.456 1.585 -23.147 159 H8 A 15 H8 A 15 -0.797 -0.363 -25.399 160 1H6 A 15 1H6 A 15 4.125 -1.755 -28.834 161 2H6 A 15 2H6 A 15 2.437 -2.106 -28.539 162 H2 A 15 H2 A 15 5.324 1.436 -25.908 163 1H5* G 16 2H5* G 16 0.233 5.491 -25.304 164 2H5* G 16 1H5* G 16 0.095 7.059 -26.124 165 H4* G 16 H4* G 16 1.948 5.951 -27.135 166 H3* G 16 H3* G 16 -0.445 6.469 -28.675 167 H2* G 16 H2* G 16 -0.732 4.267 -29.432 168 2HO* G 16 HO2* G 16 0.083 4.330 -31.381 169 H1* G 16 H1* G 16 2.203 3.678 -29.004 170 H8 G 16 H8 G 16 2.455 1.086 -28.989 171 H1 G 16 H1 G 16 -3.851 0.157 -28.850 172 1H2 G 16 1H2 G 16 -4.896 2.091 -28.585 173 2H2 G 16 2H2 G 16 -4.040 3.610 -28.439 174 1H5* A 17 2H5* A 17 5.356 5.123 -28.316 175 2H5* A 17 1H5* A 17 4.854 5.143 -26.613 176 H4* A 17 H4* A 17 5.908 7.334 -28.312 177 H3* A 17 H3* A 17 6.704 6.193 -25.950 178 H2* A 17 H2* A 17 4.829 6.832 -24.631 179 2HO* A 17 HO2* A 17 6.418 9.209 -24.572 180 H1* A 17 H1* A 17 4.729 9.569 -25.884 181 H8 A 17 H8 A 17 2.691 6.435 -24.853 182 1H6 A 17 1H6 A 17 -1.731 10.395 -23.226 183 2H6 A 17 2H6 A 17 -1.254 8.712 -23.264 184 H2 A 17 H2 A 17 1.641 12.744 -25.051 185 1H5* A 18 2H5* A 18 10.327 8.572 -24.108 186 2H5* A 18 1H5* A 18 10.389 6.940 -23.420 187 H4* A 18 H4* A 18 9.538 9.253 -22.112 188 H3* A 18 H3* A 18 9.474 6.305 -21.574 189 H2* A 18 H2* A 18 7.696 6.406 -20.048 190 2HO* A 18 HO2* A 18 7.904 7.969 -18.632 191 H1* A 18 H1* A 18 6.115 8.272 -21.211 192 H8 A 18 H8 A 18 8.152 5.646 -23.215 193 1H6 A 18 1H6 A 18 2.858 2.541 -23.671 194 2H6 A 18 2H6 A 18 4.546 2.572 -24.125 195 H2 A 18 H2 A 18 2.112 6.200 -21.172 196 1H5* G 19 2H5* G 19 9.644 7.851 -17.777 197 2H5* G 19 1H5* G 19 10.453 6.775 -16.619 198 H4* G 19 H4* G 19 7.967 6.885 -16.307 199 H3* G 19 H3* G 19 9.381 4.290 -16.985 200 H2* G 19 H2* G 19 7.331 3.139 -16.981 201 2HO* G 19 HO2* G 19 6.249 5.379 -15.566 202 H1* G 19 H1* G 19 5.706 5.188 -17.968 203 H8 G 19 H8 G 19 8.917 4.515 -19.910 204 H1 G 19 H1 G 19 4.081 0.706 -21.570 205 1H2 G 19 1H2 G 19 2.387 0.984 -20.175 206 2H2 G 19 2H2 G 19 2.443 2.105 -18.835 207 1H5* A 20 2H5* A 20 6.603 5.304 -13.483 208 2H5* A 20 1H5* A 20 6.995 4.367 -12.026 209 H4* A 20 H4* A 20 4.551 4.716 -12.272 210 H3* A 20 H3* A 20 5.785 1.966 -12.314 211 H2* A 20 H2* A 20 3.710 0.928 -12.808 212 2HO* A 20 HO2* A 20 1.788 2.504 -12.884 213 H1* A 20 H1* A 20 2.826 2.618 -14.694 214 H8 A 20 H8 A 20 6.611 2.424 -14.870 215 1H6 A 20 1H6 A 20 5.900 -2.530 -18.450 216 2H6 A 20 2H6 A 20 7.043 -1.370 -17.819 217 H2 A 20 H2 A 20 1.874 -1.438 -16.774 218 1H5* A 21 2H5* A 21 1.713 1.855 -10.820 219 2H5* A 21 1H5* A 21 1.670 0.729 -9.448 220 H4* A 21 H4* A 21 0.148 0.208 -11.477 221 H3* A 21 H3* A 21 2.044 -1.717 -10.106 222 H2* A 21 H2* A 21 1.566 -3.389 -11.664 223 2HO* A 21 HO2* A 21 -0.575 -2.604 -13.010 224 H1* A 21 H1* A 21 0.900 -1.744 -13.871 225 H8 A 21 H8 A 21 4.335 -1.094 -12.474 226 1H6 A 21 1H6 A 21 6.388 -5.737 -15.937 227 2H6 A 21 2H6 A 21 6.847 -4.400 -14.908 228 H2 A 21 H2 A 21 1.891 -5.770 -16.096 229 1H5* C 22 2H5* C 22 -2.521 -3.046 -10.789 230 2H5* C 22 1H5* C 22 -2.791 -4.374 -9.643 231 H4* C 22 H4* C 22 -3.363 -4.788 -12.139 232 H3* C 22 H3* C 22 -1.751 -6.592 -10.316 233 H2* C 22 H2* C 22 -1.378 -8.113 -12.098 234 2HO* C 22 HO2* C 22 -2.583 -7.186 -14.213 235 H1* C 22 H1* C 22 -0.772 -6.317 -14.024 236 1H4 C 22 1H4 C 22 4.735 -7.824 -11.192 237 2H4 C 22 2H4 C 22 4.444 -6.618 -9.958 238 H5 C 22 H5 C 22 2.394 -5.358 -9.801 239 H6 C 22 H6 C 22 0.188 -4.977 -10.798 240 1H5* G 23 2H5* G 23 -4.304 -8.602 -13.208 241 2H5* G 23 1H5* G 23 -4.945 -10.114 -12.536 242 H4* G 23 H4* G 23 -3.560 -10.232 -14.736 243 H3* G 23 H3* G 23 -3.103 -11.978 -12.283 244 H2* G 23 H2* G 23 -1.453 -13.145 -13.524 245 2HO* G 23 HO2* G 23 -2.772 -12.001 -15.764 246 H1* G 23 H1* G 23 -0.452 -10.949 -14.898 247 H8 G 23 H8 G 23 -0.645 -9.975 -11.323 248 H1 G 23 H1 G 23 4.309 -13.821 -12.487 249 1H2 G 23 1H2 G 23 4.084 -14.763 -14.481 250 2H2 G 23 2H2 G 23 2.716 -14.446 -15.523 251 1H5* U 24 2H5* U 24 -2.789 -14.408 -14.955 252 2H5* U 24 1H5* U 24 -3.876 -15.806 -14.966 253 H4* U 24 H4* U 24 -1.774 -16.828 -14.940 254 H3* U 24 H3* U 24 -2.791 -16.491 -12.098 255 H2* U 24 H2* U 24 -0.800 -17.382 -11.280 256 2HO* U 24 HO2* U 24 0.057 -18.449 -13.733 257 H1* U 24 H1* U 24 0.896 -16.619 -13.426 258 H3 U 24 H3 U 24 3.047 -15.198 -9.721 259 H5 U 24 H5 U 24 -0.470 -12.881 -9.784 260 H6 U 24 H6 U 24 -1.211 -14.171 -11.693 261 1H5* G 25 2H5* G 25 -0.759 -20.677 -13.233 262 2H5* G 25 1H5* G 25 -1.980 -21.756 -12.533 263 H4* G 25 H4* G 25 0.222 -22.574 -11.920 264 H3* G 25 H3* G 25 -1.337 -21.246 -9.667 265 H2* G 25 H2* G 25 0.425 -21.917 -8.193 266 2HO* G 25 HO2* G 25 2.110 -23.309 -8.947 267 H1* G 25 H1* G 25 2.477 -21.174 -9.823 268 H8 G 25 H8 G 25 -0.643 -18.945 -9.866 269 H1 G 25 H1 G 25 3.686 -17.254 -5.521 270 1H2 G 25 1H2 G 25 5.294 -18.768 -5.412 271 2H2 G 25 2H2 G 25 5.300 -20.205 -6.407 272 1H5* G 26 2H5* G 26 -0.580 -25.316 -7.821 273 2H5* G 26 1H5* G 26 -1.988 -25.462 -6.751 274 H4* G 26 H4* G 26 0.346 -25.342 -5.642 275 H3* G 26 H3* G 26 -2.051 -23.630 -4.907 276 H2* G 26 H2* G 26 -0.778 -22.487 -3.318 277 2HO* G 26 HO2* G 26 1.242 -23.495 -2.526 278 H1* G 26 H1* G 26 1.764 -22.786 -4.540 279 H8 G 26 H8 G 26 -0.830 -21.091 -6.691 280 H1 G 26 H1 G 26 1.867 -17.137 -2.495 281 1H2 G 26 1H2 G 26 3.083 -18.285 -1.038 282 2H2 G 26 2H2 G 26 3.230 -20.027 -1.104 283 1H5* U 27 2H5* U 27 0.469 -25.409 -1.240 284 2H5* U 27 1H5* U 27 -0.892 -26.053 -0.299 285 H4* U 27 H4* U 27 0.651 -24.823 1.162 286 H3* U 27 H3* U 27 -2.102 -23.640 0.662 287 H2* U 27 H2* U 27 -1.577 -21.842 2.124 288 2HO* U 27 HO2* U 27 0.926 -22.509 2.935 289 H1* U 27 H1* U 27 0.971 -21.401 1.262 290 H3 U 27 H3 U 27 -1.224 -17.849 -0.416 291 H5 U 27 H5 U 27 -2.687 -21.079 -2.694 292 H6 U 27 H6 U 27 -1.434 -22.578 -1.252 293 1H5* A 28 2H5* A 28 -1.143 -22.823 4.856 294 2H5* A 28 1H5* A 28 -2.624 -23.292 5.712 295 H4* A 28 H4* A 28 -1.914 -20.910 6.120 296 H3* A 28 H3* A 28 -4.603 -21.670 4.966 297 H2* A 28 H2* A 28 -5.158 -19.458 4.566 298 2HO* A 28 HO2* A 28 -3.255 -18.384 6.336 299 H1* A 28 H1* A 28 -2.550 -18.344 4.436 300 H8 A 28 H8 A 28 -3.534 -20.979 1.881 301 1H6 A 28 1H6 A 28 -5.493 -16.316 -1.647 302 2H6 A 28 2H6 A 28 -5.180 -18.036 -1.591 303 H2 A 28 H2 A 28 -4.443 -14.662 2.401 304 1H5* U 29 2H5* U 29 -4.392 -18.264 8.333 305 2H5* U 29 1H5* U 29 -5.716 -18.798 9.387 306 H4* U 29 H4* U 29 -5.862 -16.395 9.165 307 H3* U 29 H3* U 29 -7.943 -17.958 7.586 308 H2* U 29 H2* U 29 -8.926 -15.874 6.967 309 2HO* U 29 HO2* U 29 -7.649 -13.931 7.980 310 H1* U 29 H1* U 29 -6.608 -14.589 6.364 311 H3 U 29 H3 U 29 -8.548 -15.458 2.364 312 H5 U 29 H5 U 29 -7.022 -19.186 3.598 313 H6 U 29 H6 U 29 -6.457 -18.175 5.733 314 1H5* C 30 2H5* C 30 -9.410 -14.540 9.099 315 2H5* C 30 1H5* C 30 -11.052 -14.688 9.756 316 H4* C 30 H4* C 30 -10.808 -12.995 7.890 317 H3* C 30 H3* C 30 -12.705 -15.365 7.631 318 H2* C 30 H2* C 30 -13.438 -14.445 5.582 319 2HO* C 30 HO2* C 30 -12.996 -12.144 6.862 320 H1* C 30 H1* C 30 -10.977 -13.394 4.779 321 1H4 C 30 1H4 C 30 -12.065 -18.515 1.164 322 2H4 C 30 2H4 C 30 -11.407 -19.544 2.417 323 H5 C 30 H5 C 30 -10.762 -18.725 4.588 324 H6 C 30 H6 C 30 -10.619 -16.752 6.031 325 1H5* U 31 2H5* U 31 -14.520 -12.056 5.945 326 2H5* U 31 1H5* U 31 -16.090 -11.833 6.741 327 H4* U 31 H4* U 31 -16.551 -11.889 4.399 328 H3* U 31 H3* U 31 -17.144 -14.517 5.807 329 H2* U 31 H2* U 31 -17.785 -15.461 3.774 330 2HO* U 31 HO2* U 31 -18.107 -12.887 2.602 331 H1* U 31 H1* U 31 -16.201 -13.823 2.065 332 H3 U 31 H3 U 31 -15.108 -17.947 0.635 333 H5 U 31 H5 U 31 -13.979 -17.996 4.690 334 H6 U 31 H6 U 31 -14.917 -15.779 4.913 335 1H5* C 32 2H5* C 32 -20.422 -12.496 3.113 336 2H5* C 32 1H5* C 32 -21.988 -13.210 3.549 337 H4* C 32 H4* C 32 -21.252 -13.305 1.059 338 H3* C 32 H3* C 32 -22.214 -15.666 2.698 339 H2* C 32 H2* C 32 -22.059 -17.036 0.813 340 2HO* C 32 HO2* C 32 -21.487 -15.577 -1.258 341 H1* C 32 H1* C 32 -19.805 -15.802 -0.312 342 1H4 C 32 1H4 C 32 -17.836 -21.344 2.109 343 2H4 C 32 2H4 C 32 -17.877 -20.680 3.728 344 H5 C 32 H5 C 32 -18.700 -18.466 4.226 345 H6 C 32 H6 C 32 -19.660 -16.423 3.280 346 H3T C 32 H3T C 32 -24.020 -15.185 1.124 347 1H GLY 364 1HT GLY 364 -8.813 13.241 -17.219 348 2H GLY 364 2HT GLY 364 -7.503 13.995 -16.462 349 3H GLY 364 3HT GLY 364 -8.451 12.887 -15.605 350 1HA GLY 364 1HA GLY 364 -7.305 11.828 -18.033 351 2HA GLY 364 2HA GLY 364 -6.122 12.296 -16.821 352 H SER 365 H SER 365 -9.206 10.535 -17.084 353 HA SER 365 HA SER 365 -8.540 8.895 -14.795 354 1HB SER 365 2HB SER 365 -10.922 9.646 -16.128 355 2HB SER 365 1HB SER 365 -10.795 7.893 -16.268 356 HG SER 365 HG SER 365 -10.412 7.908 -13.947 357 H LEU 366 H LEU 366 -6.555 8.498 -16.528 358 HA LEU 366 HA LEU 366 -7.045 5.773 -17.494 359 1HB LEU 366 2HB LEU 366 -6.399 8.092 -19.064 360 2HB LEU 366 1HB LEU 366 -5.096 6.925 -19.166 361 HG LEU 366 HG LEU 366 -6.977 5.221 -19.709 362 1HD1 LEU 366 1HD1 LEU 366 -8.941 6.113 -20.726 363 2HD1 LEU 366 2HD1 LEU 366 -8.350 7.766 -20.551 364 3HD1 LEU 366 3HD1 LEU 366 -8.798 6.832 -19.122 365 1HD2 LEU 366 1HD2 LEU 366 -6.531 7.250 -21.847 366 2HD2 LEU 366 2HD2 LEU 366 -6.499 5.489 -21.946 367 3HD2 LEU 366 3HD2 LEU 366 -5.164 6.356 -21.185 368 H ASP 367 H ASP 367 -5.540 4.347 -16.843 369 HA ASP 367 HA ASP 367 -3.605 4.952 -14.951 370 1HB ASP 367 2HB ASP 367 -3.320 2.634 -16.853 371 2HB ASP 367 1HB ASP 367 -2.852 2.722 -15.158 372 H MET 368 H MET 368 -2.831 3.853 -18.251 373 HA MET 368 HA MET 368 -0.200 4.456 -18.389 374 1HB MET 368 2HB MET 368 -0.836 5.212 -20.866 375 2HB MET 368 1HB MET 368 -0.902 3.530 -20.354 376 1HG MET 368 2HG MET 368 -3.131 3.427 -20.532 377 2HG MET 368 1HG MET 368 -3.362 5.051 -19.884 378 1HE MET 368 1HE MET 368 -2.302 7.070 -21.245 379 2HE MET 368 2HE MET 368 -2.585 7.277 -22.973 380 3HE MET 368 3HE MET 368 -1.154 6.414 -22.412 381 H ASN 369 H ASN 369 -2.863 6.749 -18.805 382 HA ASN 369 HA ASN 369 -1.279 8.991 -19.450 383 1HB ASN 369 2HB ASN 369 -4.071 8.496 -18.655 384 2HB ASN 369 1HB ASN 369 -3.453 10.083 -18.206 385 1HD2 ASN 369 1HD2 ASN 369 -4.248 7.950 -20.823 386 2HD2 ASN 369 2HD2 ASN 369 -4.187 9.136 -22.078 387 H ALA 370 H ALA 370 -2.326 7.599 -16.395 388 HA ALA 370 HA ALA 370 -1.448 9.743 -14.757 389 1HB ALA 370 1HB ALA 370 -2.048 8.455 -12.951 390 2HB ALA 370 2HB ALA 370 -1.547 6.949 -13.719 391 3HB ALA 370 3HB ALA 370 -3.043 7.738 -14.218 392 H LYS 371 H LYS 371 -0.079 6.451 -14.759 393 HA LYS 371 HA LYS 371 2.298 6.867 -13.587 394 1HB LYS 371 2HB LYS 371 3.200 5.229 -15.502 395 2HB LYS 371 1HB LYS 371 2.130 4.677 -14.221 396 1HG LYS 371 2HG LYS 371 0.279 4.610 -15.623 397 2HG LYS 371 1HG LYS 371 1.022 5.681 -16.812 398 1HD LYS 371 2HD LYS 371 1.591 3.849 -17.950 399 2HD LYS 371 1HD LYS 371 2.749 3.510 -16.663 400 1HE LYS 371 2HE LYS 371 1.392 1.558 -17.019 401 2HE LYS 371 1HE LYS 371 0.977 2.266 -15.459 402 1HZ LYS 371 1HZ LYS 371 -0.972 3.255 -16.437 403 2HZ LYS 371 2HZ LYS 371 -0.981 1.591 -16.735 404 3HZ LYS 371 3HZ LYS 371 -0.558 2.667 -17.969 405 H ARG 372 H ARG 372 1.565 7.585 -16.969 406 HA ARG 372 HA ARG 372 4.133 8.486 -17.698 407 1HB ARG 372 2HB ARG 372 2.010 7.907 -19.139 408 2HB ARG 372 1HB ARG 372 1.670 9.623 -18.961 409 1HG ARG 372 2HG ARG 372 4.416 9.026 -19.774 410 2HG ARG 372 1HG ARG 372 3.185 8.514 -20.929 411 1HD ARG 372 2HD ARG 372 2.319 10.712 -21.112 412 2HD ARG 372 1HD ARG 372 3.258 11.272 -19.730 413 HE ARG 372 HE ARG 372 5.224 10.596 -21.327 414 1HH1 ARG 372 1HH1 ARG 372 2.251 12.230 -22.145 415 2HH1 ARG 372 2HH1 ARG 372 2.942 13.082 -23.483 416 1HH2 ARG 372 1HH2 ARG 372 6.135 11.717 -23.085 417 2HH2 ARG 372 2HH2 ARG 372 5.147 12.790 -24.019 418 H GLN 373 H GLN 373 1.282 10.195 -16.453 419 HA GLN 373 HA GLN 373 2.246 12.796 -16.714 420 1HB GLN 373 2HB GLN 373 0.002 11.570 -15.555 421 2HB GLN 373 1HB GLN 373 0.754 12.479 -14.250 422 1HG GLN 373 2HG GLN 373 -0.267 13.512 -16.880 423 2HG GLN 373 1HG GLN 373 -0.825 13.917 -15.260 424 1HE2 GLN 373 1HE2 GLN 373 1.855 14.134 -14.176 425 2HE2 GLN 373 2HE2 GLN 373 2.506 15.616 -14.778 426 H LEU 374 H LEU 374 2.661 10.455 -14.120 427 HA LEU 374 HA LEU 374 4.002 12.134 -12.321 428 1HB LEU 374 2HB LEU 374 4.704 9.263 -12.304 429 2HB LEU 374 1HB LEU 374 4.217 10.310 -10.986 430 HG LEU 374 HG LEU 374 2.390 9.030 -13.019 431 1HD1 LEU 374 1HD1 LEU 374 2.865 8.544 -10.090 432 2HD1 LEU 374 2HD1 LEU 374 3.104 7.417 -11.426 433 3HD1 LEU 374 3HD1 LEU 374 1.474 7.920 -10.976 434 1HD2 LEU 374 1HD2 LEU 374 0.625 9.973 -11.419 435 2HD2 LEU 374 2HD2 LEU 374 1.380 11.084 -12.561 436 3HD2 LEU 374 3HD2 LEU 374 1.898 11.066 -10.875 437 H TYR 375 H TYR 375 5.562 9.381 -13.969 438 HA TYR 375 HA TYR 375 8.134 10.591 -13.587 439 1HB TYR 375 2HB TYR 375 7.139 7.999 -14.666 440 2HB TYR 375 1HB TYR 375 8.785 8.492 -15.051 441 HD1 TYR 375 HD1 TYR 375 7.433 9.618 -11.894 442 HD2 TYR 375 HD2 TYR 375 9.547 6.460 -13.808 443 HE1 TYR 375 HE1 TYR 375 8.182 8.796 -9.698 444 HE2 TYR 375 HE2 TYR 375 10.300 5.629 -11.619 445 HH TYR 375 HH TYR 375 9.958 7.442 -8.748 446 H SER 376 H SER 376 5.899 10.463 -16.246 447 HA SER 376 HA SER 376 7.968 11.219 -18.147 448 1HB SER 376 2HB SER 376 5.765 9.704 -18.484 449 2HB SER 376 1HB SER 376 5.135 11.267 -19.001 450 HG SER 376 HG SER 376 7.608 10.736 -20.021 451 H LEU 377 H LEU 377 5.310 12.750 -16.401 452 HA LEU 377 HA LEU 377 5.935 15.253 -17.829 453 1HB LEU 377 2HB LEU 377 3.446 14.182 -16.601 454 2HB LEU 377 1HB LEU 377 3.682 15.918 -16.616 455 HG LEU 377 HG LEU 377 2.339 15.173 -18.520 456 1HD1 LEU 377 1HD1 LEU 377 4.844 16.634 -18.723 457 2HD1 LEU 377 2HD1 LEU 377 3.248 17.022 -19.366 458 3HD1 LEU 377 3HD1 LEU 377 4.322 15.948 -20.262 459 1HD2 LEU 377 1HD2 LEU 377 3.126 12.963 -18.883 460 2HD2 LEU 377 2HD2 LEU 377 4.776 13.524 -19.155 461 3HD2 LEU 377 3HD2 LEU 377 3.515 13.888 -20.333 462 H ILE 378 H ILE 378 6.271 13.688 -14.834 463 HA ILE 378 HA ILE 378 7.146 16.211 -13.647 464 HB ILE 378 HB ILE 378 5.413 14.314 -12.077 465 1HG1 ILE 378 2HG1 ILE 378 4.161 15.256 -14.001 466 2HG1 ILE 378 1HG1 ILE 378 3.552 15.818 -12.447 467 1HG2 ILE 378 1HG2 ILE 378 7.077 16.372 -11.289 468 2HG2 ILE 378 2HG2 ILE 378 5.757 15.680 -10.344 469 3HG2 ILE 378 3HG2 ILE 378 5.478 17.120 -11.327 470 1HD1 ILE 378 1HD1 ILE 378 4.133 17.956 -12.845 471 2HD1 ILE 378 2HD1 ILE 378 4.011 17.432 -14.523 472 3HD1 ILE 378 3HD1 ILE 378 5.587 17.512 -13.735 473 H GLY 379 H GLY 379 6.935 13.997 -11.184 474 1HA GLY 379 2HA GLY 379 9.238 13.650 -10.208 475 2HA GLY 379 1HA GLY 379 8.359 12.181 -10.576 476 H TYR 380 H TYR 380 10.827 14.405 -11.724 477 HA TYR 380 HA TYR 380 11.646 12.731 -13.898 478 1HB TYR 380 2HB TYR 380 13.790 14.304 -13.590 479 2HB TYR 380 1HB TYR 380 12.318 14.863 -14.374 480 HD1 TYR 380 HD1 TYR 380 14.462 15.163 -11.440 481 HD2 TYR 380 HD2 TYR 380 10.792 16.389 -13.207 482 HE1 TYR 380 HE1 TYR 380 14.298 16.999 -9.813 483 HE2 TYR 380 HE2 TYR 380 10.617 18.228 -11.585 484 HH TYR 380 HH TYR 380 12.912 19.481 -9.965 485 H ALA 381 H ALA 381 13.232 13.622 -10.836 486 HA ALA 381 HA ALA 381 13.857 11.292 -9.735 487 1HB ALA 381 1HB ALA 381 16.166 10.726 -10.699 488 2HB ALA 381 2HB ALA 381 15.656 11.659 -12.106 489 3HB ALA 381 3HB ALA 381 14.742 10.233 -11.615 490 H SER 382 H SER 382 13.822 14.137 -9.201 491 HA SER 382 HA SER 382 16.204 14.262 -7.559 492 1HB SER 382 2HB SER 382 16.116 15.632 -10.035 493 2HB SER 382 1HB SER 382 15.938 16.850 -8.771 494 HG SER 382 HG SER 382 17.808 15.614 -7.786 495 H LEU 383 H LEU 383 13.119 14.254 -7.487 496 HA LEU 383 HA LEU 383 12.880 16.498 -5.595 497 1HB LEU 383 2HB LEU 383 10.302 16.052 -6.308 498 2HB LEU 383 1HB LEU 383 11.325 17.292 -7.006 499 HG LEU 383 HG LEU 383 11.845 15.849 -8.895 500 1HD1 LEU 383 1HD1 LEU 383 11.642 13.646 -8.798 501 2HD1 LEU 383 2HD1 LEU 383 9.910 13.789 -8.504 502 3HD1 LEU 383 3HD1 LEU 383 11.037 13.797 -7.148 503 1HD2 LEU 383 1HD2 LEU 383 8.962 16.287 -8.202 504 2HD2 LEU 383 2HD2 LEU 383 9.425 15.533 -9.728 505 3HD2 LEU 383 3HD2 LEU 383 9.979 17.163 -9.346 506 H ARG 384 H ARG 384 13.625 13.662 -5.231 507 HA ARG 384 HA ARG 384 13.041 11.785 -4.033 508 1HB ARG 384 2HB ARG 384 12.863 12.274 -1.737 509 2HB ARG 384 1HB ARG 384 13.770 13.616 -2.420 510 1HG ARG 384 2HG ARG 384 10.920 14.127 -2.433 511 2HG ARG 384 1HG ARG 384 11.528 13.780 -0.815 512 1HD ARG 384 2HD ARG 384 12.828 15.761 -2.668 513 2HD ARG 384 1HD ARG 384 11.567 16.206 -1.519 514 HE ARG 384 HE ARG 384 13.361 14.961 0.047 515 1HH1 ARG 384 1HH1 ARG 384 13.677 17.481 -2.334 516 2HH1 ARG 384 2HH1 ARG 384 15.029 18.230 -1.551 517 1HH2 ARG 384 1HH2 ARG 384 15.140 15.939 1.089 518 2HH2 ARG 384 2HH2 ARG 384 15.859 17.355 0.396 519 H LEU 385 H LEU 385 10.997 12.336 -5.852 520 HA LEU 385 HA LEU 385 8.455 12.443 -4.606 521 1HB LEU 385 2HB LEU 385 9.236 12.808 -7.115 522 2HB LEU 385 1HB LEU 385 8.775 11.123 -7.245 523 HG LEU 385 HG LEU 385 6.853 13.071 -6.044 524 1HD1 LEU 385 1HD1 LEU 385 6.220 12.815 -8.767 525 2HD1 LEU 385 2HD1 LEU 385 7.923 13.275 -8.689 526 3HD1 LEU 385 3HD1 LEU 385 6.703 14.272 -7.898 527 1HD2 LEU 385 1HD2 LEU 385 6.845 10.338 -7.056 528 2HD2 LEU 385 2HD2 LEU 385 5.527 11.321 -7.695 529 3HD2 LEU 385 3HD2 LEU 385 5.729 11.143 -5.952 530 H HIS 386 H HIS 386 7.197 10.910 -3.785 531 HA HIS 386 HA HIS 386 7.434 8.158 -4.478 532 1HB HIS 386 2HB HIS 386 8.399 7.253 -2.505 533 2HB HIS 386 1HB HIS 386 9.478 8.536 -3.045 534 HD1 HIS 386 HD1 HIS 386 9.422 10.777 -1.643 535 HD2 HIS 386 HD2 HIS 386 7.322 7.594 0.005 536 HE1 HIS 386 HE1 HIS 386 9.008 11.416 0.753 537 HE2 HIS 386 HE2 HIS 386 7.835 9.426 1.759 538 H TYR 387 H TYR 387 5.660 7.070 -3.983 539 HA TYR 387 HA TYR 387 3.528 8.435 -2.563 540 1HB TYR 387 2HB TYR 387 3.692 5.814 -4.061 541 2HB TYR 387 1HB TYR 387 2.261 6.294 -3.161 542 HD1 TYR 387 HD1 TYR 387 4.425 8.519 -5.186 543 HD2 TYR 387 HD2 TYR 387 0.704 6.481 -4.904 544 HE1 TYR 387 HE1 TYR 387 3.615 9.733 -7.162 545 HE2 TYR 387 HE2 TYR 387 -0.118 7.687 -6.879 546 HH TYR 387 HH TYR 387 1.362 8.898 -9.031 547 H VAL 388 H VAL 388 2.182 6.741 -1.129 548 HA VAL 388 HA VAL 388 3.902 4.965 0.345 549 HB VAL 388 HB VAL 388 2.738 6.417 2.440 550 1HG1 VAL 388 1HG1 VAL 388 5.606 6.722 1.706 551 2HG1 VAL 388 2HG1 VAL 388 4.974 5.101 2.011 552 3HG1 VAL 388 3HG1 VAL 388 4.871 6.341 3.266 553 1HG2 VAL 388 1HG2 VAL 388 2.456 8.375 1.136 554 2HG2 VAL 388 2HG2 VAL 388 4.039 8.191 0.383 555 3HG2 VAL 388 3HG2 VAL 388 3.917 8.625 2.089 556 H THR 389 H THR 389 2.748 3.238 0.324 557 HA THR 389 HA THR 389 -0.104 3.198 0.339 558 HB THR 389 HB THR 389 1.993 1.049 0.541 559 HG1 THR 389 HG1 THR 389 -0.108 1.239 -1.346 560 1HG2 THR 389 1HG2 THR 389 0.076 0.412 1.991 561 2HG2 THR 389 2HG2 THR 389 0.276 -0.648 0.595 562 3HG2 THR 389 3HG2 THR 389 -0.989 0.582 0.595 563 H VAL 390 H VAL 390 -1.014 4.024 2.144 564 HA VAL 390 HA VAL 390 -0.139 2.939 4.729 565 HB VAL 390 HB VAL 390 -1.232 4.854 5.774 566 1HG1 VAL 390 1HG1 VAL 390 0.353 6.511 5.159 567 2HG1 VAL 390 2HG1 VAL 390 0.531 5.835 3.539 568 3HG1 VAL 390 3HG1 VAL 390 1.141 4.949 4.937 569 1HG2 VAL 390 1HG2 VAL 390 -1.840 6.733 4.025 570 2HG2 VAL 390 2HG2 VAL 390 -3.021 5.516 4.514 571 3HG2 VAL 390 3HG2 VAL 390 -2.152 5.341 2.988 572 H LYS 391 H LYS 391 -1.643 2.181 6.205 573 HA LYS 391 HA LYS 391 -3.624 1.334 6.982 574 1HB LYS 391 2HB LYS 391 -4.654 3.263 5.641 575 2HB LYS 391 1HB LYS 391 -4.936 2.073 4.379 576 1HG LYS 391 2HG LYS 391 -6.858 2.550 5.958 577 2HG LYS 391 1HG LYS 391 -6.438 0.855 5.705 578 1HD LYS 391 2HD LYS 391 -5.655 0.590 7.828 579 2HD LYS 391 1HD LYS 391 -5.110 2.264 7.951 580 1HE LYS 391 2HE LYS 391 -7.448 2.991 8.167 581 2HE LYS 391 1HE LYS 391 -7.968 1.308 8.085 582 1HZ LYS 391 1HZ LYS 391 -6.007 1.544 10.074 583 2HZ LYS 391 2HZ LYS 391 -7.637 1.131 10.251 584 3HZ LYS 391 3HZ LYS 391 -7.164 2.753 10.334 585 H LYS 392 H LYS 392 -1.837 -0.377 6.165 586 HA LYS 392 HA LYS 392 -1.952 -1.999 4.060 587 1HB LYS 392 2HB LYS 392 -1.817 -2.802 6.962 588 2HB LYS 392 1HB LYS 392 -1.594 -3.957 5.655 589 1HG LYS 392 2HG LYS 392 0.064 -1.637 5.256 590 2HG LYS 392 1HG LYS 392 0.348 -2.353 6.845 591 1HD LYS 392 2HD LYS 392 1.845 -3.388 5.292 592 2HD LYS 392 1HD LYS 392 0.601 -4.567 5.713 593 1HE LYS 392 2HE LYS 392 -0.616 -3.885 3.630 594 2HE LYS 392 1HE LYS 392 0.795 -2.922 3.197 595 1HZ LYS 392 1HZ LYS 392 1.406 -4.803 2.165 596 2HZ LYS 392 2HZ LYS 392 0.421 -5.794 3.118 597 3HZ LYS 392 3HZ LYS 392 1.923 -5.283 3.703 598 HA PRO 393 HA PRO 393 -6.114 -3.235 3.381 599 1HB PRO 393 2HB PRO 393 -4.845 -5.663 2.229 600 2HB PRO 393 1HB PRO 393 -6.029 -4.566 1.513 601 1HG PRO 393 2HG PRO 393 -3.464 -4.489 0.776 602 2HG PRO 393 1HG PRO 393 -4.425 -3.006 0.920 603 1HD PRO 393 2HD PRO 393 -2.339 -4.103 2.747 604 2HD PRO 393 1HD PRO 393 -2.719 -2.415 2.350 605 H THR 394 H THR 394 -7.499 -5.264 3.633 606 HA THR 394 HA THR 394 -6.537 -7.000 5.796 607 HB THR 394 HB THR 394 -8.292 -6.574 7.268 608 HG1 THR 394 HG1 THR 394 -10.236 -5.904 6.667 609 1HG2 THR 394 1HG2 THR 394 -7.804 -3.874 6.017 610 2HG2 THR 394 2HG2 THR 394 -6.689 -4.682 7.120 611 3HG2 THR 394 3HG2 THR 394 -8.291 -4.201 7.680 612 H ALA 395 H ALA 395 -7.664 -8.978 6.011 613 HA ALA 395 HA ALA 395 -8.740 -9.972 3.542 614 1HB ALA 395 1HB ALA 395 -9.150 -11.901 5.539 615 2HB ALA 395 2HB ALA 395 -7.626 -11.103 5.928 616 3HB ALA 395 3HB ALA 395 -7.854 -11.842 4.342 617 H VAL 396 H VAL 396 -10.097 -8.273 6.032 618 HA VAL 396 HA VAL 396 -12.768 -9.351 5.445 619 HB VAL 396 HB VAL 396 -13.478 -8.712 7.715 620 1HG1 VAL 396 1HG1 VAL 396 -13.068 -10.904 7.942 621 2HG1 VAL 396 2HG1 VAL 396 -11.644 -10.384 8.845 622 3HG1 VAL 396 3HG1 VAL 396 -11.504 -10.794 7.135 623 1HG2 VAL 396 1HG2 VAL 396 -11.950 -6.943 8.207 624 2HG2 VAL 396 2HG2 VAL 396 -10.566 -8.024 8.062 625 3HG2 VAL 396 3HG2 VAL 396 -11.697 -8.216 9.402 626 H ASP 397 H ASP 397 -10.836 -7.015 4.725 627 HA ASP 397 HA ASP 397 -12.731 -5.183 3.886 628 1HB ASP 397 2HB ASP 397 -11.719 -4.748 6.630 629 2HB ASP 397 1HB ASP 397 -11.676 -3.335 5.579 630 HA PRO 398 HA PRO 398 -8.364 -5.589 2.030 631 1HB PRO 398 2HB PRO 398 -10.309 -4.585 -0.025 632 2HB PRO 398 1HB PRO 398 -8.905 -5.638 -0.239 633 1HG PRO 398 2HG PRO 398 -11.412 -6.616 -0.060 634 2HG PRO 398 1HG PRO 398 -10.006 -7.494 0.564 635 1HD PRO 398 2HD PRO 398 -12.195 -6.226 2.033 636 2HD PRO 398 1HD PRO 398 -10.971 -7.371 2.615 637 H ASN 399 H ASN 399 -10.611 -3.065 0.980 638 HA ASN 399 HA ASN 399 -9.794 -0.903 0.310 639 1HB ASN 399 2HB ASN 399 -10.494 -0.838 3.243 640 2HB ASN 399 1HB ASN 399 -10.584 0.516 2.123 641 1HD2 ASN 399 1HD2 ASN 399 -12.199 0.549 0.553 642 2HD2 ASN 399 2HD2 ASN 399 -13.607 -0.443 0.673 643 H SER 400 H SER 400 -7.912 0.005 -0.067 644 HA SER 400 HA SER 400 -6.038 0.400 2.154 645 1HB SER 400 2HB SER 400 -4.728 -1.199 1.209 646 2HB SER 400 1HB SER 400 -5.561 -1.105 -0.342 647 HG SER 400 HG SER 400 -3.622 -0.254 -0.780 648 H ILE 401 H ILE 401 -4.741 2.310 1.949 649 HA ILE 401 HA ILE 401 -5.619 4.080 -0.217 650 HB ILE 401 HB ILE 401 -6.755 4.712 1.807 651 1HG1 ILE 401 2HG1 ILE 401 -5.424 7.042 2.110 652 2HG1 ILE 401 1HG1 ILE 401 -4.692 6.478 0.611 653 1HG2 ILE 401 1HG2 ILE 401 -4.027 4.556 2.964 654 2HG2 ILE 401 2HG2 ILE 401 -5.554 3.935 3.588 655 3HG2 ILE 401 3HG2 ILE 401 -5.203 5.662 3.669 656 1HD1 ILE 401 1HD1 ILE 401 -7.535 7.193 1.169 657 2HD1 ILE 401 2HD1 ILE 401 -7.116 6.136 -0.178 658 3HD1 ILE 401 3HD1 ILE 401 -6.465 7.772 -0.106 659 H VAL 402 H VAL 402 -4.104 5.072 -1.318 660 HA VAL 402 HA VAL 402 -1.311 4.749 -0.563 661 HB VAL 402 HB VAL 402 -2.070 6.181 -3.051 662 1HG1 VAL 402 1HG1 VAL 402 -0.258 4.837 -3.985 663 2HG1 VAL 402 2HG1 VAL 402 -0.110 3.968 -2.457 664 3HG1 VAL 402 3HG1 VAL 402 0.262 5.691 -2.531 665 1HG2 VAL 402 1HG2 VAL 402 -2.295 3.704 -4.006 666 2HG2 VAL 402 2HG2 VAL 402 -3.685 4.643 -3.461 667 3HG2 VAL 402 3HG2 VAL 402 -2.966 3.436 -2.396 668 H GLU 403 H GLU 403 0.169 6.622 -0.817 669 HA GLU 403 HA GLU 403 -1.114 9.224 -0.402 670 1HB GLU 403 2HB GLU 403 0.562 7.751 1.544 671 2HB GLU 403 1HB GLU 403 0.907 9.465 1.356 672 1HG GLU 403 2HG GLU 403 -1.863 9.309 1.543 673 2HG GLU 403 1HG GLU 403 -1.256 8.164 2.738 674 H CYS 404 H CYS 404 -0.428 10.037 -2.316 675 HA CYS 404 HA CYS 404 2.307 9.776 -3.182 676 1HB CYS 404 2HB CYS 404 0.720 11.915 -4.435 677 2HB CYS 404 1HB CYS 404 1.605 10.591 -5.179 678 HG CYS 404 HG CYS 404 -0.593 9.646 -5.661 679 H ARG 405 H ARG 405 3.863 10.867 -2.192 680 HA ARG 405 HA ARG 405 3.458 13.696 -1.636 681 1HB ARG 405 2HB ARG 405 2.798 12.322 0.396 682 2HB ARG 405 1HB ARG 405 4.495 11.881 0.531 683 1HG ARG 405 2HG ARG 405 5.135 14.157 0.891 684 2HG ARG 405 1HG ARG 405 3.501 14.721 0.536 685 1HD ARG 405 2HD ARG 405 4.107 14.619 2.976 686 2HD ARG 405 1HD ARG 405 2.640 13.753 2.520 687 HE ARG 405 HE ARG 405 4.772 11.955 2.422 688 1HH1 ARG 405 1HH1 ARG 405 3.007 13.829 4.766 689 2HH1 ARG 405 2HH1 ARG 405 3.300 12.722 6.065 690 1HH2 ARG 405 1HH2 ARG 405 5.167 10.490 4.124 691 2HH2 ARG 405 2HH2 ARG 405 4.528 10.821 5.699 692 H VAL 406 H VAL 406 5.451 14.809 -1.048 693 HA VAL 406 HA VAL 406 7.870 13.443 -2.028 694 HB VAL 406 HB VAL 406 8.329 16.009 -2.782 695 1HG1 VAL 406 1HG1 VAL 406 7.125 13.702 -4.269 696 2HG1 VAL 406 2HG1 VAL 406 8.798 14.263 -4.262 697 3HG1 VAL 406 3HG1 VAL 406 7.554 15.207 -5.084 698 1HG2 VAL 406 1HG2 VAL 406 5.853 16.399 -2.101 699 2HG2 VAL 406 2HG2 VAL 406 5.493 15.600 -3.632 700 3HG2 VAL 406 3HG2 VAL 406 6.452 17.082 -3.614 701 H GLY 407 H GLY 407 9.584 13.625 -0.709 702 1HA GLY 407 2HA GLY 407 9.717 14.368 1.804 703 2HA GLY 407 1HA GLY 407 11.075 14.680 0.743 704 H ASP 408 H ASP 408 9.722 16.745 -0.794 705 HA ASP 408 HA ASP 408 10.481 19.000 0.637 706 1HB ASP 408 2HB ASP 408 8.965 18.476 -1.841 707 2HB ASP 408 1HB ASP 408 8.624 20.025 -1.077 708 H GLY 409 H GLY 409 7.683 17.084 0.897 709 1HA GLY 409 2HA GLY 409 6.237 17.238 2.769 710 2HA GLY 409 1HA GLY 409 6.571 18.962 2.851 711 H THR 410 H THR 410 5.803 17.260 -0.107 712 HA THR 410 HA THR 410 3.205 18.652 -0.152 713 HB THR 410 HB THR 410 5.141 18.226 -2.428 714 HG1 THR 410 HG1 THR 410 5.361 20.116 -0.979 715 1HG2 THR 410 1HG2 THR 410 2.271 19.127 -2.455 716 2HG2 THR 410 2HG2 THR 410 3.014 17.820 -3.376 717 3HG2 THR 410 3HG2 THR 410 3.401 19.497 -3.758 718 H VAL 411 H VAL 411 1.524 17.353 -0.250 719 HA VAL 411 HA VAL 411 1.852 14.545 -0.988 720 HB VAL 411 HB VAL 411 -0.623 15.960 0.016 721 1HG1 VAL 411 1HG1 VAL 411 -1.678 14.013 -0.197 722 2HG1 VAL 411 2HG1 VAL 411 -0.389 13.163 0.656 723 3HG1 VAL 411 3HG1 VAL 411 -0.276 13.413 -1.084 724 1HG2 VAL 411 1HG2 VAL 411 1.795 15.189 1.392 725 2HG2 VAL 411 2HG2 VAL 411 0.393 14.333 2.033 726 3HG2 VAL 411 3HG2 VAL 411 0.404 16.096 1.986 727 H LEU 412 H LEU 412 2.175 14.854 -3.251 728 HA LEU 412 HA LEU 412 0.731 16.270 -5.053 729 1HB LEU 412 2HB LEU 412 1.511 13.398 -5.514 730 2HB LEU 412 1HB LEU 412 1.290 14.641 -6.730 731 HG LEU 412 HG LEU 412 3.508 14.894 -6.667 732 1HD1 LEU 412 1HD1 LEU 412 4.239 16.586 -5.357 733 2HD1 LEU 412 2HD1 LEU 412 3.602 15.868 -3.878 734 3HD1 LEU 412 3HD1 LEU 412 2.521 16.716 -4.981 735 1HD2 LEU 412 1HD2 LEU 412 4.473 14.017 -4.178 736 2HD2 LEU 412 2HD2 LEU 412 4.561 13.189 -5.732 737 3HD2 LEU 412 3HD2 LEU 412 3.198 12.895 -4.651 738 H GLY 413 H GLY 413 -0.436 13.607 -3.174 739 1HA GLY 413 2HA GLY 413 -3.088 14.068 -3.509 740 2HA GLY 413 1HA GLY 413 -2.688 13.073 -4.899 741 H THR 414 H THR 414 -4.424 11.832 -3.670 742 HA THR 414 HA THR 414 -3.062 9.764 -2.114 743 HB THR 414 HB THR 414 -5.730 10.215 -1.063 744 HG1 THR 414 HG1 THR 414 -5.396 12.399 -1.277 745 1HG2 THR 414 1HG2 THR 414 -4.031 10.516 1.025 746 2HG2 THR 414 2HG2 THR 414 -3.009 9.630 -0.107 747 3HG2 THR 414 3HG2 THR 414 -4.561 8.956 0.395 748 H GLY 415 H GLY 415 -4.655 7.854 -1.784 749 1HA GLY 415 2HA GLY 415 -6.750 7.666 -3.773 750 2HA GLY 415 1HA GLY 415 -5.322 6.725 -4.172 751 H VAL 416 H VAL 416 -8.140 5.979 -3.466 752 HA VAL 416 HA VAL 416 -7.431 4.001 -1.406 753 HB VAL 416 HB VAL 416 -8.926 5.895 -0.541 754 1HG1 VAL 416 1HG1 VAL 416 -11.289 5.756 -1.051 755 2HG1 VAL 416 2HG1 VAL 416 -10.994 4.422 -2.166 756 3HG1 VAL 416 3HG1 VAL 416 -10.368 6.030 -2.530 757 1HG2 VAL 416 1HG2 VAL 416 -8.623 3.753 0.613 758 2HG2 VAL 416 2HG2 VAL 416 -9.929 3.055 -0.344 759 3HG2 VAL 416 3HG2 VAL 416 -10.269 4.358 0.795 760 H GLY 417 H GLY 417 -8.651 1.994 -1.567 761 1HA GLY 417 2HA GLY 417 -10.487 1.559 -3.711 762 2HA GLY 417 1HA GLY 417 -8.884 0.981 -4.133 763 H ARG 418 H ARG 418 -11.341 -0.530 -3.814 764 HA ARG 418 HA ARG 418 -11.252 -1.968 -1.353 765 1HB ARG 418 2HB ARG 418 -12.396 -3.413 -3.635 766 2HB ARG 418 1HB ARG 418 -13.119 -3.000 -2.087 767 1HG ARG 418 2HG ARG 418 -13.366 -0.644 -3.003 768 2HG ARG 418 1HG ARG 418 -12.978 -1.338 -4.579 769 1HD ARG 418 2HD ARG 418 -15.300 -2.026 -2.788 770 2HD ARG 418 1HD ARG 418 -15.358 -1.248 -4.369 771 HE ARG 418 HE ARG 418 -15.045 -4.070 -3.821 772 1HH1 ARG 418 1HH1 ARG 418 -14.716 -1.508 -6.156 773 2HH1 ARG 418 2HH1 ARG 418 -14.807 -2.567 -7.524 774 1HH2 ARG 418 1HH2 ARG 418 -15.167 -5.475 -5.615 775 2HH2 ARG 418 2HH2 ARG 418 -15.063 -4.823 -7.217 776 H ASN 419 H ASN 419 -10.303 -2.862 -4.672 777 HA ASN 419 HA ASN 419 -8.953 -5.235 -3.793 778 1HB ASN 419 2HB ASN 419 -8.291 -4.104 -6.450 779 2HB ASN 419 1HB ASN 419 -8.747 -5.746 -6.007 780 1HD2 ASN 419 1HD2 ASN 419 -9.667 -3.320 -7.854 781 2HD2 ASN 419 2HD2 ASN 419 -11.385 -3.500 -7.812 782 H ILE 420 H ILE 420 -8.194 -1.926 -4.168 783 HA ILE 420 HA ILE 420 -6.406 -0.844 -3.202 784 HB ILE 420 HB ILE 420 -4.414 -1.759 -2.576 785 1HG1 ILE 420 2HG1 ILE 420 -3.778 -4.154 -3.526 786 2HG1 ILE 420 1HG1 ILE 420 -4.796 -3.631 -4.863 787 1HG2 ILE 420 1HG2 ILE 420 -5.233 -3.097 -1.022 788 2HG2 ILE 420 2HG2 ILE 420 -5.413 -4.403 -2.192 789 3HG2 ILE 420 3HG2 ILE 420 -6.718 -3.240 -1.962 790 1HD1 ILE 420 1HD1 ILE 420 -2.750 -2.918 -5.573 791 2HD1 ILE 420 2HD1 ILE 420 -2.185 -2.559 -3.942 792 3HD1 ILE 420 3HD1 ILE 420 -3.320 -1.469 -4.740 793 H LYS 421 H LYS 421 -5.974 -2.877 -6.092 794 HA LYS 421 HA LYS 421 -4.019 -1.344 -7.343 795 1HB LYS 421 2HB LYS 421 -4.306 -2.880 -8.924 796 2HB LYS 421 1HB LYS 421 -5.765 -3.444 -8.127 797 1HG LYS 421 2HG LYS 421 -5.720 -1.168 -10.091 798 2HG LYS 421 1HG LYS 421 -6.002 -2.850 -10.549 799 1HD LYS 421 2HD LYS 421 -7.706 -2.273 -8.370 800 2HD LYS 421 1HD LYS 421 -7.847 -0.936 -9.512 801 1HE LYS 421 2HE LYS 421 -7.855 -3.655 -10.669 802 2HE LYS 421 1HE LYS 421 -9.265 -3.216 -9.703 803 1HZ LYS 421 1HZ LYS 421 -8.484 -1.158 -11.542 804 2HZ LYS 421 2HZ LYS 421 -10.000 -1.864 -11.294 805 3HZ LYS 421 3HZ LYS 421 -8.881 -2.607 -12.321 806 H ILE 422 H ILE 422 -7.494 -0.895 -7.147 807 HA ILE 422 HA ILE 422 -7.691 1.334 -8.860 808 HB ILE 422 HB ILE 422 -9.381 1.532 -6.472 809 1HG1 ILE 422 2HG1 ILE 422 -10.788 -0.478 -7.419 810 2HG1 ILE 422 1HG1 ILE 422 -9.218 -1.040 -7.992 811 1HG2 ILE 422 1HG2 ILE 422 -9.991 1.278 -9.411 812 2HG2 ILE 422 2HG2 ILE 422 -9.801 2.781 -8.505 813 3HG2 ILE 422 3HG2 ILE 422 -11.152 1.701 -8.151 814 1HD1 ILE 422 1HD1 ILE 422 -9.054 -2.002 -5.993 815 2HD1 ILE 422 2HD1 ILE 422 -10.331 -1.003 -5.301 816 3HD1 ILE 422 3HD1 ILE 422 -8.679 -0.384 -5.396 817 H ALA 423 H ALA 423 -6.763 0.835 -5.545 818 HA ALA 423 HA ALA 423 -6.546 3.574 -4.819 819 1HB ALA 423 1HB ALA 423 -6.391 1.147 -3.496 820 2HB ALA 423 2HB ALA 423 -6.112 2.743 -2.793 821 3HB ALA 423 3HB ALA 423 -4.751 1.793 -3.393 822 H GLY 424 H GLY 424 -4.419 1.155 -6.255 823 1HA GLY 424 2HA GLY 424 -2.019 2.670 -6.107 824 2HA GLY 424 1HA GLY 424 -2.341 1.358 -7.236 825 H ILE 425 H ILE 425 -3.964 1.982 -9.017 826 HA ILE 425 HA ILE 425 -2.848 3.968 -10.615 827 HB ILE 425 HB ILE 425 -5.586 2.708 -10.671 828 1HG1 ILE 425 2HG1 ILE 425 -4.238 2.088 -12.994 829 2HG1 ILE 425 1HG1 ILE 425 -2.943 2.139 -11.803 830 1HG2 ILE 425 1HG2 ILE 425 -6.318 4.318 -12.018 831 2HG2 ILE 425 2HG2 ILE 425 -5.071 3.860 -13.178 832 3HG2 ILE 425 3HG2 ILE 425 -4.748 5.119 -11.985 833 1HD1 ILE 425 1HD1 ILE 425 -5.409 0.423 -11.743 834 2HD1 ILE 425 2HD1 ILE 425 -4.268 0.563 -10.405 835 3HD1 ILE 425 3HD1 ILE 425 -3.736 -0.097 -11.951 836 H ARG 426 H ARG 426 -5.756 4.113 -8.568 837 HA ARG 426 HA ARG 426 -6.605 6.679 -9.105 838 1HB ARG 426 2HB ARG 426 -7.882 5.202 -7.668 839 2HB ARG 426 1HB ARG 426 -6.600 5.206 -6.463 840 1HG ARG 426 2HG ARG 426 -8.306 6.635 -5.672 841 2HG ARG 426 1HG ARG 426 -6.979 7.669 -6.207 842 1HD ARG 426 2HD ARG 426 -8.264 8.668 -7.730 843 2HD ARG 426 1HD ARG 426 -8.827 7.121 -8.361 844 HE ARG 426 HE ARG 426 -10.244 8.868 -6.633 845 1HH1 ARG 426 1HH1 ARG 426 -9.716 5.490 -7.321 846 2HH1 ARG 426 2HH1 ARG 426 -11.249 4.992 -6.688 847 1HH2 ARG 426 1HH2 ARG 426 -12.256 8.218 -5.793 848 2HH2 ARG 426 2HH2 ARG 426 -12.692 6.543 -5.818 849 H ALA 427 H ALA 427 -4.208 5.647 -6.678 850 HA ALA 427 HA ALA 427 -3.575 8.091 -5.577 851 1HB ALA 427 1HB ALA 427 -2.634 5.699 -5.090 852 2HB ALA 427 2HB ALA 427 -1.653 7.123 -4.743 853 3HB ALA 427 3HB ALA 427 -1.362 6.187 -6.210 854 H ALA 428 H ALA 428 -2.339 6.600 -8.536 855 HA ALA 428 HA ALA 428 -0.469 8.549 -9.245 856 1HB ALA 428 1HB ALA 428 -0.594 7.682 -11.485 857 2HB ALA 428 2HB ALA 428 -2.160 6.940 -11.154 858 3HB ALA 428 3HB ALA 428 -0.710 6.339 -10.349 859 H GLU 429 H GLU 429 -3.686 8.175 -10.749 860 HA GLU 429 HA GLU 429 -3.876 10.524 -12.089 861 1HB GLU 429 2HB GLU 429 -5.635 8.509 -11.442 862 2HB GLU 429 1HB GLU 429 -6.363 9.913 -10.673 863 1HG GLU 429 2HG GLU 429 -5.692 10.876 -13.144 864 2HG GLU 429 1HG GLU 429 -6.159 9.212 -13.493 865 H ASN 430 H ASN 430 -3.952 10.081 -8.661 866 HA ASN 430 HA ASN 430 -5.056 12.672 -8.078 867 1HB ASN 430 2HB ASN 430 -4.005 10.383 -6.493 868 2HB ASN 430 1HB ASN 430 -4.014 11.969 -5.728 869 1HD2 ASN 430 1HD2 ASN 430 -5.961 9.430 -7.090 870 2HD2 ASN 430 2HD2 ASN 430 -7.467 9.951 -6.421 871 H ALA 431 H ALA 431 -1.862 11.251 -8.399 872 HA ALA 431 HA ALA 431 -0.402 13.353 -7.199 873 1HB ALA 431 1HB ALA 431 0.792 11.363 -7.463 874 2HB ALA 431 2HB ALA 431 1.500 12.451 -8.657 875 3HB ALA 431 3HB ALA 431 0.349 11.214 -9.163 876 H LEU 432 H LEU 432 -1.468 12.748 -10.505 877 HA LEU 432 HA LEU 432 -0.349 15.324 -11.306 878 1HB LEU 432 2HB LEU 432 -0.923 14.683 -13.610 879 2HB LEU 432 1HB LEU 432 0.173 13.560 -12.839 880 HG LEU 432 HG LEU 432 -1.600 12.532 -14.288 881 1HD1 LEU 432 1HD1 LEU 432 -1.245 10.690 -13.118 882 2HD1 LEU 432 2HD1 LEU 432 -2.248 11.278 -11.795 883 3HD1 LEU 432 3HD1 LEU 432 -0.539 11.695 -11.852 884 1HD2 LEU 432 1HD2 LEU 432 -3.846 12.345 -13.467 885 2HD2 LEU 432 2HD2 LEU 432 -3.428 14.053 -13.597 886 3HD2 LEU 432 3HD2 LEU 432 -3.440 13.266 -12.020 887 H ARG 433 H ARG 433 -2.624 14.957 -9.531 888 HA ARG 433 HA ARG 433 -4.838 16.063 -11.090 889 1HB ARG 433 2HB ARG 433 -5.231 14.215 -9.434 890 2HB ARG 433 1HB ARG 433 -4.779 15.334 -8.157 891 1HG ARG 433 2HG ARG 433 -6.680 16.781 -9.396 892 2HG ARG 433 1HG ARG 433 -7.263 15.147 -9.723 893 1HD ARG 433 2HD ARG 433 -7.589 14.671 -7.496 894 2HD ARG 433 1HD ARG 433 -6.392 15.849 -6.960 895 HE ARG 433 HE ARG 433 -8.572 17.167 -8.181 896 1HH1 ARG 433 1HH1 ARG 433 -7.699 15.453 -5.281 897 2HH1 ARG 433 2HH1 ARG 433 -8.856 16.276 -4.289 898 1HH2 ARG 433 1HH2 ARG 433 -10.103 18.259 -6.884 899 2HH2 ARG 433 2HH2 ARG 433 -10.224 17.869 -5.201 900 H ASP 434 H ASP 434 -2.181 17.098 -9.359 901 HA ASP 434 HA ASP 434 -3.452 19.595 -8.490 902 1HB ASP 434 2HB ASP 434 -0.818 18.291 -7.820 903 2HB ASP 434 1HB ASP 434 -1.161 19.967 -7.403 904 H LYS 435 H LYS 435 -3.630 20.792 -10.325 905 HA LYS 435 HA LYS 435 -1.901 20.960 -12.463 906 1HB LYS 435 2HB LYS 435 -3.104 22.812 -13.154 907 2HB LYS 435 1HB LYS 435 -4.244 22.033 -12.065 908 1HG LYS 435 2HG LYS 435 -3.582 23.573 -10.280 909 2HG LYS 435 1HG LYS 435 -2.461 24.365 -11.391 910 1HD LYS 435 2HD LYS 435 -4.576 25.595 -11.185 911 2HD LYS 435 1HD LYS 435 -4.315 25.009 -12.828 912 1HE LYS 435 2HE LYS 435 -6.636 24.685 -12.081 913 2HE LYS 435 1HE LYS 435 -5.830 23.160 -12.444 914 1HZ LYS 435 1HZ LYS 435 -7.148 23.105 -10.381 915 2HZ LYS 435 2HZ LYS 435 -6.138 24.285 -9.714 916 3HZ LYS 435 3HZ LYS 435 -5.511 22.766 -10.116 917 H LYS 436 H LYS 436 -1.945 23.052 -9.581 918 HA LYS 436 HA LYS 436 0.194 24.692 -10.260 919 1HB LYS 436 2HB LYS 436 -0.743 23.763 -7.543 920 2HB LYS 436 1HB LYS 436 0.433 25.047 -7.791 921 1HG LYS 436 2HG LYS 436 -2.221 25.228 -9.133 922 2HG LYS 436 1HG LYS 436 -2.087 25.606 -7.415 923 1HD LYS 436 2HD LYS 436 0.036 26.968 -8.498 924 2HD LYS 436 1HD LYS 436 -1.202 27.126 -9.745 925 1HE LYS 436 2HE LYS 436 -2.508 28.444 -8.467 926 2HE LYS 436 1HE LYS 436 -2.129 27.562 -6.988 927 1HZ LYS 436 1HZ LYS 436 -0.137 29.327 -8.266 928 2HZ LYS 436 2HZ LYS 436 -0.198 28.788 -6.664 929 3HZ LYS 436 3HZ LYS 436 -1.301 29.949 -7.208 930 H MET 437 H MET 437 0.222 21.686 -8.358 931 HA MET 437 HA MET 437 3.024 21.626 -7.984 932 1HB MET 437 2HB MET 437 1.690 20.359 -6.488 933 2HB MET 437 1HB MET 437 0.873 19.525 -7.803 934 1HG MET 437 2HG MET 437 3.499 18.851 -8.205 935 2HG MET 437 1HG MET 437 3.370 18.898 -6.448 936 1HE MET 437 1HE MET 437 1.924 16.993 -9.756 937 2HE MET 437 2HE MET 437 2.443 15.483 -9.005 938 3HE MET 437 3HE MET 437 3.574 16.829 -9.155 939 H LEU 438 H LEU 438 0.888 20.104 -10.364 940 HA LEU 438 HA LEU 438 2.822 18.565 -11.692 941 1HB LEU 438 2HB LEU 438 0.199 19.746 -12.530 942 2HB LEU 438 1HB LEU 438 1.202 18.884 -13.676 943 HG LEU 438 HG LEU 438 0.198 17.681 -11.104 944 1HD1 LEU 438 1HD1 LEU 438 -1.783 17.466 -12.066 945 2HD1 LEU 438 2HD1 LEU 438 -1.033 16.507 -13.345 946 3HD1 LEU 438 3HD1 LEU 438 -1.197 18.254 -13.529 947 1HD2 LEU 438 1HD2 LEU 438 2.128 16.869 -13.039 948 2HD2 LEU 438 2HD2 LEU 438 0.742 15.781 -13.118 949 3HD2 LEU 438 3HD2 LEU 438 1.588 16.023 -11.590 950 H ASP 439 H ASP 439 1.453 21.715 -12.573 951 HA ASP 439 HA ASP 439 3.209 22.177 -14.736 952 1HB ASP 439 2HB ASP 439 0.957 23.308 -14.238 953 2HB ASP 439 1HB ASP 439 1.856 24.348 -13.137 954 H PHE 440 H PHE 440 3.441 22.653 -11.314 955 HA PHE 440 HA PHE 440 5.478 24.577 -11.211 956 1HB PHE 440 2HB PHE 440 4.506 24.168 -9.143 957 2HB PHE 440 1HB PHE 440 4.522 22.422 -9.365 958 HD1 PHE 440 HD1 PHE 440 6.040 21.190 -8.176 959 HD2 PHE 440 HD2 PHE 440 6.904 25.270 -9.016 960 HE1 PHE 440 HE1 PHE 440 8.091 21.029 -6.823 961 HE2 PHE 440 HE2 PHE 440 8.956 25.119 -7.665 962 HZ PHE 440 HZ PHE 440 9.552 22.996 -6.568 963 H TYR 441 H TYR 441 5.626 21.034 -11.312 964 HA TYR 441 HA TYR 441 8.489 20.975 -11.387 965 1HB TYR 441 2HB TYR 441 6.390 18.861 -11.896 966 2HB TYR 441 1HB TYR 441 8.121 18.540 -11.955 967 HD1 TYR 441 HD1 TYR 441 5.304 18.420 -9.910 968 HD2 TYR 441 HD2 TYR 441 9.433 19.432 -9.809 969 HE1 TYR 441 HE1 TYR 441 5.317 18.094 -7.474 970 HE2 TYR 441 HE2 TYR 441 9.463 19.105 -7.375 971 HH TYR 441 HH TYR 441 7.669 19.214 -5.480 972 H ALA 442 H ALA 442 5.898 20.892 -13.772 973 HA ALA 442 HA ALA 442 7.231 20.049 -16.020 974 1HB ALA 442 1HB ALA 442 4.800 20.745 -15.830 975 2HB ALA 442 2HB ALA 442 5.626 21.189 -17.324 976 3HB ALA 442 3HB ALA 442 5.357 22.401 -16.071 977 H LYS 443 H LYS 443 7.072 23.379 -14.762 978 HA LYS 443 HA LYS 443 8.961 24.383 -16.665 979 1HB LYS 443 2HB LYS 443 8.698 25.910 -14.172 980 2HB LYS 443 1HB LYS 443 8.456 26.423 -15.835 981 1HG LYS 443 2HG LYS 443 6.242 25.148 -15.710 982 2HG LYS 443 1HG LYS 443 6.503 25.144 -13.965 983 1HD LYS 443 2HD LYS 443 5.186 27.039 -14.348 984 2HD LYS 443 1HD LYS 443 6.825 27.672 -14.189 985 1HE LYS 443 2HE LYS 443 6.753 27.239 -16.840 986 2HE LYS 443 1HE LYS 443 5.045 27.561 -16.544 987 1HZ LYS 443 1HZ LYS 443 6.625 29.510 -17.072 988 2HZ LYS 443 2HZ LYS 443 7.093 29.372 -15.452 989 3HZ LYS 443 3HZ LYS 443 5.479 29.696 -15.841 990 H GLN 444 H GLN 444 9.092 23.519 -13.230 991 HA GLN 444 HA GLN 444 11.726 24.164 -12.684 992 1HB GLN 444 2HB GLN 444 9.677 22.400 -11.546 993 2HB GLN 444 1HB GLN 444 11.321 21.872 -11.217 994 1HG GLN 444 2HG GLN 444 11.054 24.702 -10.779 995 2HG GLN 444 1HG GLN 444 9.855 23.799 -9.850 996 1HE2 GLN 444 1HE2 GLN 444 12.948 22.514 -10.778 997 2HE2 GLN 444 2HE2 GLN 444 13.621 22.445 -9.192 998 H ARG 445 H ARG 445 10.472 21.727 -14.720 999 HA ARG 445 HA ARG 445 12.854 20.072 -14.658 1000 1HB ARG 445 2HB ARG 445 10.124 19.818 -15.618 1001 2HB ARG 445 1HB ARG 445 11.283 19.297 -16.832 1002 1HG ARG 445 2HG ARG 445 11.265 18.296 -13.995 1003 2HG ARG 445 1HG ARG 445 10.454 17.489 -15.337 1004 1HD ARG 445 2HD ARG 445 13.263 18.176 -15.830 1005 2HD ARG 445 1HD ARG 445 13.008 16.998 -14.544 1006 HE ARG 445 HE ARG 445 11.508 15.958 -16.470 1007 1HH1 ARG 445 1HH1 ARG 445 14.724 17.285 -16.589 1008 2HH1 ARG 445 2HH1 ARG 445 15.230 16.284 -17.909 1009 1HH2 ARG 445 1HH2 ARG 445 12.167 14.627 -18.210 1010 2HH2 ARG 445 2HH2 ARG 445 13.779 14.774 -18.828 1011 H ALA 446 H ALA 446 11.080 21.901 -17.153 1012 HA ALA 446 HA ALA 446 12.953 21.703 -19.183 1013 1HB ALA 446 1HB ALA 446 11.790 23.373 -20.302 1014 2HB ALA 446 2HB ALA 446 11.355 24.208 -18.811 1015 3HB ALA 446 3HB ALA 446 10.572 22.686 -19.230 1016 H ALA 447 H ALA 447 13.077 23.568 -16.290 1017 HA ALA 447 HA ALA 447 15.040 25.443 -17.261 1018 1HB ALA 447 1HB ALA 447 13.562 26.232 -15.559 1019 2HB ALA 447 2HB ALA 447 15.180 26.134 -14.864 1020 3HB ALA 447 3HB ALA 447 13.985 24.891 -14.494 1021 H ILE 448 H ILE 448 15.110 22.913 -14.742 1022 HA ILE 448 HA ILE 448 17.712 22.849 -14.060 1023 HB ILE 448 HB ILE 448 17.549 20.393 -13.790 1024 1HG1 ILE 448 2HG1 ILE 448 14.718 20.466 -14.720 1025 2HG1 ILE 448 1HG1 ILE 448 15.983 20.337 -15.938 1026 1HG2 ILE 448 1HG2 ILE 448 16.582 20.955 -11.876 1027 2HG2 ILE 448 2HG2 ILE 448 15.009 20.889 -12.672 1028 3HG2 ILE 448 3HG2 ILE 448 15.906 22.406 -12.616 1029 1HD1 ILE 448 1HD1 ILE 448 14.872 18.209 -14.878 1030 2HD1 ILE 448 2HD1 ILE 448 16.068 18.491 -13.615 1031 3HD1 ILE 448 3HD1 ILE 448 16.588 18.241 -15.281 1032 HA PRO 449 HA PRO 449 20.250 22.441 -17.646 1033 1HB PRO 449 2HB PRO 449 21.895 20.851 -15.726 1034 2HB PRO 449 1HB PRO 449 22.383 22.166 -16.802 1035 1HG PRO 449 2HG PRO 449 22.071 22.614 -14.208 1036 2HG PRO 449 1HG PRO 449 21.513 23.806 -15.398 1037 1HD PRO 449 2HD PRO 449 19.932 21.864 -13.773 1038 2HD PRO 449 1HD PRO 449 19.519 23.515 -14.280 1039 H ARG 450 H ARG 450 21.894 20.370 -18.246 1040 HA ARG 450 HA ARG 450 19.989 18.199 -18.745 1041 1HB ARG 450 2HB ARG 450 22.319 19.315 -20.205 1042 2HB ARG 450 1HB ARG 450 22.048 17.584 -20.353 1043 1HG ARG 450 2HG ARG 450 20.507 17.963 -21.890 1044 2HG ARG 450 1HG ARG 450 19.552 18.863 -20.711 1045 1HD ARG 450 2HD ARG 450 20.660 20.912 -21.290 1046 2HD ARG 450 1HD ARG 450 21.800 20.055 -22.326 1047 HE ARG 450 HE ARG 450 19.149 19.584 -23.188 1048 1HH1 ARG 450 1HH1 ARG 450 21.610 22.047 -23.138 1049 2HH1 ARG 450 2HH1 ARG 450 21.032 22.836 -24.568 1050 1HH2 ARG 450 1HH2 ARG 450 18.380 20.616 -25.071 1051 2HH2 ARG 450 2HH2 ARG 450 19.197 22.023 -25.667 1052 H SER 451 H SER 451 23.486 18.547 -18.083 1053 HA SER 451 HA SER 451 23.331 16.040 -16.538 1054 1HB SER 451 2HB SER 451 25.419 17.030 -18.457 1055 2HB SER 451 1HB SER 451 25.861 15.912 -17.167 1056 HG SER 451 HG SER 451 25.005 14.370 -18.292 1057 H GLU 452 H GLU 452 25.227 15.848 -14.959 1058 HA GLU 452 HA GLU 452 25.145 18.118 -13.221 1059 1HB GLU 452 2HB GLU 452 25.699 15.375 -12.953 1060 2HB GLU 452 1HB GLU 452 27.182 16.202 -12.496 1061 1HG GLU 452 2HG GLU 452 26.140 17.347 -10.745 1062 2HG GLU 452 1HG GLU 452 24.526 17.007 -11.366 1063 H SER 453 HN SER 453 26.881 19.420 -12.540 1064 HA SER 453 HA SER 453 29.463 19.223 -13.767 1065 1HB SER 453 2HB SER 453 29.369 21.363 -14.984 1066 2HB SER 453 1HB SER 453 28.199 20.210 -15.628 1067 HG SER 453 HG SER 453 26.911 21.486 -13.775 Start of MODEL 3 1 1H5* G 1 2H5* G 1 -16.750 -27.352 -6.992 2 2H5* G 1 1H5* G 1 -16.097 -26.817 -8.553 3 H4* G 1 H4* G 1 -17.624 -25.124 -8.203 4 H3* G 1 H3* G 1 -15.023 -24.350 -6.875 5 H2* G 1 H2* G 1 -16.040 -22.695 -5.627 6 2HO* G 1 HO2* G 1 -18.136 -21.921 -7.130 7 H1* G 1 H1* G 1 -18.813 -23.468 -6.238 8 H8 G 1 H8 G 1 -17.372 -25.541 -3.561 9 H1 G 1 H1 G 1 -18.911 -19.748 -1.384 10 1H2 G 1 1H2 G 1 -19.327 -18.390 -3.088 11 2H2 G 1 2H2 G 1 -19.226 -18.914 -4.752 12 H5T G 1 H5T G 1 -14.979 -26.600 -5.973 13 1H5* G 2 2H5* G 2 -17.448 -21.189 -9.694 14 2H5* G 2 1H5* G 2 -16.087 -20.409 -10.524 15 H4* G 2 H4* G 2 -17.756 -18.719 -10.022 16 H3* G 2 H3* G 2 -15.223 -18.648 -8.342 17 H2* G 2 H2* G 2 -16.048 -16.713 -7.240 18 2HO* G 2 HO2* G 2 -17.165 -16.233 -9.585 19 H1* G 2 H1* G 2 -18.645 -17.534 -6.962 20 H8 G 2 H8 G 2 -16.643 -20.567 -6.241 21 H1 G 2 H1 G 2 -16.223 -16.306 -1.516 22 1H2 G 2 1H2 G 2 -17.032 -14.354 -2.185 23 2H2 G 2 2H2 G 2 -17.675 -14.102 -3.792 24 1H5* G 3 2H5* G 3 -16.470 -14.766 -8.609 25 2H5* G 3 1H5* G 3 -15.204 -13.891 -9.484 26 H4* G 3 H4* G 3 -15.693 -12.670 -7.454 27 H3* G 3 H3* G 3 -13.063 -14.172 -7.544 28 H2* G 3 H2* G 3 -12.585 -13.577 -5.344 29 2HO* G 3 HO2* G 3 -13.760 -11.269 -6.141 30 H1* G 3 H1* G 3 -15.229 -13.314 -4.374 31 H8 G 3 H8 G 3 -14.351 -16.654 -5.909 32 H1 G 3 H1 G 3 -12.470 -16.110 0.162 33 1H2 G 3 1H2 G 3 -12.711 -14.019 0.845 34 2H2 G 3 2H2 G 3 -13.333 -12.757 -0.195 35 1H5* A 4 2H5* A 4 -12.946 -9.788 -5.594 36 2H5* A 4 1H5* A 4 -11.500 -9.172 -6.419 37 H4* A 4 H4* A 4 -11.408 -8.677 -4.004 38 H3* A 4 H3* A 4 -9.422 -10.690 -5.123 39 H2* A 4 H2* A 4 -8.452 -10.876 -2.992 40 2HO* A 4 HO2* A 4 -8.442 -8.469 -2.793 41 H1* A 4 H1* A 4 -10.790 -10.535 -1.480 42 H8 A 4 H8 A 4 -10.759 -13.091 -4.330 43 1H6 A 4 1H6 A 4 -8.862 -17.162 -0.125 44 2H6 A 4 2H6 A 4 -9.395 -16.956 -1.777 45 H2 A 4 H2 A 4 -8.912 -13.098 1.786 46 1H5* U 5 2H5* U 5 -7.659 -6.608 -2.911 47 2H5* U 5 1H5* U 5 -5.952 -6.658 -3.390 48 H4* U 5 H4* U 5 -6.503 -6.380 -0.869 49 H3* U 5 H3* U 5 -4.538 -8.348 -2.080 50 H2* U 5 H2* U 5 -4.010 -9.154 0.097 51 2HO* U 5 HO2* U 5 -5.620 -7.081 1.219 52 H1* U 5 H1* U 5 -6.547 -9.300 1.054 53 H3 U 5 H3 U 5 -5.281 -13.584 0.219 54 H5 U 5 H5 U 5 -6.317 -12.027 -3.556 55 H6 U 5 H6 U 5 -6.521 -9.842 -2.529 56 1H5* A 6 2H5* A 6 -2.166 -6.915 1.271 57 2H5* A 6 1H5* A 6 -0.546 -6.765 0.563 58 H4* A 6 H4* A 6 -0.766 -8.448 2.461 59 H3* A 6 H3* A 6 0.301 -9.133 -0.293 60 H2* A 6 H2* A 6 0.583 -11.366 0.347 61 2HO* A 6 HO2* A 6 1.008 -10.185 2.832 62 H1* A 6 H1* A 6 -1.497 -11.517 2.253 63 H8 A 6 H8 A 6 -2.712 -10.385 -1.117 64 1H6 A 6 1H6 A 6 -2.970 -16.316 -2.758 65 2H6 A 6 2H6 A 6 -3.404 -14.684 -3.211 66 H2 A 6 H2 A 6 -0.817 -16.053 1.179 67 1H5* C 7 2H5* C 7 2.735 -10.738 3.424 68 2H5* C 7 1H5* C 7 4.367 -10.201 2.977 69 H4* C 7 H4* C 7 4.418 -12.496 3.860 70 H3* C 7 H3* C 7 5.122 -11.948 0.979 71 H2* C 7 H2* C 7 5.360 -14.250 0.499 72 2HO* C 7 HO2* C 7 6.564 -14.594 2.545 73 H1* C 7 H1* C 7 3.261 -15.219 1.919 74 1H4 C 7 1H4 C 7 0.721 -14.399 -3.821 75 2H4 C 7 2H4 C 7 0.735 -12.660 -3.629 76 H5 C 7 H5 C 7 1.701 -11.553 -1.716 77 H6 C 7 H6 C 7 2.852 -11.874 0.425 78 1H5* C 8 2H5* C 8 8.183 -14.934 1.944 79 2H5* C 8 1H5* C 8 9.619 -14.300 1.114 80 H4* C 8 H4* C 8 8.705 -16.560 0.287 81 H3* C 8 H3* C 8 9.468 -14.155 -1.332 82 H2* C 8 H2* C 8 8.208 -14.751 -3.157 83 2HO* C 8 HO2* C 8 9.885 -16.489 -3.341 84 H1* C 8 H1* C 8 6.928 -17.126 -1.966 85 1H4 C 8 1H4 C 8 2.435 -14.324 -5.477 86 2H4 C 8 2H4 C 8 2.517 -12.878 -4.496 87 H5 C 8 H5 C 8 4.104 -12.588 -2.704 88 H6 C 8 H6 C 8 5.948 -13.625 -1.464 89 1H5* A 9 2H5* A 9 10.886 -18.436 -3.306 90 2H5* A 9 1H5* A 9 12.492 -17.927 -3.863 91 H4* A 9 H4* A 9 11.604 -19.086 -5.716 92 H3* A 9 H3* A 9 11.174 -16.090 -5.981 93 H2* A 9 H2* A 9 10.086 -16.443 -8.042 94 2HO* A 9 HO2* A 9 10.724 -17.966 -9.382 95 H1* A 9 H1* A 9 8.838 -18.854 -7.422 96 H8 A 9 H8 A 9 8.569 -15.992 -4.911 97 1H6 A 9 1H6 A 9 3.415 -14.352 -7.849 98 2H6 A 9 2H6 A 9 4.428 -14.049 -6.455 99 H2 A 9 H2 A 9 5.371 -17.638 -10.199 100 1H5* U 10 2H5* U 10 12.464 -17.950 -9.835 101 2H5* U 10 1H5* U 10 13.332 -16.694 -10.740 102 H4* U 10 H4* U 10 11.164 -17.661 -11.788 103 H3* U 10 H3* U 10 11.879 -14.735 -11.473 104 H2* U 10 H2* U 10 9.799 -14.069 -12.281 105 2HO* U 10 HO2* U 10 8.811 -16.348 -13.376 106 H1* U 10 H1* U 10 8.288 -16.354 -11.539 107 H3 U 10 H3 U 10 5.896 -12.951 -9.814 108 H5 U 10 H5 U 10 9.469 -12.865 -7.611 109 H6 U 10 H6 U 10 10.347 -14.579 -9.078 110 1H5* G 11 2H5* G 11 10.202 -16.218 -15.585 111 2H5* G 11 1H5* G 11 10.794 -15.085 -16.814 112 H4* G 11 H4* G 11 8.234 -15.542 -16.680 113 H3* G 11 H3* G 11 9.552 -12.805 -16.829 114 H2* G 11 H2* G 11 7.431 -11.800 -16.768 115 2HO* G 11 HO2* G 11 6.096 -14.240 -17.310 116 H1* G 11 H1* G 11 6.113 -13.798 -15.246 117 H8 G 11 H8 G 11 9.152 -12.409 -13.529 118 H1 G 11 H1 G 11 4.061 -8.604 -12.984 119 1H2 G 11 1H2 G 11 2.458 -9.287 -14.350 120 2H2 G 11 2H2 G 11 2.642 -10.678 -15.394 121 1H5* U 12 2H5* U 12 6.067 -14.155 -19.641 122 2H5* U 12 1H5* U 12 6.111 -13.166 -21.114 123 H4* U 12 H4* U 12 3.862 -13.340 -19.838 124 H3* U 12 H3* U 12 5.202 -10.836 -20.871 125 H2* U 12 H2* U 12 3.533 -9.466 -19.921 126 2HO* U 12 HO2* U 12 2.034 -11.827 -20.069 127 H1* U 12 H1* U 12 3.179 -10.774 -17.561 128 H3 U 12 H3 U 12 5.201 -6.866 -16.484 129 H5 U 12 H5 U 12 8.309 -9.260 -18.022 130 H6 U 12 H6 U 12 6.642 -10.903 -18.661 131 1H5* U 13 2H5* U 13 0.705 -10.813 -21.038 132 2H5* U 13 1H5* U 13 0.255 -9.936 -22.515 133 H4* U 13 H4* U 13 -0.650 -9.053 -20.241 134 H3* U 13 H3* U 13 0.675 -7.447 -22.439 135 H2* U 13 H2* U 13 0.672 -5.533 -21.135 136 2HO* U 13 HO2* U 13 -1.076 -4.948 -20.078 137 H1* U 13 H1* U 13 0.547 -6.744 -18.568 138 H3 U 13 H3 U 13 3.708 -3.513 -18.280 139 H5 U 13 H5 U 13 5.366 -6.339 -20.926 140 H6 U 13 H6 U 13 3.274 -7.555 -20.842 141 1H5* C 14 2H5* C 14 -2.812 -5.953 -20.716 142 2H5* C 14 1H5* C 14 -4.053 -5.195 -21.734 143 H4* C 14 H4* C 14 -3.526 -3.773 -19.793 144 H3* C 14 H3* C 14 -2.736 -2.803 -22.559 145 H2* C 14 H2* C 14 -1.852 -0.838 -21.627 146 2HO* C 14 HO2* C 14 -3.966 -0.849 -20.208 147 H1* C 14 H1* C 14 -1.008 -1.915 -19.163 148 1H4 C 14 1H4 C 14 4.179 -0.602 -22.627 149 2H4 C 14 2H4 C 14 3.934 -2.055 -23.569 150 H5 C 14 H5 C 14 2.019 -3.487 -23.313 151 H6 C 14 H6 C 14 -0.075 -3.841 -22.094 152 1H5* A 15 2H5* A 15 -4.281 0.264 -24.963 153 2H5* A 15 1H5* A 15 -3.147 -0.923 -24.291 154 H4* A 15 H4* A 15 -3.234 1.842 -23.106 155 H3* A 15 H3* A 15 -2.278 1.120 -25.868 156 H2* A 15 H2* A 15 -0.170 2.091 -25.556 157 2HO* A 15 HO2* A 15 -0.418 3.404 -23.208 158 H1* A 15 H1* A 15 0.222 1.583 -22.868 159 H8 A 15 H8 A 15 -0.995 -1.576 -24.455 160 1H6 A 15 1H6 A 15 4.737 -2.513 -26.501 161 2H6 A 15 2H6 A 15 3.154 -3.226 -26.293 162 H2 A 15 H2 A 15 4.496 1.681 -24.896 163 1H5* G 16 2H5* G 16 -0.949 4.510 -25.800 164 2H5* G 16 1H5* G 16 -1.186 5.538 -27.227 165 H4* G 16 H4* G 16 1.192 4.856 -26.898 166 H3* G 16 H3* G 16 -0.302 4.774 -29.329 167 H2* G 16 H2* G 16 -0.179 2.417 -29.586 168 2HO* G 16 HO2* G 16 1.310 3.490 -31.158 169 H1* G 16 H1* G 16 2.504 2.465 -28.172 170 H8 G 16 H8 G 16 3.216 0.013 -27.847 171 H1 G 16 H1 G 16 -2.660 -2.258 -28.812 172 1H2 G 16 1H2 G 16 -4.088 -0.583 -29.076 173 2H2 G 16 2H2 G 16 -3.592 1.093 -29.016 174 1H5* A 17 2H5* A 17 4.664 6.508 -29.473 175 2H5* A 17 1H5* A 17 3.400 6.318 -28.241 176 H4* A 17 H4* A 17 4.910 8.819 -29.030 177 H3* A 17 H3* A 17 5.314 7.017 -26.959 178 H2* A 17 H2* A 17 3.265 7.404 -25.810 179 2HO* A 17 HO2* A 17 5.155 9.367 -25.003 180 H1* A 17 H1* A 17 3.386 10.354 -26.437 181 H8 A 17 H8 A 17 1.151 7.187 -26.378 182 1H6 A 17 1H6 A 17 -3.347 10.938 -24.472 183 2H6 A 17 2H6 A 17 -2.919 9.281 -24.833 184 H2 A 17 H2 A 17 0.310 13.430 -25.254 185 1H5* A 18 2H5* A 18 9.192 9.316 -25.169 186 2H5* A 18 1H5* A 18 9.577 7.687 -24.582 187 H4* A 18 H4* A 18 8.600 9.608 -22.973 188 H3* A 18 H3* A 18 8.364 6.611 -22.969 189 H2* A 18 H2* A 18 6.647 6.596 -21.353 190 2HO* A 18 HO2* A 18 7.963 8.532 -20.290 191 H1* A 18 H1* A 18 5.184 8.724 -22.195 192 H8 A 18 H8 A 18 6.877 6.357 -24.750 193 1H6 A 18 1H6 A 18 1.446 3.470 -25.036 194 2H6 A 18 2H6 A 18 3.070 3.538 -25.682 195 H2 A 18 H2 A 18 1.142 6.706 -21.932 196 1H5* G 19 2H5* G 19 9.680 7.962 -19.164 197 2H5* G 19 1H5* G 19 10.446 6.844 -18.017 198 H4* G 19 H4* G 19 7.980 7.269 -17.605 199 H3* G 19 H3* G 19 9.119 4.498 -18.100 200 H2* G 19 H2* G 19 6.973 3.569 -17.849 201 2HO* G 19 HO2* G 19 5.282 4.718 -16.798 202 H1* G 19 H1* G 19 5.497 5.686 -18.944 203 H8 G 19 H8 G 19 8.248 4.754 -21.280 204 H1 G 19 H1 G 19 3.518 0.478 -21.363 205 1H2 G 19 1H2 G 19 2.115 0.867 -19.691 206 2H2 G 19 2H2 G 19 2.345 2.179 -18.557 207 1H5* A 20 2H5* A 20 6.939 5.686 -14.310 208 2H5* A 20 1H5* A 20 7.509 4.831 -12.862 209 H4* A 20 H4* A 20 5.038 5.072 -12.894 210 H3* A 20 H3* A 20 6.411 2.396 -12.887 211 H2* A 20 H2* A 20 4.393 1.205 -13.204 212 2HO* A 20 HO2* A 20 3.174 3.636 -12.375 213 H1* A 20 H1* A 20 3.213 2.760 -15.034 214 H8 A 20 H8 A 20 6.912 2.855 -15.729 215 1H6 A 20 1H6 A 20 6.228 -2.459 -18.756 216 2H6 A 20 2H6 A 20 7.321 -1.142 -18.397 217 H2 A 20 H2 A 20 2.385 -1.582 -16.587 218 1H5* A 21 2H5* A 21 2.948 2.395 -10.839 219 2H5* A 21 1H5* A 21 2.735 1.302 -9.459 220 H4* A 21 H4* A 21 1.269 0.875 -11.540 221 H3* A 21 H3* A 21 2.910 -1.142 -10.013 222 H2* A 21 H2* A 21 2.608 -2.791 -11.602 223 2HO* A 21 HO2* A 21 0.118 -1.962 -11.406 224 H1* A 21 H1* A 21 1.970 -1.171 -13.863 225 H8 A 21 H8 A 21 5.423 -0.537 -12.636 226 1H6 A 21 1H6 A 21 7.238 -5.627 -15.595 227 2H6 A 21 2H6 A 21 7.774 -4.194 -14.748 228 H2 A 21 H2 A 21 2.746 -5.540 -15.590 229 1H5* C 22 2H5* C 22 -1.837 -2.369 -10.859 230 2H5* C 22 1H5* C 22 -2.064 -3.660 -9.662 231 H4* C 22 H4* C 22 -2.715 -4.163 -12.119 232 H3* C 22 H3* C 22 -1.008 -5.892 -10.306 233 H2* C 22 H2* C 22 -0.717 -7.478 -12.057 234 2HO* C 22 HO2* C 22 -3.032 -6.284 -13.002 235 H1* C 22 H1* C 22 -0.132 -5.733 -14.026 236 1H4 C 22 1H4 C 22 5.325 -7.215 -11.046 237 2H4 C 22 2H4 C 22 5.089 -5.872 -9.952 238 H5 C 22 H5 C 22 3.098 -4.516 -9.938 239 H6 C 22 H6 C 22 0.905 -4.156 -10.970 240 1H5* G 23 2H5* G 23 -3.507 -8.238 -13.067 241 2H5* G 23 1H5* G 23 -4.090 -9.638 -12.147 242 H4* G 23 H4* G 23 -2.752 -10.073 -14.335 243 H3* G 23 H3* G 23 -2.243 -11.398 -11.643 244 H2* G 23 H2* G 23 -0.525 -12.650 -12.628 245 2HO* G 23 HO2* G 23 -0.463 -12.459 -15.135 246 H1* G 23 H1* G 23 0.340 -10.752 -14.473 247 H8 G 23 H8 G 23 0.334 -9.161 -11.139 248 H1 G 23 H1 G 23 4.981 -13.500 -11.685 249 1H2 G 23 1H2 G 23 4.665 -14.721 -13.499 250 2H2 G 23 2H2 G 23 3.310 -14.470 -14.577 251 1H5* U 24 2H5* U 24 -1.922 -14.242 -15.303 252 2H5* U 24 1H5* U 24 -2.994 -15.547 -14.761 253 H4* U 24 H4* U 24 -0.854 -16.425 -15.647 254 H3* U 24 H3* U 24 -1.516 -16.807 -12.705 255 H2* U 24 H2* U 24 0.501 -18.059 -12.459 256 2HO* U 24 HO2* U 24 0.443 -18.108 -15.303 257 H1* U 24 H1* U 24 2.119 -16.386 -13.846 258 H3 U 24 H3 U 24 3.232 -15.573 -9.556 259 H5 U 24 H5 U 24 -0.494 -13.649 -10.031 260 H6 U 24 H6 U 24 -0.662 -14.672 -12.230 261 1H5* G 25 2H5* G 25 0.255 -20.148 -13.641 262 2H5* G 25 1H5* G 25 -0.850 -21.534 -13.539 263 H4* G 25 H4* G 25 0.933 -22.302 -12.260 264 H3* G 25 H3* G 25 -0.974 -20.819 -10.406 265 H2* G 25 H2* G 25 0.468 -21.393 -8.600 266 2HO* G 25 HO2* G 25 1.093 -23.476 -10.242 267 H1* G 25 H1* G 25 2.825 -20.873 -9.891 268 H8 G 25 H8 G 25 -0.153 -18.507 -10.492 269 H1 G 25 H1 G 25 3.606 -16.790 -5.642 270 1H2 G 25 1H2 G 25 5.129 -18.352 -5.268 271 2H2 G 25 2H2 G 25 5.223 -19.820 -6.212 272 1H5* G 26 2H5* G 26 -0.347 -24.802 -8.278 273 2H5* G 26 1H5* G 26 -1.861 -24.943 -7.365 274 H4* G 26 H4* G 26 0.354 -24.757 -6.027 275 H3* G 26 H3* G 26 -2.158 -23.113 -5.559 276 H2* G 26 H2* G 26 -1.085 -21.944 -3.846 277 2HO* G 26 HO2* G 26 0.410 -22.869 -2.529 278 H1* G 26 H1* G 26 1.587 -22.224 -4.795 279 H8 G 26 H8 G 26 -0.814 -20.515 -7.152 280 H1 G 26 H1 G 26 1.539 -16.581 -2.724 281 1H2 G 26 1H2 G 26 2.627 -17.740 -1.178 282 2H2 G 26 2H2 G 26 2.776 -19.481 -1.241 283 1H5* U 27 2H5* U 27 0.069 -25.225 -1.789 284 2H5* U 27 1H5* U 27 -1.366 -25.768 -0.899 285 H4* U 27 H4* U 27 0.290 -24.742 0.618 286 H3* U 27 H3* U 27 -2.372 -23.343 0.183 287 H2* U 27 H2* U 27 -1.722 -21.692 1.777 288 2HO* U 27 HO2* U 27 0.720 -22.420 2.537 289 H1* U 27 H1* U 27 0.802 -21.318 0.864 290 H3 U 27 H3 U 27 -1.415 -17.658 -0.586 291 H5 U 27 H5 U 27 -2.775 -20.736 -3.126 292 H6 U 27 H6 U 27 -1.554 -22.320 -1.748 293 1H5* A 28 2H5* A 28 -1.538 -22.791 4.041 294 2H5* A 28 1H5* A 28 -2.786 -23.519 5.071 295 H4* A 28 H4* A 28 -2.521 -21.270 5.842 296 H3* A 28 H3* A 28 -4.969 -21.731 4.112 297 H2* A 28 H2* A 28 -5.522 -19.467 4.242 298 2HO* A 28 HO2* A 28 -4.277 -18.162 5.936 299 H1* A 28 H1* A 28 -2.970 -18.389 4.400 300 H8 A 28 H8 A 28 -3.677 -20.829 1.549 301 1H6 A 28 1H6 A 28 -5.430 -15.910 -1.708 302 2H6 A 28 2H6 A 28 -5.098 -17.625 -1.768 303 H2 A 28 H2 A 28 -4.701 -14.589 2.526 304 1H5* U 29 2H5* U 29 -5.243 -19.251 8.367 305 2H5* U 29 1H5* U 29 -6.869 -19.748 8.877 306 H4* U 29 H4* U 29 -6.453 -17.299 9.173 307 H3* U 29 H3* U 29 -8.629 -18.298 7.303 308 H2* U 29 H2* U 29 -9.258 -16.029 6.892 309 2HO* U 29 HO2* U 29 -7.412 -15.288 8.951 310 H1* U 29 H1* U 29 -6.757 -15.054 6.519 311 H3 U 29 H3 U 29 -8.553 -15.413 2.349 312 H5 U 29 H5 U 29 -7.440 -19.343 3.367 313 H6 U 29 H6 U 29 -6.937 -18.556 5.605 314 1H5* C 30 2H5* C 30 -10.039 -15.196 9.226 315 2H5* C 30 1H5* C 30 -11.772 -15.233 9.603 316 H4* C 30 H4* C 30 -11.053 -13.444 7.943 317 H3* C 30 H3* C 30 -13.141 -15.548 7.239 318 H2* C 30 H2* C 30 -13.471 -14.405 5.196 319 2HO* C 30 HO2* C 30 -12.926 -12.265 6.729 320 H1* C 30 H1* C 30 -10.814 -13.594 4.837 321 1H4 C 30 1H4 C 30 -12.112 -18.237 0.661 322 2H4 C 30 2H4 C 30 -11.541 -19.411 1.824 323 H5 C 30 H5 C 30 -10.937 -18.843 4.084 324 H6 C 30 H6 C 30 -10.756 -17.031 5.720 325 1H5* U 31 2H5* U 31 -14.176 -12.029 5.447 326 2H5* U 31 1H5* U 31 -15.774 -11.562 6.058 327 H4* U 31 H4* U 31 -15.916 -11.490 3.667 328 H3* U 31 H3* U 31 -17.191 -13.922 4.949 329 H2* U 31 H2* U 31 -17.657 -14.833 2.868 330 2HO* U 31 HO2* U 31 -17.904 -12.118 2.129 331 H1* U 31 H1* U 31 -15.674 -13.420 1.349 332 H3 U 31 H3 U 31 -15.208 -17.654 -0.136 333 H5 U 31 H5 U 31 -14.311 -17.935 3.963 334 H6 U 31 H6 U 31 -14.905 -15.599 4.193 335 1H5* C 32 2H5* C 32 -19.642 -11.519 1.927 336 2H5* C 32 1H5* C 32 -21.379 -11.739 2.224 337 H4* C 32 H4* C 32 -20.621 -12.221 -0.154 338 H3* C 32 H3* C 32 -21.975 -14.318 1.570 339 H2* C 32 H2* C 32 -21.961 -15.799 -0.232 340 2HO* C 32 HO2* C 32 -21.186 -14.639 -2.378 341 H1* C 32 H1* C 32 -19.531 -14.921 -1.355 342 1H4 C 32 1H4 C 32 -18.405 -20.622 1.230 343 2H4 C 32 2H4 C 32 -18.442 -19.930 2.837 344 H5 C 32 H5 C 32 -18.980 -17.624 3.269 345 H6 C 32 H6 C 32 -19.606 -15.484 2.257 346 H3T C 32 H3T C 32 -22.753 -12.518 -0.510 347 1H GLY 364 1HT GLY 364 -12.191 9.901 -17.364 348 2H GLY 364 2HT GLY 364 -11.734 9.190 -18.828 349 3H GLY 364 3HT GLY 364 -11.534 10.854 -18.598 350 1HA GLY 364 1HA GLY 364 -9.417 9.720 -18.405 351 2HA GLY 364 2HA GLY 364 -9.888 10.472 -16.889 352 H SER 365 H SER 365 -9.676 9.261 -15.140 353 HA SER 365 HA SER 365 -9.030 7.416 -13.916 354 1HB SER 365 2HB SER 365 -10.877 5.803 -13.715 355 2HB SER 365 1HB SER 365 -11.478 7.460 -13.750 356 HG SER 365 HG SER 365 -12.717 6.654 -15.263 357 H LEU 366 H LEU 366 -7.335 7.268 -15.870 358 HA LEU 366 HA LEU 366 -7.366 4.452 -16.706 359 1HB LEU 366 2HB LEU 366 -7.656 6.596 -18.426 360 2HB LEU 366 1HB LEU 366 -5.944 6.231 -18.523 361 HG LEU 366 HG LEU 366 -6.561 3.855 -19.051 362 1HD1 LEU 366 1HD1 LEU 366 -8.794 3.785 -18.149 363 2HD1 LEU 366 2HD1 LEU 366 -8.859 3.477 -19.884 364 3HD1 LEU 366 3HD1 LEU 366 -9.317 5.058 -19.251 365 1HD2 LEU 366 1HD2 LEU 366 -6.779 4.291 -21.322 366 2HD2 LEU 366 2HD2 LEU 366 -6.047 5.769 -20.694 367 3HD2 LEU 366 3HD2 LEU 366 -7.773 5.724 -21.049 368 H ASP 367 H ASP 367 -5.588 3.381 -16.079 369 HA ASP 367 HA ASP 367 -3.576 4.493 -14.523 370 1HB ASP 367 2HB ASP 367 -3.209 2.046 -16.254 371 2HB ASP 367 1HB ASP 367 -2.419 2.407 -14.723 372 H MET 368 H MET 368 -3.063 3.197 -17.790 373 HA MET 368 HA MET 368 -0.637 4.093 -18.438 374 1HB MET 368 2HB MET 368 -1.647 4.660 -20.777 375 2HB MET 368 1HB MET 368 -1.694 3.006 -20.185 376 1HG MET 368 2HG MET 368 -3.923 2.968 -20.106 377 2HG MET 368 1HG MET 368 -4.028 4.596 -19.438 378 1HE MET 368 1HE MET 368 -2.189 5.904 -22.416 379 2HE MET 368 2HE MET 368 -2.936 6.490 -20.930 380 3HE MET 368 3HE MET 368 -3.672 6.855 -22.491 381 H ASN 369 H ASN 369 -3.543 6.121 -18.482 382 HA ASN 369 HA ASN 369 -2.346 8.478 -19.394 383 1HB ASN 369 2HB ASN 369 -4.762 7.954 -17.681 384 2HB ASN 369 1HB ASN 369 -4.265 9.590 -18.106 385 1HD2 ASN 369 1HD2 ASN 369 -6.714 8.549 -18.838 386 2HD2 ASN 369 2HD2 ASN 369 -6.755 8.368 -20.554 387 H ALA 370 H ALA 370 -2.904 7.305 -16.093 388 HA ALA 370 HA ALA 370 -1.768 9.502 -14.760 389 1HB ALA 370 1HB ALA 370 -2.366 8.401 -12.917 390 2HB ALA 370 2HB ALA 370 -1.386 6.999 -13.345 391 3HB ALA 370 3HB ALA 370 -3.022 7.161 -13.986 392 H LYS 371 H LYS 371 -0.319 6.255 -14.777 393 HA LYS 371 HA LYS 371 2.177 6.700 -14.025 394 1HB LYS 371 2HB LYS 371 2.542 5.200 -16.415 395 2HB LYS 371 1HB LYS 371 2.466 4.617 -14.760 396 1HG LYS 371 2HG LYS 371 0.075 4.340 -14.922 397 2HG LYS 371 1HG LYS 371 0.075 5.042 -16.541 398 1HD LYS 371 2HD LYS 371 0.380 2.999 -17.370 399 2HD LYS 371 1HD LYS 371 1.958 2.956 -16.588 400 1HE LYS 371 2HE LYS 371 -0.674 1.959 -15.527 401 2HE LYS 371 1HE LYS 371 0.785 1.027 -15.858 402 1HZ LYS 371 1HZ LYS 371 1.604 1.500 -13.859 403 2HZ LYS 371 2HZ LYS 371 0.058 2.049 -13.444 404 3HZ LYS 371 3HZ LYS 371 1.228 3.146 -13.981 405 H ARG 372 H ARG 372 0.986 7.544 -17.251 406 HA ARG 372 HA ARG 372 3.462 8.440 -18.270 407 1HB ARG 372 2HB ARG 372 1.195 7.914 -19.471 408 2HB ARG 372 1HB ARG 372 0.863 9.616 -19.181 409 1HG ARG 372 2HG ARG 372 3.494 9.013 -20.365 410 2HG ARG 372 1HG ARG 372 2.092 8.678 -21.384 411 1HD ARG 372 2HD ARG 372 1.402 10.897 -21.381 412 2HD ARG 372 1HD ARG 372 2.332 11.286 -19.934 413 HE ARG 372 HE ARG 372 4.290 10.730 -21.626 414 1HH1 ARG 372 1HH1 ARG 372 1.400 12.616 -22.096 415 2HH1 ARG 372 2HH1 ARG 372 2.119 13.661 -23.275 416 1HH2 ARG 372 1HH2 ARG 372 5.247 12.107 -23.177 417 2HH2 ARG 372 2HH2 ARG 372 4.305 13.373 -23.890 418 H GLN 373 H GLN 373 0.788 10.199 -16.702 419 HA GLN 373 HA GLN 373 1.842 12.765 -16.999 420 1HB GLN 373 2HB GLN 373 -0.450 11.819 -16.001 421 2HB GLN 373 1HB GLN 373 0.372 12.144 -14.484 422 1HG GLN 373 2HG GLN 373 0.092 14.171 -16.686 423 2HG GLN 373 1HG GLN 373 -1.085 13.986 -15.394 424 1HE2 GLN 373 1HE2 GLN 373 1.427 13.286 -13.657 425 2HE2 GLN 373 2HE2 GLN 373 2.017 14.842 -13.217 426 H LEU 374 H LEU 374 2.394 10.331 -14.527 427 HA LEU 374 HA LEU 374 3.877 11.966 -12.779 428 1HB LEU 374 2HB LEU 374 3.580 9.011 -13.126 429 2HB LEU 374 1HB LEU 374 4.737 9.660 -11.978 430 HG LEU 374 HG LEU 374 2.389 9.007 -11.135 431 1HD1 LEU 374 1HD1 LEU 374 2.465 11.441 -9.902 432 2HD1 LEU 374 2HD1 LEU 374 4.118 11.266 -10.488 433 3HD1 LEU 374 3HD1 LEU 374 3.418 10.033 -9.438 434 1HD2 LEU 374 1HD2 LEU 374 0.813 10.975 -11.255 435 2HD2 LEU 374 2HD2 LEU 374 0.999 10.047 -12.745 436 3HD2 LEU 374 3HD2 LEU 374 1.825 11.596 -12.560 437 H TYR 375 H TYR 375 5.221 9.206 -14.613 438 HA TYR 375 HA TYR 375 7.828 10.440 -14.438 439 1HB TYR 375 2HB TYR 375 6.844 7.751 -15.312 440 2HB TYR 375 1HB TYR 375 8.496 8.253 -15.653 441 HD1 TYR 375 HD1 TYR 375 9.593 6.644 -14.272 442 HD2 TYR 375 HD2 TYR 375 6.631 9.212 -12.622 443 HE1 TYR 375 HE1 TYR 375 10.270 5.962 -12.006 444 HE2 TYR 375 HE2 TYR 375 7.300 8.539 -10.354 445 HH TYR 375 HH TYR 375 10.072 6.422 -9.808 446 H SER 376 H SER 376 5.472 11.051 -16.544 447 HA SER 376 HA SER 376 7.400 11.362 -18.752 448 1HB SER 376 2HB SER 376 5.236 9.756 -18.945 449 2HB SER 376 1HB SER 376 4.534 11.281 -19.485 450 HG SER 376 HG SER 376 6.483 11.369 -20.902 451 H LEU 377 H LEU 377 5.099 12.870 -16.681 452 HA LEU 377 HA LEU 377 5.365 15.343 -18.251 453 1HB LEU 377 2HB LEU 377 3.086 14.119 -16.886 454 2HB LEU 377 1HB LEU 377 3.289 15.823 -16.540 455 HG LEU 377 HG LEU 377 3.498 15.932 -19.200 456 1HD1 LEU 377 1HD1 LEU 377 3.220 13.432 -19.327 457 2HD1 LEU 377 2HD1 LEU 377 2.104 14.375 -20.314 458 3HD1 LEU 377 3HD1 LEU 377 1.557 13.670 -18.792 459 1HD2 LEU 377 1HD2 LEU 377 1.939 17.259 -18.007 460 2HD2 LEU 377 2HD2 LEU 377 1.001 15.845 -17.528 461 3HD2 LEU 377 3HD2 LEU 377 1.019 16.361 -19.214 462 H ILE 378 H ILE 378 5.776 13.851 -15.089 463 HA ILE 378 HA ILE 378 7.114 16.301 -14.208 464 HB ILE 378 HB ILE 378 5.352 14.818 -12.293 465 1HG1 ILE 378 2HG1 ILE 378 4.023 15.581 -14.301 466 2HG1 ILE 378 1HG1 ILE 378 3.504 16.246 -12.756 467 1HG2 ILE 378 1HG2 ILE 378 7.207 16.791 -11.964 468 2HG2 ILE 378 2HG2 ILE 378 5.886 16.440 -10.849 469 3HG2 ILE 378 3HG2 ILE 378 5.705 17.710 -12.059 470 1HD1 ILE 378 1HD1 ILE 378 4.081 17.648 -15.075 471 2HD1 ILE 378 2HD1 ILE 378 5.457 17.949 -14.016 472 3HD1 ILE 378 3HD1 ILE 378 3.822 18.318 -13.466 473 H GLY 379 H GLY 379 8.150 13.730 -15.106 474 1HA GLY 379 2HA GLY 379 9.391 12.843 -12.574 475 2HA GLY 379 1HA GLY 379 9.014 11.736 -13.882 476 H TYR 380 H TYR 380 11.112 14.342 -12.840 477 HA TYR 380 HA TYR 380 12.861 13.872 -15.139 478 1HB TYR 380 2HB TYR 380 14.061 15.891 -14.404 479 2HB TYR 380 1HB TYR 380 12.347 16.205 -14.651 480 HD1 TYR 380 HD1 TYR 380 11.256 17.460 -13.060 481 HD2 TYR 380 HD2 TYR 380 14.670 15.204 -11.892 482 HE1 TYR 380 HE1 TYR 380 11.101 18.410 -10.797 483 HE2 TYR 380 HE2 TYR 380 14.522 16.146 -9.624 484 HH TYR 380 HH TYR 380 13.023 18.775 -8.820 485 H ALA 381 H ALA 381 15.262 13.881 -14.627 486 HA ALA 381 HA ALA 381 15.815 11.679 -12.948 487 1HB ALA 381 1HB ALA 381 17.390 11.698 -14.556 488 2HB ALA 381 2HB ALA 381 18.275 12.673 -13.383 489 3HB ALA 381 3HB ALA 381 17.388 13.457 -14.691 490 H SER 382 H SER 382 15.874 11.673 -10.836 491 HA SER 382 HA SER 382 16.771 12.150 -8.750 492 1HB SER 382 2HB SER 382 18.323 13.796 -8.425 493 2HB SER 382 1HB SER 382 18.397 13.710 -10.185 494 HG SER 382 HG SER 382 16.603 15.384 -9.979 495 H LEU 383 H LEU 383 14.098 12.331 -9.375 496 HA LEU 383 HA LEU 383 13.120 14.831 -8.230 497 1HB LEU 383 2HB LEU 383 12.131 13.362 -10.236 498 2HB LEU 383 1HB LEU 383 11.271 12.609 -8.906 499 HG LEU 383 HG LEU 383 11.173 15.526 -9.673 500 1HD1 LEU 383 1HD1 LEU 383 8.738 14.944 -9.999 501 2HD1 LEU 383 2HD1 LEU 383 9.221 13.251 -9.903 502 3HD1 LEU 383 3HD1 LEU 383 9.858 14.279 -11.189 503 1HD2 LEU 383 1HD2 LEU 383 10.060 14.030 -7.322 504 2HD2 LEU 383 2HD2 LEU 383 9.326 15.523 -7.908 505 3HD2 LEU 383 3HD2 LEU 383 10.995 15.525 -7.339 506 H ARG 384 H ARG 384 13.200 11.373 -7.539 507 HA ARG 384 HA ARG 384 13.218 10.300 -5.508 508 1HB ARG 384 2HB ARG 384 13.952 12.703 -4.675 509 2HB ARG 384 1HB ARG 384 12.323 12.719 -4.013 510 1HG ARG 384 2HG ARG 384 14.049 11.948 -2.414 511 2HG ARG 384 1HG ARG 384 12.765 10.772 -2.698 512 1HD ARG 384 2HD ARG 384 14.148 9.307 -3.742 513 2HD ARG 384 1HD ARG 384 15.154 10.580 -4.432 514 HE ARG 384 HE ARG 384 15.647 10.660 -1.737 515 1HH1 ARG 384 1HH1 ARG 384 15.880 8.240 -4.235 516 2HH1 ARG 384 2HH1 ARG 384 17.203 7.412 -3.482 517 1HH2 ARG 384 1HH2 ARG 384 17.386 9.579 -0.748 518 2HH2 ARG 384 2HH2 ARG 384 18.059 8.172 -1.502 519 H LEU 385 H LEU 385 10.695 11.965 -6.923 520 HA LEU 385 HA LEU 385 8.498 11.790 -5.375 521 1HB LEU 385 2HB LEU 385 8.643 12.463 -7.808 522 2HB LEU 385 1HB LEU 385 8.548 10.758 -8.204 523 HG LEU 385 HG LEU 385 6.412 12.041 -6.538 524 1HD1 LEU 385 1HD1 LEU 385 5.218 12.761 -8.412 525 2HD1 LEU 385 2HD1 LEU 385 6.263 11.885 -9.529 526 3HD1 LEU 385 3HD1 LEU 385 6.863 13.323 -8.703 527 1HD2 LEU 385 1HD2 LEU 385 5.446 10.138 -8.378 528 2HD2 LEU 385 2HD2 LEU 385 5.585 9.985 -6.626 529 3HD2 LEU 385 3HD2 LEU 385 6.912 9.463 -7.665 530 H HIS 386 H HIS 386 7.214 10.279 -4.490 531 HA HIS 386 HA HIS 386 7.274 7.546 -5.338 532 1HB HIS 386 2HB HIS 386 8.288 6.523 -3.432 533 2HB HIS 386 1HB HIS 386 9.409 7.728 -4.056 534 HD1 HIS 386 HD1 HIS 386 10.293 9.355 -2.401 535 HD2 HIS 386 HD2 HIS 386 6.830 7.488 -1.060 536 HE1 HIS 386 HE1 HIS 386 9.995 10.118 -0.023 537 HE2 HIS 386 HE2 HIS 386 7.912 8.951 0.780 538 H TYR 387 H TYR 387 5.740 6.245 -4.438 539 HA TYR 387 HA TYR 387 3.655 7.653 -2.944 540 1HB TYR 387 2HB TYR 387 3.602 5.161 -4.649 541 2HB TYR 387 1HB TYR 387 2.236 5.686 -3.670 542 HD1 TYR 387 HD1 TYR 387 0.578 6.568 -4.979 543 HD2 TYR 387 HD2 TYR 387 4.623 7.449 -5.942 544 HE1 TYR 387 HE1 TYR 387 -0.179 8.022 -6.798 545 HE2 TYR 387 HE2 TYR 387 3.880 8.910 -7.769 546 HH TYR 387 HH TYR 387 1.530 10.293 -8.178 547 H VAL 388 H VAL 388 2.868 6.857 -1.017 548 HA VAL 388 HA VAL 388 4.318 4.542 0.072 549 HB VAL 388 HB VAL 388 3.495 5.977 2.291 550 1HG1 VAL 388 1HG1 VAL 388 5.605 4.689 1.785 551 2HG1 VAL 388 2HG1 VAL 388 5.820 6.171 2.722 552 3HG1 VAL 388 3HG1 VAL 388 6.210 6.149 0.999 553 1HG2 VAL 388 1HG2 VAL 388 3.121 7.870 0.585 554 2HG2 VAL 388 2HG2 VAL 388 4.879 7.943 0.490 555 3HG2 VAL 388 3HG2 VAL 388 4.066 8.230 2.029 556 H THR 389 H THR 389 3.099 2.895 0.500 557 HA THR 389 HA THR 389 0.237 3.085 0.479 558 HB THR 389 HB THR 389 2.125 0.783 0.932 559 HG1 THR 389 HG1 THR 389 1.128 1.868 -1.238 560 1HG2 THR 389 1HG2 THR 389 -0.036 -0.602 0.734 561 2HG2 THR 389 2HG2 THR 389 -0.861 0.880 1.219 562 3HG2 THR 389 3HG2 THR 389 0.331 0.144 2.290 563 H VAL 390 H VAL 390 -1.145 3.107 2.140 564 HA VAL 390 HA VAL 390 -0.148 2.545 4.826 565 HB VAL 390 HB VAL 390 -1.300 4.575 5.704 566 1HG1 VAL 390 1HG1 VAL 390 0.520 6.027 5.307 567 2HG1 VAL 390 2HG1 VAL 390 0.837 5.316 3.724 568 3HG1 VAL 390 3HG1 VAL 390 1.179 4.394 5.189 569 1HG2 VAL 390 1HG2 VAL 390 -1.270 6.281 3.518 570 2HG2 VAL 390 2HG2 VAL 390 -2.697 5.631 4.329 571 3HG2 VAL 390 3HG2 VAL 390 -2.034 4.811 2.915 572 H LYS 391 H LYS 391 -1.834 2.211 6.379 573 HA LYS 391 HA LYS 391 -3.943 1.632 7.093 574 1HB LYS 391 2HB LYS 391 -4.595 3.044 4.907 575 2HB LYS 391 1HB LYS 391 -5.090 1.446 4.369 576 1HG LYS 391 2HG LYS 391 -6.011 2.751 6.921 577 2HG LYS 391 1HG LYS 391 -6.911 2.757 5.403 578 1HD LYS 391 2HD LYS 391 -7.158 0.388 5.451 579 2HD LYS 391 1HD LYS 391 -6.029 0.238 6.798 580 1HE LYS 391 2HE LYS 391 -7.654 1.650 8.134 581 2HE LYS 391 1HE LYS 391 -8.800 1.412 6.817 582 1HZ LYS 391 1HZ LYS 391 -8.921 -0.181 8.768 583 2HZ LYS 391 2HZ LYS 391 -7.495 -0.869 8.172 584 3HZ LYS 391 3HZ LYS 391 -8.895 -0.872 7.223 585 H LYS 392 H LYS 392 -2.242 -0.213 7.172 586 HA LYS 392 HA LYS 392 -1.854 -2.324 5.656 587 1HB LYS 392 2HB LYS 392 -2.769 -2.433 8.530 588 2HB LYS 392 1HB LYS 392 -2.095 -3.812 7.672 589 1HG LYS 392 2HG LYS 392 -0.662 -1.199 8.103 590 2HG LYS 392 1HG LYS 392 -0.455 -2.642 9.097 591 1HD LYS 392 2HD LYS 392 1.174 -3.214 7.681 592 2HD LYS 392 1HD LYS 392 -0.108 -3.579 6.525 593 1HE LYS 392 2HE LYS 392 0.876 -2.075 5.199 594 2HE LYS 392 1HE LYS 392 0.184 -0.860 6.271 595 1HZ LYS 392 1HZ LYS 392 2.437 -1.540 7.569 596 2HZ LYS 392 2HZ LYS 392 2.300 -0.223 6.517 597 3HZ LYS 392 3HZ LYS 392 2.931 -1.689 5.958 598 HA PRO 393 HA PRO 393 -5.857 -3.668 4.269 599 1HB PRO 393 2HB PRO 393 -4.521 -5.977 3.111 600 2HB PRO 393 1HB PRO 393 -5.318 -4.629 2.302 601 1HG PRO 393 2HG PRO 393 -2.624 -4.995 2.263 602 2HG PRO 393 1HG PRO 393 -3.395 -3.405 2.145 603 1HD PRO 393 2HD PRO 393 -2.081 -4.709 4.489 604 2HD PRO 393 1HD PRO 393 -2.067 -3.006 3.984 605 H THR 394 H THR 394 -7.248 -5.440 4.445 606 HA THR 394 HA THR 394 -6.500 -7.500 6.416 607 HB THR 394 HB THR 394 -8.279 -7.117 7.829 608 HG1 THR 394 HG1 THR 394 -9.556 -5.524 5.836 609 1HG2 THR 394 1HG2 THR 394 -6.966 -5.264 8.286 610 2HG2 THR 394 2HG2 THR 394 -8.543 -4.533 7.985 611 3HG2 THR 394 3HG2 THR 394 -7.305 -4.510 6.729 612 H ALA 395 H ALA 395 -8.119 -9.277 6.564 613 HA ALA 395 HA ALA 395 -8.964 -10.025 3.877 614 1HB ALA 395 1HB ALA 395 -8.014 -11.460 6.160 615 2HB ALA 395 2HB ALA 395 -8.254 -12.024 4.505 616 3HB ALA 395 3HB ALA 395 -9.582 -12.098 5.664 617 H VAL 396 H VAL 396 -10.323 -8.070 5.701 618 HA VAL 396 HA VAL 396 -13.032 -9.080 5.307 619 HB VAL 396 HB VAL 396 -13.714 -8.027 7.491 620 1HG1 VAL 396 1HG1 VAL 396 -12.640 -9.942 8.881 621 2HG1 VAL 396 2HG1 VAL 396 -11.989 -10.463 7.326 622 3HG1 VAL 396 3HG1 VAL 396 -13.733 -10.339 7.554 623 1HG2 VAL 396 1HG2 VAL 396 -12.178 -7.341 9.075 624 2HG2 VAL 396 2HG2 VAL 396 -11.424 -6.789 7.578 625 3HG2 VAL 396 3HG2 VAL 396 -10.863 -8.270 8.356 626 H ASP 397 H ASP 397 -10.934 -7.076 4.337 627 HA ASP 397 HA ASP 397 -12.429 -5.191 3.121 628 1HB ASP 397 2HB ASP 397 -12.070 -4.550 5.976 629 2HB ASP 397 1HB ASP 397 -11.615 -3.247 4.882 630 HA PRO 398 HA PRO 398 -7.691 -5.865 2.690 631 1HB PRO 398 2HB PRO 398 -8.356 -5.775 -0.114 632 2HB PRO 398 1HB PRO 398 -7.658 -7.104 0.810 633 1HG PRO 398 2HG PRO 398 -10.436 -6.658 -0.006 634 2HG PRO 398 1HG PRO 398 -9.650 -8.151 0.536 635 1HD PRO 398 2HD PRO 398 -11.479 -6.816 2.030 636 2HD PRO 398 1HD PRO 398 -10.154 -7.757 2.745 637 H ASN 399 H ASN 399 -10.114 -3.700 1.404 638 HA ASN 399 HA ASN 399 -8.961 -1.921 -0.113 639 1HB ASN 399 2HB ASN 399 -10.267 -0.151 0.895 640 2HB ASN 399 1HB ASN 399 -11.195 -1.648 0.935 641 1HD2 ASN 399 1HD2 ASN 399 -12.359 -0.379 2.574 642 2HD2 ASN 399 2HD2 ASN 399 -11.803 -0.469 4.203 643 H SER 400 H SER 400 -7.666 -0.131 -0.031 644 HA SER 400 HA SER 400 -6.187 0.528 2.365 645 1HB SER 400 2HB SER 400 -4.443 -0.821 1.950 646 2HB SER 400 1HB SER 400 -5.078 -1.259 0.363 647 HG SER 400 HG SER 400 -3.427 0.928 1.058 648 H ILE 401 H ILE 401 -4.885 2.425 2.156 649 HA ILE 401 HA ILE 401 -5.739 4.136 -0.076 650 HB ILE 401 HB ILE 401 -6.536 5.045 1.943 651 1HG1 ILE 401 2HG1 ILE 401 -4.259 6.782 2.205 652 2HG1 ILE 401 1HG1 ILE 401 -4.543 6.437 0.509 653 1HG2 ILE 401 1HG2 ILE 401 -5.602 3.986 3.698 654 2HG2 ILE 401 2HG2 ILE 401 -4.732 5.516 3.803 655 3HG2 ILE 401 3HG2 ILE 401 -3.967 4.115 3.055 656 1HD1 ILE 401 1HD1 ILE 401 -6.252 7.823 0.449 657 2HD1 ILE 401 2HD1 ILE 401 -5.847 8.305 2.097 658 3HD1 ILE 401 3HD1 ILE 401 -7.019 7.017 1.818 659 H VAL 402 H VAL 402 -4.130 5.580 -1.005 660 HA VAL 402 HA VAL 402 -1.354 4.703 -0.534 661 HB VAL 402 HB VAL 402 -1.986 5.793 -3.208 662 1HG1 VAL 402 1HG1 VAL 402 -0.289 3.602 -2.070 663 2HG1 VAL 402 2HG1 VAL 402 0.200 5.058 -2.938 664 3HG1 VAL 402 3HG1 VAL 402 -0.574 3.733 -3.806 665 1HG2 VAL 402 1HG2 VAL 402 -2.709 3.372 -3.874 666 2HG2 VAL 402 2HG2 VAL 402 -3.905 4.517 -3.264 667 3HG2 VAL 402 3HG2 VAL 402 -3.243 3.280 -2.196 668 H GLU 403 H GLU 403 0.220 6.332 -0.499 669 HA GLU 403 HA GLU 403 -0.853 9.070 -0.529 670 1HB GLU 403 2HB GLU 403 1.335 7.737 1.029 671 2HB GLU 403 1HB GLU 403 1.390 9.473 0.753 672 1HG GLU 403 2HG GLU 403 -1.198 8.979 1.630 673 2HG GLU 403 1HG GLU 403 -0.176 7.948 2.632 674 H CYS 404 H CYS 404 -0.148 10.421 -2.030 675 HA CYS 404 HA CYS 404 2.134 9.583 -3.692 676 1HB CYS 404 2HB CYS 404 0.313 11.744 -4.618 677 2HB CYS 404 1HB CYS 404 1.109 10.474 -5.541 678 HG CYS 404 HG CYS 404 -1.532 10.045 -3.955 679 H ARG 405 H ARG 405 3.946 10.592 -3.013 680 HA ARG 405 HA ARG 405 3.815 13.484 -2.702 681 1HB ARG 405 2HB ARG 405 4.806 13.541 -0.550 682 2HB ARG 405 1HB ARG 405 3.491 12.382 -0.444 683 1HG ARG 405 2HG ARG 405 4.866 10.708 0.071 684 2HG ARG 405 1HG ARG 405 6.023 11.158 -1.185 685 1HD ARG 405 2HD ARG 405 7.367 12.079 0.322 686 2HD ARG 405 1HD ARG 405 6.067 13.115 0.903 687 HE ARG 405 HE ARG 405 6.872 10.533 2.008 688 1HH1 ARG 405 1HH1 ARG 405 4.722 13.284 2.122 689 2HH1 ARG 405 2HH1 ARG 405 4.181 12.948 3.730 690 1HH2 ARG 405 1HH2 ARG 405 6.152 10.090 4.119 691 2HH2 ARG 405 2HH2 ARG 405 4.991 11.137 4.865 692 H VAL 406 H VAL 406 6.410 13.667 -1.544 693 HA VAL 406 HA VAL 406 8.229 12.394 -3.417 694 HB VAL 406 HB VAL 406 9.152 14.905 -3.745 695 1HG1 VAL 406 1HG1 VAL 406 7.235 13.251 -5.334 696 2HG1 VAL 406 2HG1 VAL 406 8.934 13.612 -5.649 697 3HG1 VAL 406 3HG1 VAL 406 7.706 14.851 -5.913 698 1HG2 VAL 406 1HG2 VAL 406 6.181 15.264 -3.920 699 2HG2 VAL 406 2HG2 VAL 406 7.448 16.492 -3.986 700 3HG2 VAL 406 3HG2 VAL 406 7.082 15.681 -2.463 701 H GLY 407 H GLY 407 10.320 12.309 -2.720 702 1HA GLY 407 2HA GLY 407 10.992 12.140 -0.129 703 2HA GLY 407 1HA GLY 407 12.155 12.629 -1.350 704 H ASP 408 H ASP 408 10.632 15.147 -1.853 705 HA ASP 408 HA ASP 408 12.028 16.770 0.012 706 1HB ASP 408 2HB ASP 408 11.054 18.646 -1.146 707 2HB ASP 408 1HB ASP 408 11.505 17.434 -2.341 708 H GLY 409 H GLY 409 9.241 15.025 0.372 709 1HA GLY 409 2HA GLY 409 7.888 14.940 2.263 710 2HA GLY 409 1HA GLY 409 8.531 16.497 2.764 711 H THR 410 H THR 410 7.057 15.683 -0.350 712 HA THR 410 HA THR 410 4.816 17.474 0.352 713 HB THR 410 HB THR 410 6.433 17.448 -2.189 714 HG1 THR 410 HG1 THR 410 6.354 19.773 -1.708 715 1HG2 THR 410 1HG2 THR 410 4.520 17.751 -3.319 716 2HG2 THR 410 2HG2 THR 410 4.489 19.348 -2.571 717 3HG2 THR 410 3HG2 THR 410 3.589 18.016 -1.845 718 H VAL 411 H VAL 411 2.955 16.455 0.286 719 HA VAL 411 HA VAL 411 2.639 14.009 -1.288 720 HB VAL 411 HB VAL 411 0.919 15.299 0.829 721 1HG1 VAL 411 1HG1 VAL 411 -0.517 14.292 -0.877 722 2HG1 VAL 411 2HG1 VAL 411 -0.576 13.378 0.630 723 3HG1 VAL 411 3HG1 VAL 411 0.371 12.775 -0.731 724 1HG2 VAL 411 1HG2 VAL 411 3.119 13.662 1.048 725 2HG2 VAL 411 2HG2 VAL 411 1.769 12.536 1.174 726 3HG2 VAL 411 3HG2 VAL 411 1.883 13.904 2.282 727 H LEU 412 H LEU 412 1.976 14.260 -3.327 728 HA LEU 412 HA LEU 412 0.660 16.575 -4.298 729 1HB LEU 412 2HB LEU 412 0.941 13.828 -5.525 730 2HB LEU 412 1HB LEU 412 0.340 15.239 -6.373 731 HG LEU 412 HG LEU 412 2.478 15.386 -7.081 732 1HD1 LEU 412 1HD1 LEU 412 3.717 16.982 -5.910 733 2HD1 LEU 412 2HD1 LEU 412 3.138 16.416 -4.343 734 3HD1 LEU 412 3HD1 LEU 412 2.049 17.287 -5.422 735 1HD2 LEU 412 1HD2 LEU 412 3.026 13.632 -4.759 736 2HD2 LEU 412 2HD2 LEU 412 4.372 14.579 -5.394 737 3HD2 LEU 412 3HD2 LEU 412 3.504 13.464 -6.449 738 H GLY 413 H GLY 413 -0.442 13.388 -3.257 739 1HA GLY 413 2HA GLY 413 -3.039 14.343 -2.639 740 2HA GLY 413 1HA GLY 413 -3.070 13.474 -4.165 741 H THR 414 H THR 414 -4.384 11.838 -3.324 742 HA THR 414 HA THR 414 -3.114 9.563 -2.368 743 HB THR 414 HB THR 414 -2.900 10.927 -0.269 744 HG1 THR 414 HG1 THR 414 -3.148 9.145 0.899 745 1HG2 THR 414 1HG2 THR 414 -4.805 12.196 -0.030 746 2HG2 THR 414 2HG2 THR 414 -5.137 10.869 1.085 747 3HG2 THR 414 3HG2 THR 414 -5.872 10.879 -0.519 748 H GLY 415 H GLY 415 -4.579 7.778 -2.010 749 1HA GLY 415 2HA GLY 415 -7.420 8.309 -2.405 750 2HA GLY 415 1HA GLY 415 -6.610 7.406 -3.675 751 H VAL 416 H VAL 416 -8.505 6.005 -2.803 752 HA VAL 416 HA VAL 416 -7.306 3.906 -1.214 753 HB VAL 416 HB VAL 416 -8.573 5.594 0.298 754 1HG1 VAL 416 1HG1 VAL 416 -10.785 5.813 0.139 755 2HG1 VAL 416 2HG1 VAL 416 -11.028 4.074 -0.024 756 3HG1 VAL 416 3HG1 VAL 416 -10.636 5.046 -1.442 757 1HG2 VAL 416 1HG2 VAL 416 -9.292 2.672 0.511 758 2HG2 VAL 416 2HG2 VAL 416 -9.162 3.840 1.826 759 3HG2 VAL 416 3HG2 VAL 416 -7.717 3.339 0.946 760 H GLY 417 H GLY 417 -8.632 1.925 -1.232 761 1HA GLY 417 2HA GLY 417 -10.900 1.744 -2.981 762 2HA GLY 417 1HA GLY 417 -9.437 1.123 -3.730 763 H ARG 418 H ARG 418 -11.439 -0.646 -3.434 764 HA ARG 418 HA ARG 418 -11.193 -2.059 -0.920 765 1HB ARG 418 2HB ARG 418 -12.618 -3.779 -2.355 766 2HB ARG 418 1HB ARG 418 -13.342 -2.343 -1.646 767 1HG ARG 418 2HG ARG 418 -12.221 -2.061 -4.364 768 2HG ARG 418 1HG ARG 418 -13.677 -3.042 -4.196 769 1HD ARG 418 2HD ARG 418 -13.566 -0.379 -2.863 770 2HD ARG 418 1HD ARG 418 -13.826 -0.448 -4.604 771 HE ARG 418 HE ARG 418 -15.699 -1.132 -2.551 772 1HH1 ARG 418 1HH1 ARG 418 -14.748 -1.768 -5.842 773 2HH1 ARG 418 2HH1 ARG 418 -16.326 -2.291 -6.332 774 1HH2 ARG 418 1HH2 ARG 418 -17.778 -1.819 -3.187 775 2HH2 ARG 418 2HH2 ARG 418 -18.049 -2.317 -4.823 776 H ASN 419 H ASN 419 -10.146 -2.515 -4.268 777 HA ASN 419 HA ASN 419 -8.627 -4.889 -3.439 778 1HB ASN 419 2HB ASN 419 -8.303 -4.864 -6.111 779 2HB ASN 419 1HB ASN 419 -9.669 -5.648 -5.325 780 1HD2 ASN 419 1HD2 ASN 419 -9.017 -3.983 -7.909 781 2HD2 ASN 419 2HD2 ASN 419 -10.426 -2.997 -8.065 782 H ILE 420 H ILE 420 -7.948 -2.238 -2.760 783 HA ILE 420 HA ILE 420 -6.301 -0.698 -2.726 784 HB ILE 420 HB ILE 420 -4.259 -1.509 -2.224 785 1HG1 ILE 420 2HG1 ILE 420 -3.537 -3.850 -3.232 786 2HG1 ILE 420 1HG1 ILE 420 -4.651 -3.393 -4.510 787 1HG2 ILE 420 1HG2 ILE 420 -6.163 -2.722 -1.062 788 2HG2 ILE 420 2HG2 ILE 420 -4.570 -3.474 -0.964 789 3HG2 ILE 420 3HG2 ILE 420 -5.773 -4.100 -2.092 790 1HD1 ILE 420 1HD1 ILE 420 -3.372 -1.468 -5.051 791 2HD1 ILE 420 2HD1 ILE 420 -2.240 -2.811 -4.889 792 3HD1 ILE 420 3HD1 ILE 420 -2.401 -1.632 -3.588 793 H LYS 421 H LYS 421 -5.796 -2.670 -5.697 794 HA LYS 421 HA LYS 421 -4.026 -1.057 -6.989 795 1HB LYS 421 2HB LYS 421 -4.461 -2.808 -8.342 796 2HB LYS 421 1HB LYS 421 -6.140 -2.918 -7.838 797 1HG LYS 421 2HG LYS 421 -5.221 -0.734 -9.662 798 2HG LYS 421 1HG LYS 421 -5.608 -2.343 -10.281 799 1HD LYS 421 2HD LYS 421 -7.752 -1.846 -8.688 800 2HD LYS 421 1HD LYS 421 -7.371 -0.229 -9.274 801 1HE LYS 421 2HE LYS 421 -7.271 -2.247 -11.371 802 2HE LYS 421 1HE LYS 421 -8.855 -2.138 -10.606 803 1HZ LYS 421 1HZ LYS 421 -8.602 -0.653 -12.532 804 2HZ LYS 421 2HZ LYS 421 -7.366 0.175 -11.724 805 3HZ LYS 421 3HZ LYS 421 -8.940 0.193 -11.105 806 H ILE 422 H ILE 422 -7.555 -0.690 -6.879 807 HA ILE 422 HA ILE 422 -7.827 1.591 -8.407 808 HB ILE 422 HB ILE 422 -9.327 1.900 -5.933 809 1HG1 ILE 422 2HG1 ILE 422 -10.799 -0.140 -6.473 810 2HG1 ILE 422 1HG1 ILE 422 -9.397 -0.759 -7.342 811 1HG2 ILE 422 1HG2 ILE 422 -9.899 3.007 -8.000 812 2HG2 ILE 422 2HG2 ILE 422 -11.216 1.944 -7.496 813 3HG2 ILE 422 3HG2 ILE 422 -10.134 1.450 -8.799 814 1HD1 ILE 422 1HD1 ILE 422 -8.839 -1.664 -5.385 815 2HD1 ILE 422 2HD1 ILE 422 -9.911 -0.596 -4.481 816 3HD1 ILE 422 3HD1 ILE 422 -8.306 -0.038 -4.951 817 H ALA 423 H ALA 423 -6.750 1.200 -5.074 818 HA ALA 423 HA ALA 423 -6.458 3.964 -4.510 819 1HB ALA 423 1HB ALA 423 -5.827 3.261 -2.476 820 2HB ALA 423 2HB ALA 423 -4.579 2.202 -3.134 821 3HB ALA 423 3HB ALA 423 -6.252 1.647 -3.047 822 H GLY 424 H GLY 424 -4.347 1.462 -5.846 823 1HA GLY 424 2HA GLY 424 -1.973 2.987 -5.949 824 2HA GLY 424 1HA GLY 424 -2.349 1.609 -6.978 825 H ILE 425 H ILE 425 -4.037 2.123 -8.729 826 HA ILE 425 HA ILE 425 -3.001 4.009 -10.492 827 HB ILE 425 HB ILE 425 -5.748 2.776 -10.331 828 1HG1 ILE 425 2HG1 ILE 425 -5.009 1.373 -12.087 829 2HG1 ILE 425 1HG1 ILE 425 -3.634 2.413 -12.449 830 1HG2 ILE 425 1HG2 ILE 425 -6.020 3.647 -12.698 831 2HG2 ILE 425 2HG2 ILE 425 -4.696 4.755 -12.337 832 3HG2 ILE 425 3HG2 ILE 425 -6.189 4.829 -11.401 833 1HD1 ILE 425 1HD1 ILE 425 -2.608 1.779 -10.322 834 2HD1 ILE 425 2HD1 ILE 425 -2.912 0.382 -11.357 835 3HD1 ILE 425 3HD1 ILE 425 -3.975 0.714 -9.989 836 H ARG 426 H ARG 426 -5.762 4.285 -8.275 837 HA ARG 426 HA ARG 426 -6.617 6.843 -8.887 838 1HB ARG 426 2HB ARG 426 -7.848 5.458 -7.326 839 2HB ARG 426 1HB ARG 426 -6.493 5.455 -6.204 840 1HG ARG 426 2HG ARG 426 -8.300 6.948 -5.496 841 2HG ARG 426 1HG ARG 426 -6.785 7.810 -5.773 842 1HD ARG 426 2HD ARG 426 -7.554 8.652 -7.859 843 2HD ARG 426 1HD ARG 426 -8.964 7.594 -7.835 844 HE ARG 426 HE ARG 426 -8.753 10.149 -6.631 845 1HH1 ARG 426 1HH1 ARG 426 -10.113 6.981 -6.142 846 2HH1 ARG 426 2HH1 ARG 426 -11.413 7.548 -5.148 847 1HH2 ARG 426 1HH2 ARG 426 -10.467 10.911 -5.321 848 2HH2 ARG 426 2HH2 ARG 426 -11.615 9.782 -4.682 849 H ALA 427 H ALA 427 -4.083 5.830 -6.606 850 HA ALA 427 HA ALA 427 -3.330 8.260 -5.576 851 1HB ALA 427 1HB ALA 427 -2.355 5.875 -5.180 852 2HB ALA 427 2HB ALA 427 -1.324 7.288 -4.953 853 3HB ALA 427 3HB ALA 427 -1.203 6.338 -6.435 854 H ALA 428 H ALA 428 -2.231 6.757 -8.612 855 HA ALA 428 HA ALA 428 -0.550 8.828 -9.457 856 1HB ALA 428 1HB ALA 428 -0.574 7.857 -11.583 857 2HB ALA 428 2HB ALA 428 -2.223 7.260 -11.395 858 3HB ALA 428 3HB ALA 428 -0.903 6.501 -10.506 859 H GLU 429 H GLU 429 -3.940 8.206 -10.371 860 HA GLU 429 HA GLU 429 -4.464 10.478 -11.801 861 1HB GLU 429 2HB GLU 429 -5.956 8.393 -11.042 862 2HB GLU 429 1HB GLU 429 -6.573 9.584 -9.906 863 1HG GLU 429 2HG GLU 429 -6.576 10.920 -12.321 864 2HG GLU 429 1HG GLU 429 -7.071 9.283 -12.743 865 H ASN 430 H ASN 430 -3.816 10.210 -8.444 866 HA ASN 430 HA ASN 430 -5.064 12.710 -7.720 867 1HB ASN 430 2HB ASN 430 -3.730 10.497 -6.313 868 2HB ASN 430 1HB ASN 430 -3.427 12.086 -5.621 869 1HD2 ASN 430 1HD2 ASN 430 -5.750 9.613 -6.213 870 2HD2 ASN 430 2HD2 ASN 430 -7.030 10.290 -5.272 871 H ALA 431 H ALA 431 -1.811 11.513 -8.427 872 HA ALA 431 HA ALA 431 -0.414 13.814 -7.584 873 1HB ALA 431 1HB ALA 431 0.229 11.418 -9.161 874 2HB ALA 431 2HB ALA 431 1.130 12.207 -7.867 875 3HB ALA 431 3HB ALA 431 1.210 12.842 -9.510 876 H LEU 432 H LEU 432 -1.807 12.886 -10.684 877 HA LEU 432 HA LEU 432 -0.903 15.392 -11.869 878 1HB LEU 432 2HB LEU 432 -2.008 14.559 -13.939 879 2HB LEU 432 1HB LEU 432 -0.707 13.550 -13.342 880 HG LEU 432 HG LEU 432 -2.923 12.486 -14.232 881 1HD1 LEU 432 1HD1 LEU 432 -1.181 11.698 -11.971 882 2HD1 LEU 432 2HD1 LEU 432 -1.452 10.915 -13.527 883 3HD1 LEU 432 3HD1 LEU 432 -2.646 10.755 -12.241 884 1HD2 LEU 432 1HD2 LEU 432 -3.669 12.955 -11.358 885 2HD2 LEU 432 2HD2 LEU 432 -4.612 12.117 -12.590 886 3HD2 LEU 432 3HD2 LEU 432 -4.347 13.851 -12.715 887 H ARG 433 H ARG 433 -3.192 14.831 -9.775 888 HA ARG 433 HA ARG 433 -5.410 16.133 -11.136 889 1HB ARG 433 2HB ARG 433 -6.169 14.436 -9.723 890 2HB ARG 433 1HB ARG 433 -5.029 14.852 -8.451 891 1HG ARG 433 2HG ARG 433 -6.300 16.702 -7.768 892 2HG ARG 433 1HG ARG 433 -7.271 16.681 -9.241 893 1HD ARG 433 2HD ARG 433 -7.261 14.339 -7.379 894 2HD ARG 433 1HD ARG 433 -8.278 15.743 -7.051 895 HE ARG 433 HE ARG 433 -8.884 15.139 -9.612 896 1HH1 ARG 433 1HH1 ARG 433 -8.774 13.261 -6.680 897 2HH1 ARG 433 2HH1 ARG 433 -10.017 12.164 -7.183 898 1HH2 ARG 433 1HH2 ARG 433 -10.519 13.706 -10.284 899 2HH2 ARG 433 2HH2 ARG 433 -11.011 12.418 -9.235 900 H ASP 434 H ASP 434 -2.634 17.244 -9.915 901 HA ASP 434 HA ASP 434 -3.876 19.658 -8.767 902 1HB ASP 434 2HB ASP 434 -1.274 18.281 -8.182 903 2HB ASP 434 1HB ASP 434 -1.491 19.988 -7.808 904 H LYS 435 H LYS 435 -4.157 20.655 -10.782 905 HA LYS 435 HA LYS 435 -2.319 20.941 -12.815 906 1HB LYS 435 2HB LYS 435 -3.721 22.530 -13.675 907 2HB LYS 435 1HB LYS 435 -4.803 21.853 -12.467 908 1HG LYS 435 2HG LYS 435 -4.366 23.657 -10.964 909 2HG LYS 435 1HG LYS 435 -3.077 24.273 -11.998 910 1HD LYS 435 2HD LYS 435 -5.941 24.040 -12.899 911 2HD LYS 435 1HD LYS 435 -5.280 25.493 -12.143 912 1HE LYS 435 2HE LYS 435 -5.006 25.980 -14.374 913 2HE LYS 435 1HE LYS 435 -3.442 25.270 -13.979 914 1HZ LYS 435 1HZ LYS 435 -3.817 23.521 -15.304 915 2HZ LYS 435 2HZ LYS 435 -4.988 24.501 -16.031 916 3HZ LYS 435 3HZ LYS 435 -5.441 23.374 -14.853 917 H LYS 436 H LYS 436 -2.780 23.059 -10.001 918 HA LYS 436 HA LYS 436 -0.715 24.857 -10.532 919 1HB LYS 436 2HB LYS 436 -1.361 24.079 -7.716 920 2HB LYS 436 1HB LYS 436 -1.051 25.674 -8.389 921 1HG LYS 436 2HG LYS 436 -3.322 24.989 -9.706 922 2HG LYS 436 1HG LYS 436 -3.560 24.179 -8.155 923 1HD LYS 436 2HD LYS 436 -4.399 26.205 -7.578 924 2HD LYS 436 1HD LYS 436 -2.696 26.554 -7.274 925 1HE LYS 436 2HE LYS 436 -3.734 26.994 -10.020 926 2HE LYS 436 1HE LYS 436 -4.223 28.133 -8.768 927 1HZ LYS 436 1HZ LYS 436 -1.877 28.166 -10.188 928 2HZ LYS 436 2HZ LYS 436 -1.430 27.601 -8.658 929 3HZ LYS 436 3HZ LYS 436 -2.233 29.082 -8.809 930 H MET 437 H MET 437 -0.694 21.805 -8.721 931 HA MET 437 HA MET 437 2.020 21.962 -7.926 932 1HB MET 437 2HB MET 437 0.223 20.445 -6.953 933 2HB MET 437 1HB MET 437 0.460 19.416 -8.360 934 1HG MET 437 2HG MET 437 2.872 20.161 -6.825 935 2HG MET 437 1HG MET 437 1.743 19.048 -6.056 936 1HE MET 437 1HE MET 437 0.815 16.922 -7.276 937 2HE MET 437 2HE MET 437 1.611 16.105 -8.621 938 3HE MET 437 3HE MET 437 0.654 17.558 -8.913 939 H LEU 438 H LEU 438 0.397 20.255 -10.590 940 HA LEU 438 HA LEU 438 2.630 19.080 -11.759 941 1HB LEU 438 2HB LEU 438 0.070 20.120 -12.958 942 2HB LEU 438 1HB LEU 438 1.279 19.279 -13.911 943 HG LEU 438 HG LEU 438 -0.251 18.138 -11.569 944 1HD1 LEU 438 1HD1 LEU 438 -1.693 18.241 -13.428 945 2HD1 LEU 438 2HD1 LEU 438 -1.079 16.587 -13.387 946 3HD1 LEU 438 3HD1 LEU 438 -0.419 17.746 -14.542 947 1HD2 LEU 438 1HD2 LEU 438 1.848 16.889 -13.340 948 2HD2 LEU 438 2HD2 LEU 438 0.854 16.021 -12.170 949 3HD2 LEU 438 3HD2 LEU 438 2.001 17.242 -11.619 950 H ASP 439 H ASP 439 1.036 22.079 -12.845 951 HA ASP 439 HA ASP 439 3.049 22.925 -14.575 952 1HB ASP 439 2HB ASP 439 0.784 23.911 -14.518 953 2HB ASP 439 1HB ASP 439 1.145 24.638 -12.955 954 H PHE 440 H PHE 440 2.711 23.176 -11.126 955 HA PHE 440 HA PHE 440 4.611 25.164 -10.586 956 1HB PHE 440 2HB PHE 440 3.466 24.684 -8.673 957 2HB PHE 440 1HB PHE 440 3.320 22.976 -9.060 958 HD1 PHE 440 HD1 PHE 440 4.158 21.712 -7.344 959 HD2 PHE 440 HD2 PHE 440 6.249 25.223 -8.528 960 HE1 PHE 440 HE1 PHE 440 5.934 21.195 -5.721 961 HE2 PHE 440 HE2 PHE 440 8.032 24.715 -6.908 962 HZ PHE 440 HZ PHE 440 7.876 22.698 -5.501 963 H TYR 441 H TYR 441 4.947 21.700 -11.128 964 HA TYR 441 HA TYR 441 7.788 21.757 -10.624 965 1HB TYR 441 2HB TYR 441 5.834 19.627 -11.417 966 2HB TYR 441 1HB TYR 441 7.570 19.342 -11.556 967 HD1 TYR 441 HD1 TYR 441 4.765 19.652 -9.308 968 HD2 TYR 441 HD2 TYR 441 9.001 19.462 -9.538 969 HE1 TYR 441 HE1 TYR 441 4.863 19.169 -6.901 970 HE2 TYR 441 HE2 TYR 441 9.124 18.976 -7.137 971 HH TYR 441 HH TYR 441 6.862 19.560 -5.020 972 H ALA 442 H ALA 442 5.688 22.222 -13.282 973 HA ALA 442 HA ALA 442 7.506 21.527 -15.365 974 1HB ALA 442 1HB ALA 442 5.786 22.012 -16.702 975 2HB ALA 442 2HB ALA 442 5.718 23.673 -16.112 976 3HB ALA 442 3HB ALA 442 4.855 22.395 -15.255 977 H LYS 443 H LYS 443 6.564 24.607 -13.876 978 HA LYS 443 HA LYS 443 8.462 26.217 -15.193 979 1HB LYS 443 2HB LYS 443 6.740 27.415 -14.160 980 2HB LYS 443 1HB LYS 443 6.863 26.493 -12.667 981 1HG LYS 443 2HG LYS 443 8.923 27.614 -12.099 982 2HG LYS 443 1HG LYS 443 8.913 28.471 -13.640 983 1HD LYS 443 2HD LYS 443 6.728 29.486 -12.968 984 2HD LYS 443 1HD LYS 443 6.942 28.755 -11.376 985 1HE LYS 443 2HE LYS 443 8.322 30.382 -10.740 986 2HE LYS 443 1HE LYS 443 9.314 30.183 -12.185 987 1HZ LYS 443 1HZ LYS 443 7.644 31.543 -13.384 988 2HZ LYS 443 2HZ LYS 443 8.452 32.387 -12.162 989 3HZ LYS 443 3HZ LYS 443 6.870 31.843 -11.909 990 H GLN 444 H GLN 444 8.511 24.510 -12.076 991 HA GLN 444 HA GLN 444 11.044 25.365 -11.222 992 1HB GLN 444 2HB GLN 444 9.249 23.081 -10.569 993 2HB GLN 444 1HB GLN 444 10.938 22.925 -10.106 994 1HG GLN 444 2HG GLN 444 10.308 25.448 -9.242 995 2HG GLN 444 1HG GLN 444 8.821 24.547 -8.947 996 1HE2 GLN 444 1HE2 GLN 444 10.324 22.034 -8.613 997 2HE2 GLN 444 2HE2 GLN 444 11.033 22.121 -7.046 998 H ARG 445 H ARG 445 10.096 22.394 -12.943 999 HA ARG 445 HA ARG 445 12.460 21.126 -13.289 1000 1HB ARG 445 2HB ARG 445 9.967 21.224 -14.706 1001 2HB ARG 445 1HB ARG 445 11.285 21.150 -15.868 1002 1HG ARG 445 2HG ARG 445 10.914 19.236 -13.575 1003 2HG ARG 445 1HG ARG 445 10.411 18.933 -15.239 1004 1HD ARG 445 2HD ARG 445 13.242 19.684 -14.613 1005 2HD ARG 445 1HD ARG 445 12.692 18.020 -14.415 1006 HE ARG 445 HE ARG 445 11.963 18.980 -16.968 1007 1HH1 ARG 445 1HH1 ARG 445 14.748 17.961 -15.138 1008 2HH1 ARG 445 2HH1 ARG 445 15.628 17.429 -16.532 1009 1HH2 ARG 445 1HH2 ARG 445 13.110 18.279 -18.805 1010 2HH2 ARG 445 2HH2 ARG 445 14.697 17.610 -18.618 1011 H ALA 446 H ALA 446 11.261 23.789 -15.317 1012 HA ALA 446 HA ALA 446 13.709 24.010 -16.782 1013 1HB ALA 446 1HB ALA 446 11.115 25.053 -17.029 1014 2HB ALA 446 2HB ALA 446 12.475 25.281 -18.127 1015 3HB ALA 446 3HB ALA 446 12.183 26.443 -16.834 1016 H ALA 447 H ALA 447 12.376 25.431 -13.896 1017 HA ALA 447 HA ALA 447 14.818 27.051 -13.573 1018 1HB ALA 447 1HB ALA 447 13.291 28.325 -11.898 1019 2HB ALA 447 2HB ALA 447 11.980 27.578 -12.811 1020 3HB ALA 447 3HB ALA 447 13.137 28.630 -13.628 1021 H ILE 448 H ILE 448 15.312 24.598 -12.810 1022 HA ILE 448 HA ILE 448 14.692 24.381 -9.946 1023 HB ILE 448 HB ILE 448 15.704 22.075 -10.176 1024 1HG1 ILE 448 2HG1 ILE 448 15.330 22.573 -13.131 1025 2HG1 ILE 448 1HG1 ILE 448 16.897 22.645 -12.333 1026 1HG2 ILE 448 1HG2 ILE 448 13.173 22.966 -10.535 1027 2HG2 ILE 448 2HG2 ILE 448 13.633 21.265 -10.478 1028 3HG2 ILE 448 3HG2 ILE 448 13.435 22.073 -12.032 1029 1HD1 ILE 448 1HD1 ILE 448 17.111 20.440 -12.368 1030 2HD1 ILE 448 2HD1 ILE 448 15.731 20.423 -13.466 1031 3HD1 ILE 448 3HD1 ILE 448 15.484 20.190 -11.735 1032 HA PRO 449 HA PRO 449 18.801 26.196 -9.436 1033 1HB PRO 449 2HB PRO 449 17.951 25.906 -6.611 1034 2HB PRO 449 1HB PRO 449 18.561 27.328 -7.461 1035 1HG PRO 449 2HG PRO 449 15.985 27.120 -6.819 1036 2HG PRO 449 1HG PRO 449 16.487 27.839 -8.362 1037 1HD PRO 449 2HD PRO 449 15.398 25.108 -7.807 1038 2HD PRO 449 1HD PRO 449 15.064 26.202 -9.163 1039 H ARG 450 H ARG 450 19.873 25.510 -6.804 1040 HA ARG 450 HA ARG 450 21.452 23.322 -7.434 1041 1HB ARG 450 2HB ARG 450 22.002 23.277 -4.998 1042 2HB ARG 450 1HB ARG 450 22.122 24.873 -5.725 1043 1HG ARG 450 2HG ARG 450 20.166 25.623 -4.686 1044 2HG ARG 450 1HG ARG 450 19.646 23.984 -4.290 1045 1HD ARG 450 2HD ARG 450 21.274 23.765 -2.602 1046 2HD ARG 450 1HD ARG 450 22.161 25.181 -3.165 1047 HE ARG 450 HE ARG 450 20.821 26.450 -1.837 1048 1HH1 ARG 450 1HH1 ARG 450 19.140 23.483 -2.557 1049 2HH1 ARG 450 2HH1 ARG 450 17.782 23.858 -1.550 1050 1HH2 ARG 450 1HH2 ARG 450 19.037 26.947 -0.504 1051 2HH2 ARG 450 2HH2 ARG 450 17.723 25.825 -0.385 1052 H SER 451 H SER 451 21.486 21.536 -5.401 1053 HA SER 451 HA SER 451 18.878 20.384 -4.973 1054 1HB SER 451 2HB SER 451 20.448 19.566 -7.238 1055 2HB SER 451 1HB SER 451 20.330 18.228 -6.095 1056 HG SER 451 HG SER 451 18.177 19.706 -7.208 1057 H GLU 452 H GLU 452 18.870 19.366 -3.065 1058 HA GLU 452 HA GLU 452 21.249 18.016 -2.094 1059 1HB GLU 452 2HB GLU 452 21.318 20.494 -1.406 1060 2HB GLU 452 1HB GLU 452 19.983 20.101 -0.332 1061 1HG GLU 452 2HG GLU 452 22.063 20.040 0.878 1062 2HG GLU 452 1HG GLU 452 21.384 18.416 0.771 1063 H SER 453 HN SER 453 20.729 16.239 -0.975 1064 HA SER 453 HA SER 453 18.330 16.066 0.602 1065 1HB SER 453 2HB SER 453 17.213 14.336 -0.619 1066 2HB SER 453 1HB SER 453 17.556 15.628 -1.769 1067 HG SER 453 HG SER 453 18.807 14.321 -2.837 Start of MODEL 4 1 1H5* G 1 2H5* G 1 -15.029 -28.006 -5.863 2 2H5* G 1 1H5* G 1 -13.671 -27.069 -6.520 3 H4* G 1 H4* G 1 -15.706 -26.429 -7.686 4 H3* G 1 H3* G 1 -14.384 -24.458 -5.838 5 H2* G 1 H2* G 1 -16.152 -22.901 -6.006 6 2HO* G 1 HO2* G 1 -16.847 -24.413 -8.305 7 H1* G 1 H1* G 1 -18.246 -24.555 -5.801 8 H8 G 1 H8 G 1 -15.624 -26.137 -3.660 9 H1 G 1 H1 G 1 -18.142 -20.967 -0.906 10 1H2 G 1 1H2 G 1 -19.372 -19.850 -2.376 11 2H2 G 1 2H2 G 1 -19.571 -20.379 -4.031 12 H5T G 1 H5T G 1 -13.524 -25.956 -4.704 13 1H5* G 2 2H5* G 2 -16.607 -22.266 -8.408 14 2H5* G 2 1H5* G 2 -15.510 -21.443 -9.533 15 H4* G 2 H4* G 2 -17.130 -19.815 -8.858 16 H3* G 2 H3* G 2 -14.464 -19.523 -7.415 17 H2* G 2 H2* G 2 -15.328 -17.564 -6.382 18 2HO* G 2 HO2* G 2 -16.658 -17.324 -8.657 19 H1* G 2 H1* G 2 -17.847 -18.540 -5.879 20 H8 G 2 H8 G 2 -15.253 -21.176 -5.152 21 H1 G 2 H1 G 2 -15.808 -16.902 -0.460 22 1H2 G 2 1H2 G 2 -17.046 -15.189 -1.133 23 2H2 G 2 2H2 G 2 -17.735 -15.100 -2.739 24 1H5* G 3 2H5* G 3 -15.899 -15.461 -8.444 25 2H5* G 3 1H5* G 3 -14.450 -14.729 -9.152 26 H4* G 3 H4* G 3 -15.498 -13.453 -7.207 27 H3* G 3 H3* G 3 -12.637 -14.196 -7.592 28 H2* G 3 H2* G 3 -12.085 -14.198 -5.370 29 2HO* G 3 HO2* G 3 -12.220 -11.861 -5.543 30 H1* G 3 H1* G 3 -14.744 -13.671 -4.250 31 H8 G 3 H8 G 3 -13.562 -17.126 -5.254 32 H1 G 3 H1 G 3 -12.248 -15.629 0.813 33 1H2 G 3 1H2 G 3 -12.688 -13.503 1.179 34 2H2 G 3 2H2 G 3 -13.306 -12.441 -0.064 35 1H5* A 4 2H5* A 4 -13.215 -9.765 -5.509 36 2H5* A 4 1H5* A 4 -11.929 -8.901 -6.376 37 H4* A 4 H4* A 4 -11.750 -8.371 -4.015 38 H3* A 4 H3* A 4 -9.638 -10.193 -5.187 39 H2* A 4 H2* A 4 -8.650 -10.511 -3.098 40 2HO* A 4 HO2* A 4 -9.752 -8.641 -1.521 41 H1* A 4 H1* A 4 -10.927 -10.154 -1.463 42 H8 A 4 H8 A 4 -10.984 -12.757 -4.247 43 1H6 A 4 1H6 A 4 -8.978 -16.773 -0.030 44 2H6 A 4 2H6 A 4 -9.568 -16.591 -1.667 45 H2 A 4 H2 A 4 -8.915 -12.667 1.799 46 1H5* U 5 2H5* U 5 -8.158 -6.557 -2.303 47 2H5* U 5 1H5* U 5 -6.661 -6.117 -3.149 48 H4* U 5 H4* U 5 -6.310 -6.319 -0.704 49 H3* U 5 H3* U 5 -4.924 -8.268 -2.573 50 H2* U 5 H2* U 5 -3.834 -9.228 -0.685 51 2HO* U 5 HO2* U 5 -4.919 -7.520 1.222 52 H1* U 5 H1* U 5 -5.997 -9.321 0.957 53 H3 U 5 H3 U 5 -5.483 -13.642 -0.218 54 H5 U 5 H5 U 5 -6.794 -11.804 -3.775 55 H6 U 5 H6 U 5 -6.664 -9.663 -2.642 56 1H5* A 6 2H5* A 6 -2.303 -7.000 0.724 57 2H5* A 6 1H5* A 6 -0.702 -6.731 0.006 58 H4* A 6 H4* A 6 -0.769 -8.399 1.929 59 H3* A 6 H3* A 6 0.304 -9.055 -0.833 60 H2* A 6 H2* A 6 0.739 -11.251 -0.172 61 2HO* A 6 HO2* A 6 0.817 -10.162 2.457 62 H1* A 6 H1* A 6 -1.284 -11.508 1.787 63 H8 A 6 H8 A 6 -2.470 -10.524 -1.675 64 1H6 A 6 1H6 A 6 -2.722 -16.523 -2.991 65 2H6 A 6 2H6 A 6 -3.128 -14.914 -3.540 66 H2 A 6 H2 A 6 -0.672 -16.061 0.986 67 1H5* C 7 2H5* C 7 2.746 -10.773 2.901 68 2H5* C 7 1H5* C 7 4.333 -10.117 2.456 69 H4* C 7 H4* C 7 4.612 -12.427 3.162 70 H3* C 7 H3* C 7 4.968 -11.784 0.231 71 H2* C 7 H2* C 7 5.274 -14.045 -0.314 72 2HO* C 7 HO2* C 7 5.419 -14.836 2.400 73 H1* C 7 H1* C 7 3.458 -15.185 1.366 74 1H4 C 7 1H4 C 7 0.499 -14.668 -4.231 75 2H4 C 7 2H4 C 7 0.555 -12.923 -4.152 76 H5 C 7 H5 C 7 1.613 -11.719 -2.363 77 H6 C 7 H6 C 7 2.838 -11.918 -0.254 78 1H5* C 8 2H5* C 8 8.106 -14.997 1.709 79 2H5* C 8 1H5* C 8 9.579 -14.253 1.056 80 H4* C 8 H4* C 8 9.526 -16.627 0.474 81 H3* C 8 H3* C 8 9.126 -14.635 -1.787 82 H2* C 8 H2* C 8 9.021 -16.451 -3.320 83 2HO* C 8 HO2* C 8 9.405 -18.671 -2.174 84 H1* C 8 H1* C 8 7.486 -18.126 -1.797 85 1H4 C 8 1H4 C 8 3.229 -15.120 -5.420 86 2H4 C 8 2H4 C 8 3.497 -13.618 -4.563 87 H5 C 8 H5 C 8 5.154 -13.364 -2.834 88 H6 C 8 H6 C 8 6.913 -14.493 -1.554 89 1H5* A 9 2H5* A 9 11.980 -17.578 -3.441 90 2H5* A 9 1H5* A 9 12.912 -16.627 -4.616 91 H4* A 9 H4* A 9 11.369 -18.518 -5.516 92 H3* A 9 H3* A 9 11.525 -15.666 -6.535 93 H2* A 9 H2* A 9 9.777 -16.053 -8.033 94 2HO* A 9 HO2* A 9 9.475 -18.702 -8.132 95 H1* A 9 H1* A 9 8.472 -18.152 -6.619 96 H8 A 9 H8 A 9 8.763 -14.880 -4.745 97 1H6 A 9 1H6 A 9 3.554 -13.139 -7.503 98 2H6 A 9 2H6 A 9 4.722 -12.750 -6.260 99 H2 A 9 H2 A 9 4.935 -16.962 -9.432 100 1H5* U 10 2H5* U 10 10.876 -18.333 -10.034 101 2H5* U 10 1H5* U 10 12.125 -17.793 -11.173 102 H4* U 10 H4* U 10 9.877 -17.724 -12.205 103 H3* U 10 H3* U 10 11.489 -15.214 -11.761 104 H2* U 10 H2* U 10 9.702 -13.823 -12.207 105 2HO* U 10 HO2* U 10 8.026 -14.843 -13.793 106 H1* U 10 H1* U 10 7.584 -15.822 -12.066 107 H3 U 10 H3 U 10 5.368 -12.456 -10.110 108 H5 U 10 H5 U 10 8.962 -12.609 -7.930 109 H6 U 10 H6 U 10 9.724 -14.361 -9.423 110 1H5* G 11 2H5* G 11 9.870 -16.493 -16.153 111 2H5* G 11 1H5* G 11 10.464 -15.359 -17.382 112 H4* G 11 H4* G 11 7.917 -15.854 -17.310 113 H3* G 11 H3* G 11 9.206 -13.107 -17.415 114 H2* G 11 H2* G 11 7.095 -12.094 -17.331 115 2HO* G 11 HO2* G 11 6.023 -14.604 -18.187 116 H1* G 11 H1* G 11 5.750 -14.091 -15.853 117 H8 G 11 H8 G 11 8.738 -12.922 -13.964 118 H1 G 11 H1 G 11 3.953 -8.709 -13.707 119 1H2 G 11 1H2 G 11 2.395 -9.239 -15.187 120 2H2 G 11 2H2 G 11 2.530 -10.630 -16.239 121 1H5* U 12 2H5* U 12 5.872 -14.372 -20.180 122 2H5* U 12 1H5* U 12 5.812 -13.457 -21.701 123 H4* U 12 H4* U 12 3.645 -13.606 -20.276 124 H3* U 12 H3* U 12 4.859 -11.144 -21.536 125 H2* U 12 H2* U 12 3.264 -9.734 -20.530 126 2HO* U 12 HO2* U 12 1.760 -12.103 -20.447 127 H1* U 12 H1* U 12 3.042 -10.950 -18.096 128 H3 U 12 H3 U 12 5.007 -6.903 -17.417 129 H5 U 12 H5 U 12 8.132 -9.429 -18.699 130 H6 U 12 H6 U 12 6.467 -11.123 -19.202 131 1H5* U 13 2H5* U 13 0.329 -11.035 -21.326 132 2H5* U 13 1H5* U 13 -0.172 -10.309 -22.866 133 H4* U 13 H4* U 13 -0.950 -9.148 -20.685 134 H3* U 13 H3* U 13 0.381 -7.824 -23.061 135 H2* U 13 H2* U 13 0.553 -5.807 -21.936 136 2HO* U 13 HO2* U 13 -1.270 -6.054 -19.939 137 H1* U 13 H1* U 13 0.313 -6.802 -19.249 138 H3 U 13 H3 U 13 3.609 -3.715 -19.004 139 H5 U 13 H5 U 13 5.194 -6.697 -21.521 140 H6 U 13 H6 U 13 3.046 -7.812 -21.450 141 1H5* C 14 2H5* C 14 -3.270 -5.795 -21.252 142 2H5* C 14 1H5* C 14 -4.143 -4.908 -22.518 143 H4* C 14 H4* C 14 -3.551 -3.564 -20.429 144 H3* C 14 H3* C 14 -2.724 -2.748 -23.236 145 H2* C 14 H2* C 14 -1.716 -0.814 -22.364 146 2HO* C 14 HO2* C 14 -2.354 -0.562 -19.861 147 H1* C 14 H1* C 14 -0.932 -1.879 -19.871 148 1H4 C 14 1H4 C 14 4.298 -0.881 -23.380 149 2H4 C 14 2H4 C 14 3.994 -2.348 -24.281 150 H5 C 14 H5 C 14 2.019 -3.697 -23.980 151 H6 C 14 H6 C 14 -0.084 -3.929 -22.748 152 1H5* A 15 2H5* A 15 -4.900 1.214 -23.106 153 2H5* A 15 1H5* A 15 -4.698 1.325 -24.867 154 H4* A 15 H4* A 15 -3.062 2.514 -22.950 155 H3* A 15 H3* A 15 -2.847 1.940 -25.909 156 H2* A 15 H2* A 15 -0.549 2.425 -25.919 157 2HO* A 15 HO2* A 15 -0.120 3.406 -23.433 158 H1* A 15 H1* A 15 0.136 1.468 -23.417 159 H8 A 15 H8 A 15 -2.033 -0.979 -25.306 160 1H6 A 15 1H6 A 15 3.094 -2.936 -28.101 161 2H6 A 15 2H6 A 15 1.391 -3.247 -27.847 162 H2 A 15 H2 A 15 4.099 0.780 -25.783 163 1H5* G 16 2H5* G 16 0.240 4.883 -25.684 164 2H5* G 16 1H5* G 16 0.047 5.634 -27.280 165 H4* G 16 H4* G 16 1.993 3.866 -26.781 166 H3* G 16 H3* G 16 0.910 4.931 -29.131 167 H2* G 16 H2* G 16 -0.600 3.105 -29.511 168 2HO* G 16 HO2* G 16 0.302 1.960 -31.179 169 H1* G 16 H1* G 16 1.613 1.245 -28.579 170 H8 G 16 H8 G 16 0.651 -1.118 -28.832 171 H1 G 16 H1 G 16 -5.408 0.824 -28.500 172 1H2 G 16 1H2 G 16 -5.485 3.013 -28.161 173 2H2 G 16 2H2 G 16 -4.044 3.993 -28.018 174 1H5* A 17 2H5* A 17 2.174 6.772 -28.322 175 2H5* A 17 1H5* A 17 2.466 7.473 -29.928 176 H4* A 17 H4* A 17 4.514 8.548 -29.114 177 H3* A 17 H3* A 17 4.150 6.688 -26.862 178 H2* A 17 H2* A 17 3.962 8.203 -25.113 179 2HO* A 17 HO2* A 17 5.177 10.010 -25.007 180 H1* A 17 H1* A 17 2.933 10.443 -26.286 181 H8 A 17 H8 A 17 2.147 6.673 -26.016 182 1H6 A 17 1H6 A 17 -3.340 8.411 -23.830 183 2H6 A 17 2H6 A 17 -2.291 7.048 -24.156 184 H2 A 17 H2 A 17 -1.122 12.101 -25.121 185 1H5* A 18 2H5* A 18 9.160 8.412 -25.818 186 2H5* A 18 1H5* A 18 7.689 7.453 -26.080 187 H4* A 18 H4* A 18 8.072 9.605 -23.958 188 H3* A 18 H3* A 18 8.247 6.590 -23.944 189 H2* A 18 H2* A 18 6.991 6.435 -21.955 190 2HO* A 18 HO2* A 18 8.200 8.115 -20.875 191 H1* A 18 H1* A 18 5.162 8.421 -22.421 192 H8 A 18 H8 A 18 6.473 5.776 -24.949 193 1H6 A 18 1H6 A 18 1.088 2.926 -24.050 194 2H6 A 18 2H6 A 18 2.610 2.877 -24.911 195 H2 A 18 H2 A 18 1.165 6.604 -21.476 196 1H5* G 19 2H5* G 19 9.711 7.920 -19.980 197 2H5* G 19 1H5* G 19 10.610 6.585 -19.233 198 H4* G 19 H4* G 19 8.302 7.220 -18.228 199 H3* G 19 H3* G 19 9.283 4.442 -18.930 200 H2* G 19 H2* G 19 7.216 3.503 -18.283 201 2HO* G 19 HO2* G 19 7.034 5.867 -16.773 202 H1* G 19 H1* G 19 5.545 5.461 -19.255 203 H8 G 19 H8 G 19 8.381 4.644 -21.638 204 H1 G 19 H1 G 19 3.562 0.480 -21.957 205 1H2 G 19 1H2 G 19 2.118 0.868 -20.320 206 2H2 G 19 2H2 G 19 2.340 2.154 -19.154 207 1H5* A 20 2H5* A 20 7.129 5.680 -15.014 208 2H5* A 20 1H5* A 20 7.640 4.614 -13.690 209 H4* A 20 H4* A 20 5.122 5.045 -13.913 210 H3* A 20 H3* A 20 6.446 2.331 -13.719 211 H2* A 20 H2* A 20 4.337 1.250 -13.916 212 2HO* A 20 HO2* A 20 2.424 2.840 -14.071 213 H1* A 20 H1* A 20 3.341 2.723 -15.944 214 H8 A 20 H8 A 20 7.087 2.402 -16.395 215 1H6 A 20 1H6 A 20 6.009 -3.016 -19.118 216 2H6 A 20 2H6 A 20 7.219 -1.802 -18.772 217 H2 A 20 H2 A 20 2.166 -1.594 -17.281 218 1H5* A 21 2H5* A 21 2.780 2.404 -11.848 219 2H5* A 21 1H5* A 21 2.651 1.277 -10.484 220 H4* A 21 H4* A 21 1.192 0.825 -12.584 221 H3* A 21 H3* A 21 2.921 -1.180 -11.108 222 H2* A 21 H2* A 21 2.389 -2.841 -12.659 223 2HO* A 21 HO2* A 21 -0.005 -1.889 -12.392 224 H1* A 21 H1* A 21 1.928 -1.190 -14.908 225 H8 A 21 H8 A 21 5.358 -0.621 -13.592 226 1H6 A 21 1H6 A 21 7.142 -5.792 -16.428 227 2H6 A 21 2H6 A 21 7.683 -4.357 -15.590 228 H2 A 21 H2 A 21 2.653 -5.618 -16.541 229 1H5* C 22 2H5* C 22 -1.709 -2.259 -11.621 230 2H5* C 22 1H5* C 22 -2.057 -3.548 -10.451 231 H4* C 22 H4* C 22 -2.654 -3.968 -12.942 232 H3* C 22 H3* C 22 -1.172 -5.833 -11.074 233 H2* C 22 H2* C 22 -0.881 -7.411 -12.830 234 2HO* C 22 HO2* C 22 -2.011 -7.268 -14.770 235 H1* C 22 H1* C 22 -0.097 -5.708 -14.750 236 1H4 C 22 1H4 C 22 5.166 -7.479 -11.590 237 2H4 C 22 2H4 C 22 4.972 -6.112 -10.515 238 H5 C 22 H5 C 22 3.055 -4.655 -10.566 239 H6 C 22 H6 C 22 0.914 -4.183 -11.664 240 1H5* G 23 2H5* G 23 -3.684 -7.917 -14.076 241 2H5* G 23 1H5* G 23 -4.446 -9.283 -13.239 242 H4* G 23 H4* G 23 -3.021 -9.784 -15.351 243 H3* G 23 H3* G 23 -2.759 -11.206 -12.674 244 H2* G 23 H2* G 23 -1.128 -12.621 -13.647 245 2HO* G 23 HO2* G 23 -2.056 -11.619 -16.159 246 H1* G 23 H1* G 23 0.132 -10.704 -15.186 247 H8 G 23 H8 G 23 -0.415 -9.214 -11.818 248 H1 G 23 H1 G 23 4.417 -13.366 -11.857 249 1H2 G 23 1H2 G 23 4.382 -14.555 -13.727 250 2H2 G 23 2H2 G 23 3.169 -14.325 -14.965 251 1H5* U 24 2H5* U 24 -2.238 -14.275 -15.615 252 2H5* U 24 1H5* U 24 -3.363 -15.552 -15.111 253 H4* U 24 H4* U 24 -0.983 -16.334 -15.292 254 H3* U 24 H3* U 24 -2.655 -16.517 -12.810 255 H2* U 24 H2* U 24 -0.867 -16.761 -11.397 256 2HO* U 24 HO2* U 24 0.945 -18.173 -12.188 257 H1* U 24 H1* U 24 1.273 -16.303 -13.364 258 H3 U 24 H3 U 24 3.218 -14.956 -9.519 259 H5 U 24 H5 U 24 -0.120 -12.416 -9.913 260 H6 U 24 H6 U 24 -0.803 -13.715 -11.841 261 1H5* G 25 2H5* G 25 0.145 -20.236 -13.584 262 2H5* G 25 1H5* G 25 -0.992 -21.583 -13.381 263 H4* G 25 H4* G 25 0.888 -22.320 -12.191 264 H3* G 25 H3* G 25 -1.004 -20.907 -10.267 265 H2* G 25 H2* G 25 0.501 -21.504 -8.517 266 2HO* G 25 HO2* G 25 1.362 -23.403 -10.404 267 H1* G 25 H1* G 25 2.815 -20.945 -9.880 268 H8 G 25 H8 G 25 -0.075 -18.475 -10.367 269 H1 G 25 H1 G 25 3.726 -17.113 -5.439 270 1H2 G 25 1H2 G 25 5.152 -18.775 -5.100 271 2H2 G 25 2H2 G 25 5.169 -20.217 -6.089 272 1H5* G 26 2H5* G 26 -0.310 -24.962 -8.255 273 2H5* G 26 1H5* G 26 -1.826 -25.158 -7.355 274 H4* G 26 H4* G 26 0.346 -25.024 -5.974 275 H3* G 26 H3* G 26 -2.117 -23.306 -5.507 276 H2* G 26 H2* G 26 -1.028 -22.203 -3.766 277 2HO* G 26 HO2* G 26 0.037 -23.338 -2.340 278 H1* G 26 H1* G 26 1.635 -22.512 -4.694 279 H8 G 26 H8 G 26 -0.776 -20.753 -7.024 280 H1 G 26 H1 G 26 1.634 -16.907 -2.556 281 1H2 G 26 1H2 G 26 2.757 -18.094 -1.054 282 2H2 G 26 2H2 G 26 2.910 -19.833 -1.157 283 1H5* U 27 2H5* U 27 0.119 -25.225 -1.716 284 2H5* U 27 1H5* U 27 -1.303 -25.884 -0.886 285 H4* U 27 H4* U 27 0.160 -24.795 0.738 286 H3* U 27 H3* U 27 -2.496 -23.469 0.115 287 H2* U 27 H2* U 27 -2.003 -21.746 1.675 288 2HO* U 27 HO2* U 27 0.278 -23.263 2.495 289 H1* U 27 H1* U 27 0.587 -21.337 0.979 290 H3 U 27 H3 U 27 -1.431 -17.749 -0.858 291 H5 U 27 H5 U 27 -2.786 -20.962 -3.218 292 H6 U 27 H6 U 27 -1.660 -22.475 -1.693 293 1H5* A 28 2H5* A 28 -1.289 -22.536 4.158 294 2H5* A 28 1H5* A 28 -2.623 -23.154 5.148 295 H4* A 28 H4* A 28 -2.057 -20.779 5.667 296 H3* A 28 H3* A 28 -4.732 -21.769 4.832 297 H2* A 28 H2* A 28 -5.497 -19.791 3.965 298 2HO* A 28 HO2* A 28 -4.329 -17.948 5.577 299 H1* A 28 H1* A 28 -3.073 -18.188 4.191 300 H8 A 28 H8 A 28 -3.899 -20.746 1.454 301 1H6 A 28 1H6 A 28 -5.632 -15.914 -1.963 302 2H6 A 28 2H6 A 28 -5.369 -17.644 -1.957 303 H2 A 28 H2 A 28 -4.647 -14.430 2.163 304 1H5* U 29 2H5* U 29 -4.317 -18.426 8.205 305 2H5* U 29 1H5* U 29 -5.584 -18.772 9.399 306 H4* U 29 H4* U 29 -5.454 -16.366 9.079 307 H3* U 29 H3* U 29 -7.877 -17.762 7.891 308 H2* U 29 H2* U 29 -8.710 -15.656 7.182 309 2HO* U 29 HO2* U 29 -7.193 -13.764 7.966 310 H1* U 29 H1* U 29 -6.325 -14.577 6.354 311 H3 U 29 H3 U 29 -8.558 -15.170 2.483 312 H5 U 29 H5 U 29 -7.518 -19.083 3.655 313 H6 U 29 H6 U 29 -6.702 -18.173 5.752 314 1H5* C 30 2H5* C 30 -9.037 -14.179 9.164 315 2H5* C 30 1H5* C 30 -10.550 -14.242 10.090 316 H4* C 30 H4* C 30 -10.815 -12.791 8.124 317 H3* C 30 H3* C 30 -12.309 -15.440 8.134 318 H2* C 30 H2* C 30 -13.218 -14.908 6.052 319 2HO* C 30 HO2* C 30 -13.802 -12.909 5.515 320 H1* C 30 H1* C 30 -11.114 -13.254 5.124 321 1H4 C 30 1H4 C 30 -11.282 -18.310 1.284 322 2H4 C 30 2H4 C 30 -10.662 -19.340 2.554 323 H5 C 30 H5 C 30 -10.274 -18.570 4.807 324 H6 C 30 H6 C 30 -10.393 -16.647 6.320 325 1H5* U 31 2H5* U 31 -14.860 -12.004 6.603 326 2H5* U 31 1H5* U 31 -16.490 -12.409 7.172 327 H4* U 31 H4* U 31 -16.250 -12.114 4.652 328 H3* U 31 H3* U 31 -17.380 -14.591 5.979 329 H2* U 31 H2* U 31 -17.450 -15.718 3.956 330 2HO* U 31 HO2* U 31 -17.990 -14.633 2.019 331 H1* U 31 H1* U 31 -15.668 -13.962 2.478 332 H3 U 31 H3 U 31 -14.457 -17.995 0.878 333 H5 U 31 H5 U 31 -13.713 -18.306 5.007 334 H6 U 31 H6 U 31 -14.718 -16.118 5.284 335 1H5* C 32 2H5* C 32 -19.586 -12.915 2.394 336 2H5* C 32 1H5* C 32 -21.310 -12.879 2.815 337 H4* C 32 H4* C 32 -21.121 -13.772 0.577 338 H3* C 32 H3* C 32 -21.669 -15.824 2.741 339 H2* C 32 H2* C 32 -21.748 -17.510 1.145 340 2HO* C 32 HO2* C 32 -21.939 -15.614 -0.969 341 H1* C 32 H1* C 32 -19.902 -16.354 -0.669 342 1H4 C 32 1H4 C 32 -16.950 -21.427 1.748 343 2H4 C 32 2H4 C 32 -16.853 -20.668 3.322 344 H5 C 32 H5 C 32 -17.838 -18.528 3.820 345 H6 C 32 H6 C 32 -19.130 -16.654 2.917 346 H3T C 32 H3T C 32 -23.709 -15.360 2.222 347 1H GLY 364 1HT GLY 364 -7.846 11.178 -13.904 348 2H GLY 364 2HT GLY 364 -7.624 11.563 -15.535 349 3H GLY 364 3HT GLY 364 -7.283 10.003 -14.982 350 1HA GLY 364 1HA GLY 364 -9.988 10.966 -14.520 351 2HA GLY 364 2HA GLY 364 -9.553 10.645 -16.191 352 H SER 365 H SER 365 -8.865 9.067 -13.066 353 HA SER 365 HA SER 365 -8.963 6.882 -12.429 354 1HB SER 365 2HB SER 365 -11.139 5.991 -14.099 355 2HB SER 365 1HB SER 365 -11.121 6.281 -12.359 356 HG SER 365 HG SER 365 -12.389 7.676 -14.149 357 H LEU 366 H LEU 366 -7.449 7.614 -14.911 358 HA LEU 366 HA LEU 366 -7.399 4.947 -16.160 359 1HB LEU 366 2HB LEU 366 -7.895 7.305 -17.426 360 2HB LEU 366 1HB LEU 366 -6.160 7.161 -17.634 361 HG LEU 366 HG LEU 366 -7.154 4.638 -18.285 362 1HD1 LEU 366 1HD1 LEU 366 -9.408 5.659 -18.372 363 2HD1 LEU 366 2HD1 LEU 366 -8.867 5.036 -19.931 364 3HD1 LEU 366 3HD1 LEU 366 -8.823 6.771 -19.611 365 1HD2 LEU 366 1HD2 LEU 366 -5.410 6.430 -19.302 366 2HD2 LEU 366 2HD2 LEU 366 -6.708 6.530 -20.492 367 3HD2 LEU 366 3HD2 LEU 366 -5.942 4.978 -20.149 368 H ASP 367 H ASP 367 -5.724 3.808 -15.499 369 HA ASP 367 HA ASP 367 -3.518 4.788 -14.116 370 1HB ASP 367 2HB ASP 367 -4.460 2.316 -14.599 371 2HB ASP 367 1HB ASP 367 -3.122 2.335 -15.745 372 H MET 368 H MET 368 -3.393 3.406 -17.381 373 HA MET 368 HA MET 368 -0.957 4.039 -18.236 374 1HB MET 368 2HB MET 368 -2.668 3.062 -19.702 375 2HB MET 368 1HB MET 368 -3.458 4.627 -19.831 376 1HG MET 368 2HG MET 368 -0.821 5.104 -20.565 377 2HG MET 368 1HG MET 368 -1.230 3.560 -21.311 378 1HE MET 368 1HE MET 368 -2.336 7.114 -20.621 379 2HE MET 368 2HE MET 368 -4.002 6.549 -20.765 380 3HE MET 368 3HE MET 368 -3.310 7.586 -22.014 381 H ASN 369 H ASN 369 -3.628 6.411 -18.302 382 HA ASN 369 HA ASN 369 -2.089 8.585 -19.185 383 1HB ASN 369 2HB ASN 369 -4.673 8.361 -17.670 384 2HB ASN 369 1HB ASN 369 -3.933 9.936 -17.933 385 1HD2 ASN 369 1HD2 ASN 369 -6.404 8.501 -18.967 386 2HD2 ASN 369 2HD2 ASN 369 -6.331 8.739 -20.676 387 H ALA 370 H ALA 370 -2.832 7.421 -15.930 388 HA ALA 370 HA ALA 370 -1.615 9.506 -14.501 389 1HB ALA 370 1HB ALA 370 -1.303 7.056 -13.073 390 2HB ALA 370 2HB ALA 370 -2.875 7.061 -13.874 391 3HB ALA 370 3HB ALA 370 -2.438 8.375 -12.782 392 H LYS 371 H LYS 371 -0.274 6.214 -14.505 393 HA LYS 371 HA LYS 371 2.231 6.607 -13.749 394 1HB LYS 371 2HB LYS 371 2.914 4.926 -15.667 395 2HB LYS 371 1HB LYS 371 1.908 4.411 -14.321 396 1HG LYS 371 2HG LYS 371 0.037 5.266 -16.103 397 2HG LYS 371 1HG LYS 371 1.284 4.620 -17.170 398 1HD LYS 371 2HD LYS 371 1.068 2.752 -15.115 399 2HD LYS 371 1HD LYS 371 -0.596 3.224 -15.471 400 1HE LYS 371 2HE LYS 371 0.629 2.906 -17.963 401 2HE LYS 371 1HE LYS 371 1.207 1.555 -16.989 402 1HZ LYS 371 1HZ LYS 371 -1.615 2.284 -17.536 403 2HZ LYS 371 2HZ LYS 371 -1.148 1.100 -16.422 404 3HZ LYS 371 3HZ LYS 371 -0.792 0.902 -18.064 405 H ARG 372 H ARG 372 1.108 7.309 -17.035 406 HA ARG 372 HA ARG 372 3.561 8.118 -18.108 407 1HB ARG 372 2HB ARG 372 1.166 7.783 -19.188 408 2HB ARG 372 1HB ARG 372 1.053 9.520 -18.927 409 1HG ARG 372 2HG ARG 372 3.462 8.409 -20.287 410 2HG ARG 372 1HG ARG 372 1.949 8.563 -21.186 411 1HD ARG 372 2HD ARG 372 2.478 10.958 -19.681 412 2HD ARG 372 1HD ARG 372 3.862 10.553 -20.696 413 HE ARG 372 HE ARG 372 1.894 10.329 -22.455 414 1HH1 ARG 372 1HH1 ARG 372 2.457 12.779 -20.043 415 2HH1 ARG 372 2HH1 ARG 372 1.710 14.042 -20.964 416 1HH2 ARG 372 1HH2 ARG 372 0.911 11.985 -23.678 417 2HH2 ARG 372 2HH2 ARG 372 0.833 13.590 -23.033 418 H GLN 373 H GLN 373 0.943 10.191 -16.832 419 HA GLN 373 HA GLN 373 2.193 12.616 -16.958 420 1HB GLN 373 2HB GLN 373 -0.149 11.753 -15.891 421 2HB GLN 373 1HB GLN 373 0.732 12.163 -14.424 422 1HG GLN 373 2HG GLN 373 0.253 13.998 -16.766 423 2HG GLN 373 1HG GLN 373 -0.616 14.031 -15.237 424 1HE2 GLN 373 1HE2 GLN 373 1.860 13.421 -13.729 425 2HE2 GLN 373 2HE2 GLN 373 2.750 14.899 -13.695 426 H LEU 374 H LEU 374 2.237 10.441 -14.176 427 HA LEU 374 HA LEU 374 3.831 11.770 -12.439 428 1HB LEU 374 2HB LEU 374 4.188 8.828 -12.855 429 2HB LEU 374 1HB LEU 374 4.213 9.738 -11.355 430 HG LEU 374 HG LEU 374 1.883 8.771 -12.943 431 1HD1 LEU 374 1HD1 LEU 374 2.282 7.403 -11.133 432 2HD1 LEU 374 2HD1 LEU 374 1.093 8.528 -10.476 433 3HD1 LEU 374 3HD1 LEU 374 2.804 8.736 -10.104 434 1HD2 LEU 374 1HD2 LEU 374 2.112 11.437 -11.818 435 2HD2 LEU 374 2HD2 LEU 374 0.797 10.514 -11.085 436 3HD2 LEU 374 3HD2 LEU 374 0.846 10.739 -12.833 437 H TYR 375 H TYR 375 5.260 9.155 -14.426 438 HA TYR 375 HA TYR 375 7.860 10.353 -13.964 439 1HB TYR 375 2HB TYR 375 6.871 7.711 -14.868 440 2HB TYR 375 1HB TYR 375 8.473 8.199 -15.418 441 HD1 TYR 375 HD1 TYR 375 9.759 6.622 -14.185 442 HD2 TYR 375 HD2 TYR 375 6.974 9.133 -12.178 443 HE1 TYR 375 HE1 TYR 375 10.714 5.941 -12.023 444 HE2 TYR 375 HE2 TYR 375 7.920 8.460 -10.009 445 HH TYR 375 HH TYR 375 9.585 5.909 -9.441 446 H SER 376 H SER 376 5.892 9.524 -16.846 447 HA SER 376 HA SER 376 7.855 10.384 -18.679 448 1HB SER 376 2HB SER 376 4.863 10.125 -19.025 449 2HB SER 376 1HB SER 376 6.026 10.313 -20.335 450 HG SER 376 HG SER 376 5.745 8.145 -18.541 451 H LEU 377 H LEU 377 5.610 12.145 -16.727 452 HA LEU 377 HA LEU 377 6.075 14.529 -18.364 453 1HB LEU 377 2HB LEU 377 3.718 13.469 -17.360 454 2HB LEU 377 1HB LEU 377 4.075 14.810 -16.288 455 HG LEU 377 HG LEU 377 4.054 16.358 -18.074 456 1HD1 LEU 377 1HD1 LEU 377 3.297 14.857 -20.338 457 2HD1 LEU 377 2HD1 LEU 377 4.733 14.095 -19.653 458 3HD1 LEU 377 3HD1 LEU 377 4.765 15.802 -20.094 459 1HD2 LEU 377 1HD2 LEU 377 1.806 14.515 -17.744 460 2HD2 LEU 377 2HD2 LEU 377 1.762 15.459 -19.233 461 3HD2 LEU 377 3HD2 LEU 377 1.848 16.276 -17.673 462 H ILE 378 H ILE 378 6.136 13.237 -15.053 463 HA ILE 378 HA ILE 378 7.852 15.497 -14.318 464 HB ILE 378 HB ILE 378 6.143 14.146 -12.259 465 1HG1 ILE 378 2HG1 ILE 378 4.679 14.799 -14.219 466 2HG1 ILE 378 1HG1 ILE 378 4.266 15.559 -12.686 467 1HG2 ILE 378 1HG2 ILE 378 6.564 17.069 -12.305 468 2HG2 ILE 378 2HG2 ILE 378 8.018 16.091 -12.105 469 3HG2 ILE 378 3HG2 ILE 378 6.681 15.927 -10.967 470 1HD1 ILE 378 1HD1 ILE 378 5.088 17.630 -13.357 471 2HD1 ILE 378 2HD1 ILE 378 4.263 17.008 -14.786 472 3HD1 ILE 378 3HD1 ILE 378 6.022 16.933 -14.680 473 H GLY 379 H GLY 379 8.211 14.237 -11.635 474 1HA GLY 379 2HA GLY 379 9.900 12.954 -10.736 475 2HA GLY 379 1HA GLY 379 9.009 11.664 -11.529 476 H TYR 380 H TYR 380 11.345 14.229 -12.375 477 HA TYR 380 HA TYR 380 12.418 12.620 -14.510 478 1HB TYR 380 2HB TYR 380 14.130 14.572 -14.587 479 2HB TYR 380 1HB TYR 380 12.469 14.871 -15.076 480 HD1 TYR 380 HD1 TYR 380 15.101 15.722 -12.752 481 HD2 TYR 380 HD2 TYR 380 10.928 16.071 -13.508 482 HE1 TYR 380 HE1 TYR 380 14.972 17.582 -11.150 483 HE2 TYR 380 HE2 TYR 380 10.788 17.928 -11.905 484 HH TYR 380 HH TYR 380 12.505 19.702 -10.987 485 H ALA 381 H ALA 381 13.943 14.092 -11.617 486 HA ALA 381 HA ALA 381 15.071 11.948 -10.463 487 1HB ALA 381 1HB ALA 381 16.366 10.960 -11.981 488 2HB ALA 381 2HB ALA 381 17.477 12.309 -11.742 489 3HB ALA 381 3HB ALA 381 16.308 12.351 -13.062 490 H SER 382 H SER 382 14.588 13.860 -9.055 491 HA SER 382 HA SER 382 16.646 14.743 -7.617 492 1HB SER 382 2HB SER 382 17.855 15.762 -9.344 493 2HB SER 382 1HB SER 382 16.412 16.487 -10.053 494 HG SER 382 HG SER 382 17.755 17.976 -8.867 495 H LEU 383 H LEU 383 13.578 14.593 -7.830 496 HA LEU 383 HA LEU 383 13.038 17.125 -6.432 497 1HB LEU 383 2HB LEU 383 10.656 16.775 -7.087 498 2HB LEU 383 1HB LEU 383 11.743 17.085 -8.427 499 HG LEU 383 HG LEU 383 11.040 14.266 -7.693 500 1HD1 LEU 383 1HD1 LEU 383 8.891 15.291 -7.880 501 2HD1 LEU 383 2HD1 LEU 383 9.205 14.413 -9.378 502 3HD1 LEU 383 3HD1 LEU 383 9.376 16.168 -9.331 503 1HD2 LEU 383 1HD2 LEU 383 12.355 13.872 -9.435 504 2HD2 LEU 383 2HD2 LEU 383 12.527 15.599 -9.748 505 3HD2 LEU 383 3HD2 LEU 383 11.188 14.703 -10.463 506 H ARG 384 H ARG 384 12.861 13.676 -6.348 507 HA ARG 384 HA ARG 384 12.643 12.271 -4.558 508 1HB ARG 384 2HB ARG 384 13.511 14.174 -3.169 509 2HB ARG 384 1HB ARG 384 11.843 14.667 -2.907 510 1HG ARG 384 2HG ARG 384 12.231 13.438 -1.021 511 2HG ARG 384 1HG ARG 384 11.552 12.203 -2.086 512 1HD ARG 384 2HD ARG 384 13.383 11.048 -1.439 513 2HD ARG 384 1HD ARG 384 14.149 11.978 -2.728 514 HE ARG 384 HE ARG 384 14.276 13.432 -0.323 515 1HH1 ARG 384 1HH1 ARG 384 15.623 10.600 -1.836 516 2HH1 ARG 384 2HH1 ARG 384 17.115 10.682 -0.959 517 1HH2 ARG 384 1HH2 ARG 384 16.235 13.551 0.837 518 2HH2 ARG 384 2HH2 ARG 384 17.462 12.361 0.562 519 H LEU 385 H LEU 385 10.656 12.400 -6.374 520 HA LEU 385 HA LEU 385 8.109 12.751 -5.044 521 1HB LEU 385 2HB LEU 385 8.611 13.242 -7.513 522 2HB LEU 385 1HB LEU 385 8.554 11.505 -7.744 523 HG LEU 385 HG LEU 385 6.270 13.124 -6.620 524 1HD1 LEU 385 1HD1 LEU 385 6.555 13.870 -8.849 525 2HD1 LEU 385 2HD1 LEU 385 5.243 12.693 -8.876 526 3HD1 LEU 385 3HD1 LEU 385 6.852 12.233 -9.432 527 1HD2 LEU 385 1HD2 LEU 385 6.771 10.267 -7.082 528 2HD2 LEU 385 2HD2 LEU 385 5.217 10.860 -7.669 529 3HD2 LEU 385 3HD2 LEU 385 5.654 11.063 -5.972 530 H HIS 386 H HIS 386 6.905 11.167 -4.124 531 HA HIS 386 HA HIS 386 7.278 8.417 -4.840 532 1HB HIS 386 2HB HIS 386 8.200 7.592 -2.763 533 2HB HIS 386 1HB HIS 386 9.290 8.778 -3.470 534 HD1 HIS 386 HD1 HIS 386 9.978 10.676 -2.005 535 HD2 HIS 386 HD2 HIS 386 6.656 8.663 -0.527 536 HE1 HIS 386 HE1 HIS 386 9.552 11.660 0.269 537 HE2 HIS 386 HE2 HIS 386 7.552 10.411 1.156 538 H TYR 387 H TYR 387 5.827 7.014 -4.028 539 HA TYR 387 HA TYR 387 3.524 8.201 -2.649 540 1HB TYR 387 2HB TYR 387 3.812 5.745 -4.385 541 2HB TYR 387 1HB TYR 387 2.352 6.113 -3.473 542 HD1 TYR 387 HD1 TYR 387 0.661 7.071 -4.666 543 HD2 TYR 387 HD2 TYR 387 4.673 7.908 -5.785 544 HE1 TYR 387 HE1 TYR 387 -0.154 8.455 -6.513 545 HE2 TYR 387 HE2 TYR 387 3.877 9.299 -7.638 546 HH TYR 387 HH TYR 387 2.080 9.913 -8.843 547 H VAL 388 H VAL 388 2.661 7.231 -0.828 548 HA VAL 388 HA VAL 388 4.247 5.042 0.327 549 HB VAL 388 HB VAL 388 3.192 6.297 2.525 550 1HG1 VAL 388 1HG1 VAL 388 5.533 5.363 1.841 551 2HG1 VAL 388 2HG1 VAL 388 5.400 6.561 3.131 552 3HG1 VAL 388 3HG1 VAL 388 5.896 7.058 1.510 553 1HG2 VAL 388 1HG2 VAL 388 4.342 8.501 0.837 554 2HG2 VAL 388 2HG2 VAL 388 3.494 8.620 2.378 555 3HG2 VAL 388 3HG2 VAL 388 2.606 8.198 0.914 556 H THR 389 H THR 389 3.149 3.305 0.798 557 HA THR 389 HA THR 389 0.269 3.311 0.537 558 HB THR 389 HB THR 389 2.316 1.143 0.879 559 HG1 THR 389 HG1 THR 389 1.981 0.915 -1.197 560 1HG2 THR 389 1HG2 THR 389 0.546 -0.522 0.882 561 2HG2 THR 389 2HG2 THR 389 -0.677 0.748 0.870 562 3HG2 THR 389 3HG2 THR 389 0.368 0.547 2.275 563 H VAL 390 H VAL 390 -1.133 3.419 2.140 564 HA VAL 390 HA VAL 390 -0.285 2.655 4.843 565 HB VAL 390 HB VAL 390 -1.510 4.589 5.775 566 1HG1 VAL 390 1HG1 VAL 390 0.299 5.968 5.668 567 2HG1 VAL 390 2HG1 VAL 390 0.448 5.818 3.915 568 3HG1 VAL 390 3HG1 VAL 390 1.018 4.519 4.963 569 1HG2 VAL 390 1HG2 VAL 390 -2.984 5.591 4.433 570 2HG2 VAL 390 2HG2 VAL 390 -2.229 4.931 2.982 571 3HG2 VAL 390 3HG2 VAL 390 -1.603 6.412 3.705 572 H LYS 391 H LYS 391 -2.023 2.096 6.259 573 HA LYS 391 HA LYS 391 -4.144 1.400 6.824 574 1HB LYS 391 2HB LYS 391 -4.981 3.012 5.061 575 2HB LYS 391 1HB LYS 391 -4.923 1.671 3.926 576 1HG LYS 391 2HG LYS 391 -7.164 2.183 5.002 577 2HG LYS 391 1HG LYS 391 -6.620 0.504 5.025 578 1HD LYS 391 2HD LYS 391 -6.324 0.487 7.276 579 2HD LYS 391 1HD LYS 391 -5.858 2.188 7.337 580 1HE LYS 391 2HE LYS 391 -7.940 2.099 8.413 581 2HE LYS 391 1HE LYS 391 -8.294 2.703 6.795 582 1HZ LYS 391 1HZ LYS 391 -8.984 0.492 6.144 583 2HZ LYS 391 2HZ LYS 391 -9.867 0.995 7.497 584 3HZ LYS 391 3HZ LYS 391 -8.604 -0.117 7.677 585 H LYS 392 H LYS 392 -2.280 -0.379 6.722 586 HA LYS 392 HA LYS 392 -1.957 -2.355 4.970 587 1HB LYS 392 2HB LYS 392 -2.685 -3.117 7.788 588 2HB LYS 392 1HB LYS 392 -1.492 -3.855 6.727 589 1HG LYS 392 2HG LYS 392 -0.646 -1.223 7.005 590 2HG LYS 392 1HG LYS 392 -1.194 -1.694 8.615 591 1HD LYS 392 2HD LYS 392 0.925 -2.486 8.761 592 2HD LYS 392 1HD LYS 392 0.203 -3.888 7.966 593 1HE LYS 392 2HE LYS 392 1.356 -3.547 6.075 594 2HE LYS 392 1HE LYS 392 1.063 -1.809 6.106 595 1HZ LYS 392 1HZ LYS 392 3.275 -3.341 7.275 596 2HZ LYS 392 2HZ LYS 392 2.803 -1.901 8.027 597 3HZ LYS 392 3HZ LYS 392 3.310 -1.885 6.415 598 HA PRO 393 HA PRO 393 -6.062 -3.644 3.855 599 1HB PRO 393 2HB PRO 393 -4.729 -5.894 2.546 600 2HB PRO 393 1HB PRO 393 -5.719 -4.618 1.844 601 1HG PRO 393 2HG PRO 393 -3.034 -4.750 1.488 602 2HG PRO 393 1HG PRO 393 -3.932 -3.224 1.508 603 1HD PRO 393 2HD PRO 393 -2.209 -4.438 3.610 604 2HD PRO 393 1HD PRO 393 -2.468 -2.730 3.204 605 H THR 394 H THR 394 -7.416 -5.474 4.081 606 HA THR 394 HA THR 394 -6.459 -7.525 5.972 607 HB THR 394 HB THR 394 -8.208 -7.253 7.476 608 HG1 THR 394 HG1 THR 394 -9.630 -5.410 5.888 609 1HG2 THR 394 1HG2 THR 394 -7.960 -4.392 6.611 610 2HG2 THR 394 2HG2 THR 394 -6.589 -5.257 7.306 611 3HG2 THR 394 3HG2 THR 394 -8.070 -5.054 8.243 612 H ALA 395 H ALA 395 -8.131 -9.304 6.266 613 HA ALA 395 HA ALA 395 -9.013 -10.132 3.608 614 1HB ALA 395 1HB ALA 395 -8.411 -12.163 4.221 615 2HB ALA 395 2HB ALA 395 -9.493 -12.116 5.613 616 3HB ALA 395 3HB ALA 395 -7.844 -11.502 5.755 617 H VAL 396 H VAL 396 -10.369 -8.207 5.539 618 HA VAL 396 HA VAL 396 -13.046 -9.333 5.202 619 HB VAL 396 HB VAL 396 -13.764 -8.357 7.366 620 1HG1 VAL 396 1HG1 VAL 396 -13.459 -10.361 8.279 621 2HG1 VAL 396 2HG1 VAL 396 -11.724 -10.085 8.439 622 3HG1 VAL 396 3HG1 VAL 396 -12.379 -10.744 6.938 623 1HG2 VAL 396 1HG2 VAL 396 -12.435 -6.818 8.277 624 2HG2 VAL 396 2HG2 VAL 396 -11.045 -7.348 7.328 625 3HG2 VAL 396 3HG2 VAL 396 -11.438 -8.160 8.844 626 H ASP 397 H ASP 397 -11.048 -7.210 4.164 627 HA ASP 397 HA ASP 397 -12.688 -5.454 2.931 628 1HB ASP 397 2HB ASP 397 -12.498 -4.818 5.763 629 2HB ASP 397 1HB ASP 397 -11.907 -3.492 4.768 630 HA PRO 398 HA PRO 398 -8.009 -5.799 2.165 631 1HB PRO 398 2HB PRO 398 -8.871 -5.202 -0.531 632 2HB PRO 398 1HB PRO 398 -8.110 -6.667 0.087 633 1HG PRO 398 2HG PRO 398 -10.949 -6.109 -0.408 634 2HG PRO 398 1HG PRO 398 -10.118 -7.665 -0.253 635 1HD PRO 398 2HD PRO 398 -11.804 -6.737 1.641 636 2HD PRO 398 1HD PRO 398 -10.376 -7.714 2.046 637 H ASN 399 H ASN 399 -10.517 -3.514 1.371 638 HA ASN 399 HA ASN 399 -9.654 -1.381 0.227 639 1HB ASN 399 2HB ASN 399 -10.803 -1.354 3.015 640 2HB ASN 399 1HB ASN 399 -10.642 0.085 2.014 641 1HD2 ASN 399 1HD2 ASN 399 -12.282 0.589 0.757 642 2HD2 ASN 399 2HD2 ASN 399 -13.572 -0.466 0.300 643 H SER 400 H SER 400 -7.887 -0.231 0.048 644 HA SER 400 HA SER 400 -6.315 0.443 2.412 645 1HB SER 400 2HB SER 400 -5.024 -1.399 1.727 646 2HB SER 400 1HB SER 400 -5.285 -1.063 0.015 647 HG SER 400 HG SER 400 -3.482 -0.007 0.095 648 H ILE 401 H ILE 401 -4.943 2.318 2.077 649 HA ILE 401 HA ILE 401 -5.755 3.869 -0.291 650 HB ILE 401 HB ILE 401 -6.713 4.662 1.915 651 1HG1 ILE 401 2HG1 ILE 401 -4.934 6.673 0.532 652 2HG1 ILE 401 1HG1 ILE 401 -6.409 6.041 -0.190 653 1HG2 ILE 401 1HG2 ILE 401 -5.417 5.471 3.592 654 2HG2 ILE 401 2HG2 ILE 401 -4.124 5.970 2.500 655 3HG2 ILE 401 3HG2 ILE 401 -4.298 4.272 2.945 656 1HD1 ILE 401 1HD1 ILE 401 -6.193 7.626 2.357 657 2HD1 ILE 401 2HD1 ILE 401 -7.683 6.926 1.722 658 3HD1 ILE 401 3HD1 ILE 401 -6.840 8.180 0.813 659 H VAL 402 H VAL 402 -4.274 5.509 -0.981 660 HA VAL 402 HA VAL 402 -1.460 4.836 -0.415 661 HB VAL 402 HB VAL 402 -2.004 6.090 -3.020 662 1HG1 VAL 402 1HG1 VAL 402 -0.361 4.555 -3.793 663 2HG1 VAL 402 2HG1 VAL 402 -0.541 3.543 -2.360 664 3HG1 VAL 402 3HG1 VAL 402 0.174 5.149 -2.220 665 1HG2 VAL 402 1HG2 VAL 402 -3.251 3.462 -2.296 666 2HG2 VAL 402 2HG2 VAL 402 -2.698 3.771 -3.944 667 3HG2 VAL 402 3HG2 VAL 402 -3.929 4.805 -3.216 668 H GLU 403 H GLU 403 0.048 6.584 -0.526 669 HA GLU 403 HA GLU 403 -1.205 9.242 -0.329 670 1HB GLU 403 2HB GLU 403 0.804 7.892 1.418 671 2HB GLU 403 1HB GLU 403 0.947 9.627 1.175 672 1HG GLU 403 2HG GLU 403 -1.244 9.999 2.063 673 2HG GLU 403 1HG GLU 403 -1.554 8.265 2.141 674 H CYS 404 H CYS 404 -0.474 10.662 -1.753 675 HA CYS 404 HA CYS 404 2.073 10.074 -3.113 676 1HB CYS 404 2HB CYS 404 0.053 10.062 -4.570 677 2HB CYS 404 1HB CYS 404 -0.246 11.738 -4.124 678 HG CYS 404 HG CYS 404 1.363 12.455 -5.818 679 H ARG 405 H ARG 405 3.676 11.295 -2.309 680 HA ARG 405 HA ARG 405 3.189 14.153 -2.034 681 1HB ARG 405 2HB ARG 405 4.088 14.290 0.197 682 2HB ARG 405 1HB ARG 405 2.749 13.150 0.194 683 1HG ARG 405 2HG ARG 405 4.336 11.290 0.130 684 2HG ARG 405 1HG ARG 405 5.676 12.439 0.149 685 1HD ARG 405 2HD ARG 405 5.239 11.523 2.377 686 2HD ARG 405 1HD ARG 405 4.963 13.263 2.323 687 HE ARG 405 HE ARG 405 2.526 12.011 1.833 688 1HH1 ARG 405 1HH1 ARG 405 4.846 12.302 4.410 689 2HH1 ARG 405 2HH1 ARG 405 3.671 12.104 5.667 690 1HH2 ARG 405 1HH2 ARG 405 0.966 11.750 3.480 691 2HH2 ARG 405 2HH2 ARG 405 1.465 11.789 5.137 692 H VAL 406 H VAL 406 5.435 15.091 -1.072 693 HA VAL 406 HA VAL 406 7.694 13.825 -2.405 694 HB VAL 406 HB VAL 406 8.085 16.413 -3.186 695 1HG1 VAL 406 1HG1 VAL 406 6.816 14.120 -4.667 696 2HG1 VAL 406 2HG1 VAL 406 8.536 14.494 -4.543 697 3HG1 VAL 406 3HG1 VAL 406 7.463 15.567 -5.444 698 1HG2 VAL 406 1HG2 VAL 406 5.289 15.918 -4.054 699 2HG2 VAL 406 2HG2 VAL 406 6.163 17.442 -3.867 700 3HG2 VAL 406 3HG2 VAL 406 5.555 16.591 -2.446 701 H GLY 407 H GLY 407 9.662 14.393 -1.600 702 1HA GLY 407 2HA GLY 407 11.189 15.201 -0.067 703 2HA GLY 407 1HA GLY 407 10.118 16.580 0.164 704 H ASP 408 H ASP 408 8.392 13.768 0.592 705 HA ASP 408 HA ASP 408 7.676 12.552 2.377 706 1HB ASP 408 2HB ASP 408 10.040 12.265 2.993 707 2HB ASP 408 1HB ASP 408 9.994 13.789 3.871 708 H GLY 409 H GLY 409 6.543 15.058 1.763 709 1HA GLY 409 2HA GLY 409 5.168 15.553 4.224 710 2HA GLY 409 1HA GLY 409 6.235 16.881 3.796 711 H THR 410 H THR 410 5.961 17.115 1.118 712 HA THR 410 HA THR 410 3.395 18.349 0.896 713 HB THR 410 HB THR 410 5.633 17.943 -1.088 714 HG1 THR 410 HG1 THR 410 5.832 20.210 -0.819 715 1HG2 THR 410 1HG2 THR 410 3.988 19.916 -2.109 716 2HG2 THR 410 2HG2 THR 410 2.863 18.663 -1.582 717 3HG2 THR 410 3HG2 THR 410 4.150 18.270 -2.723 718 H VAL 411 H VAL 411 1.752 16.824 0.978 719 HA VAL 411 HA VAL 411 1.807 14.491 -0.724 720 HB VAL 411 HB VAL 411 -0.371 15.603 1.050 721 1HG1 VAL 411 1HG1 VAL 411 -1.253 13.220 0.825 722 2HG1 VAL 411 2HG1 VAL 411 -0.195 13.087 -0.580 723 3HG1 VAL 411 3HG1 VAL 411 -1.478 14.297 -0.554 724 1HG2 VAL 411 1HG2 VAL 411 2.026 14.250 1.665 725 2HG2 VAL 411 2HG2 VAL 411 0.707 13.104 1.906 726 3HG2 VAL 411 3HG2 VAL 411 0.694 14.654 2.748 727 H LEU 412 H LEU 412 1.413 14.711 -2.829 728 HA LEU 412 HA LEU 412 0.046 16.896 -3.993 729 1HB LEU 412 2HB LEU 412 0.668 14.163 -5.123 730 2HB LEU 412 1HB LEU 412 0.109 15.533 -6.065 731 HG LEU 412 HG LEU 412 2.326 15.762 -6.470 732 1HD1 LEU 412 1HD1 LEU 412 3.431 17.271 -4.790 733 2HD1 LEU 412 2HD1 LEU 412 2.004 17.063 -3.776 734 3HD1 LEU 412 3HD1 LEU 412 1.853 17.808 -5.368 735 1HD2 LEU 412 1HD2 LEU 412 3.375 14.958 -3.829 736 2HD2 LEU 412 2HD2 LEU 412 3.973 14.600 -5.449 737 3HD2 LEU 412 3HD2 LEU 412 2.609 13.695 -4.793 738 H GLY 413 H GLY 413 -0.954 13.716 -2.891 739 1HA GLY 413 2HA GLY 413 -3.653 14.433 -2.633 740 2HA GLY 413 1HA GLY 413 -3.459 13.605 -4.170 741 H THR 414 H THR 414 -4.882 11.978 -3.316 742 HA THR 414 HA THR 414 -3.417 9.852 -2.020 743 HB THR 414 HB THR 414 -5.883 9.928 -0.610 744 HG1 THR 414 HG1 THR 414 -5.874 11.889 0.353 745 1HG2 THR 414 1HG2 THR 414 -4.384 8.925 0.712 746 2HG2 THR 414 2HG2 THR 414 -3.893 10.547 1.199 747 3HG2 THR 414 3HG2 THR 414 -3.029 9.716 -0.094 748 H GLY 415 H GLY 415 -4.812 7.834 -1.842 749 1HA GLY 415 2HA GLY 415 -7.154 7.754 -3.539 750 2HA GLY 415 1HA GLY 415 -5.740 6.978 -4.234 751 H VAL 416 H VAL 416 -8.498 6.293 -2.704 752 HA VAL 416 HA VAL 416 -7.342 3.945 -1.360 753 HB VAL 416 HB VAL 416 -8.319 5.595 0.242 754 1HG1 VAL 416 1HG1 VAL 416 -11.078 4.886 -0.291 755 2HG1 VAL 416 2HG1 VAL 416 -10.351 5.783 -1.624 756 3HG1 VAL 416 3HG1 VAL 416 -10.354 6.466 0.002 757 1HG2 VAL 416 1HG2 VAL 416 -9.234 3.967 1.621 758 2HG2 VAL 416 2HG2 VAL 416 -8.256 3.020 0.501 759 3HG2 VAL 416 3HG2 VAL 416 -10.003 3.119 0.278 760 H GLY 417 H GLY 417 -8.561 2.003 -1.477 761 1HA GLY 417 2HA GLY 417 -10.981 1.877 -3.005 762 2HA GLY 417 1HA GLY 417 -9.589 1.357 -3.933 763 H ARG 418 H ARG 418 -11.787 -0.272 -3.338 764 HA ARG 418 HA ARG 418 -11.381 -1.959 -1.106 765 1HB ARG 418 2HB ARG 418 -12.821 -3.555 -2.628 766 2HB ARG 418 1HB ARG 418 -13.529 -2.118 -1.902 767 1HG ARG 418 2HG ARG 418 -13.743 -1.047 -3.888 768 2HG ARG 418 1HG ARG 418 -12.313 -1.812 -4.582 769 1HD ARG 418 2HD ARG 418 -13.611 -3.943 -4.701 770 2HD ARG 418 1HD ARG 418 -15.041 -3.035 -4.204 771 HE ARG 418 HE ARG 418 -13.651 -2.026 -6.541 772 1HH1 ARG 418 1HH1 ARG 418 -16.223 -4.008 -5.290 773 2HH1 ARG 418 2HH1 ARG 418 -17.133 -3.986 -6.764 774 1HH2 ARG 418 1HH2 ARG 418 -14.837 -1.986 -8.486 775 2HH2 ARG 418 2HH2 ARG 418 -16.343 -2.837 -8.584 776 H ASN 419 H ASN 419 -10.450 -2.322 -4.526 777 HA ASN 419 HA ASN 419 -8.912 -4.715 -3.824 778 1HB ASN 419 2HB ASN 419 -8.587 -4.463 -6.515 779 2HB ASN 419 1HB ASN 419 -9.886 -5.382 -5.762 780 1HD2 ASN 419 1HD2 ASN 419 -9.160 -3.014 -7.952 781 2HD2 ASN 419 2HD2 ASN 419 -10.718 -2.282 -8.095 782 H ILE 420 H ILE 420 -8.213 -2.097 -3.018 783 HA ILE 420 HA ILE 420 -6.515 -0.613 -2.869 784 HB ILE 420 HB ILE 420 -4.537 -1.538 -2.367 785 1HG1 ILE 420 2HG1 ILE 420 -3.814 -3.765 -3.629 786 2HG1 ILE 420 1HG1 ILE 420 -4.864 -3.116 -4.883 787 1HG2 ILE 420 1HG2 ILE 420 -5.936 -4.167 -2.588 788 2HG2 ILE 420 2HG2 ILE 420 -6.597 -2.905 -1.548 789 3HG2 ILE 420 3HG2 ILE 420 -4.969 -3.521 -1.263 790 1HD1 ILE 420 1HD1 ILE 420 -2.350 -2.573 -4.941 791 2HD1 ILE 420 2HD1 ILE 420 -2.729 -1.418 -3.665 792 3HD1 ILE 420 3HD1 ILE 420 -3.506 -1.277 -5.242 793 H LYS 421 H LYS 421 -6.112 -2.380 -5.985 794 HA LYS 421 HA LYS 421 -4.290 -0.724 -7.170 795 1HB LYS 421 2HB LYS 421 -4.818 -2.421 -8.591 796 2HB LYS 421 1HB LYS 421 -6.522 -2.394 -8.171 797 1HG LYS 421 2HG LYS 421 -5.254 -0.258 -9.848 798 2HG LYS 421 1HG LYS 421 -5.891 -1.751 -10.540 799 1HD LYS 421 2HD LYS 421 -7.990 -1.055 -9.046 800 2HD LYS 421 1HD LYS 421 -7.311 0.546 -9.336 801 1HE LYS 421 2HE LYS 421 -7.739 0.484 -11.573 802 2HE LYS 421 1HE LYS 421 -7.565 -1.268 -11.666 803 1HZ LYS 421 1HZ LYS 421 -9.893 -0.145 -11.879 804 2HZ LYS 421 2HZ LYS 421 -9.841 -0.154 -10.188 805 3HZ LYS 421 3HZ LYS 421 -9.722 -1.608 -11.045 806 H ILE 422 H ILE 422 -7.803 -0.303 -6.991 807 HA ILE 422 HA ILE 422 -8.084 2.078 -8.347 808 HB ILE 422 HB ILE 422 -9.507 2.166 -5.788 809 1HG1 ILE 422 2HG1 ILE 422 -11.049 0.244 -6.595 810 2HG1 ILE 422 1HG1 ILE 422 -9.638 -0.294 -7.504 811 1HG2 ILE 422 1HG2 ILE 422 -10.377 2.131 -8.669 812 2HG2 ILE 422 2HG2 ILE 422 -10.132 3.551 -7.648 813 3HG2 ILE 422 3HG2 ILE 422 -11.444 2.422 -7.295 814 1HD1 ILE 422 1HD1 ILE 422 -10.212 -0.466 -4.657 815 2HD1 ILE 422 2HD1 ILE 422 -8.592 0.134 -5.017 816 3HD1 ILE 422 3HD1 ILE 422 -9.121 -1.425 -5.658 817 H ALA 423 H ALA 423 -6.844 1.421 -5.138 818 HA ALA 423 HA ALA 423 -6.544 4.136 -4.353 819 1HB ALA 423 1HB ALA 423 -4.657 2.291 -3.135 820 2HB ALA 423 2HB ALA 423 -6.312 1.677 -3.117 821 3HB ALA 423 3HB ALA 423 -5.944 3.246 -2.396 822 H GLY 424 H GLY 424 -4.357 1.700 -5.742 823 1HA GLY 424 2HA GLY 424 -2.036 3.276 -5.814 824 2HA GLY 424 1HA GLY 424 -2.380 1.932 -6.896 825 H ILE 425 H ILE 425 -4.297 2.596 -8.496 826 HA ILE 425 HA ILE 425 -3.206 4.507 -10.248 827 HB ILE 425 HB ILE 425 -6.103 3.688 -10.255 828 1HG1 ILE 425 2HG1 ILE 425 -5.298 1.559 -10.265 829 2HG1 ILE 425 1HG1 ILE 425 -4.984 1.921 -11.957 830 1HG2 ILE 425 1HG2 ILE 425 -5.825 3.911 -12.697 831 2HG2 ILE 425 2HG2 ILE 425 -4.171 4.459 -12.431 832 3HG2 ILE 425 3HG2 ILE 425 -5.524 5.417 -11.829 833 1HD1 ILE 425 1HD1 ILE 425 -2.687 2.781 -10.912 834 2HD1 ILE 425 2HD1 ILE 425 -2.954 1.108 -11.404 835 3HD1 ILE 425 3HD1 ILE 425 -3.109 1.564 -9.707 836 H ARG 426 H ARG 426 -5.806 4.726 -7.862 837 HA ARG 426 HA ARG 426 -6.780 7.262 -8.507 838 1HB ARG 426 2HB ARG 426 -7.987 5.884 -6.953 839 2HB ARG 426 1HB ARG 426 -6.616 5.830 -5.852 840 1HG ARG 426 2HG ARG 426 -8.271 7.312 -4.970 841 2HG ARG 426 1HG ARG 426 -6.876 8.266 -5.485 842 1HD ARG 426 2HD ARG 426 -7.988 8.987 -7.452 843 2HD ARG 426 1HD ARG 426 -9.289 7.817 -7.225 844 HE ARG 426 HE ARG 426 -9.213 9.529 -5.004 845 1HH1 ARG 426 1HH1 ARG 426 -9.967 9.585 -8.402 846 2HH1 ARG 426 2HH1 ARG 426 -11.115 10.873 -8.261 847 1HH2 ARG 426 1HH2 ARG 426 -10.719 11.231 -4.803 848 2HH2 ARG 426 2HH2 ARG 426 -11.542 11.811 -6.212 849 H ALA 427 H ALA 427 -4.088 6.286 -6.426 850 HA ALA 427 HA ALA 427 -3.464 8.843 -5.440 851 1HB ALA 427 1HB ALA 427 -1.638 7.883 -4.473 852 2HB ALA 427 2HB ALA 427 -1.256 6.911 -5.894 853 3HB ALA 427 3HB ALA 427 -2.566 6.424 -4.817 854 H ALA 428 H ALA 428 -2.284 7.058 -8.280 855 HA ALA 428 HA ALA 428 -0.378 8.896 -9.150 856 1HB ALA 428 1HB ALA 428 -0.556 7.884 -11.331 857 2HB ALA 428 2HB ALA 428 -2.123 7.186 -10.921 858 3HB ALA 428 3HB ALA 428 -0.667 6.628 -10.097 859 H GLU 429 H GLU 429 -3.741 8.579 -10.318 860 HA GLU 429 HA GLU 429 -3.832 10.840 -11.899 861 1HB GLU 429 2HB GLU 429 -5.840 9.231 -10.426 862 2HB GLU 429 1HB GLU 429 -6.347 10.844 -10.911 863 1HG GLU 429 2HG GLU 429 -6.867 9.976 -12.879 864 2HG GLU 429 1HG GLU 429 -5.138 9.802 -13.174 865 H ASN 430 H ASN 430 -3.968 10.511 -8.439 866 HA ASN 430 HA ASN 430 -4.915 13.083 -7.784 867 1HB ASN 430 2HB ASN 430 -3.770 10.807 -6.390 868 2HB ASN 430 1HB ASN 430 -3.216 12.337 -5.713 869 1HD2 ASN 430 1HD2 ASN 430 -6.153 10.656 -6.754 870 2HD2 ASN 430 2HD2 ASN 430 -7.183 11.347 -5.552 871 H ALA 431 H ALA 431 -1.657 11.812 -8.372 872 HA ALA 431 HA ALA 431 -0.259 14.133 -7.592 873 1HB ALA 431 1HB ALA 431 1.627 13.064 -8.259 874 2HB ALA 431 2HB ALA 431 0.897 12.468 -9.750 875 3HB ALA 431 3HB ALA 431 0.549 11.669 -8.218 876 H LEU 432 H LEU 432 -1.566 13.047 -10.682 877 HA LEU 432 HA LEU 432 -0.650 15.448 -12.031 878 1HB LEU 432 2HB LEU 432 -1.983 14.438 -13.955 879 2HB LEU 432 1HB LEU 432 -0.559 13.570 -13.415 880 HG LEU 432 HG LEU 432 -2.987 12.683 -12.062 881 1HD1 LEU 432 1HD1 LEU 432 -2.945 11.706 -14.830 882 2HD1 LEU 432 2HD1 LEU 432 -3.492 13.370 -14.631 883 3HD1 LEU 432 3HD1 LEU 432 -4.307 12.066 -13.770 884 1HD2 LEU 432 1HD2 LEU 432 -0.880 11.487 -11.946 885 2HD2 LEU 432 2HD2 LEU 432 -0.867 11.298 -13.699 886 3HD2 LEU 432 3HD2 LEU 432 -2.103 10.491 -12.735 887 H ARG 433 H ARG 433 -2.908 15.067 -9.845 888 HA ARG 433 HA ARG 433 -5.100 16.397 -11.236 889 1HB ARG 433 2HB ARG 433 -5.231 14.468 -9.426 890 2HB ARG 433 1HB ARG 433 -5.160 15.820 -8.307 891 1HG ARG 433 2HG ARG 433 -7.143 16.781 -9.273 892 2HG ARG 433 1HG ARG 433 -7.182 15.528 -10.516 893 1HD ARG 433 2HD ARG 433 -7.067 14.434 -7.825 894 2HD ARG 433 1HD ARG 433 -8.479 15.459 -8.075 895 HE ARG 433 HE ARG 433 -7.967 12.888 -9.261 896 1HH1 ARG 433 1HH1 ARG 433 -9.702 15.891 -9.546 897 2HH1 ARG 433 2HH1 ARG 433 -10.963 15.221 -10.524 898 1HH2 ARG 433 1HH2 ARG 433 -9.625 11.991 -10.547 899 2HH2 ARG 433 2HH2 ARG 433 -10.921 13.003 -11.092 900 H ASP 434 H ASP 434 -2.329 17.490 -10.229 901 HA ASP 434 HA ASP 434 -3.473 19.937 -9.050 902 1HB ASP 434 2HB ASP 434 -0.683 18.991 -8.451 903 2HB ASP 434 1HB ASP 434 -1.656 20.164 -7.571 904 H LYS 435 H LYS 435 -3.614 20.688 -11.257 905 HA LYS 435 HA LYS 435 -1.647 20.870 -13.140 906 1HB LYS 435 2HB LYS 435 -2.907 22.516 -14.157 907 2HB LYS 435 1HB LYS 435 -4.103 21.783 -13.096 908 1HG LYS 435 2HG LYS 435 -3.783 23.561 -11.473 909 2HG LYS 435 1HG LYS 435 -2.536 24.283 -12.490 910 1HD LYS 435 2HD LYS 435 -4.831 25.327 -12.643 911 2HD LYS 435 1HD LYS 435 -4.100 24.841 -14.174 912 1HE LYS 435 2HE LYS 435 -5.409 22.765 -14.124 913 2HE LYS 435 1HE LYS 435 -6.152 23.277 -12.609 914 1HZ LYS 435 1HZ LYS 435 -6.466 24.491 -15.290 915 2HZ LYS 435 2HZ LYS 435 -6.933 25.291 -13.875 916 3HZ LYS 435 3HZ LYS 435 -7.664 23.827 -14.298 917 H LYS 436 H LYS 436 -2.189 23.146 -10.466 918 HA LYS 436 HA LYS 436 -0.128 24.923 -11.056 919 1HB LYS 436 2HB LYS 436 -1.150 24.169 -8.314 920 2HB LYS 436 1HB LYS 436 -0.298 25.649 -8.739 921 1HG LYS 436 2HG LYS 436 -2.117 26.484 -9.952 922 2HG LYS 436 1HG LYS 436 -2.894 24.903 -10.043 923 1HD LYS 436 2HD LYS 436 -4.090 25.464 -8.254 924 2HD LYS 436 1HD LYS 436 -2.598 25.434 -7.311 925 1HE LYS 436 2HE LYS 436 -2.799 27.618 -6.968 926 2HE LYS 436 1HE LYS 436 -2.646 27.888 -8.703 927 1HZ LYS 436 1HZ LYS 436 -4.713 28.648 -8.644 928 2HZ LYS 436 2HZ LYS 436 -4.937 28.146 -7.044 929 3HZ LYS 436 3HZ LYS 436 -5.243 27.074 -8.316 930 H MET 437 H MET 437 -0.096 22.021 -9.003 931 HA MET 437 HA MET 437 2.610 22.240 -8.217 932 1HB MET 437 2HB MET 437 0.887 20.769 -7.126 933 2HB MET 437 1HB MET 437 1.009 19.694 -8.512 934 1HG MET 437 2HG MET 437 3.603 20.280 -7.387 935 2HG MET 437 1HG MET 437 2.508 19.589 -6.192 936 1HE MET 437 1HE MET 437 0.786 17.740 -7.110 937 2HE MET 437 2HE MET 437 1.362 16.315 -7.975 938 3HE MET 437 3HE MET 437 0.827 17.735 -8.873 939 H LEU 438 H LEU 438 1.165 19.921 -10.506 940 HA LEU 438 HA LEU 438 3.346 18.840 -11.665 941 1HB LEU 438 2HB LEU 438 0.929 19.878 -13.153 942 2HB LEU 438 1HB LEU 438 2.069 18.701 -13.773 943 HG LEU 438 HG LEU 438 0.435 18.214 -11.286 944 1HD1 LEU 438 1HD1 LEU 438 -0.377 16.842 -13.735 945 2HD1 LEU 438 2HD1 LEU 438 -0.665 18.582 -13.757 946 3HD1 LEU 438 3HD1 LEU 438 -1.354 17.590 -12.471 947 1HD2 LEU 438 1HD2 LEU 438 1.110 15.902 -12.821 948 2HD2 LEU 438 2HD2 LEU 438 1.574 16.312 -11.170 949 3HD2 LEU 438 3HD2 LEU 438 2.570 16.846 -12.524 950 H ASP 439 H ASP 439 1.760 21.662 -13.130 951 HA ASP 439 HA ASP 439 3.712 22.403 -14.903 952 1HB ASP 439 2HB ASP 439 1.450 23.444 -14.710 953 2HB ASP 439 1HB ASP 439 2.018 24.331 -13.298 954 H PHE 440 H PHE 440 3.448 23.313 -11.490 955 HA PHE 440 HA PHE 440 5.540 25.116 -11.327 956 1HB PHE 440 2HB PHE 440 4.522 25.077 -9.304 957 2HB PHE 440 1HB PHE 440 4.075 23.386 -9.452 958 HD1 PHE 440 HD1 PHE 440 7.145 25.452 -8.948 959 HD2 PHE 440 HD2 PHE 440 4.984 21.926 -7.941 960 HE1 PHE 440 HE1 PHE 440 8.883 24.860 -7.308 961 HE2 PHE 440 HE2 PHE 440 6.714 21.329 -6.298 962 HZ PHE 440 HZ PHE 440 8.668 22.796 -5.980 963 H TYR 441 H TYR 441 5.589 21.631 -11.522 964 HA TYR 441 HA TYR 441 8.365 21.385 -10.876 965 1HB TYR 441 2HB TYR 441 6.235 19.529 -11.843 966 2HB TYR 441 1HB TYR 441 7.924 19.040 -11.990 967 HD1 TYR 441 HD1 TYR 441 5.174 19.687 -9.696 968 HD2 TYR 441 HD2 TYR 441 9.311 18.753 -9.988 969 HE1 TYR 441 HE1 TYR 441 5.194 19.072 -7.321 970 HE2 TYR 441 HE2 TYR 441 9.348 18.128 -7.617 971 HH TYR 441 HH TYR 441 6.438 17.839 -5.744 972 H ALA 442 H ALA 442 6.475 21.491 -13.865 973 HA ALA 442 HA ALA 442 8.449 20.883 -15.707 974 1HB ALA 442 1HB ALA 442 5.955 21.577 -16.069 975 2HB ALA 442 2HB ALA 442 7.146 21.900 -17.328 976 3HB ALA 442 3HB ALA 442 6.628 23.196 -16.250 977 H LYS 443 H LYS 443 7.761 23.926 -14.065 978 HA LYS 443 HA LYS 443 9.770 25.476 -15.287 979 1HB LYS 443 2HB LYS 443 8.013 26.585 -14.092 980 2HB LYS 443 1HB LYS 443 8.384 25.707 -12.615 981 1HG LYS 443 2HG LYS 443 10.554 27.359 -13.751 982 2HG LYS 443 1HG LYS 443 9.172 28.216 -13.066 983 1HD LYS 443 2HD LYS 443 9.538 27.364 -10.937 984 2HD LYS 443 1HD LYS 443 10.485 26.001 -11.538 985 1HE LYS 443 2HE LYS 443 12.390 27.156 -11.412 986 2HE LYS 443 1HE LYS 443 11.684 28.546 -12.235 987 1HZ LYS 443 1HZ LYS 443 12.215 29.362 -10.154 988 2HZ LYS 443 2HZ LYS 443 11.752 27.949 -9.348 989 3HZ LYS 443 3HZ LYS 443 10.575 28.986 -9.980 990 H GLN 444 H GLN 444 9.705 23.691 -12.197 991 HA GLN 444 HA GLN 444 12.310 24.244 -11.385 992 1HB GLN 444 2HB GLN 444 10.343 22.077 -10.836 993 2HB GLN 444 1HB GLN 444 12.020 21.771 -10.404 994 1HG GLN 444 2HG GLN 444 11.439 24.340 -9.453 995 2HG GLN 444 1HG GLN 444 10.048 23.335 -9.042 996 1HE2 GLN 444 1HE2 GLN 444 11.588 20.901 -8.882 997 2HE2 GLN 444 2HE2 GLN 444 12.505 20.987 -7.421 998 H ARG 445 H ARG 445 11.044 21.872 -13.636 999 HA ARG 445 HA ARG 445 13.269 20.252 -13.996 1000 1HB ARG 445 2HB ARG 445 10.816 20.853 -15.456 1001 2HB ARG 445 1HB ARG 445 12.155 20.466 -16.529 1002 1HG ARG 445 2HG ARG 445 11.023 18.759 -14.329 1003 2HG ARG 445 1HG ARG 445 10.973 18.454 -16.066 1004 1HD ARG 445 2HD ARG 445 13.378 18.419 -14.255 1005 2HD ARG 445 1HD ARG 445 12.676 17.068 -15.136 1006 HE ARG 445 HE ARG 445 14.385 19.157 -16.206 1007 1HH1 ARG 445 1HH1 ARG 445 12.279 16.454 -16.855 1008 2HH1 ARG 445 2HH1 ARG 445 12.893 16.195 -18.453 1009 1HH2 ARG 445 1HH2 ARG 445 15.195 18.823 -18.306 1010 2HH2 ARG 445 2HH2 ARG 445 14.551 17.542 -19.278 1011 H ALA 446 H ALA 446 12.344 23.173 -15.833 1012 HA ALA 446 HA ALA 446 14.636 23.244 -17.453 1013 1HB ALA 446 1HB ALA 446 13.054 24.715 -18.226 1014 2HB ALA 446 2HB ALA 446 14.116 25.834 -17.369 1015 3HB ALA 446 3HB ALA 446 12.626 25.275 -16.610 1016 H ALA 447 H ALA 447 14.013 24.316 -14.209 1017 HA ALA 447 HA ALA 447 16.550 25.671 -13.930 1018 1HB ALA 447 1HB ALA 447 15.615 25.487 -11.392 1019 2HB ALA 447 2HB ALA 447 14.118 25.395 -12.319 1020 3HB ALA 447 3HB ALA 447 15.199 26.773 -12.523 1021 H ILE 448 H ILE 448 15.279 23.443 -11.521 1022 HA ILE 448 HA ILE 448 16.570 22.106 -10.112 1023 HB ILE 448 HB ILE 448 17.270 20.025 -11.638 1024 1HG1 ILE 448 2HG1 ILE 448 14.946 20.982 -13.227 1025 2HG1 ILE 448 1HG1 ILE 448 16.531 21.634 -13.628 1026 1HG2 ILE 448 1HG2 ILE 448 14.778 20.897 -10.359 1027 2HG2 ILE 448 2HG2 ILE 448 15.690 19.398 -10.174 1028 3HG2 ILE 448 3HG2 ILE 448 14.591 19.598 -11.540 1029 1HD1 ILE 448 1HD1 ILE 448 15.384 19.054 -14.212 1030 2HD1 ILE 448 2HD1 ILE 448 16.948 18.909 -13.410 1031 3HD1 ILE 448 3HD1 ILE 448 16.805 19.840 -14.900 1032 HA PRO 449 HA PRO 449 20.731 23.911 -10.934 1033 1HB PRO 449 2HB PRO 449 20.859 22.601 -8.237 1034 2HB PRO 449 1HB PRO 449 21.565 24.133 -8.775 1035 1HG PRO 449 2HG PRO 449 19.319 24.115 -7.351 1036 2HG PRO 449 1HG PRO 449 19.532 25.252 -8.695 1037 1HD PRO 449 2HD PRO 449 17.839 22.819 -8.527 1038 2HD PRO 449 1HD PRO 449 17.613 24.290 -9.492 1039 H ARG 450 H ARG 450 22.655 22.939 -11.491 1040 HA ARG 450 HA ARG 450 22.536 20.149 -12.138 1041 1HB ARG 450 2HB ARG 450 24.492 22.362 -12.579 1042 2HB ARG 450 1HB ARG 450 25.032 20.701 -12.782 1043 1HG ARG 450 2HG ARG 450 24.182 20.678 -14.818 1044 2HG ARG 450 1HG ARG 450 22.573 20.968 -14.154 1045 1HD ARG 450 2HD ARG 450 22.614 22.904 -15.262 1046 2HD ARG 450 1HD ARG 450 23.768 23.451 -14.046 1047 HE ARG 450 HE ARG 450 25.451 23.288 -15.604 1048 1HH1 ARG 450 1HH1 ARG 450 22.573 21.743 -16.812 1049 2HH1 ARG 450 2HH1 ARG 450 23.205 21.522 -18.409 1050 1HH2 ARG 450 1HH2 ARG 450 26.294 22.998 -17.708 1051 2HH2 ARG 450 2HH2 ARG 450 25.318 22.231 -18.917 1052 H SER 451 H SER 451 23.987 22.059 -9.605 1053 HA SER 451 HA SER 451 25.161 19.592 -8.499 1054 1HB SER 451 2HB SER 451 26.878 21.241 -9.193 1055 2HB SER 451 1HB SER 451 26.163 22.422 -8.097 1056 HG SER 451 HG SER 451 27.515 20.024 -7.483 1057 H GLU 452 H GLU 452 24.520 18.988 -6.530 1058 HA GLU 452 HA GLU 452 22.294 20.065 -5.275 1059 1HB GLU 452 2HB GLU 452 23.004 17.800 -4.831 1060 2HB GLU 452 1HB GLU 452 24.516 18.364 -4.133 1061 1HG GLU 452 2HG GLU 452 22.945 19.615 -2.469 1062 2HG GLU 452 1HG GLU 452 21.765 18.416 -2.994 1063 H SER 453 HN SER 453 21.955 21.728 -3.949 1064 HA SER 453 HA SER 453 23.838 22.690 -2.069 1065 1HB SER 453 2HB SER 453 24.105 24.986 -3.142 1066 2HB SER 453 1HB SER 453 25.031 23.675 -3.874 1067 HG SER 453 HG SER 453 23.219 25.262 -5.013 Start of MODEL 5 1 1H5* G 1 2H5* G 1 -18.214 -27.016 -5.305 2 2H5* G 1 1H5* G 1 -16.722 -26.552 -6.148 3 H4* G 1 H4* G 1 -18.464 -25.710 -7.514 4 H3* G 1 H3* G 1 -17.066 -23.685 -5.801 5 H2* G 1 H2* G 1 -18.659 -21.974 -6.198 6 2HO* G 1 HO2* G 1 -20.129 -23.509 -8.050 7 H1* G 1 H1* G 1 -20.899 -23.348 -5.870 8 H8 G 1 H8 G 1 -18.924 -25.324 -3.547 9 H1 G 1 H1 G 1 -19.513 -19.370 -1.341 10 1H2 G 1 1H2 G 1 -20.246 -18.034 -2.948 11 2H2 G 1 2H2 G 1 -20.594 -18.608 -4.564 12 H5T G 1 H5T G 1 -16.245 -25.192 -4.601 13 1H5* G 2 2H5* G 2 -18.181 -21.641 -8.636 14 2H5* G 2 1H5* G 2 -17.033 -21.016 -9.835 15 H4* G 2 H4* G 2 -18.360 -19.142 -9.270 16 H3* G 2 H3* G 2 -15.756 -19.166 -7.697 17 H2* G 2 H2* G 2 -16.399 -17.092 -6.729 18 2HO* G 2 HO2* G 2 -18.090 -15.846 -7.572 19 H1* G 2 H1* G 2 -19.040 -17.702 -6.325 20 H8 G 2 H8 G 2 -17.136 -20.762 -5.386 21 H1 G 2 H1 G 2 -16.582 -16.188 -0.989 22 1H2 G 2 1H2 G 2 -17.334 -14.266 -1.791 23 2H2 G 2 2H2 G 2 -17.976 -14.109 -3.411 24 1H5* G 3 2H5* G 3 -16.785 -15.155 -8.593 25 2H5* G 3 1H5* G 3 -15.377 -14.461 -9.415 26 H4* G 3 H4* G 3 -16.155 -13.090 -7.471 27 H3* G 3 H3* G 3 -13.394 -14.241 -7.723 28 H2* G 3 H2* G 3 -12.845 -13.905 -5.515 29 2HO* G 3 HO2* G 3 -12.830 -11.848 -5.063 30 H1* G 3 H1* G 3 -15.467 -13.443 -4.417 31 H8 G 3 H8 G 3 -14.596 -16.915 -5.622 32 H1 G 3 H1 G 3 -12.744 -15.809 0.376 33 1H2 G 3 1H2 G 3 -12.956 -13.664 0.856 34 2H2 G 3 2H2 G 3 -13.551 -12.495 -0.300 35 1H5* A 4 2H5* A 4 -13.579 -10.048 -5.647 36 2H5* A 4 1H5* A 4 -12.388 -9.135 -6.595 37 H4* A 4 H4* A 4 -11.940 -8.628 -4.299 38 H3* A 4 H3* A 4 -10.033 -10.654 -5.515 39 H2* A 4 H2* A 4 -8.880 -10.790 -3.476 40 2HO* A 4 HO2* A 4 -9.354 -9.107 -1.808 41 H1* A 4 H1* A 4 -11.058 -10.423 -1.757 42 H8 A 4 H8 A 4 -11.126 -12.995 -4.616 43 1H6 A 4 1H6 A 4 -9.097 -17.047 -0.441 44 2H6 A 4 2H6 A 4 -9.652 -16.847 -2.088 45 H2 A 4 H2 A 4 -9.202 -12.988 1.479 46 1H5* U 5 2H5* U 5 -8.145 -6.764 -3.230 47 2H5* U 5 1H5* U 5 -6.527 -6.701 -3.953 48 H4* U 5 H4* U 5 -6.596 -6.641 -1.408 49 H3* U 5 H3* U 5 -5.032 -8.731 -2.965 50 H2* U 5 H2* U 5 -4.183 -9.528 -0.877 51 2HO* U 5 HO2* U 5 -4.949 -8.256 1.086 52 H1* U 5 H1* U 5 -6.545 -9.476 0.470 53 H3 U 5 H3 U 5 -5.824 -13.879 -0.235 54 H5 U 5 H5 U 5 -6.882 -12.409 -4.040 55 H6 U 5 H6 U 5 -6.843 -10.166 -3.111 56 1H5* A 6 2H5* A 6 -2.404 -7.180 0.246 57 2H5* A 6 1H5* A 6 -0.785 -7.132 -0.481 58 H4* A 6 H4* A 6 -1.052 -8.587 1.615 59 H3* A 6 H3* A 6 0.075 -9.584 -1.025 60 H2* A 6 H2* A 6 0.394 -11.710 -0.079 61 2HO* A 6 HO2* A 6 1.335 -11.677 1.813 62 H1* A 6 H1* A 6 -1.789 -11.693 1.687 63 H8 A 6 H8 A 6 -2.837 -10.862 -1.823 64 1H6 A 6 1H6 A 6 -2.882 -16.888 -3.023 65 2H6 A 6 2H6 A 6 -3.317 -15.303 -3.617 66 H2 A 6 H2 A 6 -0.967 -16.286 1.002 67 1H5* C 7 2H5* C 7 2.720 -10.526 2.965 68 2H5* C 7 1H5* C 7 4.308 -10.131 2.278 69 H4* C 7 H4* C 7 4.350 -12.251 3.575 70 H3* C 7 H3* C 7 4.913 -12.231 0.597 71 H2* C 7 H2* C 7 5.222 -14.593 0.630 72 2HO* C 7 HO2* C 7 5.848 -14.112 3.231 73 H1* C 7 H1* C 7 3.071 -15.234 2.056 74 1H4 C 7 1H4 C 7 1.030 -15.005 -3.959 75 2H4 C 7 2H4 C 7 0.985 -13.258 -3.913 76 H5 C 7 H5 C 7 1.738 -11.969 -2.023 77 H6 C 7 H6 C 7 2.690 -12.076 0.230 78 1H5* C 8 2H5* C 8 8.598 -14.548 2.268 79 2H5* C 8 1H5* C 8 9.866 -13.869 1.228 80 H4* C 8 H4* C 8 9.729 -16.368 1.120 81 H3* C 8 H3* C 8 9.204 -14.690 -1.363 82 H2* C 8 H2* C 8 9.049 -16.721 -2.609 83 2HO* C 8 HO2* C 8 9.719 -18.693 -1.773 84 H1* C 8 H1* C 8 7.516 -18.077 -0.812 85 1H4 C 8 1H4 C 8 3.438 -15.334 -4.863 86 2H4 C 8 2H4 C 8 3.530 -13.837 -3.961 87 H5 C 8 H5 C 8 5.034 -13.502 -2.111 88 H6 C 8 H6 C 8 6.772 -14.530 -0.723 89 1H5* A 9 2H5* A 9 12.601 -17.015 -3.076 90 2H5* A 9 1H5* A 9 13.360 -15.773 -4.089 91 H4* A 9 H4* A 9 12.345 -17.788 -5.313 92 H3* A 9 H3* A 9 11.711 -14.885 -5.934 93 H2* A 9 H2* A 9 10.203 -15.548 -7.595 94 2HO* A 9 HO2* A 9 11.681 -17.990 -7.632 95 H1* A 9 H1* A 9 9.424 -18.026 -6.470 96 H8 A 9 H8 A 9 8.854 -15.189 -4.091 97 1H6 A 9 1H6 A 9 3.569 -14.070 -7.048 98 2H6 A 9 2H6 A 9 4.525 -13.699 -5.631 99 H2 A 9 H2 A 9 5.927 -17.023 -9.478 100 1H5* U 10 2H5* U 10 12.950 -17.088 -9.935 101 2H5* U 10 1H5* U 10 13.761 -15.763 -10.795 102 H4* U 10 H4* U 10 11.854 -16.903 -12.052 103 H3* U 10 H3* U 10 12.106 -13.934 -11.555 104 H2* U 10 H2* U 10 10.020 -13.503 -12.559 105 2HO* U 10 HO2* U 10 10.547 -15.941 -13.838 106 H1* U 10 H1* U 10 8.613 -15.653 -11.618 107 H3 U 10 H3 U 10 6.807 -12.141 -9.413 108 H5 U 10 H5 U 10 10.607 -12.578 -7.666 109 H6 U 10 H6 U 10 11.111 -14.276 -9.321 110 1H5* G 11 2H5* G 11 10.570 -15.323 -15.621 111 2H5* G 11 1H5* G 11 11.076 -14.134 -16.839 112 H4* G 11 H4* G 11 8.553 -14.721 -16.684 113 H3* G 11 H3* G 11 9.730 -11.923 -16.745 114 H2* G 11 H2* G 11 7.585 -11.002 -16.557 115 2HO* G 11 HO2* G 11 6.982 -12.803 -18.302 116 H1* G 11 H1* G 11 6.373 -13.117 -15.109 117 H8 G 11 H8 G 11 9.461 -11.642 -13.497 118 H1 G 11 H1 G 11 4.188 -8.262 -12.328 119 1H2 G 11 1H2 G 11 2.524 -8.984 -13.605 120 2H2 G 11 2H2 G 11 2.714 -10.301 -14.740 121 1H5* U 12 2H5* U 12 6.434 -13.506 -19.915 122 2H5* U 12 1H5* U 12 6.426 -12.350 -21.262 123 H4* U 12 H4* U 12 4.147 -13.010 -20.207 124 H3* U 12 H3* U 12 5.145 -10.255 -20.917 125 H2* U 12 H2* U 12 3.277 -9.203 -19.917 126 2HO* U 12 HO2* U 12 1.832 -11.397 -19.148 127 H1* U 12 H1* U 12 3.063 -10.690 -17.681 128 H3 U 12 H3 U 12 4.789 -6.688 -16.398 129 H5 U 12 H5 U 12 8.095 -8.869 -17.849 130 H6 U 12 H6 U 12 6.546 -10.563 -18.636 131 1H5* U 13 2H5* U 13 0.693 -10.513 -21.018 132 2H5* U 13 1H5* U 13 0.212 -9.661 -22.500 133 H4* U 13 H4* U 13 -0.758 -8.811 -20.253 134 H3* U 13 H3* U 13 0.516 -7.189 -22.453 135 H2* U 13 H2* U 13 0.603 -5.279 -21.164 136 2HO* U 13 HO2* U 13 -1.229 -5.619 -19.244 137 H1* U 13 H1* U 13 0.315 -6.459 -18.565 138 H3 U 13 H3 U 13 3.469 -3.239 -18.044 139 H5 U 13 H5 U 13 5.250 -6.005 -20.678 140 H6 U 13 H6 U 13 3.155 -7.220 -20.722 141 1H5* C 14 2H5* C 14 -3.256 -5.501 -20.669 142 2H5* C 14 1H5* C 14 -4.139 -4.519 -21.856 143 H4* C 14 H4* C 14 -3.542 -3.367 -19.644 144 H3* C 14 H3* C 14 -2.852 -2.295 -22.395 145 H2* C 14 H2* C 14 -1.729 -0.476 -21.452 146 2HO* C 14 HO2* C 14 -2.595 0.571 -19.829 147 H1* C 14 H1* C 14 -0.953 -1.689 -19.005 148 1H4 C 14 1H4 C 14 4.307 -0.439 -22.378 149 2H4 C 14 2H4 C 14 4.001 -1.826 -23.399 150 H5 C 14 H5 C 14 2.017 -3.182 -23.223 151 H6 C 14 H6 C 14 -0.101 -3.495 -22.032 152 1H5* A 15 2H5* A 15 -3.992 0.779 -24.639 153 2H5* A 15 1H5* A 15 -3.124 -0.648 -24.040 154 H4* A 15 H4* A 15 -2.405 1.954 -22.772 155 H3* A 15 H3* A 15 -2.030 1.380 -25.716 156 H2* A 15 H2* A 15 0.228 1.965 -25.635 157 2HO* A 15 HO2* A 15 -0.466 3.468 -23.306 158 H1* A 15 H1* A 15 0.774 1.303 -22.948 159 H8 A 15 H8 A 15 -0.596 -1.710 -24.603 160 1H6 A 15 1H6 A 15 4.917 -2.653 -27.177 161 2H6 A 15 2H6 A 15 3.345 -3.349 -26.856 162 H2 A 15 H2 A 15 4.900 1.476 -25.400 163 1H5* G 16 2H5* G 16 -0.819 4.488 -25.308 164 2H5* G 16 1H5* G 16 -0.792 6.078 -26.095 165 H4* G 16 H4* G 16 1.112 5.091 -26.992 166 H3* G 16 H3* G 16 -1.217 5.081 -28.759 167 H2* G 16 H2* G 16 -1.016 2.834 -29.369 168 2HO* G 16 HO2* G 16 1.397 3.913 -30.462 169 H1* G 16 H1* G 16 1.876 2.803 -28.479 170 H8 G 16 H8 G 16 2.570 0.336 -28.563 171 H1 G 16 H1 G 16 -3.403 -1.836 -28.039 172 1H2 G 16 1H2 G 16 -4.813 -0.144 -27.816 173 2H2 G 16 2H2 G 16 -4.286 1.524 -27.797 174 1H5* A 17 2H5* A 17 4.995 6.524 -28.851 175 2H5* A 17 1H5* A 17 4.211 6.186 -27.295 176 H4* A 17 H4* A 17 5.038 8.799 -28.494 177 H3* A 17 H3* A 17 5.811 7.326 -26.251 178 H2* A 17 H2* A 17 3.809 7.673 -25.005 179 2HO* A 17 HO2* A 17 4.251 9.938 -23.935 180 H1* A 17 H1* A 17 3.641 10.500 -26.079 181 H8 A 17 H8 A 17 1.396 7.342 -25.729 182 1H6 A 17 1H6 A 17 -2.588 11.052 -22.848 183 2H6 A 17 2H6 A 17 -2.298 9.422 -23.415 184 H2 A 17 H2 A 17 1.030 13.480 -23.954 185 1H5* A 18 2H5* A 18 9.754 9.199 -24.985 186 2H5* A 18 1H5* A 18 9.808 7.497 -24.483 187 H4* A 18 H4* A 18 8.923 9.640 -22.932 188 H3* A 18 H3* A 18 8.725 6.628 -22.774 189 H2* A 18 H2* A 18 7.100 6.744 -21.062 190 2HO* A 18 HO2* A 18 6.828 8.505 -19.777 191 H1* A 18 H1* A 18 5.586 8.767 -22.053 192 H8 A 18 H8 A 18 7.168 6.279 -24.538 193 1H6 A 18 1H6 A 18 1.924 3.086 -24.083 194 2H6 A 18 2H6 A 18 3.469 3.199 -24.894 195 H2 A 18 H2 A 18 1.724 6.515 -21.183 196 1H5* G 19 2H5* G 19 9.933 8.083 -19.015 197 2H5* G 19 1H5* G 19 10.654 6.954 -17.850 198 H4* G 19 H4* G 19 8.217 7.537 -17.428 199 H3* G 19 H3* G 19 9.238 4.706 -17.787 200 H2* G 19 H2* G 19 7.065 3.851 -17.557 201 2HO* G 19 HO2* G 19 5.623 6.002 -16.784 202 H1* G 19 H1* G 19 5.651 5.965 -18.717 203 H8 G 19 H8 G 19 8.377 4.950 -21.032 204 H1 G 19 H1 G 19 3.606 0.722 -21.010 205 1H2 G 19 1H2 G 19 2.225 1.149 -19.334 206 2H2 G 19 2H2 G 19 2.477 2.475 -18.220 207 1H5* A 20 2H5* A 20 7.213 5.857 -13.564 208 2H5* A 20 1H5* A 20 7.676 4.595 -12.404 209 H4* A 20 H4* A 20 5.178 5.197 -12.545 210 H3* A 20 H3* A 20 6.401 2.444 -12.617 211 H2* A 20 H2* A 20 4.330 1.415 -13.091 212 2HO* A 20 HO2* A 20 2.359 2.450 -12.764 213 H1* A 20 H1* A 20 3.352 3.145 -14.896 214 H8 A 20 H8 A 20 7.036 3.059 -15.521 215 1H6 A 20 1H6 A 20 6.214 -2.217 -18.590 216 2H6 A 20 2H6 A 20 7.346 -0.938 -18.213 217 H2 A 20 H2 A 20 2.385 -1.241 -16.450 218 1H5* A 21 2H5* A 21 2.222 2.492 -10.846 219 2H5* A 21 1H5* A 21 2.340 1.420 -9.435 220 H4* A 21 H4* A 21 0.546 0.873 -11.230 221 H3* A 21 H3* A 21 2.520 -1.029 -9.962 222 H2* A 21 H2* A 21 1.897 -2.774 -11.370 223 2HO* A 21 HO2* A 21 -0.490 -1.946 -10.861 224 H1* A 21 H1* A 21 1.138 -1.318 -13.635 225 H8 A 21 H8 A 21 4.599 -0.498 -12.347 226 1H6 A 21 1H6 A 21 6.654 -5.330 -15.541 227 2H6 A 21 2H6 A 21 7.117 -3.926 -14.606 228 H2 A 21 H2 A 21 2.163 -5.403 -15.642 229 1H5* C 22 2H5* C 22 -2.092 -2.563 -10.261 230 2H5* C 22 1H5* C 22 -2.155 -3.786 -8.976 231 H4* C 22 H4* C 22 -2.897 -4.478 -11.372 232 H3* C 22 H3* C 22 -1.038 -5.993 -9.522 233 H2* C 22 H2* C 22 -0.685 -7.658 -11.182 234 2HO* C 22 HO2* C 22 -2.796 -6.407 -12.656 235 H1* C 22 H1* C 22 -0.313 -6.023 -13.295 236 1H4 C 22 1H4 C 22 5.399 -6.882 -10.588 237 2H4 C 22 2H4 C 22 5.069 -5.593 -9.457 238 H5 C 22 H5 C 22 2.953 -4.461 -9.331 239 H6 C 22 H6 C 22 0.693 -4.315 -10.264 240 1H5* G 23 2H5* G 23 -3.465 -8.519 -12.069 241 2H5* G 23 1H5* G 23 -3.905 -9.999 -11.197 242 H4* G 23 H4* G 23 -2.539 -10.205 -13.415 243 H3* G 23 H3* G 23 -1.986 -11.638 -10.792 244 H2* G 23 H2* G 23 -0.091 -12.623 -11.723 245 2HO* G 23 HO2* G 23 0.143 -12.833 -14.025 246 H1* G 23 H1* G 23 0.562 -10.618 -13.584 247 H8 G 23 H8 G 23 0.494 -9.161 -10.179 248 H1 G 23 H1 G 23 5.578 -12.913 -11.040 249 1H2 G 23 1H2 G 23 5.347 -14.091 -12.891 250 2H2 G 23 2H2 G 23 3.936 -13.962 -13.918 251 1H5* U 24 2H5* U 24 -1.247 -14.138 -14.698 252 2H5* U 24 1H5* U 24 -2.192 -15.587 -14.309 253 H4* U 24 H4* U 24 0.022 -16.196 -15.197 254 H3* U 24 H3* U 24 -0.587 -16.822 -12.289 255 H2* U 24 H2* U 24 1.557 -17.876 -12.116 256 2HO* U 24 HO2* U 24 2.712 -18.509 -13.857 257 H1* U 24 H1* U 24 2.977 -15.922 -13.296 258 H3 U 24 H3 U 24 3.763 -15.129 -8.929 259 H5 U 24 H5 U 24 -0.201 -13.835 -9.494 260 H6 U 24 H6 U 24 -0.109 -14.745 -11.741 261 1H5* G 25 2H5* G 25 0.432 -21.015 -13.537 262 2H5* G 25 1H5* G 25 -0.784 -21.928 -12.624 263 H4* G 25 H4* G 25 1.564 -22.497 -11.976 264 H3* G 25 H3* G 25 -0.301 -21.233 -9.924 265 H2* G 25 H2* G 25 1.413 -21.591 -8.306 266 2HO* G 25 HO2* G 25 1.950 -23.736 -9.054 267 H1* G 25 H1* G 25 3.504 -20.816 -9.882 268 H8 G 25 H8 G 25 0.520 -18.546 -10.405 269 H1 G 25 H1 G 25 3.935 -17.062 -5.234 270 1H2 G 25 1H2 G 25 5.409 -18.662 -4.814 271 2H2 G 25 2H2 G 25 5.546 -20.097 -5.804 272 1H5* G 26 2H5* G 26 0.469 -25.334 -7.894 273 2H5* G 26 1H5* G 26 -1.056 -25.515 -7.003 274 H4* G 26 H4* G 26 1.124 -25.374 -5.618 275 H3* G 26 H3* G 26 -1.372 -23.706 -5.161 276 H2* G 26 H2* G 26 -0.322 -22.593 -3.393 277 2HO* G 26 HO2* G 26 1.217 -23.539 -2.121 278 H1* G 26 H1* G 26 2.343 -22.782 -4.318 279 H8 G 26 H8 G 26 0.058 -21.133 -6.803 280 H1 G 26 H1 G 26 1.802 -17.208 -2.099 281 1H2 G 26 1H2 G 26 2.802 -18.355 -0.484 282 2H2 G 26 2H2 G 26 3.038 -20.087 -0.572 283 1H5* U 27 2H5* U 27 0.604 -25.291 -1.368 284 2H5* U 27 1H5* U 27 -0.735 -26.152 -0.583 285 H4* U 27 H4* U 27 0.404 -24.859 1.111 286 H3* U 27 H3* U 27 -2.296 -23.810 0.212 287 H2* U 27 H2* U 27 -2.104 -21.984 1.711 288 2HO* U 27 HO2* U 27 0.223 -22.406 2.962 289 H1* U 27 H1* U 27 0.520 -21.398 1.278 290 H3 U 27 H3 U 27 -1.460 -17.966 -0.835 291 H5 U 27 H5 U 27 -2.499 -21.298 -3.198 292 H6 U 27 H6 U 27 -1.442 -22.721 -1.541 293 1H5* A 28 2H5* A 28 -1.509 -22.860 4.444 294 2H5* A 28 1H5* A 28 -2.967 -23.417 5.287 295 H4* A 28 H4* A 28 -2.372 -21.021 5.769 296 H3* A 28 H3* A 28 -5.008 -21.879 4.575 297 H2* A 28 H2* A 28 -5.657 -19.698 4.153 298 2HO* A 28 HO2* A 28 -4.194 -18.107 5.653 299 H1* A 28 H1* A 28 -3.096 -18.441 4.155 300 H8 A 28 H8 A 28 -4.038 -21.053 1.531 301 1H6 A 28 1H6 A 28 -5.876 -16.329 -1.970 302 2H6 A 28 2H6 A 28 -5.599 -18.056 -1.922 303 H2 A 28 H2 A 28 -4.814 -14.722 2.090 304 1H5* U 29 2H5* U 29 -4.781 -18.633 7.876 305 2H5* U 29 1H5* U 29 -6.044 -19.070 9.043 306 H4* U 29 H4* U 29 -6.126 -16.688 8.828 307 H3* U 29 H3* U 29 -8.314 -18.118 7.273 308 H2* U 29 H2* U 29 -9.192 -15.985 6.681 309 2HO* U 29 HO2* U 29 -8.028 -15.258 9.015 310 H1* U 29 H1* U 29 -6.811 -14.791 6.099 311 H3 U 29 H3 U 29 -8.809 -15.405 2.072 312 H5 U 29 H5 U 29 -7.509 -19.259 3.175 313 H6 U 29 H6 U 29 -6.880 -18.358 5.342 314 1H5* C 30 2H5* C 30 -9.639 -14.548 8.903 315 2H5* C 30 1H5* C 30 -11.303 -14.705 9.498 316 H4* C 30 H4* C 30 -10.940 -12.965 7.669 317 H3* C 30 H3* C 30 -12.930 -15.251 7.373 318 H2* C 30 H2* C 30 -13.587 -14.312 5.319 319 2HO* C 30 HO2* C 30 -13.224 -12.147 4.799 320 H1* C 30 H1* C 30 -11.094 -13.292 4.576 321 1H4 C 30 1H4 C 30 -12.362 -18.227 0.772 322 2H4 C 30 2H4 C 30 -11.804 -19.332 2.003 323 H5 C 30 H5 C 30 -11.164 -18.628 4.214 324 H6 C 30 H6 C 30 -10.933 -16.715 5.723 325 1H5* U 31 2H5* U 31 -14.459 -11.360 5.797 326 2H5* U 31 1H5* U 31 -16.134 -11.296 6.380 327 H4* U 31 H4* U 31 -15.928 -11.016 3.892 328 H3* U 31 H3* U 31 -17.471 -13.333 5.101 329 H2* U 31 H2* U 31 -17.952 -14.147 2.966 330 2HO* U 31 HO2* U 31 -18.607 -12.806 1.469 331 H1* U 31 H1* U 31 -15.686 -13.117 1.613 332 H3 U 31 H3 U 31 -15.662 -17.495 0.506 333 H5 U 31 H5 U 31 -14.996 -17.513 4.660 334 H6 U 31 H6 U 31 -15.355 -15.117 4.663 335 1H5* C 32 2H5* C 32 -19.423 -11.133 1.709 336 2H5* C 32 1H5* C 32 -21.093 -10.807 2.211 337 H4* C 32 H4* C 32 -21.139 -11.635 -0.066 338 H3* C 32 H3* C 32 -22.001 -13.641 2.040 339 H2* C 32 H2* C 32 -22.519 -15.164 0.350 340 2HO* C 32 HO2* C 32 -22.848 -12.834 -1.168 341 H1* C 32 H1* C 32 -20.455 -14.412 -1.406 342 1H4 C 32 1H4 C 32 -18.743 -20.015 1.056 343 2H4 C 32 2H4 C 32 -18.526 -19.299 2.638 344 H5 C 32 H5 C 32 -19.013 -16.992 3.121 345 H6 C 32 H6 C 32 -19.820 -14.872 2.192 346 H3T C 32 H3T C 32 -23.554 -12.170 1.918 347 1H GLY 364 1HT GLY 364 -8.494 2.872 -23.397 348 2H GLY 364 2HT GLY 364 -8.794 1.210 -23.502 349 3H GLY 364 3HT GLY 364 -7.323 1.765 -22.878 350 1HA GLY 364 1HA GLY 364 -9.557 2.849 -21.463 351 2HA GLY 364 2HA GLY 364 -9.544 1.092 -21.434 352 H SER 365 H SER 365 -9.224 1.448 -19.104 353 HA SER 365 HA SER 365 -7.949 1.596 -17.216 354 1HB SER 365 2HB SER 365 -5.471 0.721 -17.774 355 2HB SER 365 1HB SER 365 -6.856 -0.364 -17.663 356 HG SER 365 HG SER 365 -6.306 -0.884 -19.623 357 H LEU 366 H LEU 366 -8.048 3.889 -17.128 358 HA LEU 366 HA LEU 366 -6.305 5.659 -18.387 359 1HB LEU 366 2HB LEU 366 -8.427 5.972 -16.816 360 2HB LEU 366 1HB LEU 366 -7.182 6.248 -15.614 361 HG LEU 366 HG LEU 366 -6.343 8.145 -16.779 362 1HD1 LEU 366 1HD1 LEU 366 -8.094 7.207 -19.032 363 2HD1 LEU 366 2HD1 LEU 366 -6.349 7.465 -19.034 364 3HD1 LEU 366 3HD1 LEU 366 -7.445 8.845 -18.953 365 1HD2 LEU 366 1HD2 LEU 366 -8.002 9.505 -16.155 366 2HD2 LEU 366 2HD2 LEU 366 -8.884 8.035 -15.742 367 3HD2 LEU 366 3HD2 LEU 366 -9.132 8.801 -17.311 368 H ASP 367 H ASP 367 -5.685 3.431 -15.874 369 HA ASP 367 HA ASP 367 -3.780 4.480 -14.256 370 1HB ASP 367 2HB ASP 367 -2.508 2.197 -14.711 371 2HB ASP 367 1HB ASP 367 -4.056 2.217 -13.875 372 H MET 368 H MET 368 -2.852 2.859 -17.262 373 HA MET 368 HA MET 368 -0.316 3.544 -17.646 374 1HB MET 368 2HB MET 368 -1.170 2.390 -19.442 375 2HB MET 368 1HB MET 368 -2.623 3.370 -19.520 376 1HG MET 368 2HG MET 368 -0.538 5.093 -20.234 377 2HG MET 368 1HG MET 368 -0.188 3.566 -21.032 378 1HE MET 368 1HE MET 368 -2.668 6.470 -20.524 379 2HE MET 368 2HE MET 368 -3.795 5.157 -20.175 380 3HE MET 368 3HE MET 368 -3.981 6.113 -21.645 381 H ASN 369 H ASN 369 -2.978 5.728 -18.603 382 HA ASN 369 HA ASN 369 -1.459 7.907 -19.355 383 1HB ASN 369 2HB ASN 369 -4.230 7.426 -18.595 384 2HB ASN 369 1HB ASN 369 -3.685 9.034 -18.127 385 1HD2 ASN 369 1HD2 ASN 369 -5.165 7.389 -20.487 386 2HD2 ASN 369 2HD2 ASN 369 -4.757 8.362 -21.851 387 H ALA 370 H ALA 370 -2.907 7.332 -16.136 388 HA ALA 370 HA ALA 370 -1.953 9.476 -14.759 389 1HB ALA 370 1HB ALA 370 -3.191 7.203 -14.000 390 2HB ALA 370 2HB ALA 370 -2.496 8.365 -12.870 391 3HB ALA 370 3HB ALA 370 -1.586 6.926 -13.324 392 H LYS 371 H LYS 371 -0.221 6.372 -14.453 393 HA LYS 371 HA LYS 371 2.140 7.168 -13.485 394 1HB LYS 371 2HB LYS 371 2.161 5.345 -15.876 395 2HB LYS 371 1HB LYS 371 3.160 5.271 -14.432 396 1HG LYS 371 2HG LYS 371 1.776 3.708 -13.693 397 2HG LYS 371 1HG LYS 371 0.578 4.984 -13.477 398 1HD LYS 371 2HD LYS 371 -0.655 3.675 -14.841 399 2HD LYS 371 1HD LYS 371 0.272 4.485 -16.106 400 1HE LYS 371 2HE LYS 371 0.191 2.020 -16.368 401 2HE LYS 371 1HE LYS 371 1.828 2.653 -16.208 402 1HZ LYS 371 1HZ LYS 371 0.933 0.593 -14.814 403 2HZ LYS 371 2HZ LYS 371 0.514 1.836 -13.746 404 3HZ LYS 371 3HZ LYS 371 2.123 1.645 -14.230 405 H ARG 372 H ARG 372 1.081 7.590 -16.798 406 HA ARG 372 HA ARG 372 3.464 8.523 -17.925 407 1HB ARG 372 2HB ARG 372 1.096 7.932 -18.954 408 2HB ARG 372 1HB ARG 372 0.837 9.662 -18.781 409 1HG ARG 372 2HG ARG 372 3.340 8.768 -20.103 410 2HG ARG 372 1HG ARG 372 1.821 8.596 -20.988 411 1HD ARG 372 2HD ARG 372 1.358 10.934 -20.787 412 2HD ARG 372 1HD ARG 372 2.719 11.161 -19.691 413 HE ARG 372 HE ARG 372 3.379 10.159 -22.328 414 1HH1 ARG 372 1HH1 ARG 372 3.062 12.930 -20.239 415 2HH1 ARG 372 2HH1 ARG 372 4.083 13.939 -21.209 416 1HH2 ARG 372 1HH2 ARG 372 4.720 11.482 -23.613 417 2HH2 ARG 372 2HH2 ARG 372 5.024 13.117 -23.127 418 H GLN 373 H GLN 373 0.700 10.390 -16.657 419 HA GLN 373 HA GLN 373 1.722 12.933 -16.930 420 1HB GLN 373 2HB GLN 373 -0.574 12.038 -15.984 421 2HB GLN 373 1HB GLN 373 0.221 12.239 -14.428 422 1HG GLN 373 2HG GLN 373 -0.140 14.397 -16.499 423 2HG GLN 373 1HG GLN 373 -1.131 14.184 -15.059 424 1HE2 GLN 373 1HE2 GLN 373 1.087 13.436 -13.355 425 2HE2 GLN 373 2HE2 GLN 373 1.992 14.876 -13.063 426 H LEU 374 H LEU 374 2.469 10.501 -14.549 427 HA LEU 374 HA LEU 374 3.836 12.203 -12.732 428 1HB LEU 374 2HB LEU 374 3.887 9.224 -13.143 429 2HB LEU 374 1HB LEU 374 4.748 10.033 -11.848 430 HG LEU 374 HG LEU 374 2.263 9.005 -11.599 431 1HD1 LEU 374 1HD1 LEU 374 3.686 11.221 -10.199 432 2HD1 LEU 374 2HD1 LEU 374 3.369 9.572 -9.667 433 3HD1 LEU 374 3HD1 LEU 374 2.063 10.755 -9.691 434 1HD2 LEU 374 1HD2 LEU 374 0.677 10.891 -11.510 435 2HD2 LEU 374 2HD2 LEU 374 1.234 10.553 -13.148 436 3HD2 LEU 374 3HD2 LEU 374 1.894 11.925 -12.257 437 H TYR 375 H TYR 375 5.403 9.488 -14.410 438 HA TYR 375 HA TYR 375 7.916 10.880 -14.348 439 1HB TYR 375 2HB TYR 375 7.021 8.165 -15.215 440 2HB TYR 375 1HB TYR 375 8.607 8.750 -15.706 441 HD1 TYR 375 HD1 TYR 375 7.006 9.585 -12.489 442 HD2 TYR 375 HD2 TYR 375 9.903 7.175 -14.467 443 HE1 TYR 375 HE1 TYR 375 7.925 8.911 -10.309 444 HE2 TYR 375 HE2 TYR 375 10.828 6.494 -12.291 445 HH TYR 375 HH TYR 375 9.886 8.012 -9.333 446 H SER 376 H SER 376 5.533 11.606 -16.256 447 HA SER 376 HA SER 376 7.286 11.973 -18.593 448 1HB SER 376 2HB SER 376 5.242 10.274 -18.726 449 2HB SER 376 1HB SER 376 4.358 11.762 -19.065 450 HG SER 376 HG SER 376 6.463 11.933 -20.549 451 H LEU 377 H LEU 377 4.825 13.334 -16.515 452 HA LEU 377 HA LEU 377 5.027 15.844 -18.036 453 1HB LEU 377 2HB LEU 377 2.790 14.470 -16.958 454 2HB LEU 377 1HB LEU 377 2.963 15.978 -16.081 455 HG LEU 377 HG LEU 377 3.126 17.070 -18.420 456 1HD1 LEU 377 1HD1 LEU 377 1.806 15.819 -20.126 457 2HD1 LEU 377 2HD1 LEU 377 1.929 14.393 -19.095 458 3HD1 LEU 377 3HD1 LEU 377 3.386 15.122 -19.770 459 1HD2 LEU 377 1HD2 LEU 377 0.582 16.999 -18.601 460 2HD2 LEU 377 2HD2 LEU 377 1.271 17.593 -17.090 461 3HD2 LEU 377 3HD2 LEU 377 0.631 15.953 -17.183 462 H ILE 378 H ILE 378 5.896 14.351 -15.066 463 HA ILE 378 HA ILE 378 6.735 16.972 -14.049 464 HB ILE 378 HB ILE 378 5.745 14.742 -12.272 465 1HG1 ILE 378 2HG1 ILE 378 3.814 15.424 -13.485 466 2HG1 ILE 378 1HG1 ILE 378 3.737 16.261 -11.939 467 1HG2 ILE 378 1HG2 ILE 378 5.529 17.267 -11.058 468 2HG2 ILE 378 2HG2 ILE 378 7.115 17.216 -11.827 469 3HG2 ILE 378 3HG2 ILE 378 6.658 15.969 -10.666 470 1HD1 ILE 378 1HD1 ILE 378 5.134 17.925 -13.748 471 2HD1 ILE 378 2HD1 ILE 378 3.557 18.184 -13.003 472 3HD1 ILE 378 3HD1 ILE 378 3.675 17.348 -14.552 473 H GLY 379 H GLY 379 7.046 13.486 -13.372 474 1HA GLY 379 2HA GLY 379 9.561 13.523 -12.236 475 2HA GLY 379 1HA GLY 379 8.887 12.158 -13.114 476 H TYR 380 H TYR 380 11.596 13.356 -12.956 477 HA TYR 380 HA TYR 380 12.129 13.321 -15.822 478 1HB TYR 380 2HB TYR 380 13.738 15.253 -15.545 479 2HB TYR 380 1HB TYR 380 12.027 15.663 -15.480 480 HD1 TYR 380 HD1 TYR 380 15.086 16.319 -14.024 481 HD2 TYR 380 HD2 TYR 380 11.055 15.494 -12.946 482 HE1 TYR 380 HE1 TYR 380 15.443 17.434 -11.862 483 HE2 TYR 380 HE2 TYR 380 11.398 16.606 -10.782 484 HH TYR 380 HH TYR 380 14.536 18.048 -9.933 485 H ALA 381 H ALA 381 13.627 13.537 -12.597 486 HA ALA 381 HA ALA 381 15.054 11.190 -12.715 487 1HB ALA 381 1HB ALA 381 16.934 11.470 -13.880 488 2HB ALA 381 2HB ALA 381 17.210 13.079 -13.214 489 3HB ALA 381 3HB ALA 381 16.139 12.870 -14.599 490 H SER 382 H SER 382 14.840 14.467 -11.595 491 HA SER 382 HA SER 382 16.277 13.718 -9.138 492 1HB SER 382 2HB SER 382 16.226 16.170 -10.737 493 2HB SER 382 1HB SER 382 15.958 16.457 -9.018 494 HG SER 382 HG SER 382 18.201 15.415 -10.327 495 H LEU 383 H LEU 383 13.227 14.131 -10.389 496 HA LEU 383 HA LEU 383 11.766 15.564 -8.568 497 1HB LEU 383 2HB LEU 383 11.186 13.819 -10.632 498 2HB LEU 383 1HB LEU 383 10.477 13.033 -9.235 499 HG LEU 383 HG LEU 383 9.714 15.575 -10.566 500 1HD1 LEU 383 1HD1 LEU 383 8.532 13.033 -9.868 501 2HD1 LEU 383 2HD1 LEU 383 7.985 14.254 -11.017 502 3HD1 LEU 383 3HD1 LEU 383 7.541 14.384 -9.315 503 1HD2 LEU 383 1HD2 LEU 383 9.730 15.133 -7.618 504 2HD2 LEU 383 2HD2 LEU 383 8.383 16.005 -8.349 505 3HD2 LEU 383 3HD2 LEU 383 10.030 16.607 -8.539 506 H ARG 384 H ARG 384 12.608 12.109 -8.327 507 HA ARG 384 HA ARG 384 13.011 10.824 -6.472 508 1HB ARG 384 2HB ARG 384 13.861 13.046 -5.504 509 2HB ARG 384 1HB ARG 384 12.287 13.174 -4.732 510 1HG ARG 384 2HG ARG 384 13.951 12.262 -3.214 511 2HG ARG 384 1HG ARG 384 12.682 11.083 -3.549 512 1HD ARG 384 2HD ARG 384 14.104 9.657 -4.546 513 2HD ARG 384 1HD ARG 384 14.967 10.952 -5.378 514 HE ARG 384 HE ARG 384 15.468 10.694 -2.528 515 1HH1 ARG 384 1HH1 ARG 384 16.511 9.984 -5.778 516 2HH1 ARG 384 2HH1 ARG 384 18.145 9.643 -5.315 517 1HH2 ARG 384 1HH2 ARG 384 17.618 10.247 -1.914 518 2HH2 ARG 384 2HH2 ARG 384 18.773 9.792 -3.122 519 H LEU 385 H LEU 385 10.235 11.986 -7.557 520 HA LEU 385 HA LEU 385 8.269 11.697 -5.666 521 1HB LEU 385 2HB LEU 385 8.137 12.300 -8.186 522 2HB LEU 385 1HB LEU 385 7.924 10.578 -8.427 523 HG LEU 385 HG LEU 385 6.139 11.940 -6.473 524 1HD1 LEU 385 1HD1 LEU 385 4.800 12.021 -8.923 525 2HD1 LEU 385 2HD1 LEU 385 6.380 12.747 -9.222 526 3HD1 LEU 385 3HD1 LEU 385 5.340 13.390 -7.952 527 1HD2 LEU 385 1HD2 LEU 385 4.769 10.162 -6.835 528 2HD2 LEU 385 2HD2 LEU 385 6.311 9.408 -7.245 529 3HD2 LEU 385 3HD2 LEU 385 5.249 9.997 -8.525 530 H HIS 386 H HIS 386 7.289 10.080 -4.629 531 HA HIS 386 HA HIS 386 7.670 7.330 -5.487 532 1HB HIS 386 2HB HIS 386 8.721 6.542 -3.474 533 2HB HIS 386 1HB HIS 386 9.698 7.840 -4.148 534 HD1 HIS 386 HD1 HIS 386 10.346 9.632 -2.563 535 HD2 HIS 386 HD2 HIS 386 7.036 7.500 -1.235 536 HE1 HIS 386 HE1 HIS 386 9.857 10.517 -0.262 537 HE2 HIS 386 HE2 HIS 386 7.918 9.135 0.565 538 H TYR 387 H TYR 387 6.033 6.044 -4.968 539 HA TYR 387 HA TYR 387 3.850 7.169 -3.398 540 1HB TYR 387 2HB TYR 387 4.066 4.816 -5.269 541 2HB TYR 387 1HB TYR 387 2.653 5.062 -4.245 542 HD1 TYR 387 HD1 TYR 387 4.786 7.190 -6.443 543 HD2 TYR 387 HD2 TYR 387 0.861 5.986 -5.346 544 HE1 TYR 387 HE1 TYR 387 3.860 8.714 -8.120 545 HE2 TYR 387 HE2 TYR 387 -0.086 7.509 -7.025 546 HH TYR 387 HH TYR 387 0.558 9.536 -8.243 547 H VAL 388 H VAL 388 3.056 6.280 -1.552 548 HA VAL 388 HA VAL 388 4.500 3.961 -0.458 549 HB VAL 388 HB VAL 388 3.598 5.408 1.747 550 1HG1 VAL 388 1HG1 VAL 388 5.658 4.026 1.430 551 2HG1 VAL 388 2HG1 VAL 388 5.915 5.538 2.305 552 3HG1 VAL 388 3HG1 VAL 388 6.388 5.407 0.610 553 1HG2 VAL 388 1HG2 VAL 388 4.415 7.627 1.522 554 2HG2 VAL 388 2HG2 VAL 388 3.356 7.338 0.140 555 3HG2 VAL 388 3HG2 VAL 388 5.108 7.283 -0.063 556 H THR 389 H THR 389 3.240 2.326 0.064 557 HA THR 389 HA THR 389 0.368 2.635 -0.012 558 HB THR 389 HB THR 389 2.164 0.243 0.326 559 HG1 THR 389 HG1 THR 389 1.916 0.739 -1.805 560 1HG2 THR 389 1HG2 THR 389 0.240 -1.189 0.468 561 2HG2 THR 389 2HG2 THR 389 -0.851 0.186 0.315 562 3HG2 THR 389 3HG2 THR 389 0.135 0.002 1.766 563 H VAL 390 H VAL 390 -0.955 2.785 1.679 564 HA VAL 390 HA VAL 390 0.079 2.094 4.334 565 HB VAL 390 HB VAL 390 -1.036 4.117 5.271 566 1HG1 VAL 390 1HG1 VAL 390 0.807 5.502 3.586 567 2HG1 VAL 390 2HG1 VAL 390 1.445 3.898 3.946 568 3HG1 VAL 390 3HG1 VAL 390 1.006 4.988 5.261 569 1HG2 VAL 390 1HG2 VAL 390 -1.570 4.570 2.385 570 2HG2 VAL 390 2HG2 VAL 390 -1.225 5.972 3.398 571 3HG2 VAL 390 3HG2 VAL 390 -2.579 4.909 3.792 572 H LYS 391 H LYS 391 -1.605 1.821 5.945 573 HA LYS 391 HA LYS 391 -3.619 1.077 6.706 574 1HB LYS 391 2HB LYS 391 -4.508 2.911 5.174 575 2HB LYS 391 1HB LYS 391 -4.769 1.648 3.981 576 1HG LYS 391 2HG LYS 391 -6.516 2.484 5.994 577 2HG LYS 391 1HG LYS 391 -6.706 1.110 4.908 578 1HD LYS 391 2HD LYS 391 -5.488 -0.300 6.532 579 2HD LYS 391 1HD LYS 391 -5.392 1.080 7.627 580 1HE LYS 391 2HE LYS 391 -7.983 1.135 7.321 581 2HE LYS 391 1HE LYS 391 -7.767 -0.539 6.810 582 1HZ LYS 391 1HZ LYS 391 -7.051 -1.174 8.885 583 2HZ LYS 391 2HZ LYS 391 -8.205 -0.003 9.286 584 3HZ LYS 391 3HZ LYS 391 -6.559 0.385 9.329 585 H LYS 392 H LYS 392 -1.872 -0.774 6.079 586 HA LYS 392 HA LYS 392 -1.887 -2.630 4.249 587 1HB LYS 392 2HB LYS 392 -2.423 -3.372 7.128 588 2HB LYS 392 1HB LYS 392 -1.655 -4.388 5.916 589 1HG LYS 392 2HG LYS 392 -0.562 -1.813 7.033 590 2HG LYS 392 1HG LYS 392 -0.007 -3.444 7.417 591 1HD LYS 392 2HD LYS 392 0.201 -3.488 4.728 592 2HD LYS 392 1HD LYS 392 0.499 -1.776 5.036 593 1HE LYS 392 2HE LYS 392 2.595 -2.292 5.562 594 2HE LYS 392 1HE LYS 392 1.980 -3.169 6.963 595 1HZ LYS 392 1HZ LYS 392 2.560 -4.261 4.268 596 2HZ LYS 392 2HZ LYS 392 1.725 -5.125 5.458 597 3HZ LYS 392 3HZ LYS 392 3.326 -4.651 5.725 598 HA PRO 393 HA PRO 393 -6.041 -3.832 3.329 599 1HB PRO 393 2HB PRO 393 -5.006 -6.264 2.120 600 2HB PRO 393 1HB PRO 393 -5.784 -4.882 1.351 601 1HG PRO 393 2HG PRO 393 -3.137 -5.454 1.059 602 2HG PRO 393 1HG PRO 393 -3.802 -3.817 0.951 603 1HD PRO 393 2HD PRO 393 -2.329 -5.123 3.192 604 2HD PRO 393 1HD PRO 393 -2.286 -3.437 2.640 605 H THR 394 H THR 394 -7.543 -5.482 3.715 606 HA THR 394 HA THR 394 -6.745 -7.445 5.772 607 HB THR 394 HB THR 394 -9.192 -7.058 6.619 608 HG1 THR 394 HG1 THR 394 -10.134 -5.259 5.978 609 1HG2 THR 394 1HG2 THR 394 -7.079 -4.975 7.155 610 2HG2 THR 394 2HG2 THR 394 -7.097 -6.587 7.869 611 3HG2 THR 394 3HG2 THR 394 -8.398 -5.450 8.224 612 H ALA 395 H ALA 395 -8.158 -9.302 5.993 613 HA ALA 395 HA ALA 395 -9.127 -10.209 3.409 614 1HB ALA 395 1HB ALA 395 -7.993 -11.479 5.678 615 2HB ALA 395 2HB ALA 395 -8.400 -12.178 4.111 616 3HB ALA 395 3HB ALA 395 -9.596 -12.159 5.406 617 H VAL 396 H VAL 396 -10.450 -8.231 5.350 618 HA VAL 396 HA VAL 396 -13.151 -9.249 4.985 619 HB VAL 396 HB VAL 396 -13.826 -8.431 7.229 620 1HG1 VAL 396 1HG1 VAL 396 -13.691 -10.636 7.574 621 2HG1 VAL 396 2HG1 VAL 396 -12.165 -10.293 8.389 622 3HG1 VAL 396 3HG1 VAL 396 -12.171 -10.767 6.690 623 1HG2 VAL 396 1HG2 VAL 396 -11.003 -7.645 7.286 624 2HG2 VAL 396 2HG2 VAL 396 -11.573 -8.432 8.760 625 3HG2 VAL 396 3HG2 VAL 396 -12.384 -6.984 8.162 626 H ASP 397 H ASP 397 -11.100 -7.165 4.066 627 HA ASP 397 HA ASP 397 -12.724 -5.212 3.079 628 1HB ASP 397 2HB ASP 397 -12.156 -4.782 5.904 629 2HB ASP 397 1HB ASP 397 -11.587 -3.442 4.914 630 HA PRO 398 HA PRO 398 -8.138 -5.859 1.905 631 1HB PRO 398 2HB PRO 398 -9.683 -5.416 -0.624 632 2HB PRO 398 1HB PRO 398 -8.284 -6.453 -0.334 633 1HG PRO 398 2HG PRO 398 -10.733 -7.484 -0.441 634 2HG PRO 398 1HG PRO 398 -9.543 -8.082 0.729 635 1HD PRO 398 2HD PRO 398 -11.948 -6.407 1.170 636 2HD PRO 398 1HD PRO 398 -11.129 -7.527 2.276 637 H ASN 399 H ASN 399 -10.601 -3.500 1.070 638 HA ASN 399 HA ASN 399 -9.537 -1.528 -0.268 639 1HB ASN 399 2HB ASN 399 -10.600 0.128 1.286 640 2HB ASN 399 1HB ASN 399 -11.653 -1.197 0.795 641 1HD2 ASN 399 1HD2 ASN 399 -9.807 0.191 3.389 642 2HD2 ASN 399 2HD2 ASN 399 -10.532 -0.724 4.661 643 H SER 400 H SER 400 -7.652 -0.553 -0.402 644 HA SER 400 HA SER 400 -6.180 0.074 2.065 645 1HB SER 400 2HB SER 400 -4.608 -1.419 1.464 646 2HB SER 400 1HB SER 400 -5.343 -1.654 -0.122 647 HG SER 400 HG SER 400 -3.912 -0.361 -0.951 648 H ILE 401 H ILE 401 -4.867 1.956 1.975 649 HA ILE 401 HA ILE 401 -5.624 3.779 -0.199 650 HB ILE 401 HB ILE 401 -6.397 4.651 1.839 651 1HG1 ILE 401 2HG1 ILE 401 -4.047 6.286 2.153 652 2HG1 ILE 401 1HG1 ILE 401 -4.358 6.007 0.449 653 1HG2 ILE 401 1HG2 ILE 401 -4.609 4.995 3.729 654 2HG2 ILE 401 2HG2 ILE 401 -3.860 3.612 2.934 655 3HG2 ILE 401 3HG2 ILE 401 -5.504 3.485 3.557 656 1HD1 ILE 401 1HD1 ILE 401 -6.064 7.406 0.438 657 2HD1 ILE 401 2HD1 ILE 401 -5.538 7.912 2.044 658 3HD1 ILE 401 3HD1 ILE 401 -6.776 6.667 1.872 659 H VAL 402 H VAL 402 -4.027 5.152 -1.118 660 HA VAL 402 HA VAL 402 -1.249 4.234 -0.735 661 HB VAL 402 HB VAL 402 -1.855 5.438 -3.336 662 1HG1 VAL 402 1HG1 VAL 402 -0.061 4.279 -3.899 663 2HG1 VAL 402 2HG1 VAL 402 -0.810 2.763 -3.401 664 3HG1 VAL 402 3HG1 VAL 402 0.055 3.747 -2.220 665 1HG2 VAL 402 1HG2 VAL 402 -3.900 4.365 -3.413 666 2HG2 VAL 402 2HG2 VAL 402 -3.342 3.010 -2.432 667 3HG2 VAL 402 3HG2 VAL 402 -2.827 3.150 -4.113 668 H GLU 403 H GLU 403 0.407 5.874 -1.044 669 HA GLU 403 HA GLU 403 -0.626 8.630 -0.910 670 1HB GLU 403 2HB GLU 403 1.202 7.174 0.889 671 2HB GLU 403 1HB GLU 403 1.751 8.775 0.413 672 1HG GLU 403 2HG GLU 403 -0.502 9.635 1.137 673 2HG GLU 403 1HG GLU 403 -0.785 8.045 1.842 674 H CYS 404 H CYS 404 0.273 10.039 -2.281 675 HA CYS 404 HA CYS 404 2.620 9.132 -3.814 676 1HB CYS 404 2HB CYS 404 1.442 11.094 -5.358 677 2HB CYS 404 1HB CYS 404 1.270 9.360 -5.603 678 HG CYS 404 HG CYS 404 -0.901 9.923 -3.815 679 H ARG 405 H ARG 405 4.394 10.235 -3.257 680 HA ARG 405 HA ARG 405 4.169 13.117 -2.904 681 1HB ARG 405 2HB ARG 405 5.034 13.218 -0.771 682 2HB ARG 405 1HB ARG 405 4.060 11.757 -0.669 683 1HG ARG 405 2HG ARG 405 6.234 10.522 -1.286 684 2HG ARG 405 1HG ARG 405 7.034 12.028 -0.829 685 1HD ARG 405 2HD ARG 405 5.066 11.231 1.135 686 2HD ARG 405 1HD ARG 405 6.258 9.960 0.865 687 HE ARG 405 HE ARG 405 7.537 12.466 1.180 688 1HH1 ARG 405 1HH1 ARG 405 5.895 9.977 2.984 689 2HH1 ARG 405 2HH1 ARG 405 6.725 10.322 4.464 690 1HH2 ARG 405 1HH2 ARG 405 8.631 12.928 3.128 691 2HH2 ARG 405 2HH2 ARG 405 8.278 11.999 4.547 692 H VAL 406 H VAL 406 6.736 13.588 -2.003 693 HA VAL 406 HA VAL 406 8.541 12.346 -3.935 694 HB VAL 406 HB VAL 406 9.325 14.874 -4.322 695 1HG1 VAL 406 1HG1 VAL 406 8.933 13.518 -6.183 696 2HG1 VAL 406 2HG1 VAL 406 7.764 14.829 -6.366 697 3HG1 VAL 406 3HG1 VAL 406 7.241 13.259 -5.749 698 1HG2 VAL 406 1HG2 VAL 406 6.370 15.007 -3.774 699 2HG2 VAL 406 2HG2 VAL 406 7.254 16.243 -4.671 700 3HG2 VAL 406 3HG2 VAL 406 7.653 15.925 -2.982 701 H GLY 407 H GLY 407 10.680 12.399 -3.364 702 1HA GLY 407 2HA GLY 407 11.533 12.220 -0.840 703 2HA GLY 407 1HA GLY 407 12.567 12.861 -2.105 704 H ASP 408 H ASP 408 10.870 15.258 -2.441 705 HA ASP 408 HA ASP 408 12.207 16.941 -0.606 706 1HB ASP 408 2HB ASP 408 11.631 17.901 -2.689 707 2HB ASP 408 1HB ASP 408 9.952 17.388 -2.553 708 H GLY 409 H GLY 409 9.551 14.966 -0.181 709 1HA GLY 409 2HA GLY 409 8.360 14.664 1.801 710 2HA GLY 409 1HA GLY 409 8.922 16.237 2.352 711 H THR 410 H THR 410 7.328 15.457 -0.704 712 HA THR 410 HA THR 410 5.015 17.057 0.191 713 HB THR 410 HB THR 410 6.403 17.228 -2.484 714 HG1 THR 410 HG1 THR 410 5.824 19.377 -0.739 715 1HG2 THR 410 1HG2 THR 410 4.457 19.209 -2.341 716 2HG2 THR 410 2HG2 THR 410 3.652 17.752 -1.759 717 3HG2 THR 410 3HG2 THR 410 4.419 17.760 -3.348 718 H VAL 411 H VAL 411 3.247 15.880 0.174 719 HA VAL 411 HA VAL 411 2.996 13.518 -1.510 720 HB VAL 411 HB VAL 411 1.216 14.715 0.615 721 1HG1 VAL 411 1HG1 VAL 411 0.720 12.441 -1.273 722 2HG1 VAL 411 2HG1 VAL 411 -0.347 13.773 -0.830 723 3HG1 VAL 411 3HG1 VAL 411 -0.026 12.479 0.324 724 1HG2 VAL 411 1HG2 VAL 411 2.495 12.004 0.636 725 2HG2 VAL 411 2HG2 VAL 411 1.905 12.966 1.991 726 3HG2 VAL 411 3HG2 VAL 411 3.386 13.435 1.155 727 H LEU 412 H LEU 412 2.377 13.840 -3.569 728 HA LEU 412 HA LEU 412 1.047 16.160 -4.483 729 1HB LEU 412 2HB LEU 412 1.095 13.488 -5.879 730 2HB LEU 412 1HB LEU 412 0.885 15.065 -6.612 731 HG LEU 412 HG LEU 412 3.068 14.645 -7.165 732 1HD1 LEU 412 1HD1 LEU 412 4.009 16.426 -6.251 733 2HD1 LEU 412 2HD1 LEU 412 4.241 15.563 -4.733 734 3HD1 LEU 412 3HD1 LEU 412 2.747 16.447 -5.024 735 1HD2 LEU 412 1HD2 LEU 412 2.871 12.620 -5.293 736 2HD2 LEU 412 2HD2 LEU 412 4.196 13.625 -4.704 737 3HD2 LEU 412 3HD2 LEU 412 4.253 12.958 -6.336 738 H GLY 413 H GLY 413 -0.069 13.002 -3.427 739 1HA GLY 413 2HA GLY 413 -2.660 13.970 -2.842 740 2HA GLY 413 1HA GLY 413 -2.695 13.113 -4.375 741 H THR 414 H THR 414 -4.102 11.572 -3.445 742 HA THR 414 HA THR 414 -2.812 9.266 -2.458 743 HB THR 414 HB THR 414 -2.797 10.573 -0.347 744 HG1 THR 414 HG1 THR 414 -3.123 8.203 -0.403 745 1HG2 THR 414 1HG2 THR 414 -5.803 10.427 -0.595 746 2HG2 THR 414 2HG2 THR 414 -4.823 11.889 -0.705 747 3HG2 THR 414 3HG2 THR 414 -4.913 11.000 0.816 748 H GLY 415 H GLY 415 -4.479 7.552 -1.812 749 1HA GLY 415 2HA GLY 415 -7.202 7.989 -2.591 750 2HA GLY 415 1HA GLY 415 -6.292 7.147 -3.836 751 H VAL 416 H VAL 416 -8.447 5.940 -2.744 752 HA VAL 416 HA VAL 416 -7.233 3.670 -1.358 753 HB VAL 416 HB VAL 416 -8.450 5.319 0.245 754 1HG1 VAL 416 1HG1 VAL 416 -10.857 4.853 0.488 755 2HG1 VAL 416 2HG1 VAL 416 -10.801 3.893 -0.990 756 3HG1 VAL 416 3HG1 VAL 416 -10.469 5.624 -1.049 757 1HG2 VAL 416 1HG2 VAL 416 -9.490 3.238 1.432 758 2HG2 VAL 416 2HG2 VAL 416 -7.743 3.345 1.212 759 3HG2 VAL 416 3HG2 VAL 416 -8.708 2.346 0.127 760 H GLY 417 H GLY 417 -8.351 1.676 -1.708 761 1HA GLY 417 2HA GLY 417 -10.737 1.655 -3.337 762 2HA GLY 417 1HA GLY 417 -9.291 1.147 -4.190 763 H ARG 418 H ARG 418 -11.799 -0.262 -3.351 764 HA ARG 418 HA ARG 418 -11.381 -2.080 -1.292 765 1HB ARG 418 2HB ARG 418 -13.069 -3.474 -2.400 766 2HB ARG 418 1HB ARG 418 -13.540 -1.780 -2.368 767 1HG ARG 418 2HG ARG 418 -12.423 -1.760 -4.746 768 2HG ARG 418 1HG ARG 418 -12.764 -3.491 -4.669 769 1HD ARG 418 2HD ARG 418 -15.073 -3.144 -4.489 770 2HD ARG 418 1HD ARG 418 -14.872 -1.451 -4.042 771 HE ARG 418 HE ARG 418 -13.819 -1.720 -6.585 772 1HH1 ARG 418 1HH1 ARG 418 -16.906 -2.133 -5.026 773 2HH1 ARG 418 2HH1 ARG 418 -17.821 -1.755 -6.447 774 1HH2 ARG 418 1HH2 ARG 418 -15.013 -1.221 -8.462 775 2HH2 ARG 418 2HH2 ARG 418 -16.744 -1.237 -8.402 776 H ASN 419 H ASN 419 -10.555 -2.444 -4.737 777 HA ASN 419 HA ASN 419 -9.088 -4.894 -4.092 778 1HB ASN 419 2HB ASN 419 -8.854 -4.773 -6.748 779 2HB ASN 419 1HB ASN 419 -10.281 -5.452 -5.973 780 1HD2 ASN 419 1HD2 ASN 419 -9.024 -2.936 -7.924 781 2HD2 ASN 419 2HD2 ASN 419 -10.515 -2.117 -8.223 782 H ILE 420 H ILE 420 -8.221 -2.393 -3.244 783 HA ILE 420 HA ILE 420 -6.501 -0.927 -3.182 784 HB ILE 420 HB ILE 420 -4.480 -1.892 -2.851 785 1HG1 ILE 420 2HG1 ILE 420 -3.895 -4.154 -3.997 786 2HG1 ILE 420 1HG1 ILE 420 -5.166 -3.728 -5.133 787 1HG2 ILE 420 1HG2 ILE 420 -6.243 -4.331 -2.749 788 2HG2 ILE 420 2HG2 ILE 420 -6.372 -2.997 -1.601 789 3HG2 ILE 420 3HG2 ILE 420 -4.879 -3.934 -1.704 790 1HD1 ILE 420 1HD1 ILE 420 -3.594 -1.444 -4.966 791 2HD1 ILE 420 2HD1 ILE 420 -3.619 -2.627 -6.274 792 3HD1 ILE 420 3HD1 ILE 420 -2.449 -2.785 -4.965 793 H LYS 421 H LYS 421 -6.196 -2.710 -6.299 794 HA LYS 421 HA LYS 421 -4.379 -1.101 -7.539 795 1HB LYS 421 2HB LYS 421 -4.948 -2.720 -9.003 796 2HB LYS 421 1HB LYS 421 -6.610 -2.789 -8.442 797 1HG LYS 421 2HG LYS 421 -5.615 -0.557 -10.175 798 2HG LYS 421 1HG LYS 421 -6.197 -2.082 -10.848 799 1HD LYS 421 2HD LYS 421 -8.177 -1.475 -9.090 800 2HD LYS 421 1HD LYS 421 -7.674 0.129 -9.618 801 1HE LYS 421 2HE LYS 421 -7.918 -0.638 -11.975 802 2HE LYS 421 1HE LYS 421 -8.572 -2.157 -11.364 803 1HZ LYS 421 1HZ LYS 421 -10.532 -1.214 -10.874 804 2HZ LYS 421 2HZ LYS 421 -10.065 -0.042 -12.000 805 3HZ LYS 421 3HZ LYS 421 -9.843 0.239 -10.347 806 H ILE 422 H ILE 422 -7.863 -0.561 -7.258 807 HA ILE 422 HA ILE 422 -8.090 1.828 -8.629 808 HB ILE 422 HB ILE 422 -9.472 1.943 -6.045 809 1HG1 ILE 422 2HG1 ILE 422 -11.089 0.083 -6.866 810 2HG1 ILE 422 1HG1 ILE 422 -9.693 -0.495 -7.775 811 1HG2 ILE 422 1HG2 ILE 422 -11.407 2.345 -7.461 812 2HG2 ILE 422 2HG2 ILE 422 -10.464 1.912 -8.888 813 3HG2 ILE 422 3HG2 ILE 422 -10.038 3.348 -7.951 814 1HD1 ILE 422 1HD1 ILE 422 -8.588 -0.154 -5.337 815 2HD1 ILE 422 2HD1 ILE 422 -9.288 -1.668 -5.917 816 3HD1 ILE 422 3HD1 ILE 422 -10.244 -0.585 -4.905 817 H ALA 423 H ALA 423 -6.915 1.145 -5.390 818 HA ALA 423 HA ALA 423 -6.501 3.818 -4.582 819 1HB ALA 423 1HB ALA 423 -6.254 1.336 -3.412 820 2HB ALA 423 2HB ALA 423 -5.811 2.879 -2.674 821 3HB ALA 423 3HB ALA 423 -4.586 1.910 -3.496 822 H GLY 424 H GLY 424 -4.439 1.411 -6.183 823 1HA GLY 424 2HA GLY 424 -2.101 2.996 -6.304 824 2HA GLY 424 1HA GLY 424 -2.479 1.646 -7.369 825 H ILE 425 H ILE 425 -4.305 2.207 -8.999 826 HA ILE 425 HA ILE 425 -3.363 4.113 -10.785 827 HB ILE 425 HB ILE 425 -6.242 3.233 -10.539 828 1HG1 ILE 425 2HG1 ILE 425 -5.182 1.188 -10.714 829 2HG1 ILE 425 1HG1 ILE 425 -5.363 1.604 -12.414 830 1HG2 ILE 425 1HG2 ILE 425 -6.634 4.295 -12.454 831 2HG2 ILE 425 2HG2 ILE 425 -5.185 3.626 -13.205 832 3HG2 ILE 425 3HG2 ILE 425 -5.076 5.090 -12.228 833 1HD1 ILE 425 1HD1 ILE 425 -2.927 1.487 -10.735 834 2HD1 ILE 425 2HD1 ILE 425 -2.982 2.673 -12.039 835 3HD1 ILE 425 3HD1 ILE 425 -3.188 0.959 -12.398 836 H ARG 426 H ARG 426 -5.684 4.419 -8.171 837 HA ARG 426 HA ARG 426 -6.677 6.979 -8.796 838 1HB ARG 426 2HB ARG 426 -7.849 5.597 -7.213 839 2HB ARG 426 1HB ARG 426 -6.439 5.520 -6.162 840 1HG ARG 426 2HG ARG 426 -7.840 7.044 -5.114 841 2HG ARG 426 1HG ARG 426 -6.684 8.064 -5.975 842 1HD ARG 426 2HD ARG 426 -8.257 8.904 -7.333 843 2HD ARG 426 1HD ARG 426 -9.036 7.337 -7.551 844 HE ARG 426 HE ARG 426 -9.766 7.996 -5.049 845 1HH1 ARG 426 1HH1 ARG 426 -9.843 9.750 -8.054 846 2HH1 ARG 426 2HH1 ARG 426 -11.233 10.689 -7.623 847 1HH2 ARG 426 1HH2 ARG 426 -11.600 9.228 -4.466 848 2HH2 ARG 426 2HH2 ARG 426 -12.231 10.392 -5.582 849 H ALA 427 H ALA 427 -4.043 5.952 -6.617 850 HA ALA 427 HA ALA 427 -3.287 8.426 -5.659 851 1HB ALA 427 1HB ALA 427 -1.515 6.084 -6.340 852 2HB ALA 427 2HB ALA 427 -2.318 6.392 -4.802 853 3HB ALA 427 3HB ALA 427 -1.035 7.466 -5.356 854 H ALA 428 H ALA 428 -2.409 6.849 -8.699 855 HA ALA 428 HA ALA 428 -0.529 8.722 -9.593 856 1HB ALA 428 1HB ALA 428 -0.936 6.507 -10.646 857 2HB ALA 428 2HB ALA 428 -0.877 7.838 -11.803 858 3HB ALA 428 3HB ALA 428 -2.430 7.150 -11.329 859 H GLU 429 H GLU 429 -3.946 8.455 -10.589 860 HA GLU 429 HA GLU 429 -4.131 10.867 -11.948 861 1HB GLU 429 2HB GLU 429 -5.891 8.825 -11.211 862 2HB GLU 429 1HB GLU 429 -6.570 10.275 -10.483 863 1HG GLU 429 2HG GLU 429 -6.201 11.306 -12.841 864 2HG GLU 429 1HG GLU 429 -6.145 9.622 -13.362 865 H ASN 430 H ASN 430 -3.865 10.253 -8.594 866 HA ASN 430 HA ASN 430 -5.049 12.697 -7.682 867 1HB ASN 430 2HB ASN 430 -3.666 10.389 -6.463 868 2HB ASN 430 1HB ASN 430 -3.478 11.918 -5.607 869 1HD2 ASN 430 1HD2 ASN 430 -5.929 9.826 -7.062 870 2HD2 ASN 430 2HD2 ASN 430 -7.166 10.178 -5.908 871 H ALA 431 H ALA 431 -1.752 11.581 -8.358 872 HA ALA 431 HA ALA 431 -0.440 13.879 -7.365 873 1HB ALA 431 1HB ALA 431 1.015 12.112 -7.676 874 2HB ALA 431 2HB ALA 431 1.366 13.113 -9.085 875 3HB ALA 431 3HB ALA 431 0.335 11.691 -9.249 876 H LEU 432 H LEU 432 -1.801 13.005 -10.477 877 HA LEU 432 HA LEU 432 -0.982 15.508 -11.690 878 1HB LEU 432 2HB LEU 432 -2.477 14.582 -13.592 879 2HB LEU 432 1HB LEU 432 -0.935 13.816 -13.258 880 HG LEU 432 HG LEU 432 -3.077 12.582 -11.738 881 1HD1 LEU 432 1HD1 LEU 432 -4.693 12.442 -13.245 882 2HD1 LEU 432 2HD1 LEU 432 -3.583 11.588 -14.317 883 3HD1 LEU 432 3HD1 LEU 432 -3.728 13.343 -14.414 884 1HD2 LEU 432 1HD2 LEU 432 -1.463 11.287 -13.895 885 2HD2 LEU 432 2HD2 LEU 432 -2.006 10.628 -12.352 886 3HD2 LEU 432 3HD2 LEU 432 -0.690 11.800 -12.395 887 H ARG 433 H ARG 433 -3.139 14.923 -9.434 888 HA ARG 433 HA ARG 433 -5.451 16.247 -10.589 889 1HB ARG 433 2HB ARG 433 -5.237 14.343 -8.694 890 2HB ARG 433 1HB ARG 433 -5.296 15.770 -7.669 891 1HG ARG 433 2HG ARG 433 -7.487 15.903 -7.917 892 2HG ARG 433 1HG ARG 433 -7.319 15.965 -9.674 893 1HD ARG 433 2HD ARG 433 -7.098 13.460 -9.633 894 2HD ARG 433 1HD ARG 433 -7.541 13.520 -7.928 895 HE ARG 433 HE ARG 433 -9.299 13.710 -10.147 896 1HH1 ARG 433 1HH1 ARG 433 -8.785 14.897 -6.913 897 2HH1 ARG 433 2HH1 ARG 433 -10.464 15.199 -6.617 898 1HH2 ARG 433 1HH2 ARG 433 -11.511 14.104 -9.771 899 2HH2 ARG 433 2HH2 ARG 433 -12.016 14.747 -8.244 900 H ASP 434 H ASP 434 -2.568 17.291 -9.439 901 HA ASP 434 HA ASP 434 -3.704 19.747 -8.281 902 1HB ASP 434 2HB ASP 434 -0.914 18.622 -7.963 903 2HB ASP 434 1HB ASP 434 -1.530 20.083 -7.198 904 H LYS 435 H LYS 435 -4.102 20.637 -10.366 905 HA LYS 435 HA LYS 435 -2.336 20.906 -12.455 906 1HB LYS 435 2HB LYS 435 -3.851 22.333 -13.348 907 2HB LYS 435 1HB LYS 435 -4.842 21.751 -12.021 908 1HG LYS 435 2HG LYS 435 -4.187 23.707 -10.691 909 2HG LYS 435 1HG LYS 435 -3.236 24.298 -12.056 910 1HD LYS 435 2HD LYS 435 -6.217 23.893 -11.935 911 2HD LYS 435 1HD LYS 435 -5.348 25.423 -12.069 912 1HE LYS 435 2HE LYS 435 -5.628 23.246 -14.123 913 2HE LYS 435 1HE LYS 435 -6.144 24.928 -14.240 914 1HZ LYS 435 1HZ LYS 435 -3.402 23.832 -14.374 915 2HZ LYS 435 2HZ LYS 435 -3.675 25.462 -14.014 916 3HZ LYS 435 3HZ LYS 435 -4.199 24.824 -15.490 917 H LYS 436 H LYS 436 -2.739 23.108 -9.699 918 HA LYS 436 HA LYS 436 -0.776 24.957 -10.457 919 1HB LYS 436 2HB LYS 436 -1.837 24.224 -7.728 920 2HB LYS 436 1HB LYS 436 -0.782 25.598 -8.032 921 1HG LYS 436 2HG LYS 436 -3.245 25.396 -9.664 922 2HG LYS 436 1HG LYS 436 -3.429 25.809 -7.958 923 1HD LYS 436 2HD LYS 436 -2.271 27.796 -8.180 924 2HD LYS 436 1HD LYS 436 -1.397 27.246 -9.610 925 1HE LYS 436 2HE LYS 436 -2.859 28.540 -10.721 926 2HE LYS 436 1HE LYS 436 -3.955 27.177 -10.506 927 1HZ LYS 436 1HZ LYS 436 -4.691 28.272 -8.406 928 2HZ LYS 436 2HZ LYS 436 -5.086 29.123 -9.814 929 3HZ LYS 436 3HZ LYS 436 -3.791 29.633 -8.854 930 H MET 437 H MET 437 -0.561 22.087 -8.378 931 HA MET 437 HA MET 437 2.177 22.434 -7.720 932 1HB MET 437 2HB MET 437 0.881 21.043 -6.296 933 2HB MET 437 1HB MET 437 0.329 20.056 -7.640 934 1HG MET 437 2HG MET 437 2.967 19.638 -7.841 935 2HG MET 437 1HG MET 437 2.843 19.944 -6.110 936 1HE MET 437 1HE MET 437 2.809 17.766 -8.844 937 2HE MET 437 2HE MET 437 1.111 17.301 -8.945 938 3HE MET 437 3HE MET 437 2.289 16.191 -8.243 939 H LEU 438 H LEU 438 0.542 20.315 -10.070 940 HA LEU 438 HA LEU 438 2.743 19.082 -11.189 941 1HB LEU 438 2HB LEU 438 0.179 20.014 -12.472 942 2HB LEU 438 1HB LEU 438 1.363 19.029 -13.308 943 HG LEU 438 HG LEU 438 0.004 18.176 -10.754 944 1HD1 LEU 438 1HD1 LEU 438 -1.229 18.517 -13.189 945 2HD1 LEU 438 2HD1 LEU 438 -1.772 17.460 -11.886 946 3HD1 LEU 438 3HD1 LEU 438 -0.782 16.810 -13.194 947 1HD2 LEU 438 1HD2 LEU 438 2.088 17.072 -12.477 948 2HD2 LEU 438 2HD2 LEU 438 0.766 15.950 -12.159 949 3HD2 LEU 438 3HD2 LEU 438 1.656 16.666 -10.817 950 H ASP 439 H ASP 439 1.104 21.939 -12.522 951 HA ASP 439 HA ASP 439 2.951 22.625 -14.448 952 1HB ASP 439 2HB ASP 439 0.783 23.720 -14.303 953 2HB ASP 439 1HB ASP 439 1.221 24.452 -12.763 954 H PHE 440 H PHE 440 2.936 23.382 -11.004 955 HA PHE 440 HA PHE 440 5.018 25.234 -10.942 956 1HB PHE 440 2HB PHE 440 4.006 25.058 -8.882 957 2HB PHE 440 1HB PHE 440 3.873 23.308 -8.973 958 HD1 PHE 440 HD1 PHE 440 5.760 21.887 -8.361 959 HD2 PHE 440 HD2 PHE 440 5.946 26.119 -7.975 960 HE1 PHE 440 HE1 PHE 440 7.729 21.662 -6.900 961 HE2 PHE 440 HE2 PHE 440 7.913 25.905 -6.514 962 HZ PHE 440 HZ PHE 440 8.808 23.675 -5.976 963 H TYR 441 H TYR 441 5.054 21.737 -11.112 964 HA TYR 441 HA TYR 441 7.883 21.481 -10.797 965 1HB TYR 441 2HB TYR 441 5.735 19.604 -11.778 966 2HB TYR 441 1HB TYR 441 7.436 19.145 -11.707 967 HD1 TYR 441 HD1 TYR 441 4.524 18.692 -10.042 968 HD2 TYR 441 HD2 TYR 441 8.472 20.077 -9.288 969 HE1 TYR 441 HE1 TYR 441 4.258 18.136 -7.667 970 HE2 TYR 441 HE2 TYR 441 8.224 19.523 -6.913 971 HH TYR 441 HH TYR 441 6.844 18.800 -5.320 972 H ALA 442 H ALA 442 5.660 21.454 -13.562 973 HA ALA 442 HA ALA 442 7.323 20.905 -15.649 974 1HB ALA 442 1HB ALA 442 5.033 22.789 -15.368 975 2HB ALA 442 2HB ALA 442 5.200 21.362 -16.391 976 3HB ALA 442 3HB ALA 442 6.005 22.866 -16.838 977 H LYS 443 H LYS 443 6.921 24.072 -14.104 978 HA LYS 443 HA LYS 443 8.952 25.373 -15.583 979 1HB LYS 443 2HB LYS 443 8.556 26.341 -12.832 980 2HB LYS 443 1HB LYS 443 8.435 27.208 -14.356 981 1HG LYS 443 2HG LYS 443 6.198 26.120 -14.684 982 2HG LYS 443 1HG LYS 443 6.333 25.518 -13.031 983 1HD LYS 443 2HD LYS 443 5.056 27.528 -12.947 984 2HD LYS 443 1HD LYS 443 6.653 27.900 -12.295 985 1HE LYS 443 2HE LYS 443 7.317 28.909 -14.384 986 2HE LYS 443 1HE LYS 443 5.796 28.429 -15.136 987 1HZ LYS 443 1HZ LYS 443 5.328 30.572 -14.581 988 2HZ LYS 443 2HZ LYS 443 6.325 30.574 -13.215 989 3HZ LYS 443 3HZ LYS 443 4.815 29.813 -13.158 990 H GLN 444 H GLN 444 8.881 23.671 -12.496 991 HA GLN 444 HA GLN 444 11.466 24.151 -11.605 992 1HB GLN 444 2HB GLN 444 9.610 21.810 -11.288 993 2HB GLN 444 1HB GLN 444 11.221 21.770 -10.595 994 1HG GLN 444 2HG GLN 444 9.977 24.234 -9.895 995 2HG GLN 444 1HG GLN 444 8.883 22.902 -9.516 996 1HE2 GLN 444 1HE2 GLN 444 12.372 22.742 -9.565 997 2HE2 GLN 444 2HE2 GLN 444 12.575 22.452 -7.877 998 H ARG 445 H ARG 445 10.275 21.719 -13.884 999 HA ARG 445 HA ARG 445 12.718 20.365 -14.261 1000 1HB ARG 445 2HB ARG 445 10.491 20.702 -16.282 1001 2HB ARG 445 1HB ARG 445 11.708 19.433 -16.260 1002 1HG ARG 445 2HG ARG 445 9.537 19.850 -14.215 1003 2HG ARG 445 1HG ARG 445 9.582 18.599 -15.458 1004 1HD ARG 445 2HD ARG 445 11.313 17.452 -14.417 1005 2HD ARG 445 1HD ARG 445 11.817 18.857 -13.487 1006 HE ARG 445 HE ARG 445 9.584 17.071 -12.883 1007 1HH1 ARG 445 1HH1 ARG 445 11.464 19.889 -12.027 1008 2HH1 ARG 445 2HH1 ARG 445 10.869 19.941 -10.403 1009 1HH2 ARG 445 1HH2 ARG 445 8.793 17.157 -10.752 1010 2HH2 ARG 445 2HH2 ARG 445 9.367 18.385 -9.675 1011 H ALA 446 H ALA 446 11.263 23.185 -15.787 1012 HA ALA 446 HA ALA 446 13.241 23.488 -17.809 1013 1HB ALA 446 1HB ALA 446 12.384 25.971 -17.653 1014 2HB ALA 446 2HB ALA 446 11.119 25.243 -16.662 1015 3HB ALA 446 3HB ALA 446 11.357 24.703 -18.324 1016 H ALA 447 H ALA 447 12.817 24.788 -14.569 1017 HA ALA 447 HA ALA 447 15.146 26.426 -14.603 1018 1HB ALA 447 1HB ALA 447 14.781 26.525 -12.117 1019 2HB ALA 447 2HB ALA 447 13.402 25.452 -12.355 1020 3HB ALA 447 3HB ALA 447 13.416 27.048 -13.105 1021 H ILE 448 H ILE 448 14.616 23.913 -12.180 1022 HA ILE 448 HA ILE 448 16.299 22.780 -11.021 1023 HB ILE 448 HB ILE 448 17.157 20.960 -12.800 1024 1HG1 ILE 448 2HG1 ILE 448 14.488 21.555 -13.978 1025 2HG1 ILE 448 1HG1 ILE 448 15.864 22.504 -14.532 1026 1HG2 ILE 448 1HG2 ILE 448 15.738 20.619 -10.782 1027 2HG2 ILE 448 2HG2 ILE 448 15.305 19.588 -12.146 1028 3HG2 ILE 448 3HG2 ILE 448 14.328 21.006 -11.769 1029 1HD1 ILE 448 1HD1 ILE 448 15.064 19.975 -15.398 1030 2HD1 ILE 448 2HD1 ILE 448 16.558 19.732 -14.494 1031 3HD1 ILE 448 3HD1 ILE 448 16.519 20.862 -15.849 1032 HA PRO 449 HA PRO 449 19.977 25.324 -11.963 1033 1HB PRO 449 2HB PRO 449 20.765 23.489 -9.725 1034 2HB PRO 449 1HB PRO 449 21.148 25.200 -9.956 1035 1HG PRO 449 2HG PRO 449 19.201 24.447 -8.292 1036 2HG PRO 449 1HG PRO 449 19.045 25.902 -9.293 1037 1HD PRO 449 2HD PRO 449 17.671 23.295 -9.538 1038 2HD PRO 449 1HD PRO 449 17.170 24.895 -10.115 1039 H ARG 450 H ARG 450 22.073 24.841 -12.739 1040 HA ARG 450 HA ARG 450 22.225 22.331 -14.160 1041 1HB ARG 450 2HB ARG 450 23.097 24.887 -14.686 1042 2HB ARG 450 1HB ARG 450 24.585 24.068 -14.235 1043 1HG ARG 450 2HG ARG 450 24.116 24.056 -16.668 1044 2HG ARG 450 1HG ARG 450 24.302 22.447 -15.967 1045 1HD ARG 450 2HD ARG 450 22.337 21.904 -16.851 1046 2HD ARG 450 1HD ARG 450 21.578 23.057 -15.754 1047 HE ARG 450 HE ARG 450 22.626 24.163 -18.220 1048 1HH1 ARG 450 1HH1 ARG 450 19.867 22.891 -16.519 1049 2HH1 ARG 450 2HH1 ARG 450 18.711 23.636 -17.572 1050 1HH2 ARG 450 1HH2 ARG 450 21.112 25.145 -19.616 1051 2HH2 ARG 450 2HH2 ARG 450 19.419 24.916 -19.334 1052 H SER 451 H SER 451 24.601 24.062 -12.135 1053 HA SER 451 HA SER 451 26.218 23.315 -10.719 1054 1HB SER 451 2HB SER 451 23.824 21.897 -10.070 1055 2HB SER 451 1HB SER 451 25.188 20.796 -9.879 1056 HG SER 451 HG SER 451 25.876 21.930 -8.234 1057 H GLU 452 H GLU 452 27.228 22.957 -12.984 1058 HA GLU 452 HA GLU 452 27.562 20.508 -14.179 1059 1HB GLU 452 2HB GLU 452 28.718 23.025 -14.413 1060 2HB GLU 452 1HB GLU 452 30.076 21.963 -14.061 1061 1HG GLU 452 2HG GLU 452 29.674 22.256 -16.469 1062 2HG GLU 452 1HG GLU 452 29.550 20.576 -15.947 1063 H SER 453 HN SER 453 29.363 21.837 -11.432 1064 HA SER 453 HA SER 453 30.055 19.134 -10.612 1065 1HB SER 453 2HB SER 453 31.892 20.347 -12.131 1066 2HB SER 453 1HB SER 453 32.327 21.058 -10.576 1067 HG SER 453 HG SER 453 33.467 19.146 -10.862 Start of MODEL 6 1 1H5* G 1 2H5* G 1 -16.988 -28.547 -6.751 2 2H5* G 1 1H5* G 1 -15.595 -27.496 -7.084 3 H4* G 1 H4* G 1 -17.734 -26.634 -8.060 4 H3* G 1 H3* G 1 -16.093 -25.096 -6.053 5 H2* G 1 H2* G 1 -17.697 -23.377 -5.892 6 2HO* G 1 HO2* G 1 -19.610 -23.639 -7.481 7 H1* G 1 H1* G 1 -19.949 -24.852 -5.851 8 H8 G 1 H8 G 1 -17.595 -26.921 -3.879 9 H1 G 1 H1 G 1 -19.216 -21.613 -0.737 10 1H2 G 1 1H2 G 1 -20.249 -20.208 -2.111 11 2H2 G 1 2H2 G 1 -20.537 -20.582 -3.794 12 H5T G 1 H5T G 1 -16.092 -28.365 -4.818 13 1H5* G 2 2H5* G 2 -18.413 -22.412 -8.777 14 2H5* G 2 1H5* G 2 -17.119 -21.542 -9.623 15 H4* G 2 H4* G 2 -18.905 -19.996 -8.923 16 H3* G 2 H3* G 2 -16.202 -19.753 -7.544 17 H2* G 2 H2* G 2 -17.036 -17.822 -6.424 18 2HO* G 2 HO2* G 2 -18.122 -16.683 -7.940 19 H1* G 2 H1* G 2 -19.508 -18.844 -5.829 20 H8 G 2 H8 G 2 -16.856 -21.497 -5.424 21 H1 G 2 H1 G 2 -17.151 -17.532 -0.446 22 1H2 G 2 1H2 G 2 -18.458 -15.809 -0.922 23 2H2 G 2 2H2 G 2 -19.261 -15.634 -2.468 24 1H5* G 3 2H5* G 3 -16.951 -15.543 -8.770 25 2H5* G 3 1H5* G 3 -15.316 -15.003 -9.190 26 H4* G 3 H4* G 3 -16.477 -13.770 -7.258 27 H3* G 3 H3* G 3 -13.711 -15.008 -7.147 28 H2* G 3 H2* G 3 -13.498 -14.442 -4.898 29 2HO* G 3 HO2* G 3 -13.915 -12.439 -4.403 30 H1* G 3 H1* G 3 -16.263 -14.387 -4.219 31 H8 G 3 H8 G 3 -15.100 -17.713 -5.491 32 H1 G 3 H1 G 3 -13.453 -16.701 0.592 33 1H2 G 3 1H2 G 3 -13.818 -14.589 1.132 34 2H2 G 3 2H2 G 3 -14.470 -13.428 -0.003 35 1H5* A 4 2H5* A 4 -14.557 -10.825 -5.297 36 2H5* A 4 1H5* A 4 -13.352 -9.835 -6.142 37 H4* A 4 H4* A 4 -13.477 -9.024 -3.879 38 H3* A 4 H3* A 4 -11.021 -10.663 -4.563 39 H2* A 4 H2* A 4 -10.221 -10.413 -2.334 40 2HO* A 4 HO2* A 4 -11.165 -8.097 -2.365 41 H1* A 4 H1* A 4 -12.508 -10.966 -1.052 42 H8 A 4 H8 A 4 -12.112 -12.849 -4.361 43 1H6 A 4 1H6 A 4 -9.309 -17.254 -1.092 44 2H6 A 4 2H6 A 4 -9.941 -16.818 -2.663 45 H2 A 4 H2 A 4 -10.033 -13.747 1.621 46 1H5* U 5 2H5* U 5 -9.575 -7.382 -1.946 47 2H5* U 5 1H5* U 5 -8.055 -6.880 -2.708 48 H4* U 5 H4* U 5 -7.884 -7.680 -0.283 49 H3* U 5 H3* U 5 -6.254 -8.781 -2.587 50 H2* U 5 H2* U 5 -5.253 -10.361 -1.186 51 2HO* U 5 HO2* U 5 -5.178 -8.329 0.473 52 H1* U 5 H1* U 5 -7.328 -10.694 0.672 53 H3 U 5 H3 U 5 -6.339 -14.855 -0.823 54 H5 U 5 H5 U 5 -8.261 -13.009 -4.087 55 H6 U 5 H6 U 5 -8.238 -10.930 -2.840 56 1H5* A 6 2H5* A 6 -3.462 -7.529 1.092 57 2H5* A 6 1H5* A 6 -1.894 -7.282 0.297 58 H4* A 6 H4* A 6 -2.045 -9.026 2.231 59 H3* A 6 H3* A 6 -0.771 -9.506 -0.492 60 H2* A 6 H2* A 6 -0.197 -11.675 0.194 61 2HO* A 6 HO2* A 6 0.046 -10.429 2.607 62 H1* A 6 H1* A 6 -2.404 -12.121 1.892 63 H8 A 6 H8 A 6 -3.326 -11.043 -1.604 64 1H6 A 6 1H6 A 6 -2.751 -16.931 -3.297 65 2H6 A 6 2H6 A 6 -3.276 -15.340 -3.799 66 H2 A 6 H2 A 6 -1.211 -16.526 0.907 67 1H5* C 7 2H5* C 7 2.277 -10.195 3.334 68 2H5* C 7 1H5* C 7 3.808 -9.825 2.518 69 H4* C 7 H4* C 7 3.832 -11.960 3.871 70 H3* C 7 H3* C 7 4.440 -11.895 0.898 71 H2* C 7 H2* C 7 4.828 -14.247 0.945 72 2HO* C 7 HO2* C 7 4.314 -14.724 3.596 73 H1* C 7 H1* C 7 2.654 -14.937 2.338 74 1H4 C 7 1H4 C 7 0.846 -14.824 -3.768 75 2H4 C 7 2H4 C 7 0.649 -13.088 -3.701 76 H5 C 7 H5 C 7 1.218 -11.767 -1.768 77 H6 C 7 H6 C 7 2.104 -11.826 0.516 78 1H5* C 8 2H5* C 8 7.157 -14.829 2.548 79 2H5* C 8 1H5* C 8 8.763 -14.213 2.112 80 H4* C 8 H4* C 8 8.684 -16.510 1.416 81 H3* C 8 H3* C 8 8.337 -14.535 -0.876 82 H2* C 8 H2* C 8 8.357 -16.402 -2.366 83 2HO* C 8 HO2* C 8 9.068 -18.410 -1.762 84 H1* C 8 H1* C 8 6.684 -17.982 -0.901 85 1H4 C 8 1H4 C 8 2.873 -14.807 -4.894 86 2H4 C 8 2H4 C 8 3.090 -13.330 -3.983 87 H5 C 8 H5 C 8 4.562 -13.151 -2.086 88 H6 C 8 H6 C 8 6.151 -14.349 -0.657 89 1H5* A 9 2H5* A 9 11.647 -17.065 -2.501 90 2H5* A 9 1H5* A 9 12.518 -15.888 -3.501 91 H4* A 9 H4* A 9 11.403 -17.873 -4.712 92 H3* A 9 H3* A 9 11.021 -14.950 -5.459 93 H2* A 9 H2* A 9 9.623 -15.608 -7.225 94 2HO* A 9 HO2* A 9 9.709 -18.085 -7.685 95 H1* A 9 H1* A 9 8.575 -17.945 -6.029 96 H8 A 9 H8 A 9 8.103 -14.900 -3.883 97 1H6 A 9 1H6 A 9 3.065 -13.653 -7.194 98 2H6 A 9 2H6 A 9 3.979 -13.238 -5.762 99 H2 A 9 H2 A 9 5.317 -16.948 -9.266 100 1H5* U 10 2H5* U 10 12.932 -16.874 -9.218 101 2H5* U 10 1H5* U 10 13.611 -15.493 -10.105 102 H4* U 10 H4* U 10 11.680 -16.832 -11.216 103 H3* U 10 H3* U 10 11.867 -13.816 -10.938 104 H2* U 10 H2* U 10 9.784 -13.576 -12.005 105 2HO* U 10 HO2* U 10 8.908 -15.786 -12.892 106 H1* U 10 H1* U 10 8.512 -15.782 -10.943 107 H3 U 10 H3 U 10 6.307 -12.080 -9.490 108 H5 U 10 H5 U 10 9.748 -12.280 -7.084 109 H6 U 10 H6 U 10 10.554 -14.084 -8.489 110 1H5* G 11 2H5* G 11 10.734 -15.398 -15.081 111 2H5* G 11 1H5* G 11 11.340 -14.250 -16.290 112 H4* G 11 H4* G 11 8.818 -14.897 -16.354 113 H3* G 11 H3* G 11 9.989 -12.106 -16.513 114 H2* G 11 H2* G 11 7.858 -11.152 -16.494 115 2HO* G 11 HO2* G 11 6.434 -13.481 -17.089 116 H1* G 11 H1* G 11 6.480 -13.232 -15.122 117 H8 G 11 H8 G 11 9.253 -11.825 -13.071 118 H1 G 11 H1 G 11 4.095 -8.085 -13.006 119 1H2 G 11 1H2 G 11 2.671 -8.724 -14.581 120 2H2 G 11 2H2 G 11 2.992 -10.073 -15.646 121 1H5* U 12 2H5* U 12 6.770 -13.686 -19.470 122 2H5* U 12 1H5* U 12 6.810 -12.763 -20.986 123 H4* U 12 H4* U 12 4.520 -13.031 -19.837 124 H3* U 12 H3* U 12 5.742 -10.435 -20.799 125 H2* U 12 H2* U 12 3.907 -9.201 -19.960 126 2HO* U 12 HO2* U 12 2.543 -11.665 -19.490 127 H1* U 12 H1* U 12 3.538 -10.525 -17.617 128 H3 U 12 H3 U 12 5.195 -6.456 -16.491 129 H5 U 12 H5 U 12 8.567 -8.694 -17.671 130 H6 U 12 H6 U 12 7.063 -10.438 -18.435 131 1H5* U 13 2H5* U 13 1.384 -10.596 -21.165 132 2H5* U 13 1H5* U 13 0.892 -9.737 -22.638 133 H4* U 13 H4* U 13 -0.017 -8.883 -20.354 134 H3* U 13 H3* U 13 1.182 -7.260 -22.598 135 H2* U 13 H2* U 13 1.313 -5.357 -21.301 136 2HO* U 13 HO2* U 13 -0.323 -4.764 -19.912 137 H1* U 13 H1* U 13 1.038 -6.573 -18.702 138 H3 U 13 H3 U 13 4.107 -3.280 -18.140 139 H5 U 13 H5 U 13 5.970 -5.998 -20.767 140 H6 U 13 H6 U 13 3.899 -7.250 -20.841 141 1H5* C 14 2H5* C 14 -2.604 -5.571 -20.666 142 2H5* C 14 1H5* C 14 -3.467 -4.563 -21.846 143 H4* C 14 H4* C 14 -2.797 -3.485 -19.579 144 H3* C 14 H3* C 14 -2.350 -2.335 -22.344 145 H2* C 14 H2* C 14 -1.166 -0.524 -21.472 146 2HO* C 14 HO2* C 14 -3.128 -0.395 -19.855 147 H1* C 14 H1* C 14 -0.237 -1.740 -19.067 148 1H4 C 14 1H4 C 14 4.836 -0.337 -22.698 149 2H4 C 14 2H4 C 14 4.536 -1.767 -23.660 150 H5 C 14 H5 C 14 2.618 -3.177 -23.368 151 H6 C 14 H6 C 14 0.563 -3.540 -22.090 152 1H5* A 15 2H5* A 15 -3.673 1.078 -24.150 153 2H5* A 15 1H5* A 15 -2.732 -0.377 -23.769 154 H4* A 15 H4* A 15 -2.080 2.145 -22.278 155 H3* A 15 H3* A 15 -1.659 1.708 -25.242 156 H2* A 15 H2* A 15 0.585 2.359 -25.107 157 2HO* A 15 HO2* A 15 0.464 3.392 -22.509 158 H1* A 15 H1* A 15 1.165 1.464 -22.522 159 H8 A 15 H8 A 15 -0.406 -1.316 -24.461 160 1H6 A 15 1H6 A 15 5.079 -2.333 -27.071 161 2H6 A 15 2H6 A 15 3.460 -2.956 -26.848 162 H2 A 15 H2 A 15 5.297 1.566 -24.844 163 1H5* G 16 2H5* G 16 -0.408 4.819 -24.325 164 2H5* G 16 1H5* G 16 -0.288 6.523 -24.809 165 H4* G 16 H4* G 16 1.699 5.754 -25.682 166 H3* G 16 H3* G 16 -0.447 5.803 -27.676 167 H2* G 16 H2* G 16 -0.015 3.667 -28.514 168 2HO* G 16 HO2* G 16 2.559 4.745 -29.129 169 H1* G 16 H1* G 16 2.745 3.660 -27.282 170 H8 G 16 H8 G 16 3.554 1.243 -27.540 171 H1 G 16 H1 G 16 -2.334 -1.159 -27.978 172 1H2 G 16 1H2 G 16 -3.833 0.447 -27.741 173 2H2 G 16 2H2 G 16 -3.391 2.118 -27.473 174 1H5* A 17 2H5* A 17 4.591 7.171 -29.539 175 2H5* A 17 1H5* A 17 3.551 6.774 -28.157 176 H4* A 17 H4* A 17 5.112 9.274 -28.724 177 H3* A 17 H3* A 17 5.329 7.212 -26.850 178 H2* A 17 H2* A 17 3.443 7.772 -25.535 179 2HO* A 17 HO2* A 17 4.394 9.760 -24.154 180 H1* A 17 H1* A 17 3.856 10.723 -25.999 181 H8 A 17 H8 A 17 1.190 7.913 -26.313 182 1H6 A 17 1H6 A 17 -2.534 11.739 -23.240 183 2H6 A 17 2H6 A 17 -2.401 10.165 -23.992 184 H2 A 17 H2 A 17 1.431 13.784 -23.781 185 1H5* A 18 2H5* A 18 10.063 8.447 -24.369 186 2H5* A 18 1H5* A 18 8.775 7.275 -24.707 187 H4* A 18 H4* A 18 8.674 9.710 -22.900 188 H3* A 18 H3* A 18 8.481 6.710 -22.557 189 H2* A 18 H2* A 18 6.840 6.964 -20.864 190 2HO* A 18 HO2* A 18 6.505 9.570 -20.556 191 H1* A 18 H1* A 18 5.342 8.899 -22.052 192 H8 A 18 H8 A 18 6.757 6.441 -24.590 193 1H6 A 18 1H6 A 18 1.934 2.826 -23.373 194 2H6 A 18 2H6 A 18 3.324 3.066 -24.407 195 H2 A 18 H2 A 18 1.887 6.241 -20.444 196 1H5* G 19 2H5* G 19 9.976 8.233 -18.835 197 2H5* G 19 1H5* G 19 10.737 7.039 -17.763 198 H4* G 19 H4* G 19 8.362 7.613 -17.150 199 H3* G 19 H3* G 19 9.272 4.801 -17.797 200 H2* G 19 H2* G 19 7.079 3.972 -17.492 201 2HO* G 19 HO2* G 19 5.908 4.787 -15.934 202 H1* G 19 H1* G 19 5.693 6.023 -18.668 203 H8 G 19 H8 G 19 8.685 5.413 -20.797 204 H1 G 19 H1 G 19 4.318 0.820 -21.470 205 1H2 G 19 1H2 G 19 2.772 1.006 -19.896 206 2H2 G 19 2H2 G 19 2.817 2.262 -18.681 207 1H5* A 20 2H5* A 20 7.211 5.929 -13.760 208 2H5* A 20 1H5* A 20 7.512 4.722 -12.494 209 H4* A 20 H4* A 20 5.076 5.512 -12.839 210 H3* A 20 H3* A 20 6.100 2.703 -12.535 211 H2* A 20 H2* A 20 4.029 1.722 -13.100 212 2HO* A 20 HO2* A 20 3.020 4.270 -12.406 213 H1* A 20 H1* A 20 3.285 3.314 -15.138 214 H8 A 20 H8 A 20 6.985 3.085 -15.496 215 1H6 A 20 1H6 A 20 6.206 -2.383 -18.202 216 2H6 A 20 2H6 A 20 7.341 -1.096 -17.864 217 H2 A 20 H2 A 20 2.298 -1.196 -16.327 218 1H5* A 21 2H5* A 21 2.112 2.725 -11.083 219 2H5* A 21 1H5* A 21 2.005 1.602 -9.712 220 H4* A 21 H4* A 21 0.683 1.027 -11.877 221 H3* A 21 H3* A 21 2.474 -0.816 -10.275 222 H2* A 21 H2* A 21 2.257 -2.512 -11.849 223 2HO* A 21 HO2* A 21 -0.268 -1.743 -11.775 224 H1* A 21 H1* A 21 1.694 -0.931 -14.136 225 H8 A 21 H8 A 21 5.016 -0.101 -12.629 226 1H6 A 21 1H6 A 21 7.348 -5.019 -15.493 227 2H6 A 21 2H6 A 21 7.727 -3.575 -14.583 228 H2 A 21 H2 A 21 2.870 -5.177 -15.876 229 1H5* C 22 2H5* C 22 -1.993 -2.379 -11.069 230 2H5* C 22 1H5* C 22 -2.237 -3.781 -10.010 231 H4* C 22 H4* C 22 -2.580 -4.095 -12.570 232 H3* C 22 H3* C 22 -0.983 -5.893 -10.717 233 H2* C 22 H2* C 22 -0.453 -7.309 -12.569 234 2HO* C 22 HO2* C 22 -1.801 -7.463 -14.197 235 H1* C 22 H1* C 22 0.339 -5.371 -14.239 236 1H4 C 22 1H4 C 22 5.335 -6.863 -10.539 237 2H4 C 22 2H4 C 22 4.864 -5.615 -9.410 238 H5 C 22 H5 C 22 2.826 -4.354 -9.616 239 H6 C 22 H6 C 22 0.802 -4.009 -10.953 240 1H5* G 23 2H5* G 23 -3.266 -8.482 -13.599 241 2H5* G 23 1H5* G 23 -3.782 -9.862 -12.611 242 H4* G 23 H4* G 23 -2.329 -10.329 -14.719 243 H3* G 23 H3* G 23 -1.857 -11.446 -11.931 244 H2* G 23 H2* G 23 0.024 -12.594 -12.723 245 2HO* G 23 HO2* G 23 -0.895 -12.153 -15.390 246 H1* G 23 H1* G 23 0.847 -10.762 -14.651 247 H8 G 23 H8 G 23 0.513 -8.903 -11.480 248 H1 G 23 H1 G 23 5.417 -12.974 -11.271 249 1H2 G 23 1H2 G 23 5.311 -14.369 -12.992 250 2H2 G 23 2H2 G 23 4.033 -14.293 -14.184 251 1H5* U 24 2H5* U 24 -0.987 -14.361 -15.464 252 2H5* U 24 1H5* U 24 -2.023 -15.714 -14.974 253 H4* U 24 H4* U 24 0.235 -16.467 -15.690 254 H3* U 24 H3* U 24 -0.734 -16.910 -12.857 255 H2* U 24 H2* U 24 1.324 -17.952 -12.277 256 2HO* U 24 HO2* U 24 1.926 -19.251 -13.890 257 H1* U 24 H1* U 24 2.994 -16.177 -13.447 258 H3 U 24 H3 U 24 3.215 -15.075 -9.070 259 H5 U 24 H5 U 24 -0.507 -13.554 -10.332 260 H6 U 24 H6 U 24 -0.170 -14.679 -12.457 261 1H5* G 25 2H5* G 25 0.205 -21.209 -13.580 262 2H5* G 25 1H5* G 25 -1.088 -21.960 -12.627 263 H4* G 25 H4* G 25 1.361 -22.235 -11.802 264 H3* G 25 H3* G 25 -1.132 -21.629 -10.268 265 H2* G 25 H2* G 25 -0.070 -20.646 -8.494 266 2HO* G 25 HO2* G 25 2.110 -21.731 -7.908 267 H1* G 25 H1* G 25 2.654 -20.606 -9.569 268 H8 G 25 H8 G 25 0.056 -18.011 -10.516 269 H1 G 25 H1 G 25 3.353 -16.540 -5.251 270 1H2 G 25 1H2 G 25 4.610 -18.258 -4.646 271 2H2 G 25 2H2 G 25 4.635 -19.763 -5.538 272 1H5* G 26 2H5* G 26 2.053 -24.159 -7.958 273 2H5* G 26 1H5* G 26 1.113 -25.575 -7.450 274 H4* G 26 H4* G 26 2.277 -25.146 -5.497 275 H3* G 26 H3* G 26 -0.280 -23.507 -5.418 276 H2* G 26 H2* G 26 0.389 -22.582 -3.355 277 2HO* G 26 HO2* G 26 1.644 -25.013 -3.117 278 H1* G 26 H1* G 26 3.125 -22.436 -3.855 279 H8 G 26 H8 G 26 0.989 -21.126 -6.668 280 H1 G 26 H1 G 26 1.803 -16.892 -1.985 281 1H2 G 26 1H2 G 26 2.769 -17.869 -0.243 282 2H2 G 26 2H2 G 26 3.204 -19.564 -0.239 283 1H5* U 27 2H5* U 27 1.293 -25.269 -1.357 284 2H5* U 27 1H5* U 27 -0.180 -26.094 -0.810 285 H4* U 27 H4* U 27 0.832 -24.796 1.024 286 H3* U 27 H3* U 27 -1.864 -23.941 -0.079 287 H2* U 27 H2* U 27 -1.942 -22.163 1.491 288 2HO* U 27 HO2* U 27 0.436 -22.962 2.780 289 H1* U 27 H1* U 27 0.650 -21.354 1.290 290 H3 U 27 H3 U 27 -1.391 -18.009 -0.886 291 H5 U 27 H5 U 27 -2.046 -21.327 -3.396 292 H6 U 27 H6 U 27 -1.011 -22.728 -1.705 293 1H5* A 28 2H5* A 28 -1.432 -23.194 4.266 294 2H5* A 28 1H5* A 28 -2.982 -23.674 4.979 295 H4* A 28 H4* A 28 -2.166 -21.233 5.341 296 H3* A 28 H3* A 28 -4.887 -22.269 4.663 297 H2* A 28 H2* A 28 -5.657 -20.298 3.763 298 2HO* A 28 HO2* A 28 -4.306 -18.428 5.196 299 H1* A 28 H1* A 28 -3.152 -18.794 3.745 300 H8 A 28 H8 A 28 -3.919 -21.411 1.111 301 1H6 A 28 1H6 A 28 -6.365 -16.880 -2.268 302 2H6 A 28 2H6 A 28 -5.886 -18.563 -2.255 303 H2 A 28 H2 A 28 -5.415 -15.224 1.805 304 1H5* U 29 2H5* U 29 -4.730 -18.686 7.137 305 2H5* U 29 1H5* U 29 -5.464 -18.995 8.723 306 H4* U 29 H4* U 29 -6.271 -16.862 8.322 307 H3* U 29 H3* U 29 -8.211 -18.870 7.142 308 H2* U 29 H2* U 29 -9.490 -17.155 6.206 309 2HO* U 29 HO2* U 29 -8.291 -15.005 7.485 310 H1* U 29 H1* U 29 -7.461 -15.314 5.689 311 H3 U 29 H3 U 29 -9.332 -16.084 1.664 312 H5 U 29 H5 U 29 -7.407 -19.716 2.583 313 H6 U 29 H6 U 29 -6.898 -18.813 4.779 314 1H5* C 30 2H5* C 30 -10.192 -15.169 9.281 315 2H5* C 30 1H5* C 30 -11.751 -15.815 9.829 316 H4* C 30 H4* C 30 -11.809 -13.721 8.329 317 H3* C 30 H3* C 30 -13.382 -16.263 7.728 318 H2* C 30 H2* C 30 -14.375 -15.105 5.917 319 2HO* C 30 HO2* C 30 -13.298 -12.690 6.998 320 H1* C 30 H1* C 30 -12.121 -13.657 5.165 321 1H4 C 30 1H4 C 30 -12.690 -18.349 0.920 322 2H4 C 30 2H4 C 30 -12.094 -19.509 2.086 323 H5 C 30 H5 C 30 -11.608 -18.949 4.372 324 H6 C 30 H6 C 30 -11.601 -17.162 6.047 325 1H5* U 31 2H5* U 31 -15.569 -13.044 6.555 326 2H5* U 31 1H5* U 31 -17.173 -13.132 7.305 327 H4* U 31 H4* U 31 -17.483 -12.936 4.915 328 H3* U 31 H3* U 31 -17.986 -15.702 6.069 329 H2* U 31 H2* U 31 -18.506 -16.486 3.932 330 2HO* U 31 HO2* U 31 -19.556 -15.281 2.460 331 H1* U 31 H1* U 31 -16.929 -14.649 2.446 332 H3 U 31 H3 U 31 -15.746 -18.674 0.781 333 H5 U 31 H5 U 31 -14.515 -18.864 4.799 334 H6 U 31 H6 U 31 -15.544 -16.704 5.153 335 1H5* C 32 2H5* C 32 -21.569 -13.749 3.481 336 2H5* C 32 1H5* C 32 -22.983 -14.665 4.043 337 H4* C 32 H4* C 32 -22.510 -14.590 1.488 338 H3* C 32 H3* C 32 -22.982 -17.121 3.096 339 H2* C 32 H2* C 32 -22.918 -18.356 1.108 340 2HO* C 32 HO2* C 32 -23.054 -17.300 -0.957 341 H1* C 32 H1* C 32 -20.944 -16.809 -0.152 342 1H4 C 32 1H4 C 32 -18.264 -22.285 1.710 343 2H4 C 32 2H4 C 32 -18.139 -21.685 3.348 344 H5 C 32 H5 C 32 -19.046 -19.569 4.053 345 H6 C 32 H6 C 32 -20.266 -17.569 3.340 346 H3T C 32 H3T C 32 -25.055 -16.796 2.375 347 1H GLY 364 1HT GLY 364 -10.766 0.401 -18.992 348 2H GLY 364 2HT GLY 364 -11.498 1.888 -19.329 349 3H GLY 364 3HT GLY 364 -12.302 0.747 -18.373 350 1HA GLY 364 1HA GLY 364 -10.996 2.786 -17.334 351 2HA GLY 364 2HA GLY 364 -11.153 1.240 -16.514 352 H SER 365 H SER 365 -9.122 2.337 -19.225 353 HA SER 365 HA SER 365 -6.802 1.216 -17.821 354 1HB SER 365 2HB SER 365 -5.757 0.938 -19.918 355 2HB SER 365 1HB SER 365 -7.442 0.504 -20.208 356 HG SER 365 HG SER 365 -6.080 2.244 -21.535 357 H LEU 366 H LEU 366 -7.943 3.793 -17.127 358 HA LEU 366 HA LEU 366 -6.530 5.951 -18.215 359 1HB LEU 366 2HB LEU 366 -8.534 5.774 -16.486 360 2HB LEU 366 1HB LEU 366 -7.233 5.947 -15.325 361 HG LEU 366 HG LEU 366 -6.717 8.115 -16.027 362 1HD1 LEU 366 1HD1 LEU 366 -8.244 7.467 -18.538 363 2HD1 LEU 366 2HD1 LEU 366 -6.526 7.835 -18.375 364 3HD1 LEU 366 3HD1 LEU 366 -7.728 9.099 -18.110 365 1HD2 LEU 366 1HD2 LEU 366 -9.680 7.644 -16.139 366 2HD2 LEU 366 2HD2 LEU 366 -8.985 9.261 -16.231 367 3HD2 LEU 366 3HD2 LEU 366 -8.710 8.264 -14.802 368 H ASP 367 H ASP 367 -5.458 3.396 -16.310 369 HA ASP 367 HA ASP 367 -3.549 4.315 -14.604 370 1HB ASP 367 2HB ASP 367 -2.129 2.303 -15.702 371 2HB ASP 367 1HB ASP 367 -3.484 2.034 -14.610 372 H MET 368 H MET 368 -2.690 3.418 -17.940 373 HA MET 368 HA MET 368 -0.238 4.445 -18.219 374 1HB MET 368 2HB MET 368 -1.309 5.338 -20.568 375 2HB MET 368 1HB MET 368 -0.825 3.678 -20.257 376 1HG MET 368 2HG MET 368 -2.939 2.927 -20.204 377 2HG MET 368 1HG MET 368 -3.546 4.374 -19.400 378 1HE MET 368 1HE MET 368 -4.361 6.414 -20.438 379 2HE MET 368 2HE MET 368 -4.469 6.773 -22.162 380 3HE MET 368 3HE MET 368 -2.908 6.843 -21.344 381 H ASN 369 H ASN 369 -3.053 6.460 -19.103 382 HA ASN 369 HA ASN 369 -1.915 8.873 -19.429 383 1HB ASN 369 2HB ASN 369 -4.511 8.103 -18.144 384 2HB ASN 369 1HB ASN 369 -4.032 9.797 -18.183 385 1HD2 ASN 369 1HD2 ASN 369 -2.900 10.143 -20.557 386 2HD2 ASN 369 2HD2 ASN 369 -4.005 9.795 -21.839 387 H ALA 370 H ALA 370 -2.800 7.504 -16.264 388 HA ALA 370 HA ALA 370 -1.879 9.651 -14.712 389 1HB ALA 370 1HB ALA 370 -2.880 7.021 -14.218 390 2HB ALA 370 2HB ALA 370 -2.820 8.411 -13.135 391 3HB ALA 370 3HB ALA 370 -1.452 7.302 -13.221 392 H LYS 371 H LYS 371 -0.259 6.489 -14.599 393 HA LYS 371 HA LYS 371 2.158 7.141 -13.707 394 1HB LYS 371 2HB LYS 371 3.031 5.458 -15.596 395 2HB LYS 371 1HB LYS 371 2.119 4.916 -14.194 396 1HG LYS 371 2HG LYS 371 0.236 5.620 -16.177 397 2HG LYS 371 1HG LYS 371 1.488 4.654 -16.960 398 1HD LYS 371 2HD LYS 371 1.078 3.277 -14.636 399 2HD LYS 371 1HD LYS 371 -0.542 3.876 -14.996 400 1HE LYS 371 2HE LYS 371 0.026 1.619 -15.960 401 2HE LYS 371 1HE LYS 371 -0.560 2.817 -17.115 402 1HZ LYS 371 1HZ LYS 371 2.264 2.936 -16.886 403 2HZ LYS 371 2HZ LYS 371 1.316 2.657 -18.258 404 3HZ LYS 371 3HZ LYS 371 1.775 1.363 -17.269 405 H ARG 372 H ARG 372 1.068 7.718 -17.012 406 HA ARG 372 HA ARG 372 3.462 8.623 -18.122 407 1HB ARG 372 2HB ARG 372 0.881 8.331 -18.999 408 2HB ARG 372 1HB ARG 372 1.057 10.075 -18.983 409 1HG ARG 372 2HG ARG 372 3.242 8.520 -20.231 410 2HG ARG 372 1HG ARG 372 1.698 8.551 -21.078 411 1HD ARG 372 2HD ARG 372 3.728 10.613 -20.822 412 2HD ARG 372 1HD ARG 372 2.412 10.462 -21.981 413 HE ARG 372 HE ARG 372 2.457 12.086 -19.627 414 1HH1 ARG 372 1HH1 ARG 372 0.386 10.301 -21.785 415 2HH1 ARG 372 2HH1 ARG 372 -1.008 11.279 -21.467 416 1HH2 ARG 372 1HH2 ARG 372 0.627 13.383 -19.201 417 2HH2 ARG 372 2HH2 ARG 372 -0.870 13.033 -19.999 418 H GLN 373 H GLN 373 0.797 10.598 -16.812 419 HA GLN 373 HA GLN 373 1.948 13.079 -16.915 420 1HB GLN 373 2HB GLN 373 -0.287 11.927 -15.654 421 2HB GLN 373 1HB GLN 373 0.589 12.761 -14.378 422 1HG GLN 373 2HG GLN 373 -0.513 13.922 -16.921 423 2HG GLN 373 1HG GLN 373 -0.997 14.278 -15.264 424 1HE2 GLN 373 1HE2 GLN 373 1.744 14.335 -14.291 425 2HE2 GLN 373 2HE2 GLN 373 2.424 15.822 -14.848 426 H LEU 374 H LEU 374 2.217 10.744 -14.264 427 HA LEU 374 HA LEU 374 3.704 12.219 -12.499 428 1HB LEU 374 2HB LEU 374 4.395 9.344 -12.817 429 2HB LEU 374 1HB LEU 374 4.113 10.270 -11.356 430 HG LEU 374 HG LEU 374 2.057 9.135 -13.240 431 1HD1 LEU 374 1HD1 LEU 374 1.272 8.235 -10.943 432 2HD1 LEU 374 2HD1 LEU 374 2.910 8.621 -10.418 433 3HD1 LEU 374 3HD1 LEU 374 2.654 7.477 -11.735 434 1HD2 LEU 374 1HD2 LEU 374 1.512 10.894 -10.860 435 2HD2 LEU 374 2HD2 LEU 374 0.350 10.262 -12.029 436 3HD2 LEU 374 3HD2 LEU 374 1.524 11.485 -12.520 437 H TYR 375 H TYR 375 5.241 9.691 -14.497 438 HA TYR 375 HA TYR 375 7.796 10.928 -14.088 439 1HB TYR 375 2HB TYR 375 6.863 8.451 -15.484 440 2HB TYR 375 1HB TYR 375 8.510 9.031 -15.711 441 HD1 TYR 375 HD1 TYR 375 9.873 7.527 -14.572 442 HD2 TYR 375 HD2 TYR 375 6.378 9.011 -12.651 443 HE1 TYR 375 HE1 TYR 375 10.556 6.418 -12.487 444 HE2 TYR 375 HE2 TYR 375 7.053 7.907 -10.559 445 HH TYR 375 HH TYR 375 9.351 5.538 -10.389 446 H SER 376 H SER 376 5.773 10.343 -16.947 447 HA SER 376 HA SER 376 7.505 11.441 -18.835 448 1HB SER 376 2HB SER 376 5.419 10.066 -19.264 449 2HB SER 376 1HB SER 376 4.497 11.550 -19.024 450 HG SER 376 HG SER 376 5.040 12.159 -20.951 451 H LEU 377 H LEU 377 5.377 13.074 -16.577 452 HA LEU 377 HA LEU 377 6.083 15.613 -17.906 453 1HB LEU 377 2HB LEU 377 3.547 14.680 -16.662 454 2HB LEU 377 1HB LEU 377 3.948 16.381 -16.550 455 HG LEU 377 HG LEU 377 2.494 15.985 -18.449 456 1HD1 LEU 377 1HD1 LEU 377 4.567 16.533 -20.213 457 2HD1 LEU 377 2HD1 LEU 377 5.140 17.120 -18.651 458 3HD1 LEU 377 3HD1 LEU 377 3.609 17.703 -19.305 459 1HD2 LEU 377 1HD2 LEU 377 4.458 14.507 -20.037 460 2HD2 LEU 377 2HD2 LEU 377 2.710 14.306 -19.915 461 3HD2 LEU 377 3HD2 LEU 377 3.766 13.592 -18.697 462 H ILE 378 H ILE 378 6.012 13.862 -14.901 463 HA ILE 378 HA ILE 378 7.321 16.169 -13.627 464 HB ILE 378 HB ILE 378 5.571 14.389 -11.984 465 1HG1 ILE 378 2HG1 ILE 378 4.190 15.132 -13.904 466 2HG1 ILE 378 1HG1 ILE 378 3.651 15.826 -12.380 467 1HG2 ILE 378 1HG2 ILE 378 5.684 17.286 -11.528 468 2HG2 ILE 378 2HG2 ILE 378 7.231 16.452 -11.375 469 3HG2 ILE 378 3HG2 ILE 378 5.858 15.949 -10.392 470 1HD1 ILE 378 1HD1 ILE 378 3.681 17.787 -13.408 471 2HD1 ILE 378 2HD1 ILE 378 4.555 17.129 -14.790 472 3HD1 ILE 378 3HD1 ILE 378 5.441 17.687 -13.371 473 H GLY 379 H GLY 379 8.580 13.860 -14.819 474 1HA GLY 379 2HA GLY 379 9.920 12.864 -12.401 475 2HA GLY 379 1HA GLY 379 9.337 11.703 -13.577 476 H TYR 380 H TYR 380 11.597 14.338 -13.041 477 HA TYR 380 HA TYR 380 13.099 13.548 -15.433 478 1HB TYR 380 2HB TYR 380 14.413 15.625 -15.008 479 2HB TYR 380 1HB TYR 380 12.697 15.932 -15.261 480 HD1 TYR 380 HD1 TYR 380 11.498 17.181 -13.701 481 HD2 TYR 380 HD2 TYR 380 15.222 15.472 -12.567 482 HE1 TYR 380 HE1 TYR 380 11.393 18.385 -11.563 483 HE2 TYR 380 HE2 TYR 380 15.127 16.668 -10.425 484 HH TYR 380 HH TYR 380 13.958 18.019 -9.123 485 H ALA 381 H ALA 381 12.905 12.058 -12.868 486 HA ALA 381 HA ALA 381 14.306 10.632 -11.776 487 1HB ALA 381 1HB ALA 381 16.085 11.766 -13.719 488 2HB ALA 381 2HB ALA 381 16.126 10.180 -12.954 489 3HB ALA 381 3HB ALA 381 16.920 11.550 -12.180 490 H SER 382 H SER 382 16.616 13.262 -11.592 491 HA SER 382 HA SER 382 17.173 13.305 -9.000 492 1HB SER 382 2HB SER 382 16.681 15.712 -10.754 493 2HB SER 382 1HB SER 382 17.388 15.830 -9.143 494 HG SER 382 HG SER 382 18.517 13.983 -10.889 495 H LEU 383 H LEU 383 14.196 14.622 -10.350 496 HA LEU 383 HA LEU 383 13.095 16.009 -8.309 497 1HB LEU 383 2HB LEU 383 12.121 14.935 -10.616 498 2HB LEU 383 1HB LEU 383 11.229 14.022 -9.412 499 HG LEU 383 HG LEU 383 11.314 17.038 -9.548 500 1HD1 LEU 383 1HD1 LEU 383 8.734 16.012 -10.065 501 2HD1 LEU 383 2HD1 LEU 383 9.858 15.175 -11.134 502 3HD1 LEU 383 3HD1 LEU 383 9.780 16.936 -11.142 503 1HD2 LEU 383 1HD2 LEU 383 10.240 17.058 -7.603 504 2HD2 LEU 383 2HD2 LEU 383 10.638 15.346 -7.446 505 3HD2 LEU 383 3HD2 LEU 383 9.095 15.832 -8.150 506 H ARG 384 H ARG 384 13.348 12.499 -8.504 507 HA ARG 384 HA ARG 384 13.273 10.893 -6.894 508 1HB ARG 384 2HB ARG 384 14.374 12.988 -5.607 509 2HB ARG 384 1HB ARG 384 12.911 12.792 -4.652 510 1HG ARG 384 2HG ARG 384 14.624 11.538 -3.598 511 2HG ARG 384 1HG ARG 384 13.524 10.387 -4.359 512 1HD ARG 384 2HD ARG 384 15.124 9.592 -5.694 513 2HD ARG 384 1HD ARG 384 15.666 11.210 -6.137 514 HE ARG 384 HE ARG 384 17.342 11.026 -4.591 515 1HH1 ARG 384 1HH1 ARG 384 14.914 8.618 -3.944 516 2HH1 ARG 384 2HH1 ARG 384 15.836 7.830 -2.707 517 1HH2 ARG 384 1HH2 ARG 384 18.568 9.999 -2.958 518 2HH2 ARG 384 2HH2 ARG 384 17.913 8.617 -2.146 519 H LEU 385 H LEU 385 10.871 11.807 -8.149 520 HA LEU 385 HA LEU 385 8.807 12.007 -6.174 521 1HB LEU 385 2HB LEU 385 8.603 12.967 -8.446 522 2HB LEU 385 1HB LEU 385 8.593 11.344 -9.108 523 HG LEU 385 HG LEU 385 6.529 12.185 -7.100 524 1HD1 LEU 385 1HD1 LEU 385 5.443 13.484 -8.534 525 2HD1 LEU 385 2HD1 LEU 385 5.615 12.305 -9.835 526 3HD1 LEU 385 3HD1 LEU 385 6.899 13.475 -9.530 527 1HD2 LEU 385 1HD2 LEU 385 7.127 9.805 -8.458 528 2HD2 LEU 385 2HD2 LEU 385 5.673 10.449 -9.221 529 3HD2 LEU 385 3HD2 LEU 385 5.701 10.159 -7.481 530 H HIS 386 H HIS 386 7.903 10.412 -5.058 531 HA HIS 386 HA HIS 386 7.716 7.758 -6.248 532 1HB HIS 386 2HB HIS 386 8.790 6.624 -4.420 533 2HB HIS 386 1HB HIS 386 9.900 7.827 -5.066 534 HD1 HIS 386 HD1 HIS 386 10.914 9.371 -3.407 535 HD2 HIS 386 HD2 HIS 386 7.485 7.542 -1.940 536 HE1 HIS 386 HE1 HIS 386 10.762 10.064 -0.995 537 HE2 HIS 386 HE2 HIS 386 8.748 8.845 -0.101 538 H TYR 387 H TYR 387 6.170 6.435 -5.402 539 HA TYR 387 HA TYR 387 4.117 7.780 -3.838 540 1HB TYR 387 2HB TYR 387 4.182 5.283 -5.510 541 2HB TYR 387 1HB TYR 387 2.844 5.610 -4.411 542 HD1 TYR 387 HD1 TYR 387 4.826 7.768 -6.697 543 HD2 TYR 387 HD2 TYR 387 0.999 6.264 -5.619 544 HE1 TYR 387 HE1 TYR 387 3.800 9.201 -8.394 545 HE2 TYR 387 HE2 TYR 387 -0.045 7.690 -7.316 546 HH TYR 387 HH TYR 387 1.914 9.838 -9.375 547 H VAL 388 H VAL 388 3.090 6.755 -2.065 548 HA VAL 388 HA VAL 388 4.677 4.671 -0.754 549 HB VAL 388 HB VAL 388 3.768 6.081 1.390 550 1HG1 VAL 388 1HG1 VAL 388 6.003 6.360 1.869 551 2HG1 VAL 388 2HG1 VAL 388 6.417 6.769 0.201 552 3HG1 VAL 388 3HG1 VAL 388 6.063 5.095 0.638 553 1HG2 VAL 388 1HG2 VAL 388 4.398 8.431 1.011 554 2HG2 VAL 388 2HG2 VAL 388 3.013 7.950 0.030 555 3HG2 VAL 388 3HG2 VAL 388 4.610 8.085 -0.704 556 H THR 389 H THR 389 3.518 3.031 -0.155 557 HA THR 389 HA THR 389 0.616 3.192 -0.303 558 HB THR 389 HB THR 389 2.539 0.899 -0.075 559 HG1 THR 389 HG1 THR 389 1.317 2.092 -2.098 560 1HG2 THR 389 1HG2 THR 389 0.610 0.448 1.415 561 2HG2 THR 389 2HG2 THR 389 0.682 -0.651 0.037 562 3HG2 THR 389 3HG2 THR 389 -0.468 0.684 0.040 563 H VAL 390 H VAL 390 -0.716 3.203 1.386 564 HA VAL 390 HA VAL 390 0.343 2.489 4.023 565 HB VAL 390 HB VAL 390 -0.881 4.451 4.994 566 1HG1 VAL 390 1HG1 VAL 390 1.161 5.315 5.094 567 2HG1 VAL 390 2HG1 VAL 390 0.973 5.955 3.460 568 3HG1 VAL 390 3HG1 VAL 390 1.648 4.345 3.704 569 1HG2 VAL 390 1HG2 VAL 390 -0.770 5.934 2.465 570 2HG2 VAL 390 2HG2 VAL 390 -1.986 5.947 3.744 571 3HG2 VAL 390 3HG2 VAL 390 -2.002 4.673 2.528 572 H LYS 391 H LYS 391 -1.290 2.064 5.610 573 HA LYS 391 HA LYS 391 -3.310 1.343 6.377 574 1HB LYS 391 2HB LYS 391 -4.150 3.071 4.602 575 2HB LYS 391 1HB LYS 391 -4.581 1.629 3.692 576 1HG LYS 391 2HG LYS 391 -5.516 2.282 6.480 577 2HG LYS 391 1HG LYS 391 -6.457 2.496 5.002 578 1HD LYS 391 2HD LYS 391 -6.002 -0.016 4.618 579 2HD LYS 391 1HD LYS 391 -5.580 -0.042 6.332 580 1HE LYS 391 2HE LYS 391 -8.050 1.374 5.930 581 2HE LYS 391 1HE LYS 391 -8.137 -0.225 5.191 582 1HZ LYS 391 1HZ LYS 391 -8.658 0.215 7.747 583 2HZ LYS 391 2HZ LYS 391 -6.999 -0.093 7.868 584 3HZ LYS 391 3HZ LYS 391 -8.025 -1.250 7.183 585 H LYS 392 H LYS 392 -1.727 -0.589 6.121 586 HA LYS 392 HA LYS 392 -1.714 -2.486 4.214 587 1HB LYS 392 2HB LYS 392 -2.109 -3.164 7.129 588 2HB LYS 392 1HB LYS 392 -1.316 -4.152 5.911 589 1HG LYS 392 2HG LYS 392 -0.119 -1.511 6.189 590 2HG LYS 392 1HG LYS 392 -0.075 -2.460 7.676 591 1HD LYS 392 2HD LYS 392 1.229 -4.122 6.731 592 2HD LYS 392 1HD LYS 392 0.731 -3.718 5.087 593 1HE LYS 392 2HE LYS 392 2.676 -2.640 4.912 594 2HE LYS 392 1HE LYS 392 1.965 -1.414 5.960 595 1HZ LYS 392 1HZ LYS 392 3.865 -3.554 6.627 596 2HZ LYS 392 2HZ LYS 392 2.815 -2.986 7.826 597 3HZ LYS 392 3HZ LYS 392 3.889 -1.921 7.068 598 HA PRO 393 HA PRO 393 -6.163 -3.043 3.512 599 1HB PRO 393 2HB PRO 393 -5.510 -5.296 1.891 600 2HB PRO 393 1HB PRO 393 -6.014 -3.691 1.371 601 1HG PRO 393 2HG PRO 393 -3.314 -4.857 1.512 602 2HG PRO 393 1HG PRO 393 -3.908 -3.519 0.519 603 1HD PRO 393 2HD PRO 393 -2.261 -3.162 2.634 604 2HD PRO 393 1HD PRO 393 -3.468 -1.953 2.150 605 H THR 394 H THR 394 -7.653 -4.829 3.731 606 HA THR 394 HA THR 394 -6.644 -6.928 5.556 607 HB THR 394 HB THR 394 -9.048 -6.842 6.523 608 HG1 THR 394 HG1 THR 394 -8.848 -4.155 5.605 609 1HG2 THR 394 1HG2 THR 394 -7.622 -6.229 8.153 610 2HG2 THR 394 2HG2 THR 394 -8.202 -4.602 7.798 611 3HG2 THR 394 3HG2 THR 394 -6.695 -5.175 7.084 612 H ALA 395 H ALA 395 -8.013 -8.866 5.683 613 HA ALA 395 HA ALA 395 -8.834 -9.688 3.027 614 1HB ALA 395 1HB ALA 395 -9.166 -11.535 5.306 615 2HB ALA 395 2HB ALA 395 -7.520 -11.027 4.932 616 3HB ALA 395 3HB ALA 395 -8.498 -11.822 3.699 617 H VAL 396 H VAL 396 -10.353 -7.872 5.052 618 HA VAL 396 HA VAL 396 -12.966 -8.992 4.436 619 HB VAL 396 HB VAL 396 -13.850 -8.560 6.655 620 1HG1 VAL 396 1HG1 VAL 396 -13.139 -10.776 6.480 621 2HG1 VAL 396 2HG1 VAL 396 -12.385 -10.214 7.972 622 3HG1 VAL 396 3HG1 VAL 396 -11.433 -10.328 6.492 623 1HG2 VAL 396 1HG2 VAL 396 -11.771 -8.216 8.379 624 2HG2 VAL 396 2HG2 VAL 396 -12.811 -6.921 7.784 625 3HG2 VAL 396 3HG2 VAL 396 -11.261 -7.236 7.005 626 H ASP 397 H ASP 397 -10.967 -6.639 3.946 627 HA ASP 397 HA ASP 397 -12.874 -4.716 3.185 628 1HB ASP 397 2HB ASP 397 -12.144 -4.567 5.916 629 2HB ASP 397 1HB ASP 397 -11.307 -3.247 5.106 630 HA PRO 398 HA PRO 398 -8.427 -5.369 1.389 631 1HB PRO 398 2HB PRO 398 -10.321 -4.728 -0.835 632 2HB PRO 398 1HB PRO 398 -8.928 -5.812 -0.824 633 1HG PRO 398 2HG PRO 398 -11.514 -6.657 -0.539 634 2HG PRO 398 1HG PRO 398 -10.112 -7.529 0.097 635 1HD PRO 398 2HD PRO 398 -12.219 -6.189 1.553 636 2HD PRO 398 1HD PRO 398 -10.879 -7.164 2.186 637 H ASN 399 H ASN 399 -10.898 -2.833 1.155 638 HA ASN 399 HA ASN 399 -9.778 -0.874 -0.252 639 1HB ASN 399 2HB ASN 399 -10.782 0.761 1.274 640 2HB ASN 399 1HB ASN 399 -11.868 -0.598 0.988 641 1HD2 ASN 399 1HD2 ASN 399 -9.670 0.879 3.261 642 2HD2 ASN 399 2HD2 ASN 399 -10.286 0.084 4.661 643 H SER 400 H SER 400 -7.971 0.303 -0.293 644 HA SER 400 HA SER 400 -6.371 0.625 2.127 645 1HB SER 400 2HB SER 400 -5.370 -1.339 1.167 646 2HB SER 400 1HB SER 400 -5.360 -0.616 -0.443 647 HG SER 400 HG SER 400 -3.745 -0.021 1.788 648 H ILE 401 H ILE 401 -4.724 2.348 1.896 649 HA ILE 401 HA ILE 401 -5.509 4.236 -0.220 650 HB ILE 401 HB ILE 401 -6.228 5.057 1.901 651 1HG1 ILE 401 2HG1 ILE 401 -4.171 6.952 2.015 652 2HG1 ILE 401 1HG1 ILE 401 -4.206 6.418 0.340 653 1HG2 ILE 401 1HG2 ILE 401 -3.778 3.920 2.842 654 2HG2 ILE 401 2HG2 ILE 401 -5.201 4.429 3.745 655 3HG2 ILE 401 3HG2 ILE 401 -3.931 5.593 3.377 656 1HD1 ILE 401 1HD1 ILE 401 -5.841 7.883 0.041 657 2HD1 ILE 401 2HD1 ILE 401 -6.033 8.128 1.777 658 3HD1 ILE 401 3HD1 ILE 401 -6.868 6.797 0.977 659 H VAL 402 H VAL 402 -3.969 5.410 -1.284 660 HA VAL 402 HA VAL 402 -1.136 4.686 -0.846 661 HB VAL 402 HB VAL 402 -1.680 5.433 -3.590 662 1HG1 VAL 402 1HG1 VAL 402 0.315 4.240 -2.661 663 2HG1 VAL 402 2HG1 VAL 402 -0.386 3.528 -4.115 664 3HG1 VAL 402 3HG1 VAL 402 -0.691 2.796 -2.538 665 1HG2 VAL 402 1HG2 VAL 402 -2.872 3.321 -4.215 666 2HG2 VAL 402 2HG2 VAL 402 -3.864 4.514 -3.371 667 3HG2 VAL 402 3HG2 VAL 402 -3.251 3.101 -2.507 668 H GLU 403 H GLU 403 0.200 6.519 -0.615 669 HA GLU 403 HA GLU 403 -1.029 9.047 -1.454 670 1HB GLU 403 2HB GLU 403 0.257 8.227 0.978 671 2HB GLU 403 1HB GLU 403 1.171 9.539 0.247 672 1HG GLU 403 2HG GLU 403 -0.863 10.895 0.151 673 2HG GLU 403 1HG GLU 403 -1.764 9.586 0.911 674 H CYS 404 H CYS 404 -0.016 10.265 -2.951 675 HA CYS 404 HA CYS 404 2.498 9.254 -4.057 676 1HB CYS 404 2HB CYS 404 1.962 11.132 -5.799 677 2HB CYS 404 1HB CYS 404 1.043 9.632 -5.836 678 HG CYS 404 HG CYS 404 -0.068 12.398 -5.190 679 H ARG 405 H ARG 405 4.395 10.489 -4.089 680 HA ARG 405 HA ARG 405 4.360 13.203 -3.209 681 1HB ARG 405 2HB ARG 405 5.121 13.048 -1.059 682 2HB ARG 405 1HB ARG 405 4.150 11.582 -1.138 683 1HG ARG 405 2HG ARG 405 6.263 10.351 -1.742 684 2HG ARG 405 1HG ARG 405 7.141 11.828 -1.344 685 1HD ARG 405 2HD ARG 405 5.265 11.121 0.738 686 2HD ARG 405 1HD ARG 405 6.382 9.798 0.407 687 HE ARG 405 HE ARG 405 7.932 12.069 0.582 688 1HH1 ARG 405 1HH1 ARG 405 5.741 10.328 2.654 689 2HH1 ARG 405 2HH1 ARG 405 6.544 10.797 4.115 690 1HH2 ARG 405 1HH2 ARG 405 8.997 12.693 2.500 691 2HH2 ARG 405 2HH2 ARG 405 8.397 12.141 4.028 692 H VAL 406 H VAL 406 6.813 13.734 -2.460 693 HA VAL 406 HA VAL 406 8.644 12.484 -4.381 694 HB VAL 406 HB VAL 406 9.485 15.029 -4.572 695 1HG1 VAL 406 1HG1 VAL 406 9.167 13.847 -6.544 696 2HG1 VAL 406 2HG1 VAL 406 7.961 15.129 -6.661 697 3HG1 VAL 406 3HG1 VAL 406 7.474 13.503 -6.180 698 1HG2 VAL 406 1HG2 VAL 406 7.793 16.027 -3.239 699 2HG2 VAL 406 2HG2 VAL 406 6.519 15.163 -4.100 700 3HG2 VAL 406 3HG2 VAL 406 7.432 16.432 -4.917 701 H GLY 407 H GLY 407 10.792 12.497 -3.800 702 1HA GLY 407 2HA GLY 407 11.628 12.082 -1.312 703 2HA GLY 407 1HA GLY 407 12.667 12.860 -2.491 704 H ASP 408 H ASP 408 11.107 15.314 -2.616 705 HA ASP 408 HA ASP 408 12.388 16.762 -0.587 706 1HB ASP 408 2HB ASP 408 9.951 17.588 -2.182 707 2HB ASP 408 1HB ASP 408 11.046 18.667 -1.319 708 H GLY 409 H GLY 409 9.633 14.825 -0.461 709 1HA GLY 409 2HA GLY 409 8.496 14.253 1.503 710 2HA GLY 409 1HA GLY 409 9.067 15.741 2.245 711 H THR 410 H THR 410 7.509 15.460 -0.893 712 HA THR 410 HA THR 410 5.223 16.985 0.198 713 HB THR 410 HB THR 410 6.570 17.216 -2.490 714 HG1 THR 410 HG1 THR 410 6.330 18.819 -0.215 715 1HG2 THR 410 1HG2 THR 410 3.816 17.982 -1.651 716 2HG2 THR 410 2HG2 THR 410 4.395 17.380 -3.205 717 3HG2 THR 410 3HG2 THR 410 4.703 19.053 -2.736 718 H VAL 411 H VAL 411 3.418 15.835 0.233 719 HA VAL 411 HA VAL 411 3.098 13.468 -1.399 720 HB VAL 411 HB VAL 411 1.107 14.723 0.494 721 1HG1 VAL 411 1HG1 VAL 411 1.310 12.013 -0.795 722 2HG1 VAL 411 2HG1 VAL 411 -0.008 13.179 -0.909 723 3HG1 VAL 411 3HG1 VAL 411 0.293 12.334 0.609 724 1HG2 VAL 411 1HG2 VAL 411 2.139 12.527 1.764 725 2HG2 VAL 411 2HG2 VAL 411 2.584 14.204 2.090 726 3HG2 VAL 411 3HG2 VAL 411 3.561 13.228 0.992 727 H LEU 412 H LEU 412 2.805 14.064 -3.519 728 HA LEU 412 HA LEU 412 1.396 16.198 -4.532 729 1HB LEU 412 2HB LEU 412 1.501 13.444 -5.760 730 2HB LEU 412 1HB LEU 412 1.188 14.947 -6.606 731 HG LEU 412 HG LEU 412 3.372 14.822 -7.138 732 1HD1 LEU 412 1HD1 LEU 412 4.182 15.496 -4.361 733 2HD1 LEU 412 2HD1 LEU 412 3.079 16.588 -5.195 734 3HD1 LEU 412 3HD1 LEU 412 4.659 16.231 -5.891 735 1HD2 LEU 412 1HD2 LEU 412 3.280 12.658 -5.292 736 2HD2 LEU 412 2HD2 LEU 412 4.750 13.590 -5.005 737 3HD2 LEU 412 3HD2 LEU 412 4.416 12.943 -6.610 738 H GLY 413 H GLY 413 0.162 13.255 -3.119 739 1HA GLY 413 2HA GLY 413 -2.450 14.332 -2.923 740 2HA GLY 413 1HA GLY 413 -2.387 13.230 -4.286 741 H THR 414 H THR 414 -4.137 12.427 -2.710 742 HA THR 414 HA THR 414 -3.017 10.116 -1.336 743 HB THR 414 HB THR 414 -4.695 12.218 0.025 744 HG1 THR 414 HG1 THR 414 -3.065 11.947 1.638 745 1HG2 THR 414 1HG2 THR 414 -4.313 9.346 0.868 746 2HG2 THR 414 2HG2 THR 414 -5.835 10.136 0.452 747 3HG2 THR 414 3HG2 THR 414 -4.957 10.621 1.903 748 H GLY 415 H GLY 415 -4.108 8.401 -2.075 749 1HA GLY 415 2HA GLY 415 -6.984 8.738 -2.649 750 2HA GLY 415 1HA GLY 415 -5.924 7.913 -3.779 751 H VAL 416 H VAL 416 -8.184 6.716 -2.796 752 HA VAL 416 HA VAL 416 -7.046 4.517 -1.228 753 HB VAL 416 HB VAL 416 -8.541 6.125 0.137 754 1HG1 VAL 416 1HG1 VAL 416 -10.779 6.215 -0.206 755 2HG1 VAL 416 2HG1 VAL 416 -10.864 4.566 -0.827 756 3HG1 VAL 416 3HG1 VAL 416 -10.293 5.873 -1.866 757 1HG2 VAL 416 1HG2 VAL 416 -9.455 4.272 1.433 758 2HG2 VAL 416 2HG2 VAL 416 -7.808 3.921 0.910 759 3HG2 VAL 416 3HG2 VAL 416 -9.175 3.174 0.081 760 H GLY 417 H GLY 417 -8.302 2.478 -1.465 761 1HA GLY 417 2HA GLY 417 -10.144 2.371 -3.710 762 2HA GLY 417 1HA GLY 417 -8.591 1.600 -3.973 763 H ARG 418 H ARG 418 -11.710 1.100 -3.027 764 HA ARG 418 HA ARG 418 -11.766 -0.625 -0.911 765 1HB ARG 418 2HB ARG 418 -13.496 -1.898 -2.557 766 2HB ARG 418 1HB ARG 418 -13.879 -0.415 -1.695 767 1HG ARG 418 2HG ARG 418 -12.599 -0.083 -4.331 768 2HG ARG 418 1HG ARG 418 -14.237 -0.740 -4.331 769 1HD ARG 418 2HD ARG 418 -14.552 1.284 -2.590 770 2HD ARG 418 1HD ARG 418 -13.267 1.951 -3.595 771 HE ARG 418 HE ARG 418 -14.828 2.315 -5.207 772 1HH1 ARG 418 1HH1 ARG 418 -15.961 -0.246 -3.143 773 2HH1 ARG 418 2HH1 ARG 418 -17.487 -0.396 -3.947 774 1HH2 ARG 418 1HH2 ARG 418 -16.838 2.131 -6.272 775 2HH2 ARG 418 2HH2 ARG 418 -17.985 0.955 -5.725 776 H ASN 419 H ASN 419 -11.159 -1.633 -4.296 777 HA ASN 419 HA ASN 419 -10.281 -4.229 -3.321 778 1HB ASN 419 2HB ASN 419 -9.778 -4.484 -5.912 779 2HB ASN 419 1HB ASN 419 -11.411 -4.639 -5.275 780 1HD2 ASN 419 1HD2 ASN 419 -9.396 -3.038 -7.440 781 2HD2 ASN 419 2HD2 ASN 419 -10.505 -1.815 -7.956 782 H ILE 420 H ILE 420 -8.936 -1.223 -3.688 783 HA ILE 420 HA ILE 420 -6.834 -0.614 -3.128 784 HB ILE 420 HB ILE 420 -5.031 -1.937 -2.903 785 1HG1 ILE 420 2HG1 ILE 420 -4.996 -4.284 -4.137 786 2HG1 ILE 420 1HG1 ILE 420 -6.059 -3.445 -5.257 787 1HG2 ILE 420 1HG2 ILE 420 -6.509 -4.391 -2.640 788 2HG2 ILE 420 2HG2 ILE 420 -7.444 -3.024 -2.035 789 3HG2 ILE 420 3HG2 ILE 420 -5.834 -3.343 -1.393 790 1HD1 ILE 420 1HD1 ILE 420 -3.939 -3.144 -6.153 791 2HD1 ILE 420 2HD1 ILE 420 -3.212 -2.855 -4.573 792 3HD1 ILE 420 3HD1 ILE 420 -4.247 -1.626 -5.306 793 H LYS 421 H LYS 421 -7.218 -2.412 -6.201 794 HA LYS 421 HA LYS 421 -5.254 -1.157 -7.654 795 1HB LYS 421 2HB LYS 421 -7.429 -2.736 -8.319 796 2HB LYS 421 1HB LYS 421 -7.757 -1.215 -9.147 797 1HG LYS 421 2HG LYS 421 -6.519 -2.705 -10.593 798 2HG LYS 421 1HG LYS 421 -5.538 -1.295 -10.163 799 1HD LYS 421 2HD LYS 421 -3.966 -2.612 -9.325 800 2HD LYS 421 1HD LYS 421 -5.134 -3.323 -8.210 801 1HE LYS 421 2HE LYS 421 -5.838 -4.633 -10.417 802 2HE LYS 421 1HE LYS 421 -4.151 -4.315 -10.825 803 1HZ LYS 421 1HZ LYS 421 -3.399 -5.594 -9.086 804 2HZ LYS 421 2HZ LYS 421 -4.784 -6.453 -9.538 805 3HZ LYS 421 3HZ LYS 421 -4.826 -5.434 -8.189 806 H ILE 422 H ILE 422 -8.615 -0.079 -7.396 807 HA ILE 422 HA ILE 422 -8.471 2.383 -8.566 808 HB ILE 422 HB ILE 422 -9.798 2.697 -6.004 809 1HG1 ILE 422 2HG1 ILE 422 -11.620 0.997 -6.550 810 2HG1 ILE 422 1HG1 ILE 422 -10.444 0.234 -7.619 811 1HG2 ILE 422 1HG2 ILE 422 -11.733 3.166 -7.448 812 2HG2 ILE 422 2HG2 ILE 422 -10.786 2.654 -8.846 813 3HG2 ILE 422 3HG2 ILE 422 -10.288 4.068 -7.913 814 1HD1 ILE 422 1HD1 ILE 422 -9.901 -0.954 -5.813 815 2HD1 ILE 422 2HD1 ILE 422 -10.640 0.199 -4.706 816 3HD1 ILE 422 3HD1 ILE 422 -9.014 0.481 -5.327 817 H ALA 423 H ALA 423 -7.167 1.324 -5.494 818 HA ALA 423 HA ALA 423 -6.487 3.899 -4.517 819 1HB ALA 423 1HB ALA 423 -6.528 1.444 -3.407 820 2HB ALA 423 2HB ALA 423 -5.675 2.826 -2.716 821 3HB ALA 423 3HB ALA 423 -4.797 1.639 -3.683 822 H GLY 424 H GLY 424 -4.671 1.400 -6.321 823 1HA GLY 424 2HA GLY 424 -2.236 2.845 -6.392 824 2HA GLY 424 1HA GLY 424 -2.709 1.576 -7.516 825 H ILE 425 H ILE 425 -4.697 2.437 -8.943 826 HA ILE 425 HA ILE 425 -3.603 4.318 -10.708 827 HB ILE 425 HB ILE 425 -6.557 3.805 -10.529 828 1HG1 ILE 425 2HG1 ILE 425 -5.877 1.597 -10.427 829 2HG1 ILE 425 1HG1 ILE 425 -5.895 1.854 -12.168 830 1HG2 ILE 425 1HG2 ILE 425 -4.928 5.209 -12.298 831 2HG2 ILE 425 2HG2 ILE 425 -6.617 4.759 -12.534 832 3HG2 ILE 425 3HG2 ILE 425 -5.333 3.712 -13.138 833 1HD1 ILE 425 1HD1 ILE 425 -3.338 2.588 -11.395 834 2HD1 ILE 425 2HD1 ILE 425 -3.819 1.086 -12.182 835 3HD1 ILE 425 3HD1 ILE 425 -3.706 1.162 -10.425 836 H ARG 426 H ARG 426 -5.855 4.669 -8.028 837 HA ARG 426 HA ARG 426 -6.669 7.313 -8.540 838 1HB ARG 426 2HB ARG 426 -7.925 6.066 -6.949 839 2HB ARG 426 1HB ARG 426 -6.490 5.711 -5.993 840 1HG ARG 426 2HG ARG 426 -7.489 7.338 -4.730 841 2HG ARG 426 1HG ARG 426 -6.379 8.299 -5.712 842 1HD ARG 426 2HD ARG 426 -9.329 7.884 -6.174 843 2HD ARG 426 1HD ARG 426 -8.531 9.377 -5.682 844 HE ARG 426 HE ARG 426 -7.327 8.976 -7.986 845 1HH1 ARG 426 1HH1 ARG 426 -10.703 8.581 -7.197 846 2HH1 ARG 426 2HH1 ARG 426 -11.248 8.936 -8.801 847 1HH2 ARG 426 1HH2 ARG 426 -8.041 9.445 -10.096 848 2HH2 ARG 426 2HH2 ARG 426 -9.737 9.428 -10.449 849 H ALA 427 H ALA 427 -4.153 6.092 -6.289 850 HA ALA 427 HA ALA 427 -3.144 8.475 -5.410 851 1HB ALA 427 1HB ALA 427 -0.994 6.652 -6.144 852 2HB ALA 427 2HB ALA 427 -2.310 5.849 -5.292 853 3HB ALA 427 3HB ALA 427 -1.495 7.227 -4.555 854 H ALA 428 H ALA 428 -2.518 6.836 -8.478 855 HA ALA 428 HA ALA 428 -0.565 8.507 -9.525 856 1HB ALA 428 1HB ALA 428 -0.871 7.387 -11.454 857 2HB ALA 428 2HB ALA 428 -2.615 7.646 -11.448 858 3HB ALA 428 3HB ALA 428 -1.912 6.358 -10.469 859 H GLU 429 H GLU 429 -4.031 8.686 -10.325 860 HA GLU 429 HA GLU 429 -4.074 11.127 -11.574 861 1HB GLU 429 2HB GLU 429 -6.040 9.511 -10.075 862 2HB GLU 429 1HB GLU 429 -6.431 11.219 -10.213 863 1HG GLU 429 2HG GLU 429 -5.732 10.630 -12.767 864 2HG GLU 429 1HG GLU 429 -6.447 9.108 -12.239 865 H ASN 430 H ASN 430 -4.275 10.440 -8.114 866 HA ASN 430 HA ASN 430 -4.685 13.018 -7.164 867 1HB ASN 430 2HB ASN 430 -3.889 10.463 -6.073 868 2HB ASN 430 1HB ASN 430 -2.990 11.771 -5.308 869 1HD2 ASN 430 1HD2 ASN 430 -6.126 10.384 -5.860 870 2HD2 ASN 430 2HD2 ASN 430 -6.964 11.288 -4.650 871 H ALA 431 H ALA 431 -1.774 11.499 -8.381 872 HA ALA 431 HA ALA 431 0.029 13.429 -7.310 873 1HB ALA 431 1HB ALA 431 0.942 11.316 -7.880 874 2HB ALA 431 2HB ALA 431 1.620 12.486 -9.013 875 3HB ALA 431 3HB ALA 431 0.314 11.415 -9.524 876 H LEU 432 H LEU 432 -1.445 12.938 -10.511 877 HA LEU 432 HA LEU 432 -0.486 15.593 -11.288 878 1HB LEU 432 2HB LEU 432 -1.179 15.021 -13.563 879 2HB LEU 432 1HB LEU 432 -0.042 13.865 -12.911 880 HG LEU 432 HG LEU 432 -1.915 12.915 -14.297 881 1HD1 LEU 432 1HD1 LEU 432 -1.622 10.978 -13.243 882 2HD1 LEU 432 2HD1 LEU 432 -2.291 11.590 -11.733 883 3HD1 LEU 432 3HD1 LEU 432 -0.601 11.895 -12.135 884 1HD2 LEU 432 1HD2 LEU 432 -3.681 14.400 -13.341 885 2HD2 LEU 432 2HD2 LEU 432 -3.601 13.445 -11.862 886 3HD2 LEU 432 3HD2 LEU 432 -4.099 12.687 -13.373 887 H ARG 433 H ARG 433 -2.862 14.735 -9.493 888 HA ARG 433 HA ARG 433 -5.082 15.941 -10.928 889 1HB ARG 433 2HB ARG 433 -5.679 14.085 -9.573 890 2HB ARG 433 1HB ARG 433 -4.814 14.726 -8.183 891 1HG ARG 433 2HG ARG 433 -6.972 16.426 -9.237 892 2HG ARG 433 1HG ARG 433 -7.476 14.895 -8.520 893 1HD ARG 433 2HD ARG 433 -6.313 15.434 -6.467 894 2HD ARG 433 1HD ARG 433 -5.691 16.921 -7.176 895 HE ARG 433 HE ARG 433 -7.706 17.922 -6.756 896 1HH1 ARG 433 1HH1 ARG 433 -8.069 14.468 -6.499 897 2HH1 ARG 433 2HH1 ARG 433 -9.686 14.553 -5.883 898 1HH2 ARG 433 1HH2 ARG 433 -9.834 18.046 -5.950 899 2HH2 ARG 433 2HH2 ARG 433 -10.689 16.588 -5.575 900 H ASP 434 H ASP 434 -2.487 17.267 -9.641 901 HA ASP 434 HA ASP 434 -3.969 19.529 -8.464 902 1HB ASP 434 2HB ASP 434 -1.312 18.327 -7.773 903 2HB ASP 434 1HB ASP 434 -1.627 20.022 -7.422 904 H LYS 435 H LYS 435 -4.201 20.194 -10.742 905 HA LYS 435 HA LYS 435 -2.368 20.761 -12.610 906 1HB LYS 435 2HB LYS 435 -3.796 22.357 -13.468 907 2HB LYS 435 1HB LYS 435 -4.884 21.464 -12.414 908 1HG LYS 435 2HG LYS 435 -4.442 23.186 -10.650 909 2HG LYS 435 1HG LYS 435 -3.574 24.116 -11.872 910 1HD LYS 435 2HD LYS 435 -6.455 23.247 -12.056 911 2HD LYS 435 1HD LYS 435 -5.899 24.864 -11.618 912 1HE LYS 435 2HE LYS 435 -4.667 24.856 -13.853 913 2HE LYS 435 1HE LYS 435 -5.645 23.446 -14.255 914 1HZ LYS 435 1HZ LYS 435 -6.515 26.225 -13.795 915 2HZ LYS 435 2HZ LYS 435 -7.605 24.945 -13.615 916 3HZ LYS 435 3HZ LYS 435 -6.852 25.209 -15.106 917 H LYS 436 H LYS 436 -2.902 22.674 -9.683 918 HA LYS 436 HA LYS 436 -0.996 24.679 -10.239 919 1HB LYS 436 2HB LYS 436 -1.492 23.907 -7.410 920 2HB LYS 436 1HB LYS 436 -1.466 25.501 -8.151 921 1HG LYS 436 2HG LYS 436 -3.665 24.511 -9.322 922 2HG LYS 436 1HG LYS 436 -3.697 23.602 -7.809 923 1HD LYS 436 2HD LYS 436 -4.901 25.501 -7.257 924 2HD LYS 436 1HD LYS 436 -3.276 25.925 -6.713 925 1HE LYS 436 2HE LYS 436 -3.267 26.740 -9.332 926 2HE LYS 436 1HE LYS 436 -4.917 27.101 -8.823 927 1HZ LYS 436 1HZ LYS 436 -4.227 28.739 -7.480 928 2HZ LYS 436 2HZ LYS 436 -2.819 28.717 -8.417 929 3HZ LYS 436 3HZ LYS 436 -2.866 27.889 -6.943 930 H MET 437 H MET 437 -0.800 21.693 -8.328 931 HA MET 437 HA MET 437 1.874 21.949 -7.516 932 1HB MET 437 2HB MET 437 0.433 20.341 -6.456 933 2HB MET 437 1HB MET 437 0.156 19.513 -7.981 934 1HG MET 437 2HG MET 437 2.768 19.213 -7.905 935 2HG MET 437 1HG MET 437 2.505 19.422 -6.173 936 1HE MET 437 1HE MET 437 1.735 17.173 -9.335 937 2HE MET 437 2HE MET 437 2.077 15.658 -8.499 938 3HE MET 437 3HE MET 437 3.282 16.946 -8.521 939 H LEU 438 H LEU 438 0.461 20.171 -10.247 940 HA LEU 438 HA LEU 438 2.829 19.219 -11.376 941 1HB LEU 438 2HB LEU 438 0.208 20.004 -12.629 942 2HB LEU 438 1HB LEU 438 1.503 19.242 -13.525 943 HG LEU 438 HG LEU 438 -0.016 18.035 -11.212 944 1HD1 LEU 438 1HD1 LEU 438 -1.111 16.713 -12.779 945 2HD1 LEU 438 2HD1 LEU 438 0.059 17.067 -14.045 946 3HD1 LEU 438 3HD1 LEU 438 -1.086 18.305 -13.529 947 1HD2 LEU 438 1HD2 LEU 438 2.581 17.478 -11.929 948 2HD2 LEU 438 2HD2 LEU 438 1.658 16.284 -12.837 949 3HD2 LEU 438 3HD2 LEU 438 1.489 16.383 -11.085 950 H ASP 439 H ASP 439 0.915 22.029 -12.327 951 HA ASP 439 HA ASP 439 2.625 23.096 -14.230 952 1HB ASP 439 2HB ASP 439 0.252 23.845 -13.614 953 2HB ASP 439 1HB ASP 439 1.003 24.806 -12.344 954 H PHE 440 H PHE 440 2.756 23.194 -10.759 955 HA PHE 440 HA PHE 440 4.654 25.284 -10.504 956 1HB PHE 440 2HB PHE 440 3.690 24.892 -8.465 957 2HB PHE 440 1HB PHE 440 3.541 23.163 -8.748 958 HD1 PHE 440 HD1 PHE 440 4.606 21.966 -7.130 959 HD2 PHE 440 HD2 PHE 440 6.429 25.526 -8.575 960 HE1 PHE 440 HE1 PHE 440 6.546 21.561 -5.668 961 HE2 PHE 440 HE2 PHE 440 8.373 25.129 -7.119 962 HZ PHE 440 HZ PHE 440 8.432 23.143 -5.664 963 H TYR 441 H TYR 441 4.884 21.788 -10.857 964 HA TYR 441 HA TYR 441 7.739 21.743 -10.654 965 1HB TYR 441 2HB TYR 441 5.697 19.701 -11.531 966 2HB TYR 441 1HB TYR 441 7.429 19.378 -11.565 967 HD1 TYR 441 HD1 TYR 441 8.603 20.185 -9.232 968 HD2 TYR 441 HD2 TYR 441 4.593 18.847 -9.699 969 HE1 TYR 441 HE1 TYR 441 8.540 19.575 -6.856 970 HE2 TYR 441 HE2 TYR 441 4.515 18.232 -7.322 971 HH TYR 441 HH TYR 441 5.941 17.736 -5.497 972 H ALA 442 H ALA 442 5.408 21.440 -13.313 973 HA ALA 442 HA ALA 442 7.028 21.101 -15.477 974 1HB ALA 442 1HB ALA 442 4.716 21.283 -15.914 975 2HB ALA 442 2HB ALA 442 5.450 22.665 -16.728 976 3HB ALA 442 3HB ALA 442 4.624 22.888 -15.186 977 H LYS 443 H LYS 443 6.371 24.126 -13.777 978 HA LYS 443 HA LYS 443 8.114 25.729 -15.351 979 1HB LYS 443 2HB LYS 443 6.624 27.071 -14.240 980 2HB LYS 443 1HB LYS 443 6.591 26.040 -12.817 981 1HG LYS 443 2HG LYS 443 7.571 28.235 -12.358 982 2HG LYS 443 1HG LYS 443 8.719 26.923 -12.083 983 1HD LYS 443 2HD LYS 443 10.146 27.882 -13.491 984 2HD LYS 443 1HD LYS 443 8.961 27.735 -14.791 985 1HE LYS 443 2HE LYS 443 9.228 29.996 -14.800 986 2HE LYS 443 1HE LYS 443 7.944 29.872 -13.597 987 1HZ LYS 443 1HZ LYS 443 10.575 30.867 -13.294 988 2HZ LYS 443 2HZ LYS 443 10.323 29.584 -12.221 989 3HZ LYS 443 3HZ LYS 443 9.285 30.920 -12.201 990 H GLN 444 H GLN 444 8.422 23.889 -12.366 991 HA GLN 444 HA GLN 444 10.975 24.753 -11.600 992 1HB GLN 444 2HB GLN 444 10.832 23.168 -9.967 993 2HB GLN 444 1HB GLN 444 9.146 23.149 -10.462 994 1HG GLN 444 2HG GLN 444 9.365 20.963 -10.741 995 2HG GLN 444 1HG GLN 444 10.391 21.300 -12.132 996 1HE2 GLN 444 1HE2 GLN 444 12.471 22.508 -10.563 997 2HE2 GLN 444 2HE2 GLN 444 13.274 21.234 -9.723 998 H ARG 445 H ARG 445 9.901 22.579 -14.066 999 HA ARG 445 HA ARG 445 12.443 21.307 -14.472 1000 1HB ARG 445 2HB ARG 445 9.757 21.184 -15.697 1001 2HB ARG 445 1HB ARG 445 11.097 20.842 -16.784 1002 1HG ARG 445 2HG ARG 445 11.029 19.474 -14.147 1003 2HG ARG 445 1HG ARG 445 9.924 18.935 -15.413 1004 1HD ARG 445 2HD ARG 445 12.720 19.351 -16.245 1005 2HD ARG 445 1HD ARG 445 12.451 18.025 -15.114 1006 HE ARG 445 HE ARG 445 10.549 17.796 -17.130 1007 1HH1 ARG 445 1HH1 ARG 445 14.010 17.645 -16.785 1008 2HH1 ARG 445 2HH1 ARG 445 14.224 16.540 -18.101 1009 1HH2 ARG 445 1HH2 ARG 445 10.817 16.338 -18.862 1010 2HH2 ARG 445 2HH2 ARG 445 12.406 15.794 -19.281 1011 H ALA 446 H ALA 446 10.578 23.845 -16.129 1012 HA ALA 446 HA ALA 446 12.357 24.300 -18.232 1013 1HB ALA 446 1HB ALA 446 10.867 26.536 -16.884 1014 2HB ALA 446 2HB ALA 446 10.042 25.329 -17.872 1015 3HB ALA 446 3HB ALA 446 11.283 26.357 -18.589 1016 H ALA 447 H ALA 447 12.346 25.484 -14.926 1017 HA ALA 447 HA ALA 447 14.574 27.237 -15.250 1018 1HB ALA 447 1HB ALA 447 13.047 26.212 -12.893 1019 2HB ALA 447 2HB ALA 447 13.218 27.864 -13.486 1020 3HB ALA 447 3HB ALA 447 14.565 27.079 -12.662 1021 H ILE 448 H ILE 448 14.626 24.864 -12.694 1022 HA ILE 448 HA ILE 448 16.649 23.935 -11.886 1023 HB ILE 448 HB ILE 448 16.853 21.730 -13.277 1024 1HG1 ILE 448 2HG1 ILE 448 14.056 22.243 -14.067 1025 2HG1 ILE 448 1HG1 ILE 448 15.283 23.069 -15.022 1026 1HG2 ILE 448 1HG2 ILE 448 14.382 21.263 -12.207 1027 2HG2 ILE 448 2HG2 ILE 448 14.918 22.684 -11.312 1028 3HG2 ILE 448 3HG2 ILE 448 15.904 21.222 -11.315 1029 1HD1 ILE 448 1HD1 ILE 448 14.413 20.383 -15.198 1030 2HD1 ILE 448 2HD1 ILE 448 16.105 20.381 -14.698 1031 3HD1 ILE 448 3HD1 ILE 448 15.622 21.218 -16.173 1032 HA PRO 449 HA PRO 449 19.779 25.973 -14.549 1033 1HB PRO 449 2HB PRO 449 21.263 24.825 -12.213 1034 2HB PRO 449 1HB PRO 449 21.473 26.385 -13.019 1035 1HG PRO 449 2HG PRO 449 20.140 26.190 -10.706 1036 2HG PRO 449 1HG PRO 449 19.642 27.328 -11.970 1037 1HD PRO 449 2HD PRO 449 18.359 24.817 -11.082 1038 2HD PRO 449 1HD PRO 449 17.648 26.222 -11.899 1039 H ARG 450 H ARG 450 19.944 22.774 -13.019 1040 HA ARG 450 HA ARG 450 22.056 21.598 -14.238 1041 1HB ARG 450 2HB ARG 450 19.490 20.661 -13.211 1042 2HB ARG 450 1HB ARG 450 20.126 19.628 -14.483 1043 1HG ARG 450 2HG ARG 450 22.226 20.279 -12.660 1044 2HG ARG 450 1HG ARG 450 20.832 19.669 -11.765 1045 1HD ARG 450 2HD ARG 450 21.236 17.591 -12.442 1046 2HD ARG 450 1HD ARG 450 21.260 18.098 -14.130 1047 HE ARG 450 HE ARG 450 23.689 18.796 -12.869 1048 1HH1 ARG 450 1HH1 ARG 450 21.937 16.039 -14.077 1049 2HH1 ARG 450 2HH1 ARG 450 23.366 15.120 -14.420 1050 1HH2 ARG 450 1HH2 ARG 450 25.572 17.597 -13.317 1051 2HH2 ARG 450 2HH2 ARG 450 25.432 16.008 -13.987 1052 H SER 451 H SER 451 22.577 20.716 -16.199 1053 HA SER 451 HA SER 451 22.527 20.331 -18.444 1054 1HB SER 451 2HB SER 451 19.720 20.688 -19.010 1055 2HB SER 451 1HB SER 451 20.691 19.219 -19.088 1056 HG SER 451 HG SER 451 19.543 18.636 -17.429 1057 H GLU 452 H GLU 452 23.499 22.584 -18.243 1058 HA GLU 452 HA GLU 452 22.555 24.171 -20.364 1059 1HB GLU 452 2HB GLU 452 21.145 24.667 -18.035 1060 2HB GLU 452 1HB GLU 452 22.373 25.925 -18.036 1061 1HG GLU 452 2HG GLU 452 21.372 25.847 -20.645 1062 2HG GLU 452 1HG GLU 452 19.968 25.715 -19.588 1063 H SER 453 HN SER 453 23.797 26.270 -20.519 1064 HA SER 453 HA SER 453 26.268 26.310 -18.974 1065 1HB SER 453 2HB SER 453 26.223 25.032 -21.426 1066 2HB SER 453 1HB SER 453 26.816 26.644 -21.826 1067 HG SER 453 HG SER 453 28.602 26.262 -20.756 Start of MODEL 7 1 1H5* G 1 2H5* G 1 -17.088 -27.210 -7.156 2 2H5* G 1 1H5* G 1 -16.657 -26.457 -8.705 3 H4* G 1 H4* G 1 -18.356 -25.036 -8.037 4 H3* G 1 H3* G 1 -15.711 -24.021 -7.015 5 H2* G 1 H2* G 1 -16.694 -22.665 -5.429 6 2HO* G 1 HO2* G 1 -18.932 -21.746 -6.238 7 H1* G 1 H1* G 1 -19.445 -23.672 -5.768 8 H8 G 1 H8 G 1 -17.464 -25.822 -3.542 9 H1 G 1 H1 G 1 -19.258 -20.494 -0.534 10 1H2 G 1 1H2 G 1 -20.021 -19.020 -2.001 11 2H2 G 1 2H2 G 1 -20.088 -19.348 -3.717 12 H5T G 1 H5T G 1 -15.396 -25.841 -6.240 13 1H5* G 2 2H5* G 2 -18.616 -21.323 -8.277 14 2H5* G 2 1H5* G 2 -18.243 -20.610 -9.859 15 H4* G 2 H4* G 2 -19.299 -18.772 -9.039 16 H3* G 2 H3* G 2 -16.576 -18.685 -7.695 17 H2* G 2 H2* G 2 -17.285 -16.786 -6.453 18 2HO* G 2 HO2* G 2 -18.326 -15.711 -8.212 19 H1* G 2 H1* G 2 -19.782 -17.689 -5.828 20 H8 G 2 H8 G 2 -17.336 -20.557 -5.681 21 H1 G 2 H1 G 2 -17.124 -16.852 -0.498 22 1H2 G 2 1H2 G 2 -18.303 -15.007 -0.836 23 2H2 G 2 2H2 G 2 -19.141 -14.690 -2.338 24 1H5* G 3 2H5* G 3 -17.155 -14.399 -8.683 25 2H5* G 3 1H5* G 3 -15.524 -13.945 -9.205 26 H4* G 3 H4* G 3 -16.500 -12.726 -7.148 27 H3* G 3 H3* G 3 -13.779 -13.928 -7.519 28 H2* G 3 H2* G 3 -13.297 -14.009 -5.276 29 2HO* G 3 HO2* G 3 -14.865 -11.756 -4.632 30 H1* G 3 H1* G 3 -15.942 -13.405 -4.218 31 H8 G 3 H8 G 3 -15.307 -16.844 -5.593 32 H1 G 3 H1 G 3 -13.414 -16.220 0.471 33 1H2 G 3 1H2 G 3 -13.475 -14.094 1.069 34 2H2 G 3 2H2 G 3 -13.981 -12.824 -0.022 35 1H5* A 4 2H5* A 4 -13.714 -9.508 -5.350 36 2H5* A 4 1H5* A 4 -12.206 -8.891 -6.056 37 H4* A 4 H4* A 4 -12.311 -8.564 -3.583 38 H3* A 4 H3* A 4 -10.195 -10.328 -4.848 39 H2* A 4 H2* A 4 -9.327 -10.864 -2.749 40 2HO* A 4 HO2* A 4 -9.417 -9.496 -1.019 41 H1* A 4 H1* A 4 -11.699 -10.693 -1.243 42 H8 A 4 H8 A 4 -11.704 -12.926 -4.329 43 1H6 A 4 1H6 A 4 -9.722 -17.443 -0.633 44 2H6 A 4 2H6 A 4 -10.299 -17.058 -2.239 45 H2 A 4 H2 A 4 -9.685 -13.600 1.700 46 1H5* U 5 2H5* U 5 -8.856 -7.022 -1.724 47 2H5* U 5 1H5* U 5 -7.301 -6.454 -2.365 48 H4* U 5 H4* U 5 -7.123 -6.832 0.049 49 H3* U 5 H3* U 5 -5.645 -8.774 -1.771 50 H2* U 5 H2* U 5 -4.707 -9.767 0.198 51 2HO* U 5 HO2* U 5 -4.525 -8.686 2.035 52 H1* U 5 H1* U 5 -7.031 -9.947 1.569 53 H3 U 5 H3 U 5 -6.298 -14.162 0.085 54 H5 U 5 H5 U 5 -7.426 -12.057 -3.388 55 H6 U 5 H6 U 5 -7.424 -10.017 -2.074 56 1H5* A 6 2H5* A 6 -2.738 -7.461 1.259 57 2H5* A 6 1H5* A 6 -1.162 -7.423 0.440 58 H4* A 6 H4* A 6 -1.418 -9.021 2.458 59 H3* A 6 H3* A 6 -0.327 -9.753 -0.272 60 H2* A 6 H2* A 6 -0.075 -11.985 0.381 61 2HO* A 6 HO2* A 6 0.495 -12.552 2.392 62 H1* A 6 H1* A 6 -2.171 -12.118 2.262 63 H8 A 6 H8 A 6 -3.465 -10.977 -1.053 64 1H6 A 6 1H6 A 6 -3.547 -16.858 -2.852 65 2H6 A 6 2H6 A 6 -4.048 -15.228 -3.243 66 H2 A 6 H2 A 6 -1.296 -16.621 1.037 67 1H5* C 7 2H5* C 7 1.935 -11.405 3.213 68 2H5* C 7 1H5* C 7 3.587 -10.786 3.013 69 H4* C 7 H4* C 7 3.791 -13.074 3.707 70 H3* C 7 H3* C 7 4.343 -12.520 0.787 71 H2* C 7 H2* C 7 4.636 -14.817 0.332 72 2HO* C 7 HO2* C 7 4.361 -16.006 2.714 73 H1* C 7 H1* C 7 2.594 -15.815 1.777 74 1H4 C 7 1H4 C 7 0.183 -14.853 -4.023 75 2H4 C 7 2H4 C 7 0.212 -13.119 -3.793 76 H5 C 7 H5 C 7 1.111 -12.063 -1.822 77 H6 C 7 H6 C 7 2.170 -12.441 0.355 78 1H5* C 8 2H5* C 8 7.320 -15.778 2.305 79 2H5* C 8 1H5* C 8 8.841 -15.037 1.771 80 H4* C 8 H4* C 8 8.791 -17.356 1.037 81 H3* C 8 H3* C 8 8.422 -15.251 -1.127 82 H2* C 8 H2* C 8 8.417 -17.002 -2.743 83 2HO* C 8 HO2* C 8 9.611 -18.715 -2.407 84 H1* C 8 H1* C 8 6.810 -18.726 -1.356 85 1H4 C 8 1H4 C 8 2.848 -15.455 -5.104 86 2H4 C 8 2H4 C 8 3.080 -14.005 -4.154 87 H5 C 8 H5 C 8 4.608 -13.873 -2.297 88 H6 C 8 H6 C 8 6.241 -15.105 -0.951 89 1H5* A 9 2H5* A 9 11.401 -17.973 -2.878 90 2H5* A 9 1H5* A 9 12.317 -16.907 -3.962 91 H4* A 9 H4* A 9 10.880 -18.792 -5.025 92 H3* A 9 H3* A 9 10.845 -15.867 -5.859 93 H2* A 9 H2* A 9 9.292 -16.403 -7.542 94 2HO* A 9 HO2* A 9 9.373 -18.257 -8.609 95 H1* A 9 H1* A 9 7.992 -18.506 -6.176 96 H8 A 9 H8 A 9 8.061 -15.370 -4.124 97 1H6 A 9 1H6 A 9 3.222 -13.381 -7.371 98 2H6 A 9 2H6 A 9 4.230 -13.084 -5.973 99 H2 A 9 H2 A 9 4.821 -17.072 -9.373 100 1H5* U 10 2H5* U 10 11.555 -18.114 -9.749 101 2H5* U 10 1H5* U 10 12.653 -17.014 -10.604 102 H4* U 10 H4* U 10 10.454 -17.529 -11.795 103 H3* U 10 H3* U 10 11.424 -14.729 -11.149 104 H2* U 10 H2* U 10 9.457 -13.807 -11.961 105 2HO* U 10 HO2* U 10 9.517 -16.049 -13.685 106 H1* U 10 H1* U 10 7.774 -16.118 -11.677 107 H3 U 10 H3 U 10 5.252 -12.745 -10.032 108 H5 U 10 H5 U 10 8.512 -12.932 -7.394 109 H6 U 10 H6 U 10 9.514 -14.601 -8.835 110 1H5* G 11 2H5* G 11 10.230 -15.857 -15.654 111 2H5* G 11 1H5* G 11 10.992 -14.632 -16.685 112 H4* G 11 H4* G 11 8.451 -15.107 -16.999 113 H3* G 11 H3* G 11 9.765 -12.381 -16.758 114 H2* G 11 H2* G 11 7.678 -11.334 -16.849 115 2HO* G 11 HO2* G 11 6.064 -13.375 -17.678 116 H1* G 11 H1* G 11 6.114 -13.447 -15.765 117 H8 G 11 H8 G 11 8.815 -12.350 -13.423 118 H1 G 11 H1 G 11 3.864 -8.338 -13.440 119 1H2 G 11 1H2 G 11 2.506 -8.813 -15.127 120 2H2 G 11 2H2 G 11 2.822 -10.119 -16.248 121 1H5* U 12 2H5* U 12 6.830 -13.468 -20.262 122 2H5* U 12 1H5* U 12 7.041 -12.317 -21.597 123 H4* U 12 H4* U 12 4.643 -12.697 -20.678 124 H3* U 12 H3* U 12 5.988 -10.048 -21.249 125 H2* U 12 H2* U 12 4.141 -8.851 -20.389 126 2HO* U 12 HO2* U 12 2.511 -11.060 -19.921 127 H1* U 12 H1* U 12 3.578 -10.393 -18.239 128 H3 U 12 H3 U 12 5.333 -6.535 -16.629 129 H5 U 12 H5 U 12 8.676 -8.796 -17.841 130 H6 U 12 H6 U 12 7.151 -10.396 -18.840 131 1H5* U 13 2H5* U 13 1.655 -10.113 -21.955 132 2H5* U 13 1H5* U 13 1.252 -9.087 -23.346 133 H4* U 13 H4* U 13 0.176 -8.522 -21.039 134 H3* U 13 H3* U 13 1.489 -6.629 -22.994 135 H2* U 13 H2* U 13 1.405 -4.867 -21.497 136 2HO* U 13 HO2* U 13 -0.848 -6.192 -20.353 137 H1* U 13 H1* U 13 1.217 -6.324 -19.064 138 H3 U 13 H3 U 13 4.269 -3.013 -18.425 139 H5 U 13 H5 U 13 6.125 -5.639 -21.144 140 H6 U 13 H6 U 13 4.064 -6.905 -21.236 141 1H5* C 14 2H5* C 14 -2.373 -5.040 -21.009 142 2H5* C 14 1H5* C 14 -3.144 -4.011 -22.232 143 H4* C 14 H4* C 14 -2.654 -2.980 -19.899 144 H3* C 14 H3* C 14 -1.997 -1.761 -22.595 145 H2* C 14 H2* C 14 -0.977 0.081 -21.557 146 2HO* C 14 HO2* C 14 -2.919 0.293 -20.134 147 H1* C 14 H1* C 14 -0.019 -1.208 -19.247 148 1H4 C 14 1H4 C 14 4.945 0.210 -23.015 149 2H4 C 14 2H4 C 14 4.648 -1.241 -23.945 150 H5 C 14 H5 C 14 2.755 -2.678 -23.585 151 H6 C 14 H6 C 14 0.732 -3.040 -22.256 152 1H5* A 15 2H5* A 15 -3.405 1.384 -24.732 153 2H5* A 15 1H5* A 15 -2.463 -0.051 -24.279 154 H4* A 15 H4* A 15 -1.782 2.517 -22.900 155 H3* A 15 H3* A 15 -1.448 2.026 -25.867 156 H2* A 15 H2* A 15 0.791 2.671 -25.804 157 2HO* A 15 HO2* A 15 1.075 3.883 -23.420 158 H1* A 15 H1* A 15 1.359 2.030 -23.097 159 H8 A 15 H8 A 15 0.246 -1.056 -24.790 160 1H6 A 15 1H6 A 15 5.835 -1.547 -27.326 161 2H6 A 15 2H6 A 15 4.321 -2.368 -27.021 162 H2 A 15 H2 A 15 5.477 2.557 -25.530 163 1H5* G 16 2H5* G 16 0.306 5.348 -26.020 164 2H5* G 16 1H5* G 16 -0.006 6.142 -27.577 165 H4* G 16 H4* G 16 2.263 5.016 -27.356 166 H3* G 16 H3* G 16 0.449 5.059 -29.581 167 H2* G 16 H2* G 16 0.144 2.728 -29.709 168 2HO* G 16 HO2* G 16 2.567 2.031 -30.559 169 H1* G 16 H1* G 16 2.870 2.267 -28.475 170 H8 G 16 H8 G 16 2.970 -0.301 -28.328 171 H1 G 16 H1 G 16 -3.342 -0.928 -27.683 172 1H2 G 16 1H2 G 16 -4.311 1.069 -27.711 173 2H2 G 16 2H2 G 16 -3.400 2.553 -27.888 174 1H5* A 17 2H5* A 17 4.972 6.282 -28.099 175 2H5* A 17 1H5* A 17 4.281 6.898 -26.584 176 H4* A 17 H4* A 17 5.384 8.430 -28.938 177 H3* A 17 H3* A 17 6.504 7.849 -26.524 178 H2* A 17 H2* A 17 4.914 8.811 -25.070 179 2HO* A 17 HO2* A 17 6.321 11.149 -25.922 180 H1* A 17 H1* A 17 4.295 11.187 -26.746 181 H8 A 17 H8 A 17 2.521 7.886 -25.716 182 1H6 A 17 1H6 A 17 -1.523 11.506 -22.810 183 2H6 A 17 2H6 A 17 -1.100 9.855 -23.203 184 H2 A 17 H2 A 17 1.611 14.133 -24.672 185 1H5* A 18 2H5* A 18 10.169 9.495 -24.912 186 2H5* A 18 1H5* A 18 9.850 7.805 -24.479 187 H4* A 18 H4* A 18 9.149 10.151 -23.023 188 H3* A 18 H3* A 18 8.781 7.167 -22.713 189 H2* A 18 H2* A 18 7.046 7.449 -21.133 190 2HO* A 18 HO2* A 18 7.857 9.029 -19.802 191 H1* A 18 H1* A 18 5.681 9.443 -22.346 192 H8 A 18 H8 A 18 7.475 6.741 -24.463 193 1H6 A 18 1H6 A 18 2.025 3.894 -24.688 194 2H6 A 18 2H6 A 18 3.686 3.862 -25.236 195 H2 A 18 H2 A 18 1.596 7.523 -22.062 196 1H5* G 19 2H5* G 19 10.355 8.498 -18.791 197 2H5* G 19 1H5* G 19 10.971 7.138 -17.829 198 H4* G 19 H4* G 19 8.619 7.993 -17.249 199 H3* G 19 H3* G 19 9.448 5.143 -17.744 200 H2* G 19 H2* G 19 7.253 4.342 -17.753 201 2HO* G 19 HO2* G 19 6.687 5.334 -15.750 202 H1* G 19 H1* G 19 5.925 6.482 -18.849 203 H8 G 19 H8 G 19 8.924 5.838 -20.966 204 H1 G 19 H1 G 19 4.445 1.375 -21.774 205 1H2 G 19 1H2 G 19 2.883 1.581 -20.222 206 2H2 G 19 2H2 G 19 2.942 2.817 -18.985 207 1H5* A 20 2H5* A 20 7.240 6.120 -13.904 208 2H5* A 20 1H5* A 20 7.683 5.131 -12.497 209 H4* A 20 H4* A 20 5.198 5.364 -12.859 210 H3* A 20 H3* A 20 6.715 2.829 -12.546 211 H2* A 20 H2* A 20 5.146 1.414 -13.483 212 2HO* A 20 HO2* A 20 2.827 2.286 -13.546 213 H1* A 20 H1* A 20 3.732 3.072 -15.178 214 H8 A 20 H8 A 20 7.415 3.362 -15.835 215 1H6 A 20 1H6 A 20 6.975 -1.820 -19.148 216 2H6 A 20 2H6 A 20 8.014 -0.483 -18.714 217 H2 A 20 H2 A 20 3.092 -1.213 -16.964 218 1H5* A 21 2H5* A 21 2.316 2.608 -11.035 219 2H5* A 21 1H5* A 21 2.305 1.465 -9.678 220 H4* A 21 H4* A 21 0.707 1.014 -11.682 221 H3* A 21 H3* A 21 2.534 -0.970 -10.312 222 H2* A 21 H2* A 21 1.986 -2.647 -11.849 223 2HO* A 21 HO2* A 21 0.055 -2.160 -13.311 224 H1* A 21 H1* A 21 1.620 -1.090 -14.120 225 H8 A 21 H8 A 21 4.833 -0.318 -12.285 226 1H6 A 21 1H6 A 21 7.351 -5.115 -15.232 227 2H6 A 21 2H6 A 21 7.673 -3.743 -14.197 228 H2 A 21 H2 A 21 2.935 -5.133 -16.044 229 1H5* C 22 2H5* C 22 -1.998 -2.211 -11.048 230 2H5* C 22 1H5* C 22 -2.346 -3.598 -9.996 231 H4* C 22 H4* C 22 -2.761 -3.848 -12.554 232 H3* C 22 H3* C 22 -1.325 -5.809 -10.740 233 H2* C 22 H2* C 22 -0.886 -7.234 -12.599 234 2HO* C 22 HO2* C 22 -1.824 -6.756 -14.674 235 H1* C 22 H1* C 22 -0.016 -5.354 -14.302 236 1H4 C 22 1H4 C 22 5.029 -7.248 -10.890 237 2H4 C 22 2H4 C 22 4.652 -6.063 -9.660 238 H5 C 22 H5 C 22 2.670 -4.695 -9.711 239 H6 C 22 H6 C 22 0.627 -4.167 -10.954 240 1H5* G 23 2H5* G 23 -3.444 -7.646 -14.248 241 2H5* G 23 1H5* G 23 -4.317 -9.031 -13.565 242 H4* G 23 H4* G 23 -2.756 -9.477 -15.575 243 H3* G 23 H3* G 23 -2.684 -11.022 -12.956 244 H2* G 23 H2* G 23 -1.019 -12.424 -13.897 245 2HO* G 23 HO2* G 23 -2.204 -11.579 -16.279 246 H1* G 23 H1* G 23 0.338 -10.458 -15.305 247 H8 G 23 H8 G 23 -0.356 -9.192 -11.863 248 H1 G 23 H1 G 23 4.523 -13.298 -11.977 249 1H2 G 23 1H2 G 23 4.592 -14.340 -13.936 250 2H2 G 23 2H2 G 23 3.436 -14.021 -15.212 251 1H5* U 24 2H5* U 24 -1.924 -13.913 -15.856 252 2H5* U 24 1H5* U 24 -3.085 -15.214 -15.537 253 H4* U 24 H4* U 24 -0.726 -16.011 -15.471 254 H3* U 24 H3* U 24 -2.617 -16.198 -13.150 255 H2* U 24 H2* U 24 -0.957 -16.472 -11.588 256 2HO* U 24 HO2* U 24 -0.210 -18.343 -13.498 257 H1* U 24 H1* U 24 1.338 -16.041 -13.382 258 H3 U 24 H3 U 24 2.982 -14.814 -9.345 259 H5 U 24 H5 U 24 -0.244 -12.178 -9.981 260 H6 U 24 H6 U 24 -0.781 -13.420 -11.997 261 1H5* G 25 2H5* G 25 0.195 -19.981 -13.960 262 2H5* G 25 1H5* G 25 -0.944 -21.327 -13.768 263 H4* G 25 H4* G 25 0.968 -22.061 -12.611 264 H3* G 25 H3* G 25 -0.994 -20.769 -10.675 265 H2* G 25 H2* G 25 0.488 -21.370 -8.914 266 2HO* G 25 HO2* G 25 2.034 -22.934 -9.123 267 H1* G 25 H1* G 25 2.827 -20.770 -10.224 268 H8 G 25 H8 G 25 0.111 -18.177 -10.769 269 H1 G 25 H1 G 25 3.412 -17.280 -5.395 270 1H2 G 25 1H2 G 25 4.707 -19.028 -4.996 271 2H2 G 25 2H2 G 25 4.758 -20.422 -6.052 272 1H5* G 26 2H5* G 26 -0.105 -24.881 -8.855 273 2H5* G 26 1H5* G 26 -1.633 -25.229 -8.024 274 H4* G 26 H4* G 26 0.508 -25.078 -6.580 275 H3* G 26 H3* G 26 -2.122 -23.669 -6.052 276 H2* G 26 H2* G 26 -1.211 -22.537 -4.232 277 2HO* G 26 HO2* G 26 0.958 -24.344 -3.994 278 H1* G 26 H1* G 26 1.532 -22.610 -5.026 279 H8 G 26 H8 G 26 -0.804 -20.802 -7.372 280 H1 G 26 H1 G 26 1.134 -17.180 -2.505 281 1H2 G 26 1H2 G 26 2.171 -18.426 -0.995 282 2H2 G 26 2H2 G 26 2.385 -20.152 -1.189 283 1H5* U 27 2H5* U 27 0.071 -25.547 -2.304 284 2H5* U 27 1H5* U 27 -1.280 -26.456 -1.598 285 H4* U 27 H4* U 27 -0.141 -25.289 0.190 286 H3* U 27 H3* U 27 -2.837 -24.153 -0.628 287 H2* U 27 H2* U 27 -2.637 -22.506 1.068 288 2HO* U 27 HO2* U 27 -0.508 -24.138 2.052 289 H1* U 27 H1* U 27 -0.003 -21.900 0.687 290 H3 U 27 H3 U 27 -2.007 -18.236 -0.982 291 H5 U 27 H5 U 27 -3.144 -21.271 -3.676 292 H6 U 27 H6 U 27 -2.031 -22.877 -2.235 293 1H5* A 28 2H5* A 28 -2.110 -23.755 3.722 294 2H5* A 28 1H5* A 28 -3.647 -24.236 4.462 295 H4* A 28 H4* A 28 -2.750 -21.903 5.062 296 H3* A 28 H3* A 28 -5.525 -22.642 4.182 297 H2* A 28 H2* A 28 -6.127 -20.486 3.661 298 2HO* A 28 HO2* A 28 -4.392 -19.498 5.691 299 H1* A 28 H1* A 28 -3.511 -19.245 3.749 300 H8 A 28 H8 A 28 -4.523 -21.482 0.861 301 1H6 A 28 1H6 A 28 -6.401 -16.347 -1.997 302 2H6 A 28 2H6 A 28 -6.108 -18.062 -2.181 303 H2 A 28 H2 A 28 -5.374 -15.286 2.246 304 1H5* U 29 2H5* U 29 -4.953 -19.436 7.375 305 2H5* U 29 1H5* U 29 -6.049 -19.823 8.716 306 H4* U 29 H4* U 29 -6.201 -17.469 8.467 307 H3* U 29 H3* U 29 -8.498 -18.932 7.118 308 H2* U 29 H2* U 29 -9.407 -16.845 6.475 309 2HO* U 29 HO2* U 29 -8.787 -14.905 7.439 310 H1* U 29 H1* U 29 -7.050 -15.565 5.872 311 H3 U 29 H3 U 29 -9.156 -15.896 1.887 312 H5 U 29 H5 U 29 -7.952 -19.845 2.734 313 H6 U 29 H6 U 29 -7.231 -19.089 4.925 314 1H5* C 30 2H5* C 30 -9.667 -15.059 8.981 315 2H5* C 30 1H5* C 30 -11.239 -15.368 9.742 316 H4* C 30 H4* C 30 -11.228 -13.452 8.092 317 H3* C 30 H3* C 30 -13.028 -15.873 7.651 318 H2* C 30 H2* C 30 -13.966 -14.714 5.817 319 2HO* C 30 HO2* C 30 -13.005 -12.457 7.203 320 H1* C 30 H1* C 30 -11.616 -13.448 4.988 321 1H4 C 30 1H4 C 30 -12.798 -18.057 0.780 322 2H4 C 30 2H4 C 30 -12.309 -19.280 1.933 323 H5 C 30 H5 C 30 -11.698 -18.779 4.209 324 H6 C 30 H6 C 30 -11.424 -16.995 5.869 325 1H5* U 31 2H5* U 31 -14.985 -12.492 6.400 326 2H5* U 31 1H5* U 31 -16.554 -12.427 7.225 327 H4* U 31 H4* U 31 -16.963 -12.271 4.849 328 H3* U 31 H3* U 31 -17.636 -14.950 6.114 329 H2* U 31 H2* U 31 -18.274 -15.778 4.033 330 2HO* U 31 HO2* U 31 -19.275 -14.544 2.518 331 H1* U 31 H1* U 31 -16.679 -14.049 2.415 332 H3 U 31 H3 U 31 -15.797 -18.123 0.692 333 H5 U 31 H5 U 31 -14.429 -18.410 4.663 334 H6 U 31 H6 U 31 -15.306 -16.189 5.063 335 1H5* C 32 2H5* C 32 -20.767 -12.767 3.672 336 2H5* C 32 1H5* C 32 -22.416 -13.217 4.153 337 H4* C 32 H4* C 32 -21.949 -13.420 1.673 338 H3* C 32 H3* C 32 -22.760 -15.818 3.346 339 H2* C 32 H2* C 32 -22.808 -17.133 1.420 340 2HO* C 32 HO2* C 32 -22.920 -14.672 -0.031 341 H1* C 32 H1* C 32 -20.700 -15.826 0.079 342 1H4 C 32 1H4 C 32 -18.527 -21.527 1.902 343 2H4 C 32 2H4 C 32 -18.407 -20.981 3.559 344 H5 C 32 H5 C 32 -19.151 -18.805 4.292 345 H6 C 32 H6 C 32 -20.167 -16.693 3.590 346 H3T C 32 H3T C 32 -24.692 -15.249 1.881 347 1H GLY 364 1HT GLY 364 -8.287 11.549 -16.756 348 2H GLY 364 2HT GLY 364 -9.801 10.837 -16.505 349 3H GLY 364 3HT GLY 364 -9.572 11.899 -17.802 350 1HA GLY 364 1HA GLY 364 -9.219 10.113 -19.054 351 2HA GLY 364 2HA GLY 364 -7.663 10.033 -18.242 352 H SER 365 H SER 365 -8.641 9.322 -15.661 353 HA SER 365 HA SER 365 -9.027 7.436 -14.447 354 1HB SER 365 2HB SER 365 -11.112 6.923 -16.584 355 2HB SER 365 1HB SER 365 -11.068 6.193 -14.979 356 HG SER 365 HG SER 365 -12.413 8.215 -15.454 357 H LEU 366 H LEU 366 -6.852 7.185 -16.078 358 HA LEU 366 HA LEU 366 -6.935 4.328 -16.707 359 1HB LEU 366 2HB LEU 366 -7.056 6.108 -18.725 360 2HB LEU 366 1HB LEU 366 -5.316 5.986 -18.536 361 HG LEU 366 HG LEU 366 -6.697 3.397 -18.622 362 1HD1 LEU 366 1HD1 LEU 366 -6.878 3.545 -21.139 363 2HD1 LEU 366 2HD1 LEU 366 -6.793 5.297 -20.949 364 3HD1 LEU 366 3HD1 LEU 366 -8.118 4.394 -20.216 365 1HD2 LEU 366 1HD2 LEU 366 -4.493 4.309 -20.419 366 2HD2 LEU 366 2HD2 LEU 366 -4.786 2.717 -19.719 367 3HD2 LEU 366 3HD2 LEU 366 -4.172 4.025 -18.708 368 H ASP 367 H ASP 367 -5.320 3.266 -15.804 369 HA ASP 367 HA ASP 367 -3.441 4.396 -14.118 370 1HB ASP 367 2HB ASP 367 -2.182 2.132 -14.635 371 2HB ASP 367 1HB ASP 367 -3.708 2.132 -13.753 372 H MET 368 H MET 368 -2.616 2.843 -17.223 373 HA MET 368 HA MET 368 -0.057 3.623 -17.548 374 1HB MET 368 2HB MET 368 -1.647 2.357 -19.170 375 2HB MET 368 1HB MET 368 -1.933 3.944 -19.869 376 1HG MET 368 2HG MET 368 0.717 2.535 -19.641 377 2HG MET 368 1HG MET 368 -0.227 2.778 -21.110 378 1HE MET 368 1HE MET 368 -0.254 6.731 -21.184 379 2HE MET 368 2HE MET 368 -1.362 5.371 -20.996 380 3HE MET 368 3HE MET 368 -0.286 5.447 -22.392 381 H ASN 369 H ASN 369 -2.893 5.624 -18.314 382 HA ASN 369 HA ASN 369 -1.554 7.848 -19.322 383 1HB ASN 369 2HB ASN 369 -4.203 7.425 -18.002 384 2HB ASN 369 1HB ASN 369 -3.643 9.075 -18.257 385 1HD2 ASN 369 1HD2 ASN 369 -2.875 6.400 -20.372 386 2HD2 ASN 369 2HD2 ASN 369 -3.803 6.950 -21.721 387 H ALA 370 H ALA 370 -2.628 7.231 -15.975 388 HA ALA 370 HA ALA 370 -1.655 9.522 -14.782 389 1HB ALA 370 1HB ALA 370 -2.889 7.330 -13.829 390 2HB ALA 370 2HB ALA 370 -2.102 8.528 -12.801 391 3HB ALA 370 3HB ALA 370 -1.254 7.042 -13.231 392 H LYS 371 H LYS 371 0.053 6.390 -14.602 393 HA LYS 371 HA LYS 371 2.450 7.012 -13.689 394 1HB LYS 371 2HB LYS 371 2.108 5.439 -16.250 395 2HB LYS 371 1HB LYS 371 3.454 5.321 -15.127 396 1HG LYS 371 2HG LYS 371 2.377 3.840 -13.879 397 2HG LYS 371 1HG LYS 371 0.954 4.877 -13.770 398 1HD LYS 371 2HD LYS 371 0.017 3.982 -15.728 399 2HD LYS 371 1HD LYS 371 1.546 3.258 -16.231 400 1HE LYS 371 2HE LYS 371 -0.064 1.591 -15.386 401 2HE LYS 371 1HE LYS 371 1.419 1.651 -14.433 402 1HZ LYS 371 1HZ LYS 371 -0.771 1.558 -13.179 403 2HZ LYS 371 2HZ LYS 371 -0.992 3.170 -13.641 404 3HZ LYS 371 3HZ LYS 371 0.339 2.739 -12.691 405 H ARG 372 H ARG 372 1.634 7.506 -17.128 406 HA ARG 372 HA ARG 372 3.999 8.669 -17.958 407 1HB ARG 372 2HB ARG 372 2.081 8.045 -19.434 408 2HB ARG 372 1HB ARG 372 1.235 9.483 -18.878 409 1HG ARG 372 2HG ARG 372 3.320 10.756 -19.706 410 2HG ARG 372 1HG ARG 372 3.670 9.276 -20.602 411 1HD ARG 372 2HD ARG 372 2.023 9.639 -22.083 412 2HD ARG 372 1HD ARG 372 0.903 10.208 -20.846 413 HE ARG 372 HE ARG 372 2.750 11.816 -22.412 414 1HH1 ARG 372 1HH1 ARG 372 0.523 11.652 -19.735 415 2HH1 ARG 372 2HH1 ARG 372 0.271 13.365 -19.676 416 1HH2 ARG 372 1HH2 ARG 372 2.421 14.071 -22.339 417 2HH2 ARG 372 2HH2 ARG 372 1.349 14.738 -21.153 418 H GLN 373 H GLN 373 1.168 10.245 -16.504 419 HA GLN 373 HA GLN 373 2.066 12.883 -16.652 420 1HB GLN 373 2HB GLN 373 -0.128 11.558 -15.564 421 2HB GLN 373 1HB GLN 373 0.628 12.324 -14.174 422 1HG GLN 373 2HG GLN 373 -0.208 13.714 -16.714 423 2HG GLN 373 1HG GLN 373 -1.093 13.731 -15.191 424 1HE2 GLN 373 1HE2 GLN 373 1.557 13.826 -13.744 425 2HE2 GLN 373 2HE2 GLN 373 2.040 15.478 -13.853 426 H LEU 374 H LEU 374 2.510 10.476 -14.104 427 HA LEU 374 HA LEU 374 3.826 11.991 -12.219 428 1HB LEU 374 2HB LEU 374 4.552 9.137 -12.800 429 2HB LEU 374 1HB LEU 374 4.555 9.968 -11.254 430 HG LEU 374 HG LEU 374 2.256 8.836 -12.786 431 1HD1 LEU 374 1HD1 LEU 374 3.302 7.554 -10.982 432 2HD1 LEU 374 2HD1 LEU 374 1.639 7.993 -10.593 433 3HD1 LEU 374 3HD1 LEU 374 2.978 8.875 -9.860 434 1HD2 LEU 374 1HD2 LEU 374 2.260 11.352 -11.240 435 2HD2 LEU 374 2HD2 LEU 374 0.955 10.215 -10.892 436 3HD2 LEU 374 3HD2 LEU 374 1.189 10.811 -12.535 437 H TYR 375 H TYR 375 5.575 9.718 -14.366 438 HA TYR 375 HA TYR 375 8.020 11.178 -13.856 439 1HB TYR 375 2HB TYR 375 7.347 8.598 -15.199 440 2HB TYR 375 1HB TYR 375 8.913 9.345 -15.502 441 HD1 TYR 375 HD1 TYR 375 10.233 7.641 -14.451 442 HD2 TYR 375 HD2 TYR 375 7.132 9.594 -12.293 443 HE1 TYR 375 HE1 TYR 375 11.096 6.686 -12.356 444 HE2 TYR 375 HE2 TYR 375 7.986 8.644 -10.193 445 HH TYR 375 HH TYR 375 10.285 7.784 -9.362 446 H SER 376 H SER 376 5.985 10.543 -16.706 447 HA SER 376 HA SER 376 7.735 11.804 -18.534 448 1HB SER 376 2HB SER 376 5.629 10.217 -18.878 449 2HB SER 376 1HB SER 376 4.803 11.763 -19.067 450 HG SER 376 HG SER 376 5.987 12.203 -20.831 451 H LEU 377 H LEU 377 5.283 13.045 -16.365 452 HA LEU 377 HA LEU 377 5.541 15.687 -17.621 453 1HB LEU 377 2HB LEU 377 3.330 14.257 -16.565 454 2HB LEU 377 1HB LEU 377 3.588 15.661 -15.547 455 HG LEU 377 HG LEU 377 1.972 16.057 -17.368 456 1HD1 LEU 377 1HD1 LEU 377 2.647 18.142 -16.963 457 2HD1 LEU 377 2HD1 LEU 377 3.691 17.979 -18.375 458 3HD1 LEU 377 3HD1 LEU 377 4.325 17.635 -16.767 459 1HD2 LEU 377 1HD2 LEU 377 3.976 14.781 -18.924 460 2HD2 LEU 377 2HD2 LEU 377 3.751 16.417 -19.541 461 3HD2 LEU 377 3HD2 LEU 377 2.374 15.322 -19.422 462 H ILE 378 H ILE 378 6.036 13.884 -14.658 463 HA ILE 378 HA ILE 378 7.513 16.162 -13.570 464 HB ILE 378 HB ILE 378 5.947 14.469 -11.671 465 1HG1 ILE 378 2HG1 ILE 378 4.388 15.208 -13.532 466 2HG1 ILE 378 1HG1 ILE 378 3.944 15.733 -11.912 467 1HG2 ILE 378 1HG2 ILE 378 7.665 16.479 -11.284 468 2HG2 ILE 378 2HG2 ILE 378 6.308 16.166 -10.203 469 3HG2 ILE 378 3HG2 ILE 378 6.178 17.414 -11.442 470 1HD1 ILE 378 1HD1 ILE 378 5.573 17.533 -13.635 471 2HD1 ILE 378 2HD1 ILE 378 4.438 17.930 -12.345 472 3HD1 ILE 378 3HD1 ILE 378 3.837 17.389 -13.912 473 H GLY 379 H GLY 379 7.873 14.523 -11.063 474 1HA GLY 379 2HA GLY 379 9.773 13.347 -10.381 475 2HA GLY 379 1HA GLY 379 8.800 12.072 -11.093 476 H TYR 380 H TYR 380 11.249 14.511 -11.936 477 HA TYR 380 HA TYR 380 12.069 12.925 -14.230 478 1HB TYR 380 2HB TYR 380 13.746 14.838 -14.506 479 2HB TYR 380 1HB TYR 380 12.044 15.224 -14.721 480 HD1 TYR 380 HD1 TYR 380 15.034 15.846 -12.798 481 HD2 TYR 380 HD2 TYR 380 10.823 16.436 -12.899 482 HE1 TYR 380 HE1 TYR 380 15.248 17.620 -11.112 483 HE2 TYR 380 HE2 TYR 380 11.025 18.212 -11.210 484 HH TYR 380 HH TYR 380 13.616 18.642 -9.297 485 H ALA 381 H ALA 381 13.667 14.293 -11.336 486 HA ALA 381 HA ALA 381 15.040 11.929 -10.696 487 1HB ALA 381 1HB ALA 381 17.082 12.057 -11.661 488 2HB ALA 381 2HB ALA 381 17.079 13.821 -11.693 489 3HB ALA 381 3HB ALA 381 16.174 12.914 -12.907 490 H SER 382 H SER 382 15.429 15.462 -10.722 491 HA SER 382 HA SER 382 16.548 15.434 -8.049 492 1HB SER 382 2HB SER 382 15.765 17.995 -9.343 493 2HB SER 382 1HB SER 382 17.230 17.584 -8.451 494 HG SER 382 HG SER 382 17.657 16.190 -10.399 495 H LEU 383 H LEU 383 13.638 14.741 -8.808 496 HA LEU 383 HA LEU 383 12.272 16.680 -7.073 497 1HB LEU 383 2HB LEU 383 11.504 15.784 -9.490 498 2HB LEU 383 1HB LEU 383 10.739 14.571 -8.482 499 HG LEU 383 HG LEU 383 9.758 16.585 -7.182 500 1HD1 LEU 383 1HD1 LEU 383 9.713 18.150 -9.625 501 2HD1 LEU 383 2HD1 LEU 383 11.334 18.000 -8.947 502 3HD1 LEU 383 3HD1 LEU 383 10.023 18.652 -7.963 503 1HD2 LEU 383 1HD2 LEU 383 8.884 15.845 -9.969 504 2HD2 LEU 383 2HD2 LEU 383 7.897 16.749 -8.821 505 3HD2 LEU 383 3HD2 LEU 383 8.379 15.093 -8.457 506 H ARG 384 H ARG 384 13.234 13.362 -7.349 507 HA ARG 384 HA ARG 384 13.206 11.621 -5.890 508 1HB ARG 384 2HB ARG 384 14.046 13.495 -4.367 509 2HB ARG 384 1HB ARG 384 12.403 13.573 -3.741 510 1HG ARG 384 2HG ARG 384 13.234 12.125 -2.229 511 2HG ARG 384 1HG ARG 384 12.838 10.948 -3.483 512 1HD ARG 384 2HD ARG 384 15.132 10.720 -2.495 513 2HD ARG 384 1HD ARG 384 15.085 10.882 -4.250 514 HE ARG 384 HE ARG 384 16.161 12.907 -4.070 515 1HH1 ARG 384 1HH1 ARG 384 15.082 11.859 -0.931 516 2HH1 ARG 384 2HH1 ARG 384 15.966 13.078 -0.075 517 1HH2 ARG 384 1HH2 ARG 384 17.332 14.517 -2.955 518 2HH2 ARG 384 2HH2 ARG 384 17.247 14.588 -1.227 519 H LEU 385 H LEU 385 10.652 12.862 -7.108 520 HA LEU 385 HA LEU 385 8.435 12.487 -5.547 521 1HB LEU 385 2HB LEU 385 8.582 13.238 -7.984 522 2HB LEU 385 1HB LEU 385 8.571 11.534 -8.397 523 HG LEU 385 HG LEU 385 6.382 12.564 -6.660 524 1HD1 LEU 385 1HD1 LEU 385 6.667 14.208 -8.521 525 2HD1 LEU 385 2HD1 LEU 385 5.111 13.376 -8.501 526 3HD1 LEU 385 3HD1 LEU 385 6.357 12.889 -9.651 527 1HD2 LEU 385 1HD2 LEU 385 7.003 10.197 -8.126 528 2HD2 LEU 385 2HD2 LEU 385 5.515 10.895 -8.765 529 3HD2 LEU 385 3HD2 LEU 385 5.642 10.508 -7.049 530 H HIS 386 H HIS 386 7.475 10.847 -4.568 531 HA HIS 386 HA HIS 386 7.728 8.156 -5.573 532 1HB HIS 386 2HB HIS 386 9.035 7.190 -3.935 533 2HB HIS 386 1HB HIS 386 9.825 8.751 -4.127 534 HD1 HIS 386 HD1 HIS 386 10.479 9.650 -1.930 535 HD2 HIS 386 HD2 HIS 386 6.889 7.569 -1.721 536 HE1 HIS 386 HE1 HIS 386 9.743 9.816 0.470 537 HE2 HIS 386 HE2 HIS 386 7.559 8.564 0.570 538 H TYR 387 H TYR 387 6.096 6.884 -4.996 539 HA TYR 387 HA TYR 387 3.984 8.024 -3.364 540 1HB TYR 387 2HB TYR 387 4.199 5.644 -5.186 541 2HB TYR 387 1HB TYR 387 2.845 5.800 -4.071 542 HD1 TYR 387 HD1 TYR 387 4.673 8.113 -6.348 543 HD2 TYR 387 HD2 TYR 387 0.934 6.530 -5.102 544 HE1 TYR 387 HE1 TYR 387 3.537 9.556 -7.963 545 HE2 TYR 387 HE2 TYR 387 -0.225 7.967 -6.712 546 HH TYR 387 HH TYR 387 1.106 9.343 -9.241 547 H VAL 388 H VAL 388 2.869 6.646 -1.795 548 HA VAL 388 HA VAL 388 4.562 4.632 -0.514 549 HB VAL 388 HB VAL 388 3.458 5.836 1.678 550 1HG1 VAL 388 1HG1 VAL 388 5.696 5.052 1.656 551 2HG1 VAL 388 2HG1 VAL 388 5.769 6.773 2.033 552 3HG1 VAL 388 3HG1 VAL 388 6.163 6.211 0.409 553 1HG2 VAL 388 1HG2 VAL 388 4.038 8.248 1.472 554 2HG2 VAL 388 2HG2 VAL 388 2.662 7.755 0.488 555 3HG2 VAL 388 3HG2 VAL 388 4.236 8.006 -0.264 556 H THR 389 H THR 389 3.408 3.072 0.651 557 HA THR 389 HA THR 389 0.506 3.121 0.149 558 HB THR 389 HB THR 389 2.511 0.956 -0.071 559 HG1 THR 389 HG1 THR 389 1.237 0.422 -1.819 560 1HG2 THR 389 1HG2 THR 389 0.326 -0.601 0.115 561 2HG2 THR 389 2HG2 THR 389 -0.068 0.598 1.348 562 3HG2 THR 389 3HG2 THR 389 1.428 -0.331 1.466 563 H VAL 390 H VAL 390 -0.541 3.659 1.908 564 HA VAL 390 HA VAL 390 0.386 2.590 4.485 565 HB VAL 390 HB VAL 390 -0.837 4.454 5.542 566 1HG1 VAL 390 1HG1 VAL 390 0.716 6.186 3.962 567 2HG1 VAL 390 2HG1 VAL 390 1.547 4.630 3.967 568 3HG1 VAL 390 3HG1 VAL 390 1.158 5.428 5.492 569 1HG2 VAL 390 1HG2 VAL 390 -1.242 5.460 2.725 570 2HG2 VAL 390 2HG2 VAL 390 -1.709 6.283 4.214 571 3HG2 VAL 390 3HG2 VAL 390 -2.500 4.775 3.756 572 H LYS 391 H LYS 391 -1.231 1.915 5.995 573 HA LYS 391 HA LYS 391 -3.128 0.836 6.634 574 1HB LYS 391 2HB LYS 391 -4.145 2.950 5.521 575 2HB LYS 391 1HB LYS 391 -4.552 1.864 4.200 576 1HG LYS 391 2HG LYS 391 -5.685 2.058 6.923 577 2HG LYS 391 1HG LYS 391 -6.474 1.715 5.382 578 1HD LYS 391 2HD LYS 391 -5.512 -0.548 5.413 579 2HD LYS 391 1HD LYS 391 -4.763 -0.198 6.972 580 1HE LYS 391 2HE LYS 391 -7.584 0.414 7.008 581 2HE LYS 391 1HE LYS 391 -7.304 -1.257 6.518 582 1HZ LYS 391 1HZ LYS 391 -6.830 0.029 9.079 583 2HZ LYS 391 2HZ LYS 391 -5.645 -1.071 8.583 584 3HZ LYS 391 3HZ LYS 391 -7.254 -1.572 8.731 585 H LYS 392 H LYS 392 -1.662 -0.977 5.871 586 HA LYS 392 HA LYS 392 -1.897 -2.231 3.417 587 1HB LYS 392 2HB LYS 392 -1.536 -3.665 6.047 588 2HB LYS 392 1HB LYS 392 -0.996 -4.199 4.460 589 1HG LYS 392 2HG LYS 392 0.029 -1.583 5.340 590 2HG LYS 392 1HG LYS 392 0.588 -2.981 6.260 591 1HD LYS 392 2HD LYS 392 0.930 -3.953 3.804 592 2HD LYS 392 1HD LYS 392 1.088 -2.235 3.433 593 1HE LYS 392 2HE LYS 392 2.809 -2.060 5.208 594 2HE LYS 392 1HE LYS 392 2.694 -3.803 5.449 595 1HZ LYS 392 1HZ LYS 392 4.214 -2.395 3.553 596 2HZ LYS 392 2HZ LYS 392 3.090 -3.352 2.728 597 3HZ LYS 392 3HZ LYS 392 4.159 -4.063 3.829 598 HA PRO 393 HA PRO 393 -5.939 -3.981 3.324 599 1HB PRO 393 2HB PRO 393 -4.913 -6.212 1.744 600 2HB PRO 393 1HB PRO 393 -5.969 -4.897 1.242 601 1HG PRO 393 2HG PRO 393 -3.426 -5.095 0.378 602 2HG PRO 393 1HG PRO 393 -4.215 -3.531 0.646 603 1HD PRO 393 2HD PRO 393 -2.284 -5.001 2.404 604 2HD PRO 393 1HD PRO 393 -2.344 -3.274 1.991 605 H THR 394 H THR 394 -7.173 -5.936 3.782 606 HA THR 394 HA THR 394 -5.817 -8.138 5.077 607 HB THR 394 HB THR 394 -6.460 -7.849 7.258 608 HG1 THR 394 HG1 THR 394 -8.555 -6.219 6.248 609 1HG2 THR 394 1HG2 THR 394 -4.907 -6.048 6.704 610 2HG2 THR 394 2HG2 THR 394 -6.045 -5.537 7.949 611 3HG2 THR 394 3HG2 THR 394 -6.261 -4.999 6.284 612 H ALA 395 H ALA 395 -7.394 -9.782 5.897 613 HA ALA 395 HA ALA 395 -9.457 -10.160 3.925 614 1HB ALA 395 1HB ALA 395 -9.847 -12.248 5.519 615 2HB ALA 395 2HB ALA 395 -8.219 -11.821 6.046 616 3HB ALA 395 3HB ALA 395 -8.529 -12.192 4.348 617 H VAL 396 H VAL 396 -9.423 -8.277 6.518 618 HA VAL 396 HA VAL 396 -12.283 -8.659 7.049 619 HB VAL 396 HB VAL 396 -12.033 -8.165 9.370 620 1HG1 VAL 396 1HG1 VAL 396 -10.678 -10.026 10.173 621 2HG1 VAL 396 2HG1 VAL 396 -9.887 -10.141 8.601 622 3HG1 VAL 396 3HG1 VAL 396 -11.607 -10.495 8.749 623 1HG2 VAL 396 1HG2 VAL 396 -10.415 -6.817 10.072 624 2HG2 VAL 396 2HG2 VAL 396 -9.593 -6.960 8.518 625 3HG2 VAL 396 3HG2 VAL 396 -9.244 -8.111 9.809 626 H ASP 397 H ASP 397 -10.411 -6.915 5.403 627 HA ASP 397 HA ASP 397 -11.850 -4.653 5.148 628 1HB ASP 397 2HB ASP 397 -10.561 -2.918 6.377 629 2HB ASP 397 1HB ASP 397 -11.399 -4.030 7.453 630 HA PRO 398 HA PRO 398 -8.199 -5.904 2.316 631 1HB PRO 398 2HB PRO 398 -10.425 -4.908 0.589 632 2HB PRO 398 1HB PRO 398 -9.265 -6.206 0.287 633 1HG PRO 398 2HG PRO 398 -11.781 -6.712 1.086 634 2HG PRO 398 1HG PRO 398 -10.414 -7.720 1.587 635 1HD PRO 398 2HD PRO 398 -12.029 -5.839 3.166 636 2HD PRO 398 1HD PRO 398 -10.995 -7.173 3.708 637 H ASN 399 H ASN 399 -10.461 -3.233 1.816 638 HA ASN 399 HA ASN 399 -9.354 -1.392 0.419 639 1HB ASN 399 2HB ASN 399 -10.100 0.395 1.951 640 2HB ASN 399 1HB ASN 399 -11.297 -0.886 1.771 641 1HD2 ASN 399 1HD2 ASN 399 -8.571 0.057 3.819 642 2HD2 ASN 399 2HD2 ASN 399 -9.278 -0.483 5.294 643 H SER 400 H SER 400 -7.653 -0.078 0.214 644 HA SER 400 HA SER 400 -5.734 0.199 2.394 645 1HB SER 400 2HB SER 400 -5.235 -1.755 0.623 646 2HB SER 400 1HB SER 400 -4.562 -0.396 -0.278 647 HG SER 400 HG SER 400 -3.730 -0.180 2.221 648 H ILE 401 H ILE 401 -4.625 2.156 2.339 649 HA ILE 401 HA ILE 401 -5.448 3.968 0.195 650 HB ILE 401 HB ILE 401 -6.356 4.801 2.155 651 1HG1 ILE 401 2HG1 ILE 401 -4.183 6.544 2.734 652 2HG1 ILE 401 1HG1 ILE 401 -4.147 6.214 1.008 653 1HG2 ILE 401 1HG2 ILE 401 -3.986 3.662 3.419 654 2HG2 ILE 401 2HG2 ILE 401 -5.644 3.769 3.997 655 3HG2 ILE 401 3HG2 ILE 401 -4.568 5.159 4.139 656 1HD1 ILE 401 1HD1 ILE 401 -5.814 7.611 0.666 657 2HD1 ILE 401 2HD1 ILE 401 -5.764 8.035 2.377 658 3HD1 ILE 401 3HD1 ILE 401 -6.831 6.747 1.819 659 H VAL 402 H VAL 402 -4.023 5.160 -0.884 660 HA VAL 402 HA VAL 402 -1.186 4.530 -0.478 661 HB VAL 402 HB VAL 402 -1.967 6.011 -2.914 662 1HG1 VAL 402 1HG1 VAL 402 0.003 4.049 -2.024 663 2HG1 VAL 402 2HG1 VAL 402 0.114 5.279 -3.283 664 3HG1 VAL 402 3HG1 VAL 402 -0.636 3.721 -3.634 665 1HG2 VAL 402 1HG2 VAL 402 -3.271 3.472 -2.143 666 2HG2 VAL 402 2HG2 VAL 402 -2.628 3.554 -3.787 667 3HG2 VAL 402 3HG2 VAL 402 -3.813 4.742 -3.241 668 H GLU 403 H GLU 403 0.232 6.471 -1.381 669 HA GLU 403 HA GLU 403 -0.804 9.072 -0.715 670 1HB GLU 403 2HB GLU 403 0.795 7.543 1.214 671 2HB GLU 403 1HB GLU 403 1.403 9.162 0.895 672 1HG GLU 403 2HG GLU 403 -0.910 10.012 1.372 673 2HG GLU 403 1HG GLU 403 -1.309 8.388 1.928 674 H CYS 404 H CYS 404 -0.120 10.081 -2.489 675 HA CYS 404 HA CYS 404 2.512 9.506 -3.590 676 1HB CYS 404 2HB CYS 404 1.054 11.699 -4.848 677 2HB CYS 404 1HB CYS 404 1.686 10.222 -5.558 678 HG CYS 404 HG CYS 404 -0.763 9.392 -4.207 679 H ARG 405 H ARG 405 4.264 10.752 -3.229 680 HA ARG 405 HA ARG 405 3.929 13.530 -2.517 681 1HB ARG 405 2HB ARG 405 4.562 13.483 -0.322 682 2HB ARG 405 1HB ARG 405 3.708 11.948 -0.420 683 1HG ARG 405 2HG ARG 405 5.693 10.712 -0.415 684 2HG ARG 405 1HG ARG 405 6.678 12.114 -0.832 685 1HD ARG 405 2HD ARG 405 6.348 13.076 1.333 686 2HD ARG 405 1HD ARG 405 5.158 11.846 1.754 687 HE ARG 405 HE ARG 405 7.712 10.729 1.111 688 1HH1 ARG 405 1HH1 ARG 405 5.850 12.252 3.630 689 2HH1 ARG 405 2HH1 ARG 405 6.763 11.536 4.916 690 1HH2 ARG 405 1HH2 ARG 405 8.923 9.781 2.801 691 2HH2 ARG 405 2HH2 ARG 405 8.510 10.134 4.445 692 H VAL 406 H VAL 406 6.134 14.501 -1.939 693 HA VAL 406 HA VAL 406 8.261 13.242 -3.536 694 HB VAL 406 HB VAL 406 8.720 15.878 -3.998 695 1HG1 VAL 406 1HG1 VAL 406 7.161 13.842 -5.551 696 2HG1 VAL 406 2HG1 VAL 406 8.830 14.369 -5.777 697 3HG1 VAL 406 3HG1 VAL 406 7.500 15.443 -6.212 698 1HG2 VAL 406 1HG2 VAL 406 6.750 16.721 -2.995 699 2HG2 VAL 406 2HG2 VAL 406 5.747 15.503 -3.783 700 3HG2 VAL 406 3HG2 VAL 406 6.482 16.791 -4.737 701 H GLY 407 H GLY 407 10.230 13.273 -2.598 702 1HA GLY 407 2HA GLY 407 10.845 13.565 -0.059 703 2HA GLY 407 1HA GLY 407 11.982 14.069 -1.297 704 H ASP 408 H ASP 408 10.325 16.326 -2.159 705 HA ASP 408 HA ASP 408 11.408 18.337 -0.562 706 1HB ASP 408 2HB ASP 408 10.481 18.517 -2.940 707 2HB ASP 408 1HB ASP 408 8.891 18.657 -2.194 708 H GLY 409 H GLY 409 8.733 16.320 -0.028 709 1HA GLY 409 2HA GLY 409 7.642 16.154 2.054 710 2HA GLY 409 1HA GLY 409 8.044 17.836 2.373 711 H THR 410 H THR 410 6.624 16.590 -0.590 712 HA THR 410 HA THR 410 4.109 17.955 0.111 713 HB THR 410 HB THR 410 5.651 18.139 -2.471 714 HG1 THR 410 HG1 THR 410 4.795 20.465 -1.859 715 1HG2 THR 410 1HG2 THR 410 3.394 19.657 -2.838 716 2HG2 THR 410 2HG2 THR 410 2.762 18.209 -2.055 717 3HG2 THR 410 3HG2 THR 410 3.689 18.071 -3.549 718 H VAL 411 H VAL 411 2.383 16.728 -0.042 719 HA VAL 411 HA VAL 411 2.542 14.106 -1.305 720 HB VAL 411 HB VAL 411 0.267 15.358 0.246 721 1HG1 VAL 411 1HG1 VAL 411 -0.410 13.525 -1.237 722 2HG1 VAL 411 2HG1 VAL 411 -0.569 13.090 0.465 723 3HG1 VAL 411 3HG1 VAL 411 0.791 12.477 -0.477 724 1HG2 VAL 411 1HG2 VAL 411 1.330 13.409 1.840 725 2HG2 VAL 411 2HG2 VAL 411 1.641 15.137 1.998 726 3HG2 VAL 411 3HG2 VAL 411 2.769 14.115 1.107 727 H LEU 412 H LEU 412 2.524 14.650 -3.531 728 HA LEU 412 HA LEU 412 0.920 16.419 -4.863 729 1HB LEU 412 2HB LEU 412 1.762 13.649 -5.708 730 2HB LEU 412 1HB LEU 412 0.945 14.770 -6.783 731 HG LEU 412 HG LEU 412 3.025 15.344 -7.405 732 1HD1 LEU 412 1HD1 LEU 412 2.202 17.275 -6.000 733 2HD1 LEU 412 2HD1 LEU 412 3.942 17.204 -6.273 734 3HD1 LEU 412 3HD1 LEU 412 3.269 16.687 -4.728 735 1HD2 LEU 412 1HD2 LEU 412 4.153 13.526 -6.414 736 2HD2 LEU 412 2HD2 LEU 412 3.928 14.175 -4.788 737 3HD2 LEU 412 3HD2 LEU 412 5.033 14.968 -5.912 738 H GLY 413 H GLY 413 0.013 13.456 -3.320 739 1HA GLY 413 2HA GLY 413 -2.718 14.066 -3.284 740 2HA GLY 413 1HA GLY 413 -2.432 12.990 -4.642 741 H THR 414 H THR 414 -4.034 11.811 -3.186 742 HA THR 414 HA THR 414 -2.615 9.678 -1.882 743 HB THR 414 HB THR 414 -2.717 11.142 0.023 744 HG1 THR 414 HG1 THR 414 -4.467 9.926 1.281 745 1HG2 THR 414 1HG2 THR 414 -5.388 11.762 -1.032 746 2HG2 THR 414 2HG2 THR 414 -4.262 12.772 -0.125 747 3HG2 THR 414 3HG2 THR 414 -5.292 11.617 0.722 748 H GLY 415 H GLY 415 -4.340 8.007 -1.017 749 1HA GLY 415 2HA GLY 415 -6.983 8.261 -2.069 750 2HA GLY 415 1HA GLY 415 -5.978 7.340 -3.167 751 H VAL 416 H VAL 416 -8.165 6.180 -2.252 752 HA VAL 416 HA VAL 416 -7.132 4.087 -0.481 753 HB VAL 416 HB VAL 416 -8.684 5.726 0.730 754 1HG1 VAL 416 1HG1 VAL 416 -10.307 5.994 -1.077 755 2HG1 VAL 416 2HG1 VAL 416 -11.078 5.400 0.394 756 3HG1 VAL 416 3HG1 VAL 416 -10.747 4.292 -0.939 757 1HG2 VAL 416 1HG2 VAL 416 -8.318 2.975 0.952 758 2HG2 VAL 416 2HG2 VAL 416 -10.062 3.206 1.084 759 3HG2 VAL 416 3HG2 VAL 416 -8.973 4.056 2.180 760 H GLY 417 H GLY 417 -8.092 2.007 -0.837 761 1HA GLY 417 2HA GLY 417 -9.985 1.755 -3.034 762 2HA GLY 417 1HA GLY 417 -8.381 1.104 -3.331 763 H ARG 418 H ARG 418 -11.443 0.426 -2.189 764 HA ARG 418 HA ARG 418 -11.270 -1.293 -0.103 765 1HB ARG 418 2HB ARG 418 -13.010 -2.708 -1.485 766 2HB ARG 418 1HB ARG 418 -13.421 -1.104 -0.895 767 1HG ARG 418 2HG ARG 418 -13.892 -0.482 -2.962 768 2HG ARG 418 1HG ARG 418 -12.216 -0.773 -3.425 769 1HD ARG 418 2HD ARG 418 -13.535 -2.075 -4.888 770 2HD ARG 418 1HD ARG 418 -12.850 -3.201 -3.716 771 HE ARG 418 HE ARG 418 -15.394 -2.297 -2.864 772 1HH1 ARG 418 1HH1 ARG 418 -13.857 -4.425 -5.155 773 2HH1 ARG 418 2HH1 ARG 418 -15.207 -5.507 -5.249 774 1HH2 ARG 418 1HH2 ARG 418 -17.175 -3.711 -2.984 775 2HH2 ARG 418 2HH2 ARG 418 -17.095 -5.099 -4.017 776 H ASN 419 H ASN 419 -10.818 -2.290 -3.500 777 HA ASN 419 HA ASN 419 -9.696 -4.824 -2.662 778 1HB ASN 419 2HB ASN 419 -10.113 -5.543 -4.763 779 2HB ASN 419 1HB ASN 419 -11.102 -4.094 -4.875 780 1HD2 ASN 419 1HD2 ASN 419 -10.814 -3.049 -6.694 781 2HD2 ASN 419 2HD2 ASN 419 -9.333 -2.909 -7.573 782 H ILE 420 H ILE 420 -8.589 -1.712 -3.123 783 HA ILE 420 HA ILE 420 -6.493 -0.945 -2.582 784 HB ILE 420 HB ILE 420 -4.574 -2.144 -2.494 785 1HG1 ILE 420 2HG1 ILE 420 -4.490 -4.508 -3.695 786 2HG1 ILE 420 1HG1 ILE 420 -5.693 -3.761 -4.735 787 1HG2 ILE 420 1HG2 ILE 420 -5.836 -4.671 -2.054 788 2HG2 ILE 420 2HG2 ILE 420 -6.872 -3.373 -1.459 789 3HG2 ILE 420 3HG2 ILE 420 -5.214 -3.512 -0.882 790 1HD1 ILE 420 1HD1 ILE 420 -3.778 -3.245 -5.856 791 2HD1 ILE 420 2HD1 ILE 420 -2.824 -3.093 -4.381 792 3HD1 ILE 420 3HD1 ILE 420 -3.944 -1.810 -4.843 793 H LYS 421 H LYS 421 -6.920 -2.765 -5.628 794 HA LYS 421 HA LYS 421 -5.109 -1.398 -7.180 795 1HB LYS 421 2HB LYS 421 -7.291 -3.086 -7.698 796 2HB LYS 421 1HB LYS 421 -7.594 -1.619 -8.628 797 1HG LYS 421 2HG LYS 421 -6.359 -3.220 -9.954 798 2HG LYS 421 1HG LYS 421 -5.372 -1.790 -9.618 799 1HD LYS 421 2HD LYS 421 -3.831 -3.010 -8.580 800 2HD LYS 421 1HD LYS 421 -5.048 -3.769 -7.552 801 1HE LYS 421 2HE LYS 421 -5.587 -5.257 -9.525 802 2HE LYS 421 1HE LYS 421 -4.126 -4.621 -10.281 803 1HZ LYS 421 1HZ LYS 421 -4.318 -6.719 -8.481 804 2HZ LYS 421 2HZ LYS 421 -3.555 -5.460 -7.649 805 3HZ LYS 421 3HZ LYS 421 -2.906 -6.025 -9.104 806 H ILE 422 H ILE 422 -8.519 -0.555 -6.725 807 HA ILE 422 HA ILE 422 -8.629 1.885 -7.936 808 HB ILE 422 HB ILE 422 -9.784 2.112 -5.269 809 1HG1 ILE 422 2HG1 ILE 422 -11.561 0.328 -5.801 810 2HG1 ILE 422 1HG1 ILE 422 -10.362 -0.356 -6.894 811 1HG2 ILE 422 1HG2 ILE 422 -10.422 3.466 -7.200 812 2HG2 ILE 422 2HG2 ILE 422 -11.802 2.591 -6.528 813 3HG2 ILE 422 3HG2 ILE 422 -11.031 2.019 -8.009 814 1HD1 ILE 422 1HD1 ILE 422 -8.885 -0.091 -4.650 815 2HD1 ILE 422 2HD1 ILE 422 -9.779 -1.548 -5.089 816 3HD1 ILE 422 3HD1 ILE 422 -10.484 -0.387 -3.966 817 H ALA 423 H ALA 423 -7.013 0.961 -4.991 818 HA ALA 423 HA ALA 423 -6.423 3.605 -4.102 819 1HB ALA 423 1HB ALA 423 -6.258 1.108 -2.987 820 2HB ALA 423 2HB ALA 423 -5.605 2.594 -2.290 821 3HB ALA 423 3HB ALA 423 -4.563 1.532 -3.236 822 H GLY 424 H GLY 424 -4.593 1.133 -5.937 823 1HA GLY 424 2HA GLY 424 -2.202 2.618 -6.136 824 2HA GLY 424 1HA GLY 424 -2.719 1.363 -7.255 825 H ILE 425 H ILE 425 -4.743 2.204 -8.608 826 HA ILE 425 HA ILE 425 -3.760 4.128 -10.382 827 HB ILE 425 HB ILE 425 -6.707 3.724 -10.127 828 1HG1 ILE 425 2HG1 ILE 425 -6.130 1.485 -9.831 829 2HG1 ILE 425 1HG1 ILE 425 -6.265 1.607 -11.582 830 1HG2 ILE 425 1HG2 ILE 425 -6.733 4.455 -12.232 831 2HG2 ILE 425 2HG2 ILE 425 -5.422 3.377 -12.712 832 3HG2 ILE 425 3HG2 ILE 425 -5.057 4.933 -11.965 833 1HD1 ILE 425 1HD1 ILE 425 -4.296 0.523 -11.495 834 2HD1 ILE 425 2HD1 ILE 425 -3.904 1.135 -9.888 835 3HD1 ILE 425 3HD1 ILE 425 -3.664 2.159 -11.302 836 H ARG 426 H ARG 426 -6.304 4.438 -7.909 837 HA ARG 426 HA ARG 426 -7.041 7.048 -8.247 838 1HB ARG 426 2HB ARG 426 -8.189 5.788 -6.605 839 2HB ARG 426 1HB ARG 426 -6.700 5.406 -5.749 840 1HG ARG 426 2HG ARG 426 -7.330 7.004 -4.345 841 2HG ARG 426 1HG ARG 426 -6.732 8.118 -5.572 842 1HD ARG 426 2HD ARG 426 -9.529 7.349 -4.890 843 2HD ARG 426 1HD ARG 426 -8.836 8.948 -5.165 844 HE ARG 426 HE ARG 426 -8.652 7.882 -7.598 845 1HH1 ARG 426 1HH1 ARG 426 -11.279 7.894 -5.311 846 2HH1 ARG 426 2HH1 ARG 426 -12.511 7.866 -6.529 847 1HH2 ARG 426 1HH2 ARG 426 -10.267 7.846 -9.210 848 2HH2 ARG 426 2HH2 ARG 426 -11.935 7.839 -8.747 849 H ALA 427 H ALA 427 -4.329 5.875 -6.263 850 HA ALA 427 HA ALA 427 -3.366 8.284 -5.341 851 1HB ALA 427 1HB ALA 427 -1.215 6.485 -6.130 852 2HB ALA 427 2HB ALA 427 -2.502 5.678 -5.235 853 3HB ALA 427 3HB ALA 427 -1.677 7.070 -4.531 854 H ALA 428 H ALA 428 -2.355 6.602 -8.338 855 HA ALA 428 HA ALA 428 -0.574 8.507 -9.272 856 1HB ALA 428 1HB ALA 428 -0.933 6.289 -10.310 857 2HB ALA 428 2HB ALA 428 -0.907 7.607 -11.482 858 3HB ALA 428 3HB ALA 428 -2.442 6.887 -10.999 859 H GLU 429 H GLU 429 -3.941 8.200 -10.421 860 HA GLU 429 HA GLU 429 -4.093 10.610 -11.751 861 1HB GLU 429 2HB GLU 429 -6.215 9.009 -10.327 862 2HB GLU 429 1HB GLU 429 -6.589 10.445 -11.269 863 1HG GLU 429 2HG GLU 429 -5.892 9.436 -13.277 864 2HG GLU 429 1HG GLU 429 -5.105 8.108 -12.424 865 H ASN 430 H ASN 430 -3.954 10.002 -8.394 866 HA ASN 430 HA ASN 430 -5.214 12.428 -7.532 867 1HB ASN 430 2HB ASN 430 -4.062 10.058 -6.299 868 2HB ASN 430 1HB ASN 430 -3.630 11.531 -5.434 869 1HD2 ASN 430 1HD2 ASN 430 -6.359 9.758 -6.780 870 2HD2 ASN 430 2HD2 ASN 430 -7.516 10.296 -5.617 871 H ALA 431 H ALA 431 -1.918 11.415 -8.265 872 HA ALA 431 HA ALA 431 -0.715 13.724 -7.074 873 1HB ALA 431 1HB ALA 431 1.345 12.994 -8.212 874 2HB ALA 431 2HB ALA 431 0.424 11.715 -9.009 875 3HB ALA 431 3HB ALA 431 0.596 11.714 -7.252 876 H LEU 432 H LEU 432 -1.589 12.774 -10.383 877 HA LEU 432 HA LEU 432 -0.638 15.340 -11.359 878 1HB LEU 432 2HB LEU 432 -1.358 14.555 -13.586 879 2HB LEU 432 1HB LEU 432 -0.178 13.518 -12.817 880 HG LEU 432 HG LEU 432 -2.191 12.494 -14.115 881 1HD1 LEU 432 1HD1 LEU 432 -0.893 11.618 -11.604 882 2HD1 LEU 432 2HD1 LEU 432 -0.865 10.900 -13.211 883 3HD1 LEU 432 3HD1 LEU 432 -2.276 10.687 -12.176 884 1HD2 LEU 432 1HD2 LEU 432 -3.476 12.836 -11.417 885 2HD2 LEU 432 2HD2 LEU 432 -4.163 12.084 -12.857 886 3HD2 LEU 432 3HD2 LEU 432 -3.872 13.820 -12.826 887 H ARG 433 H ARG 433 -3.064 14.794 -9.553 888 HA ARG 433 HA ARG 433 -5.218 15.930 -11.144 889 1HB ARG 433 2HB ARG 433 -5.243 14.197 -9.064 890 2HB ARG 433 1HB ARG 433 -5.537 15.708 -8.218 891 1HG ARG 433 2HG ARG 433 -7.527 16.099 -9.344 892 2HG ARG 433 1HG ARG 433 -7.130 14.967 -10.636 893 1HD ARG 433 2HD ARG 433 -7.229 13.140 -8.895 894 2HD ARG 433 1HD ARG 433 -7.912 14.340 -7.799 895 HE ARG 433 HE ARG 433 -9.894 14.253 -8.969 896 1HH1 ARG 433 1HH1 ARG 433 -7.413 12.540 -10.712 897 2HH1 ARG 433 2HH1 ARG 433 -8.520 11.808 -11.824 898 1HH2 ARG 433 1HH2 ARG 433 -11.358 13.295 -10.429 899 2HH2 ARG 433 2HH2 ARG 433 -10.762 12.237 -11.663 900 H ASP 434 H ASP 434 -2.565 17.198 -9.870 901 HA ASP 434 HA ASP 434 -3.915 19.662 -8.982 902 1HB ASP 434 2HB ASP 434 -1.100 18.836 -8.289 903 2HB ASP 434 1HB ASP 434 -2.054 20.124 -7.559 904 H LYS 435 H LYS 435 -4.033 20.063 -11.360 905 HA LYS 435 HA LYS 435 -2.022 20.372 -13.144 906 1HB LYS 435 2HB LYS 435 -3.368 21.873 -14.317 907 2HB LYS 435 1HB LYS 435 -4.531 20.985 -13.340 908 1HG LYS 435 2HG LYS 435 -4.658 22.790 -11.759 909 2HG LYS 435 1HG LYS 435 -3.374 23.662 -12.598 910 1HD LYS 435 2HD LYS 435 -5.427 24.654 -13.257 911 2HD LYS 435 1HD LYS 435 -4.864 23.690 -14.625 912 1HE LYS 435 2HE LYS 435 -6.423 21.963 -14.160 913 2HE LYS 435 1HE LYS 435 -6.823 22.655 -12.589 914 1HZ LYS 435 1HZ LYS 435 -8.552 23.498 -13.720 915 2HZ LYS 435 2HZ LYS 435 -7.793 23.368 -15.226 916 3HZ LYS 435 3HZ LYS 435 -7.443 24.677 -14.213 917 H LYS 436 H LYS 436 -2.916 22.727 -10.646 918 HA LYS 436 HA LYS 436 -1.048 24.696 -11.278 919 1HB LYS 436 2HB LYS 436 -2.133 23.978 -8.549 920 2HB LYS 436 1HB LYS 436 -1.375 25.504 -8.988 921 1HG LYS 436 2HG LYS 436 -3.727 24.622 -10.572 922 2HG LYS 436 1HG LYS 436 -4.000 25.208 -8.928 923 1HD LYS 436 2HD LYS 436 -2.174 26.908 -10.419 924 2HD LYS 436 1HD LYS 436 -3.746 26.758 -11.207 925 1HE LYS 436 2HE LYS 436 -3.231 27.613 -8.362 926 2HE LYS 436 1HE LYS 436 -3.760 28.644 -9.691 927 1HZ LYS 436 1HZ LYS 436 -5.349 27.212 -7.928 928 2HZ LYS 436 2HZ LYS 436 -5.508 26.442 -9.425 929 3HZ LYS 436 3HZ LYS 436 -5.852 28.093 -9.283 930 H MET 437 H MET 437 -0.770 21.967 -9.007 931 HA MET 437 HA MET 437 1.870 22.571 -8.185 932 1HB MET 437 2HB MET 437 0.607 21.128 -6.783 933 2HB MET 437 1HB MET 437 0.245 20.040 -8.114 934 1HG MET 437 2HG MET 437 3.074 20.461 -7.285 935 2HG MET 437 1HG MET 437 2.032 19.400 -6.340 936 1HE MET 437 1HE MET 437 1.524 16.355 -8.083 937 2HE MET 437 2HE MET 437 0.380 17.467 -8.838 938 3HE MET 437 3HE MET 437 0.754 17.624 -7.124 939 H LEU 438 H LEU 438 0.618 20.146 -10.460 940 HA LEU 438 HA LEU 438 3.011 19.143 -11.405 941 1HB LEU 438 2HB LEU 438 0.466 19.652 -12.951 942 2HB LEU 438 1HB LEU 438 1.779 18.627 -13.494 943 HG LEU 438 HG LEU 438 0.069 18.138 -11.053 944 1HD1 LEU 438 1HD1 LEU 438 0.028 16.172 -13.191 945 2HD1 LEU 438 2HD1 LEU 438 -0.565 17.753 -13.705 946 3HD1 LEU 438 3HD1 LEU 438 -1.305 16.940 -12.326 947 1HD2 LEU 438 1HD2 LEU 438 1.655 16.737 -10.382 948 2HD2 LEU 438 2HD2 LEU 438 2.648 17.152 -11.778 949 3HD2 LEU 438 3HD2 LEU 438 1.480 15.836 -11.888 950 H ASP 439 H ASP 439 1.049 21.534 -13.164 951 HA ASP 439 HA ASP 439 2.839 22.341 -15.041 952 1HB ASP 439 2HB ASP 439 0.477 23.141 -14.813 953 2HB ASP 439 1HB ASP 439 1.018 24.235 -13.542 954 H PHE 440 H PHE 440 2.750 23.311 -11.659 955 HA PHE 440 HA PHE 440 4.616 25.410 -11.815 956 1HB PHE 440 2HB PHE 440 3.828 25.541 -9.713 957 2HB PHE 440 1HB PHE 440 3.305 23.864 -9.727 958 HD1 PHE 440 HD1 PHE 440 4.007 22.848 -7.802 959 HD2 PHE 440 HD2 PHE 440 6.686 25.451 -9.840 960 HE1 PHE 440 HE1 PHE 440 5.771 22.296 -6.179 961 HE2 PHE 440 HE2 PHE 440 8.459 24.898 -8.225 962 HZ PHE 440 HZ PHE 440 8.002 23.317 -6.391 963 H TYR 441 H TYR 441 4.988 21.937 -11.350 964 HA TYR 441 HA TYR 441 7.833 22.075 -11.082 965 1HB TYR 441 2HB TYR 441 5.923 19.776 -11.516 966 2HB TYR 441 1HB TYR 441 7.666 19.562 -11.361 967 HD1 TYR 441 HD1 TYR 441 4.758 19.270 -9.590 968 HD2 TYR 441 HD2 TYR 441 8.592 21.072 -9.249 969 HE1 TYR 441 HE1 TYR 441 4.537 19.268 -7.141 970 HE2 TYR 441 HE2 TYR 441 8.392 21.076 -6.812 971 HH TYR 441 HH TYR 441 5.593 19.618 -5.194 972 H ALA 442 H ALA 442 5.562 21.573 -13.724 973 HA ALA 442 HA ALA 442 7.251 20.563 -15.672 974 1HB ALA 442 1HB ALA 442 5.321 22.728 -16.395 975 2HB ALA 442 2HB ALA 442 4.711 21.197 -15.769 976 3HB ALA 442 3HB ALA 442 5.686 21.223 -17.239 977 H LYS 443 H LYS 443 6.701 23.909 -14.664 978 HA LYS 443 HA LYS 443 8.554 25.079 -16.469 979 1HB LYS 443 2HB LYS 443 7.035 26.622 -15.618 980 2HB LYS 443 1HB LYS 443 7.139 25.978 -13.986 981 1HG LYS 443 2HG LYS 443 9.200 27.053 -13.585 982 2HG LYS 443 1HG LYS 443 9.414 27.438 -15.294 983 1HD LYS 443 2HD LYS 443 6.923 28.506 -14.340 984 2HD LYS 443 1HD LYS 443 8.250 29.043 -13.307 985 1HE LYS 443 2HE LYS 443 9.474 29.681 -15.419 986 2HE LYS 443 1HE LYS 443 7.966 29.388 -16.285 987 1HZ LYS 443 1HZ LYS 443 6.918 31.040 -14.770 988 2HZ LYS 443 2HZ LYS 443 8.092 31.694 -15.796 989 3HZ LYS 443 3HZ LYS 443 8.456 31.409 -14.169 990 H GLN 444 H GLN 444 8.734 24.065 -13.078 991 HA GLN 444 HA GLN 444 11.355 24.870 -12.549 992 1HB GLN 444 2HB GLN 444 11.062 23.816 -10.553 993 2HB GLN 444 1HB GLN 444 9.391 23.739 -11.083 994 1HG GLN 444 2HG GLN 444 9.505 21.553 -10.741 995 2HG GLN 444 1HG GLN 444 10.543 21.450 -12.153 996 1HE2 GLN 444 1HE2 GLN 444 12.652 22.970 -10.875 997 2HE2 GLN 444 2HE2 GLN 444 13.398 21.910 -9.740 998 H ARG 445 H ARG 445 10.102 22.229 -14.382 999 HA ARG 445 HA ARG 445 12.618 20.784 -14.440 1000 1HB ARG 445 2HB ARG 445 9.863 20.169 -14.931 1001 2HB ARG 445 1HB ARG 445 10.809 19.739 -16.349 1002 1HG ARG 445 2HG ARG 445 11.732 18.892 -13.641 1003 2HG ARG 445 1HG ARG 445 10.439 18.006 -14.454 1004 1HD ARG 445 2HD ARG 445 12.796 18.599 -16.106 1005 2HD ARG 445 1HD ARG 445 13.080 17.492 -14.766 1006 HE ARG 445 HE ARG 445 10.932 16.388 -15.838 1007 1HH1 ARG 445 1HH1 ARG 445 13.763 17.687 -17.395 1008 2HH1 ARG 445 2HH1 ARG 445 13.673 16.609 -18.747 1009 1HH2 ARG 445 1HH2 ARG 445 10.805 14.962 -17.612 1010 2HH2 ARG 445 2HH2 ARG 445 11.990 15.060 -18.871 1011 H ALA 446 H ALA 446 10.896 23.096 -16.354 1012 HA ALA 446 HA ALA 446 12.367 22.543 -18.773 1013 1HB ALA 446 1HB ALA 446 10.007 23.533 -18.621 1014 2HB ALA 446 2HB ALA 446 11.126 24.241 -19.787 1015 3HB ALA 446 3HB ALA 446 10.816 25.058 -18.255 1016 H ALA 447 H ALA 447 12.441 24.946 -16.180 1017 HA ALA 447 HA ALA 447 14.476 26.554 -17.311 1018 1HB ALA 447 1HB ALA 447 13.330 27.720 -15.713 1019 2HB ALA 447 2HB ALA 447 14.725 27.202 -14.766 1020 3HB ALA 447 3HB ALA 447 13.195 26.330 -14.633 1021 H ILE 448 H ILE 448 14.529 24.082 -14.769 1022 HA ILE 448 HA ILE 448 16.983 23.988 -13.821 1023 HB ILE 448 HB ILE 448 16.956 21.454 -14.091 1024 1HG1 ILE 448 2HG1 ILE 448 14.127 21.783 -14.969 1025 2HG1 ILE 448 1HG1 ILE 448 15.394 21.801 -16.191 1026 1HG2 ILE 448 1HG2 ILE 448 16.120 21.873 -12.059 1027 2HG2 ILE 448 2HG2 ILE 448 14.552 21.553 -12.797 1028 3HG2 ILE 448 3HG2 ILE 448 15.133 23.212 -12.644 1029 1HD1 ILE 448 1HD1 ILE 448 14.601 19.585 -16.058 1030 2HD1 ILE 448 2HD1 ILE 448 14.684 19.584 -14.296 1031 3HD1 ILE 448 3HD1 ILE 448 16.168 19.603 -15.249 1032 HA PRO 449 HA PRO 449 19.392 24.484 -17.694 1033 1HB PRO 449 2HB PRO 449 21.424 24.595 -15.504 1034 2HB PRO 449 1HB PRO 449 21.257 25.620 -16.935 1035 1HG PRO 449 2HG PRO 449 20.502 26.499 -14.538 1036 2HG PRO 449 1HG PRO 449 19.567 26.893 -15.992 1037 1HD PRO 449 2HD PRO 449 18.954 24.964 -13.810 1038 2HD PRO 449 1HD PRO 449 17.853 25.930 -14.809 1039 H ARG 450 H ARG 450 20.071 22.476 -14.861 1040 HA ARG 450 HA ARG 450 21.077 20.449 -14.612 1041 1HB ARG 450 2HB ARG 450 18.982 20.153 -16.284 1042 2HB ARG 450 1HB ARG 450 20.274 19.573 -17.326 1043 1HG ARG 450 2HG ARG 450 20.901 18.167 -15.182 1044 2HG ARG 450 1HG ARG 450 19.192 18.415 -14.816 1045 1HD ARG 450 2HD ARG 450 18.589 16.880 -16.305 1046 2HD ARG 450 1HD ARG 450 19.529 17.669 -17.571 1047 HE ARG 450 HE ARG 450 21.036 15.983 -17.351 1048 1HH1 ARG 450 1HH1 ARG 450 19.411 16.397 -14.302 1049 2HH1 ARG 450 2HH1 ARG 450 20.256 15.099 -13.525 1050 1HH2 ARG 450 1HH2 ARG 450 22.161 14.272 -16.340 1051 2HH2 ARG 450 2HH2 ARG 450 21.819 13.888 -14.687 1052 H SER 451 H SER 451 22.127 18.685 -16.583 1053 HA SER 451 HA SER 451 24.153 18.212 -17.512 1054 1HB SER 451 2HB SER 451 22.899 19.933 -19.160 1055 2HB SER 451 1HB SER 451 24.344 20.879 -18.801 1056 HG SER 451 HG SER 451 25.258 18.517 -19.272 1057 H GLU 452 H GLU 452 25.393 18.189 -15.636 1058 HA GLU 452 HA GLU 452 26.775 20.662 -14.895 1059 1HB GLU 452 2HB GLU 452 25.616 19.021 -13.232 1060 2HB GLU 452 1HB GLU 452 27.070 18.054 -13.442 1061 1HG GLU 452 2HG GLU 452 28.221 19.343 -12.062 1062 2HG GLU 452 1HG GLU 452 27.735 20.806 -12.919 1063 H SER 453 HN SER 453 27.500 17.262 -15.655 1064 HA SER 453 HA SER 453 30.298 17.980 -16.124 1065 1HB SER 453 2HB SER 453 29.648 15.972 -14.705 1066 2HB SER 453 1HB SER 453 29.096 15.209 -16.196 1067 HG SER 453 HG SER 453 31.323 15.731 -16.968 Start of MODEL 8 1 1H5* G 1 2H5* G 1 -18.053 -26.316 -7.085 2 2H5* G 1 1H5* G 1 -17.323 -25.512 -8.489 3 H4* G 1 H4* G 1 -19.052 -24.050 -7.701 4 H3* G 1 H3* G 1 -16.221 -23.239 -7.060 5 H2* G 1 H2* G 1 -16.882 -21.721 -5.456 6 2HO* G 1 HO2* G 1 -19.201 -20.738 -6.163 7 H1* G 1 H1* G 1 -19.732 -22.471 -5.423 8 H8 G 1 H8 G 1 -17.380 -24.538 -3.362 9 H1 G 1 H1 G 1 -19.167 -19.195 -0.376 10 1H2 G 1 1H2 G 1 -20.235 -17.862 -1.796 11 2H2 G 1 2H2 G 1 -20.504 -18.292 -3.468 12 H5T G 1 H5T G 1 -15.514 -25.578 -7.478 13 1H5* G 2 2H5* G 2 -19.355 -20.200 -8.206 14 2H5* G 2 1H5* G 2 -18.756 -19.549 -9.744 15 H4* G 2 H4* G 2 -19.706 -17.626 -8.934 16 H3* G 2 H3* G 2 -16.936 -17.779 -7.699 17 H2* G 2 H2* G 2 -17.398 -15.788 -6.476 18 2HO* G 2 HO2* G 2 -19.923 -15.228 -7.299 19 H1* G 2 H1* G 2 -19.911 -16.444 -5.678 20 H8 G 2 H8 G 2 -17.795 -19.565 -5.689 21 H1 G 2 H1 G 2 -16.769 -15.873 -0.597 22 1H2 G 2 1H2 G 2 -17.763 -13.913 -0.869 23 2H2 G 2 2H2 G 2 -18.676 -13.516 -2.306 24 1H5* G 3 2H5* G 3 -17.738 -13.840 -7.804 25 2H5* G 3 1H5* G 3 -16.583 -13.086 -8.917 26 H4* G 3 H4* G 3 -16.492 -11.805 -6.903 27 H3* G 3 H3* G 3 -14.182 -13.739 -7.260 28 H2* G 3 H2* G 3 -13.295 -13.103 -5.194 29 2HO* G 3 HO2* G 3 -14.517 -10.691 -5.850 30 H1* G 3 H1* G 3 -15.704 -12.487 -3.877 31 H8 G 3 H8 G 3 -15.454 -15.907 -5.504 32 H1 G 3 H1 G 3 -12.961 -15.684 0.362 33 1H2 G 3 1H2 G 3 -12.868 -13.589 1.067 34 2H2 G 3 2H2 G 3 -13.416 -12.244 0.093 35 1H5* A 4 2H5* A 4 -13.091 -9.197 -6.006 36 2H5* A 4 1H5* A 4 -11.474 -9.026 -6.717 37 H4* A 4 H4* A 4 -11.752 -8.411 -4.220 38 H3* A 4 H3* A 4 -9.633 -10.252 -5.371 39 H2* A 4 H2* A 4 -8.785 -10.663 -3.229 40 2HO* A 4 HO2* A 4 -10.184 -8.467 -2.102 41 H1* A 4 H1* A 4 -11.181 -10.338 -1.766 42 H8 A 4 H8 A 4 -11.241 -12.859 -4.601 43 1H6 A 4 1H6 A 4 -9.154 -17.006 -0.553 44 2H6 A 4 2H6 A 4 -9.776 -16.771 -2.173 45 H2 A 4 H2 A 4 -9.048 -12.969 1.408 46 1H5* U 5 2H5* U 5 -8.215 -6.823 -2.349 47 2H5* U 5 1H5* U 5 -6.694 -6.309 -3.104 48 H4* U 5 H4* U 5 -6.414 -6.610 -0.672 49 H3* U 5 H3* U 5 -4.979 -8.497 -2.563 50 H2* U 5 H2* U 5 -3.961 -9.547 -0.678 51 2HO* U 5 HO2* U 5 -4.668 -7.140 0.572 52 H1* U 5 H1* U 5 -6.180 -9.686 0.884 53 H3 U 5 H3 U 5 -5.546 -13.945 -0.484 54 H5 U 5 H5 U 5 -6.866 -11.968 -3.967 55 H6 U 5 H6 U 5 -6.799 -9.883 -2.728 56 1H5* A 6 2H5* A 6 -2.052 -7.216 0.656 57 2H5* A 6 1H5* A 6 -0.498 -7.201 -0.202 58 H4* A 6 H4* A 6 -0.762 -8.805 1.825 59 H3* A 6 H3* A 6 0.318 -9.558 -0.914 60 H2* A 6 H2* A 6 0.622 -11.765 -0.183 61 2HO* A 6 HO2* A 6 1.333 -12.194 1.780 62 H1* A 6 H1* A 6 -1.493 -11.846 1.696 63 H8 A 6 H8 A 6 -2.652 -10.863 -1.736 64 1H6 A 6 1H6 A 6 -2.739 -16.832 -3.207 65 2H6 A 6 2H6 A 6 -3.190 -15.221 -3.715 66 H2 A 6 H2 A 6 -0.707 -16.414 0.784 67 1H5* C 7 2H5* C 7 3.316 -10.533 2.887 68 2H5* C 7 1H5* C 7 4.865 -10.315 2.049 69 H4* C 7 H4* C 7 4.705 -12.424 3.434 70 H3* C 7 H3* C 7 5.302 -12.433 0.460 71 H2* C 7 H2* C 7 5.452 -14.812 0.503 72 2HO* C 7 HO2* C 7 5.080 -14.865 3.312 73 H1* C 7 H1* C 7 3.255 -15.296 1.936 74 1H4 C 7 1H4 C 7 1.297 -15.101 -4.113 75 2H4 C 7 2H4 C 7 1.195 -13.357 -4.046 76 H5 C 7 H5 C 7 1.908 -12.065 -2.139 77 H6 C 7 H6 C 7 2.871 -12.169 0.114 78 1H5* C 8 2H5* C 8 8.924 -14.822 2.022 79 2H5* C 8 1H5* C 8 10.191 -14.201 0.946 80 H4* C 8 H4* C 8 9.856 -16.699 0.820 81 H3* C 8 H3* C 8 9.469 -14.933 -1.630 82 H2* C 8 H2* C 8 9.140 -16.918 -2.909 83 2HO* C 8 HO2* C 8 10.666 -18.325 -2.243 84 H1* C 8 H1* C 8 7.563 -18.217 -1.090 85 1H4 C 8 1H4 C 8 3.610 -15.342 -5.170 86 2H4 C 8 2H4 C 8 3.700 -13.870 -4.230 87 H5 C 8 H5 C 8 5.178 -13.597 -2.343 88 H6 C 8 H6 C 8 6.885 -14.678 -0.957 89 1H5* A 9 2H5* A 9 12.992 -17.086 -3.413 90 2H5* A 9 1H5* A 9 13.636 -15.781 -4.428 91 H4* A 9 H4* A 9 12.583 -17.824 -5.621 92 H3* A 9 H3* A 9 11.906 -14.913 -6.186 93 H2* A 9 H2* A 9 10.384 -15.598 -7.831 94 2HO* A 9 HO2* A 9 10.748 -18.178 -8.218 95 H1* A 9 H1* A 9 9.624 -18.050 -6.664 96 H8 A 9 H8 A 9 9.125 -15.260 -4.240 97 1H6 A 9 1H6 A 9 3.849 -13.943 -7.131 98 2H6 A 9 2H6 A 9 4.823 -13.632 -5.711 99 H2 A 9 H2 A 9 6.126 -16.878 -9.659 100 1H5* U 10 2H5* U 10 13.019 -17.361 -10.067 101 2H5* U 10 1H5* U 10 13.775 -16.124 -11.091 102 H4* U 10 H4* U 10 11.863 -17.464 -12.146 103 H3* U 10 H3* U 10 12.066 -14.450 -12.054 104 H2* U 10 H2* U 10 9.954 -14.208 -13.089 105 2HO* U 10 HO2* U 10 9.019 -16.569 -13.634 106 H1* U 10 H1* U 10 8.597 -16.106 -11.723 107 H3 U 10 H3 U 10 7.158 -12.152 -10.026 108 H5 U 10 H5 U 10 10.934 -12.726 -8.259 109 H6 U 10 H6 U 10 11.250 -14.649 -9.703 110 1H5* G 11 2H5* G 11 10.588 -16.012 -16.004 111 2H5* G 11 1H5* G 11 11.086 -14.873 -17.271 112 H4* G 11 H4* G 11 8.548 -15.365 -16.987 113 H3* G 11 H3* G 11 9.811 -12.606 -17.182 114 H2* G 11 H2* G 11 7.680 -11.637 -16.992 115 2HO* G 11 HO2* G 11 6.091 -13.856 -17.270 116 H1* G 11 H1* G 11 6.495 -13.650 -15.395 117 H8 G 11 H8 G 11 9.632 -12.247 -13.879 118 H1 G 11 H1 G 11 4.583 -8.458 -13.005 119 1H2 G 11 1H2 G 11 2.890 -9.148 -14.261 120 2H2 G 11 2H2 G 11 3.005 -10.547 -15.308 121 1H5* U 12 2H5* U 12 6.165 -13.957 -19.784 122 2H5* U 12 1H5* U 12 6.136 -12.961 -21.254 123 H4* U 12 H4* U 12 3.950 -13.155 -19.871 124 H3* U 12 H3* U 12 5.214 -10.628 -20.949 125 H2* U 12 H2* U 12 3.559 -9.293 -19.920 126 2HO* U 12 HO2* U 12 1.742 -10.607 -18.826 127 H1* U 12 H1* U 12 3.337 -10.628 -17.555 128 H3 U 12 H3 U 12 5.307 -6.665 -16.570 129 H5 U 12 H5 U 12 8.409 -9.017 -18.186 130 H6 U 12 H6 U 12 6.753 -10.688 -18.771 131 1H5* U 13 2H5* U 13 0.648 -10.593 -20.790 132 2H5* U 13 1H5* U 13 0.176 -9.817 -22.316 133 H4* U 13 H4* U 13 -0.737 -8.773 -20.142 134 H3* U 13 H3* U 13 0.689 -7.304 -22.370 135 H2* U 13 H2* U 13 0.736 -5.339 -21.148 136 2HO* U 13 HO2* U 13 -1.061 -5.493 -19.243 137 H1* U 13 H1* U 13 0.428 -6.439 -18.528 138 H3 U 13 H3 U 13 3.683 -3.335 -18.064 139 H5 U 13 H5 U 13 5.346 -6.149 -20.725 140 H6 U 13 H6 U 13 3.223 -7.315 -20.720 141 1H5* C 14 2H5* C 14 -3.039 -5.578 -20.790 142 2H5* C 14 1H5* C 14 -3.972 -4.643 -21.976 143 H4* C 14 H4* C 14 -3.428 -3.429 -19.803 144 H3* C 14 H3* C 14 -2.712 -2.387 -22.558 145 H2* C 14 H2* C 14 -1.664 -0.512 -21.622 146 2HO* C 14 HO2* C 14 -3.692 -0.302 -20.197 147 H1* C 14 H1* C 14 -0.814 -1.675 -19.195 148 1H4 C 14 1H4 C 14 4.393 -0.586 -22.708 149 2H4 C 14 2H4 C 14 4.085 -2.044 -23.624 150 H5 C 14 H5 C 14 2.112 -3.387 -23.343 151 H6 C 14 H6 C 14 0.002 -3.626 -22.125 152 1H5* A 15 2H5* A 15 -3.769 0.687 -24.748 153 2H5* A 15 1H5* A 15 -2.857 -0.640 -24.001 154 H4* A 15 H4* A 15 -2.544 2.079 -22.787 155 H3* A 15 H3* A 15 -1.724 1.368 -25.604 156 H2* A 15 H2* A 15 0.461 2.186 -25.280 157 2HO* A 15 HO2* A 15 -0.415 3.408 -22.849 158 H1* A 15 H1* A 15 0.870 1.366 -22.690 159 H8 A 15 H8 A 15 -0.833 -1.437 -24.499 160 1H6 A 15 1H6 A 15 4.622 -2.915 -26.947 161 2H6 A 15 2H6 A 15 2.964 -3.427 -26.723 162 H2 A 15 H2 A 15 5.039 1.072 -24.914 163 1H5* G 16 2H5* G 16 -0.628 4.443 -25.470 164 2H5* G 16 1H5* G 16 -0.521 5.781 -26.632 165 H4* G 16 H4* G 16 1.513 4.507 -26.812 166 H3* G 16 H3* G 16 -0.403 4.587 -29.042 167 H2* G 16 H2* G 16 -0.207 2.330 -29.573 168 2HO* G 16 HO2* G 16 1.848 1.794 -30.532 169 H1* G 16 H1* G 16 2.322 2.063 -27.945 170 H8 G 16 H8 G 16 2.713 -0.474 -27.986 171 H1 G 16 H1 G 16 -3.495 -1.870 -28.348 172 1H2 G 16 1H2 G 16 -4.693 -0.006 -28.378 173 2H2 G 16 2H2 G 16 -3.961 1.582 -28.305 174 1H5* A 17 2H5* A 17 2.142 7.076 -27.930 175 2H5* A 17 1H5* A 17 2.911 7.325 -29.511 176 H4* A 17 H4* A 17 4.468 8.799 -28.677 177 H3* A 17 H3* A 17 4.732 6.832 -26.566 178 H2* A 17 H2* A 17 4.252 8.049 -24.655 179 2HO* A 17 HO2* A 17 5.771 9.917 -26.029 180 H1* A 17 H1* A 17 2.768 10.179 -25.482 181 H8 A 17 H8 A 17 2.773 6.333 -25.765 182 1H6 A 17 1H6 A 17 -2.963 6.551 -23.545 183 2H6 A 17 2H6 A 17 -1.646 5.500 -24.019 184 H2 A 17 H2 A 17 -1.578 10.771 -24.237 185 1H5* A 18 2H5* A 18 7.766 9.639 -25.154 186 2H5* A 18 1H5* A 18 9.162 8.705 -24.580 187 H4* A 18 H4* A 18 7.993 10.003 -22.773 188 H3* A 18 H3* A 18 8.519 7.061 -22.734 189 H2* A 18 H2* A 18 7.082 6.588 -20.944 190 2HO* A 18 HO2* A 18 8.008 8.854 -20.022 191 H1* A 18 H1* A 18 5.037 8.309 -21.414 192 H8 A 18 H8 A 18 6.920 6.359 -24.197 193 1H6 A 18 1H6 A 18 2.063 2.574 -24.190 194 2H6 A 18 2H6 A 18 3.600 2.934 -24.943 195 H2 A 18 H2 A 18 1.422 5.662 -20.991 196 1H5* G 19 2H5* G 19 9.363 8.447 -18.721 197 2H5* G 19 1H5* G 19 10.388 7.308 -17.822 198 H4* G 19 H4* G 19 7.912 7.400 -17.148 199 H3* G 19 H3* G 19 9.392 4.861 -17.914 200 H2* G 19 H2* G 19 7.437 3.606 -17.512 201 2HO* G 19 HO2* G 19 6.560 5.899 -16.052 202 H1* G 19 H1* G 19 5.587 5.477 -18.433 203 H8 G 19 H8 G 19 8.581 4.883 -20.705 204 H1 G 19 H1 G 19 3.935 0.580 -21.446 205 1H2 G 19 1H2 G 19 2.388 0.863 -19.880 206 2H2 G 19 2H2 G 19 2.506 2.112 -18.659 207 1H5* A 20 2H5* A 20 7.338 5.792 -13.857 208 2H5* A 20 1H5* A 20 7.930 4.765 -12.535 209 H4* A 20 H4* A 20 5.430 5.142 -12.540 210 H3* A 20 H3* A 20 6.746 2.425 -12.592 211 H2* A 20 H2* A 20 4.645 1.329 -12.759 212 2HO* A 20 HO2* A 20 3.348 3.843 -12.377 213 H1* A 20 H1* A 20 3.526 2.890 -14.636 214 H8 A 20 H8 A 20 7.258 2.772 -15.258 215 1H6 A 20 1H6 A 20 6.303 -2.453 -18.371 216 2H6 A 20 2H6 A 20 7.472 -1.215 -17.968 217 H2 A 20 H2 A 20 2.477 -1.362 -16.281 218 1H5* A 21 2H5* A 21 3.348 2.381 -10.465 219 2H5* A 21 1H5* A 21 3.230 1.179 -9.166 220 H4* A 21 H4* A 21 1.712 0.869 -11.248 221 H3* A 21 H3* A 21 3.421 -1.204 -9.870 222 H2* A 21 H2* A 21 3.084 -2.762 -11.542 223 2HO* A 21 HO2* A 21 1.130 -3.119 -12.366 224 H1* A 21 H1* A 21 2.368 -1.016 -13.684 225 H8 A 21 H8 A 21 5.850 -0.434 -12.548 226 1H6 A 21 1H6 A 21 7.586 -5.390 -15.773 227 2H6 A 21 2H6 A 21 8.146 -3.990 -14.889 228 H2 A 21 H2 A 21 3.098 -5.325 -15.616 229 1H5* C 22 2H5* C 22 -1.339 -2.483 -10.152 230 2H5* C 22 1H5* C 22 -1.427 -3.893 -9.079 231 H4* C 22 H4* C 22 -2.253 -4.163 -11.528 232 H3* C 22 H3* C 22 -0.394 -6.023 -10.018 233 H2* C 22 H2* C 22 -0.216 -7.423 -11.939 234 2HO* C 22 HO2* C 22 -2.522 -6.007 -12.732 235 H1* C 22 H1* C 22 0.241 -5.480 -13.741 236 1H4 C 22 1H4 C 22 5.845 -7.156 -11.138 237 2H4 C 22 2H4 C 22 5.666 -5.873 -9.964 238 H5 C 22 H5 C 22 3.680 -4.529 -9.769 239 H6 C 22 H6 C 22 1.438 -4.116 -10.663 240 1H5* G 23 2H5* G 23 -3.059 -8.541 -12.551 241 2H5* G 23 1H5* G 23 -3.412 -9.933 -11.510 242 H4* G 23 H4* G 23 -2.254 -10.366 -13.800 243 H3* G 23 H3* G 23 -1.390 -11.491 -11.110 244 H2* G 23 H2* G 23 0.370 -12.613 -12.164 245 2HO* G 23 HO2* G 23 0.339 -12.904 -14.511 246 H1* G 23 H1* G 23 0.871 -10.759 -14.200 247 H8 G 23 H8 G 23 1.034 -8.932 -11.008 248 H1 G 23 H1 G 23 5.895 -13.019 -11.583 249 1H2 G 23 1H2 G 23 5.530 -14.393 -13.275 250 2H2 G 23 2H2 G 23 4.086 -14.306 -14.260 251 1H5* U 24 2H5* U 24 -1.251 -14.361 -14.873 252 2H5* U 24 1H5* U 24 -2.060 -15.781 -14.183 253 H4* U 24 H4* U 24 0.045 -16.325 -15.446 254 H3* U 24 H3* U 24 -0.308 -17.005 -12.513 255 H2* U 24 H2* U 24 1.873 -17.985 -12.476 256 2HO* U 24 HO2* U 24 2.987 -17.798 -14.747 257 H1* U 24 H1* U 24 3.170 -16.002 -13.734 258 H3 U 24 H3 U 24 4.104 -15.311 -9.361 259 H5 U 24 H5 U 24 0.192 -13.825 -9.832 260 H6 U 24 H6 U 24 0.187 -14.740 -12.080 261 1H5* G 25 2H5* G 25 0.961 -20.654 -13.823 262 2H5* G 25 1H5* G 25 -0.126 -21.951 -13.290 263 H4* G 25 H4* G 25 2.045 -22.415 -12.363 264 H3* G 25 H3* G 25 0.073 -21.257 -10.350 265 H2* G 25 H2* G 25 1.730 -21.633 -8.674 266 2HO* G 25 HO2* G 25 2.315 -23.755 -9.539 267 H1* G 25 H1* G 25 3.870 -20.779 -10.154 268 H8 G 25 H8 G 25 0.867 -18.531 -10.685 269 H1 G 25 H1 G 25 4.171 -17.138 -5.418 270 1H2 G 25 1H2 G 25 5.647 -18.742 -4.999 271 2H2 G 25 2H2 G 25 5.814 -20.153 -6.019 272 1H5* G 26 2H5* G 26 0.534 -25.388 -8.394 273 2H5* G 26 1H5* G 26 -1.031 -25.494 -7.568 274 H4* G 26 H4* G 26 1.109 -25.357 -6.107 275 H3* G 26 H3* G 26 -1.408 -23.698 -5.788 276 H2* G 26 H2* G 26 -0.436 -22.479 -4.052 277 2HO* G 26 HO2* G 26 1.450 -24.592 -3.673 278 H1* G 26 H1* G 26 2.296 -22.807 -4.800 279 H8 G 26 H8 G 26 0.156 -21.108 -7.390 280 H1 G 26 H1 G 26 2.037 -17.141 -2.768 281 1H2 G 26 1H2 G 26 2.955 -18.289 -1.109 282 2H2 G 26 2H2 G 26 3.105 -20.031 -1.140 283 1H5* U 27 2H5* U 27 0.683 -25.360 -1.917 284 2H5* U 27 1H5* U 27 -0.692 -26.200 -1.174 285 H4* U 27 H4* U 27 0.486 -25.036 0.581 286 H3* U 27 H3* U 27 -2.155 -23.823 -0.285 287 H2* U 27 H2* U 27 -1.893 -22.082 1.305 288 2HO* U 27 HO2* U 27 0.440 -23.291 2.377 289 H1* U 27 H1* U 27 0.743 -21.572 0.885 290 H3 U 27 H3 U 27 -1.207 -18.024 -1.076 291 H5 U 27 H5 U 27 -2.264 -21.237 -3.595 292 H6 U 27 H6 U 27 -1.209 -22.741 -2.009 293 1H5* A 28 2H5* A 28 -1.452 -23.070 3.981 294 2H5* A 28 1H5* A 28 -2.940 -23.649 4.752 295 H4* A 28 H4* A 28 -2.301 -21.272 5.338 296 H3* A 28 H3* A 28 -4.937 -22.206 4.291 297 H2* A 28 H2* A 28 -5.611 -20.161 3.498 298 2HO* A 28 HO2* A 28 -4.797 -18.245 4.929 299 H1* A 28 H1* A 28 -3.131 -18.675 3.858 300 H8 A 28 H8 A 28 -3.793 -21.120 1.004 301 1H6 A 28 1H6 A 28 -5.545 -16.216 -2.294 302 2H6 A 28 2H6 A 28 -5.223 -17.935 -2.342 303 H2 A 28 H2 A 28 -4.803 -14.866 1.929 304 1H5* U 29 2H5* U 29 -4.471 -19.057 7.068 305 2H5* U 29 1H5* U 29 -5.232 -19.275 8.658 306 H4* U 29 H4* U 29 -5.456 -16.983 8.430 307 H3* U 29 H3* U 29 -7.874 -18.275 7.117 308 H2* U 29 H2* U 29 -8.671 -16.116 6.544 309 2HO* U 29 HO2* U 29 -7.494 -15.418 8.805 310 H1* U 29 H1* U 29 -6.272 -15.024 5.806 311 H3 U 29 H3 U 29 -8.599 -15.374 1.938 312 H5 U 29 H5 U 29 -7.502 -19.341 2.830 313 H6 U 29 H6 U 29 -6.638 -18.561 4.959 314 1H5* C 30 2H5* C 30 -9.124 -14.591 9.158 315 2H5* C 30 1H5* C 30 -10.794 -14.885 9.681 316 H4* C 30 H4* C 30 -10.362 -12.993 7.950 317 H3* C 30 H3* C 30 -12.448 -15.187 7.587 318 H2* C 30 H2* C 30 -13.159 -14.023 5.656 319 2HO* C 30 HO2* C 30 -12.457 -11.888 7.112 320 H1* C 30 H1* C 30 -10.617 -13.131 4.877 321 1H4 C 30 1H4 C 30 -12.473 -17.742 0.879 322 2H4 C 30 2H4 C 30 -11.892 -18.951 2.001 323 H5 C 30 H5 C 30 -11.045 -18.417 4.193 324 H6 C 30 H6 C 30 -10.581 -16.614 5.783 325 1H5* U 31 2H5* U 31 -13.892 -11.607 6.089 326 2H5* U 31 1H5* U 31 -15.437 -11.294 6.898 327 H4* U 31 H4* U 31 -15.735 -11.158 4.476 328 H3* U 31 H3* U 31 -17.031 -13.386 6.030 329 H2* U 31 H2* U 31 -17.526 -14.608 4.140 330 2HO* U 31 HO2* U 31 -17.871 -13.006 2.126 331 H1* U 31 H1* U 31 -15.912 -13.087 2.240 332 H3 U 31 H3 U 31 -15.559 -17.259 0.553 333 H5 U 31 H5 U 31 -13.978 -17.611 4.439 334 H6 U 31 H6 U 31 -14.634 -15.312 4.845 335 1H5* C 32 2H5* C 32 -19.549 -11.451 3.053 336 2H5* C 32 1H5* C 32 -21.204 -11.125 3.603 337 H4* C 32 H4* C 32 -21.386 -12.194 1.460 338 H3* C 32 H3* C 32 -21.935 -13.995 3.828 339 H2* C 32 H2* C 32 -22.273 -15.807 2.443 340 2HO* C 32 HO2* C 32 -23.134 -13.835 0.607 341 H1* C 32 H1* C 32 -20.686 -14.868 0.243 342 1H4 C 32 1H4 C 32 -17.810 -20.188 2.135 343 2H4 C 32 2H4 C 32 -17.521 -19.531 3.731 344 H5 C 32 H5 C 32 -18.304 -17.354 4.422 345 H6 C 32 H6 C 32 -19.534 -15.347 3.729 346 H3T C 32 H3T C 32 -23.541 -12.551 3.552 347 1H GLY 364 1HT GLY 364 -8.482 1.951 -22.621 348 2H GLY 364 2HT GLY 364 -7.148 1.117 -23.243 349 3H GLY 364 3HT GLY 364 -7.414 2.730 -23.679 350 1HA GLY 364 1HA GLY 364 -5.791 1.855 -21.669 351 2HA GLY 364 2HA GLY 364 -6.340 3.506 -21.918 352 H SER 365 H SER 365 -5.957 1.373 -19.583 353 HA SER 365 HA SER 365 -8.533 1.663 -18.278 354 1HB SER 365 2HB SER 365 -7.718 -0.428 -17.752 355 2HB SER 365 1HB SER 365 -6.039 0.115 -17.740 356 HG SER 365 HG SER 365 -6.423 1.100 -15.745 357 H LEU 366 H LEU 366 -6.514 3.886 -18.849 358 HA LEU 366 HA LEU 366 -6.250 5.943 -17.871 359 1HB LEU 366 2HB LEU 366 -8.066 4.743 -16.174 360 2HB LEU 366 1HB LEU 366 -6.755 5.209 -15.105 361 HG LEU 366 HG LEU 366 -8.257 7.021 -15.080 362 1HD1 LEU 366 1HD1 LEU 366 -7.022 8.843 -16.226 363 2HD1 LEU 366 2HD1 LEU 366 -6.043 7.619 -17.035 364 3HD1 LEU 366 3HD1 LEU 366 -5.985 7.776 -15.279 365 1HD2 LEU 366 1HD2 LEU 366 -9.774 7.060 -16.720 366 2HD2 LEU 366 2HD2 LEU 366 -8.693 6.249 -17.855 367 3HD2 LEU 366 3HD2 LEU 366 -8.586 7.995 -17.629 368 H ASP 367 H ASP 367 -5.053 3.066 -16.212 369 HA ASP 367 HA ASP 367 -3.101 4.029 -14.594 370 1HB ASP 367 2HB ASP 367 -1.717 1.985 -15.565 371 2HB ASP 367 1HB ASP 367 -3.148 1.729 -14.572 372 H MET 368 H MET 368 -2.088 2.865 -17.785 373 HA MET 368 HA MET 368 0.281 4.089 -18.022 374 1HB MET 368 2HB MET 368 0.212 3.709 -20.281 375 2HB MET 368 1HB MET 368 -1.106 2.678 -19.749 376 1HG MET 368 2HG MET 368 -1.591 5.489 -20.662 377 2HG MET 368 1HG MET 368 -1.462 4.151 -21.801 378 1HE MET 368 1HE MET 368 -4.754 5.815 -19.679 379 2HE MET 368 2HE MET 368 -4.848 5.678 -21.437 380 3HE MET 368 3HE MET 368 -3.412 6.373 -20.681 381 H ASN 369 H ASN 369 -2.842 5.692 -18.679 382 HA ASN 369 HA ASN 369 -1.918 8.146 -19.561 383 1HB ASN 369 2HB ASN 369 -4.365 7.154 -18.272 384 2HB ASN 369 1HB ASN 369 -4.046 8.858 -17.975 385 1HD2 ASN 369 1HD2 ASN 369 -6.033 7.311 -19.624 386 2HD2 ASN 369 2HD2 ASN 369 -5.954 8.043 -21.182 387 H ALA 370 H ALA 370 -2.732 7.271 -16.200 388 HA ALA 370 HA ALA 370 -1.789 9.608 -15.011 389 1HB ALA 370 1HB ALA 370 -1.684 6.926 -13.661 390 2HB ALA 370 2HB ALA 370 -3.199 7.782 -13.949 391 3HB ALA 370 3HB ALA 370 -1.951 8.513 -12.938 392 H LYS 371 H LYS 371 -0.141 6.452 -14.682 393 HA LYS 371 HA LYS 371 2.265 7.188 -13.778 394 1HB LYS 371 2HB LYS 371 3.287 5.356 -15.092 395 2HB LYS 371 1HB LYS 371 1.784 4.876 -14.317 396 1HG LYS 371 2HG LYS 371 0.636 4.757 -16.307 397 2HG LYS 371 1HG LYS 371 1.738 5.864 -17.130 398 1HD LYS 371 2HD LYS 371 2.624 4.016 -18.033 399 2HD LYS 371 1HD LYS 371 3.389 3.785 -16.458 400 1HE LYS 371 2HE LYS 371 1.080 2.385 -17.683 401 2HE LYS 371 1HE LYS 371 2.381 1.753 -16.674 402 1HZ LYS 371 1HZ LYS 371 0.574 1.645 -15.279 403 2HZ LYS 371 2HZ LYS 371 -0.121 3.072 -15.862 404 3HZ LYS 371 3HZ LYS 371 1.227 3.145 -14.843 405 H ARG 372 H ARG 372 1.042 7.805 -16.987 406 HA ARG 372 HA ARG 372 3.469 8.644 -18.171 407 1HB ARG 372 2HB ARG 372 0.645 8.623 -18.865 408 2HB ARG 372 1HB ARG 372 1.432 10.099 -19.406 409 1HG ARG 372 2HG ARG 372 2.954 7.674 -19.988 410 2HG ARG 372 1HG ARG 372 1.372 7.737 -20.772 411 1HD ARG 372 2HD ARG 372 3.451 9.921 -20.889 412 2HD ARG 372 1HD ARG 372 3.189 8.713 -22.145 413 HE ARG 372 HE ARG 372 0.745 9.929 -21.709 414 1HH1 ARG 372 1HH1 ARG 372 3.927 10.877 -22.760 415 2HH1 ARG 372 2HH1 ARG 372 3.355 12.169 -23.760 416 1HH2 ARG 372 1HH2 ARG 372 -0.020 11.633 -23.025 417 2HH2 ARG 372 2HH2 ARG 372 1.112 12.601 -23.909 418 H GLN 373 H GLN 373 0.766 10.503 -16.754 419 HA GLN 373 HA GLN 373 1.890 13.028 -16.974 420 1HB GLN 373 2HB GLN 373 -0.434 12.076 -15.951 421 2HB GLN 373 1HB GLN 373 0.409 12.486 -14.462 422 1HG GLN 373 2HG GLN 373 -0.065 14.368 -16.767 423 2HG GLN 373 1HG GLN 373 -1.020 14.305 -15.287 424 1HE2 GLN 373 1HE2 GLN 373 1.071 13.896 -13.463 425 2HE2 GLN 373 2HE2 GLN 373 2.020 15.337 -13.393 426 H LEU 374 H LEU 374 2.374 10.531 -14.559 427 HA LEU 374 HA LEU 374 3.820 12.066 -12.714 428 1HB LEU 374 2HB LEU 374 4.303 9.136 -13.059 429 2HB LEU 374 1HB LEU 374 4.262 10.086 -11.588 430 HG LEU 374 HG LEU 374 1.956 9.076 -13.225 431 1HD1 LEU 374 1HD1 LEU 374 2.854 7.623 -11.477 432 2HD1 LEU 374 2HD1 LEU 374 1.229 8.182 -11.081 433 3HD1 LEU 374 3HD1 LEU 374 2.627 8.910 -10.291 434 1HD2 LEU 374 1HD2 LEU 374 0.670 10.801 -12.689 435 2HD2 LEU 374 2HD2 LEU 374 2.087 11.627 -12.040 436 3HD2 LEU 374 3HD2 LEU 374 1.090 10.626 -10.986 437 H TYR 375 H TYR 375 5.382 9.382 -14.471 438 HA TYR 375 HA TYR 375 7.887 10.811 -14.317 439 1HB TYR 375 2HB TYR 375 7.125 8.042 -15.210 440 2HB TYR 375 1HB TYR 375 8.758 8.667 -15.417 441 HD1 TYR 375 HD1 TYR 375 6.760 9.636 -12.506 442 HD2 TYR 375 HD2 TYR 375 9.698 6.932 -13.980 443 HE1 TYR 375 HE1 TYR 375 7.299 8.974 -10.203 444 HE2 TYR 375 HE2 TYR 375 10.242 6.263 -11.679 445 HH TYR 375 HH TYR 375 8.930 6.274 -9.395 446 H SER 376 H SER 376 5.561 11.382 -16.366 447 HA SER 376 HA SER 376 7.417 11.661 -18.636 448 1HB SER 376 2HB SER 376 5.356 9.949 -18.759 449 2HB SER 376 1HB SER 376 4.529 11.419 -19.270 450 HG SER 376 HG SER 376 6.946 10.474 -20.415 451 H LEU 377 H LEU 377 5.231 13.201 -16.508 452 HA LEU 377 HA LEU 377 5.374 15.607 -18.199 453 1HB LEU 377 2HB LEU 377 3.074 14.432 -16.738 454 2HB LEU 377 1HB LEU 377 3.203 16.177 -16.771 455 HG LEU 377 HG LEU 377 3.335 16.011 -19.290 456 1HD1 LEU 377 1HD1 LEU 377 1.983 13.425 -19.296 457 2HD1 LEU 377 2HD1 LEU 377 3.679 13.338 -18.824 458 3HD1 LEU 377 3HD1 LEU 377 3.232 14.058 -20.370 459 1HD2 LEU 377 1HD2 LEU 377 1.086 16.271 -19.445 460 2HD2 LEU 377 2HD2 LEU 377 1.235 16.338 -17.690 461 3HD2 LEU 377 3HD2 LEU 377 0.739 14.840 -18.476 462 H ILE 378 H ILE 378 5.856 14.216 -15.050 463 HA ILE 378 HA ILE 378 6.819 16.836 -14.141 464 HB ILE 378 HB ILE 378 5.328 15.002 -12.286 465 1HG1 ILE 378 2HG1 ILE 378 3.772 15.627 -14.048 466 2HG1 ILE 378 1HG1 ILE 378 3.380 16.500 -12.571 467 1HG2 ILE 378 1HG2 ILE 378 5.985 16.452 -10.748 468 2HG2 ILE 378 2HG2 ILE 378 5.160 17.748 -11.615 469 3HG2 ILE 378 3HG2 ILE 378 6.845 17.376 -11.979 470 1HD1 ILE 378 1HD1 ILE 378 3.706 17.580 -15.085 471 2HD1 ILE 378 2HD1 ILE 378 5.207 17.986 -14.252 472 3HD1 ILE 378 3HD1 ILE 378 3.655 18.464 -13.562 473 H GLY 379 H GLY 379 6.535 13.628 -12.625 474 1HA GLY 379 2HA GLY 379 8.853 13.612 -11.186 475 2HA GLY 379 1HA GLY 379 8.123 12.162 -11.849 476 H TYR 380 H TYR 380 10.405 14.772 -12.553 477 HA TYR 380 HA TYR 380 11.505 13.449 -14.845 478 1HB TYR 380 2HB TYR 380 13.158 15.261 -14.828 479 2HB TYR 380 1HB TYR 380 11.528 15.894 -14.648 480 HD1 TYR 380 HD1 TYR 380 14.683 15.195 -12.861 481 HD2 TYR 380 HD2 TYR 380 10.873 17.078 -12.693 482 HE1 TYR 380 HE1 TYR 380 15.373 16.395 -10.828 483 HE2 TYR 380 HE2 TYR 380 11.550 18.284 -10.661 484 HH TYR 380 HH TYR 380 14.749 18.485 -9.620 485 H ALA 381 H ALA 381 14.274 13.879 -14.403 486 HA ALA 381 HA ALA 381 14.866 11.477 -12.912 487 1HB ALA 381 1HB ALA 381 16.519 11.264 -14.368 488 2HB ALA 381 2HB ALA 381 17.232 12.786 -13.834 489 3HB ALA 381 3HB ALA 381 16.022 12.782 -15.118 490 H SER 382 H SER 382 14.941 11.674 -10.785 491 HA SER 382 HA SER 382 16.078 12.104 -8.808 492 1HB SER 382 2HB SER 382 17.869 13.195 -10.415 493 2HB SER 382 1HB SER 382 17.183 14.697 -9.797 494 HG SER 382 HG SER 382 19.028 13.532 -8.629 495 H LEU 383 H LEU 383 13.457 12.677 -9.188 496 HA LEU 383 HA LEU 383 13.066 15.363 -8.071 497 1HB LEU 383 2HB LEU 383 11.752 14.419 -10.112 498 2HB LEU 383 1HB LEU 383 10.835 13.541 -8.900 499 HG LEU 383 HG LEU 383 11.163 16.527 -8.771 500 1HD1 LEU 383 1HD1 LEU 383 8.585 15.717 -9.726 501 2HD1 LEU 383 2HD1 LEU 383 9.846 15.147 -10.819 502 3HD1 LEU 383 3HD1 LEU 383 9.730 16.862 -10.426 503 1HD2 LEU 383 1HD2 LEU 383 10.261 16.010 -6.771 504 2HD2 LEU 383 2HD2 LEU 383 9.639 14.457 -7.332 505 3HD2 LEU 383 3HD2 LEU 383 8.764 15.944 -7.703 506 H ARG 384 H ARG 384 12.961 12.010 -7.323 507 HA ARG 384 HA ARG 384 12.863 10.988 -5.277 508 1HB ARG 384 2HB ARG 384 13.474 13.405 -4.445 509 2HB ARG 384 1HB ARG 384 11.790 13.440 -3.943 510 1HG ARG 384 2HG ARG 384 13.054 12.740 -2.072 511 2HG ARG 384 1HG ARG 384 12.222 11.309 -2.687 512 1HD ARG 384 2HD ARG 384 14.271 10.644 -3.867 513 2HD ARG 384 1HD ARG 384 15.095 12.061 -3.218 514 HE ARG 384 HE ARG 384 14.194 10.787 -1.002 515 1HH1 ARG 384 1HH1 ARG 384 16.072 9.776 -3.756 516 2HH1 ARG 384 2HH1 ARG 384 16.960 8.579 -2.876 517 1HH2 ARG 384 1HH2 ARG 384 15.363 9.213 0.170 518 2HH2 ARG 384 2HH2 ARG 384 16.558 8.258 -0.642 519 H LEU 385 H LEU 385 10.466 12.072 -7.123 520 HA LEU 385 HA LEU 385 8.140 11.922 -5.602 521 1HB LEU 385 2HB LEU 385 8.443 12.599 -8.064 522 2HB LEU 385 1HB LEU 385 8.335 10.884 -8.416 523 HG LEU 385 HG LEU 385 6.168 12.245 -6.851 524 1HD1 LEU 385 1HD1 LEU 385 5.392 13.375 -8.596 525 2HD1 LEU 385 2HD1 LEU 385 5.525 11.960 -9.642 526 3HD1 LEU 385 3HD1 LEU 385 6.910 13.029 -9.424 527 1HD2 LEU 385 1HD2 LEU 385 5.421 10.147 -6.853 528 2HD2 LEU 385 2HD2 LEU 385 6.646 9.637 -8.015 529 3HD2 LEU 385 3HD2 LEU 385 5.131 10.343 -8.581 530 H HIS 386 H HIS 386 6.937 10.317 -4.799 531 HA HIS 386 HA HIS 386 7.173 7.611 -5.678 532 1HB HIS 386 2HB HIS 386 8.115 6.661 -3.606 533 2HB HIS 386 1HB HIS 386 9.262 7.684 -4.461 534 HD1 HIS 386 HD1 HIS 386 10.200 9.663 -3.213 535 HD2 HIS 386 HD2 HIS 386 7.059 7.827 -1.206 536 HE1 HIS 386 HE1 HIS 386 10.168 10.701 -0.924 537 HE2 HIS 386 HE2 HIS 386 8.232 9.605 0.262 538 H TYR 387 H TYR 387 5.669 6.236 -4.845 539 HA TYR 387 HA TYR 387 3.522 7.518 -3.325 540 1HB TYR 387 2HB TYR 387 3.609 5.056 -5.068 541 2HB TYR 387 1HB TYR 387 2.222 5.460 -4.061 542 HD1 TYR 387 HD1 TYR 387 4.467 7.375 -6.341 543 HD2 TYR 387 HD2 TYR 387 0.485 6.330 -5.286 544 HE1 TYR 387 HE1 TYR 387 3.626 8.840 -8.116 545 HE2 TYR 387 HE2 TYR 387 -0.380 7.791 -7.060 546 HH TYR 387 HH TYR 387 0.965 10.114 -8.346 547 H VAL 388 H VAL 388 2.832 6.758 -1.385 548 HA VAL 388 HA VAL 388 4.321 4.480 -0.273 549 HB VAL 388 HB VAL 388 3.424 5.847 1.931 550 1HG1 VAL 388 1HG1 VAL 388 5.674 6.034 2.425 551 2HG1 VAL 388 2HG1 VAL 388 6.114 6.421 0.759 552 3HG1 VAL 388 3HG1 VAL 388 5.673 4.767 1.195 553 1HG2 VAL 388 1HG2 VAL 388 2.846 7.734 0.323 554 2HG2 VAL 388 2HG2 VAL 388 4.584 7.930 0.093 555 3HG2 VAL 388 3HG2 VAL 388 3.877 8.153 1.693 556 H THR 389 H THR 389 3.134 2.802 0.081 557 HA THR 389 HA THR 389 0.263 2.942 0.026 558 HB THR 389 HB THR 389 2.125 0.615 0.481 559 HG1 THR 389 HG1 THR 389 0.685 1.573 -1.765 560 1HG2 THR 389 1HG2 THR 389 0.351 -0.844 0.594 561 2HG2 THR 389 2HG2 THR 389 -0.744 0.257 -0.242 562 3HG2 THR 389 3HG2 THR 389 -0.326 0.544 1.446 563 H VAL 390 H VAL 390 -1.091 3.032 1.683 564 HA VAL 390 HA VAL 390 -0.144 2.266 4.346 565 HB VAL 390 HB VAL 390 -1.259 4.232 5.350 566 1HG1 VAL 390 1HG1 VAL 390 0.740 5.197 5.347 567 2HG1 VAL 390 2HG1 VAL 390 0.524 5.727 3.679 568 3HG1 VAL 390 3HG1 VAL 390 1.213 4.140 4.018 569 1HG2 VAL 390 1HG2 VAL 390 -1.286 5.855 2.949 570 2HG2 VAL 390 2HG2 VAL 390 -2.526 5.646 4.189 571 3HG2 VAL 390 3HG2 VAL 390 -2.416 4.502 2.851 572 H LYS 391 H LYS 391 -1.823 1.736 5.826 573 HA LYS 391 HA LYS 391 -3.927 1.083 6.480 574 1HB LYS 391 2HB LYS 391 -4.562 2.750 4.441 575 2HB LYS 391 1HB LYS 391 -5.147 1.222 3.800 576 1HG LYS 391 2HG LYS 391 -5.963 2.550 6.372 577 2HG LYS 391 1HG LYS 391 -6.948 2.307 4.928 578 1HD LYS 391 2HD LYS 391 -7.369 0.140 5.421 579 2HD LYS 391 1HD LYS 391 -5.765 -0.122 6.110 580 1HE LYS 391 2HE LYS 391 -7.258 1.719 7.731 581 2HE LYS 391 1HE LYS 391 -8.185 0.239 7.482 582 1HZ LYS 391 1HZ LYS 391 -6.656 0.244 9.449 583 2HZ LYS 391 2HZ LYS 391 -5.355 0.239 8.367 584 3HZ LYS 391 3HZ LYS 391 -6.445 -1.054 8.384 585 H LYS 392 H LYS 392 -1.982 -0.673 5.941 586 HA LYS 392 HA LYS 392 -1.925 -2.577 4.132 587 1HB LYS 392 2HB LYS 392 -2.106 -3.052 7.105 588 2HB LYS 392 1HB LYS 392 -1.644 -4.295 5.952 589 1HG LYS 392 2HG LYS 392 0.412 -3.552 6.608 590 2HG LYS 392 1HG LYS 392 0.130 -2.510 5.213 591 1HD LYS 392 2HD LYS 392 -1.033 -1.235 7.448 592 2HD LYS 392 1HD LYS 392 0.567 -1.785 7.943 593 1HE LYS 392 2HE LYS 392 1.566 -0.660 6.033 594 2HE LYS 392 1HE LYS 392 -0.029 -0.151 5.480 595 1HZ LYS 392 1HZ LYS 392 1.669 1.125 7.310 596 2HZ LYS 392 2HZ LYS 392 0.261 0.674 8.130 597 3HZ LYS 392 3HZ LYS 392 0.159 1.638 6.745 598 HA PRO 393 HA PRO 393 -6.230 -3.597 3.360 599 1HB PRO 393 2HB PRO 393 -5.359 -5.856 1.861 600 2HB PRO 393 1HB PRO 393 -5.979 -4.321 1.263 601 1HG PRO 393 2HG PRO 393 -3.210 -5.271 1.475 602 2HG PRO 393 1HG PRO 393 -3.880 -3.985 0.460 603 1HD PRO 393 2HD PRO 393 -2.294 -3.532 2.629 604 2HD PRO 393 1HD PRO 393 -3.509 -2.377 2.049 605 H THR 394 H THR 394 -7.616 -5.292 3.754 606 HA THR 394 HA THR 394 -6.568 -7.390 5.553 607 HB THR 394 HB THR 394 -8.735 -7.268 6.791 608 HG1 THR 394 HG1 THR 394 -9.321 -5.512 4.830 609 1HG2 THR 394 1HG2 THR 394 -6.589 -5.295 6.812 610 2HG2 THR 394 2HG2 THR 394 -7.335 -6.170 8.150 611 3HG2 THR 394 3HG2 THR 394 -8.086 -4.700 7.527 612 H ALA 395 H ALA 395 -8.045 -9.259 5.808 613 HA ALA 395 HA ALA 395 -8.965 -10.134 3.194 614 1HB ALA 395 1HB ALA 395 -8.967 -11.746 5.723 615 2HB ALA 395 2HB ALA 395 -7.520 -11.529 4.738 616 3HB ALA 395 3HB ALA 395 -8.939 -12.324 4.057 617 H VAL 396 H VAL 396 -10.379 -8.232 5.148 618 HA VAL 396 HA VAL 396 -13.031 -9.379 4.769 619 HB VAL 396 HB VAL 396 -12.909 -9.981 6.977 620 1HG1 VAL 396 1HG1 VAL 396 -10.639 -9.309 7.341 621 2HG1 VAL 396 2HG1 VAL 396 -11.625 -8.736 8.691 622 3HG1 VAL 396 3HG1 VAL 396 -11.112 -7.610 7.432 623 1HG2 VAL 396 1HG2 VAL 396 -13.559 -7.098 7.511 624 2HG2 VAL 396 2HG2 VAL 396 -14.202 -8.539 8.299 625 3HG2 VAL 396 3HG2 VAL 396 -14.668 -8.157 6.641 626 H ASP 397 H ASP 397 -11.053 -7.099 4.004 627 HA ASP 397 HA ASP 397 -12.808 -5.276 2.972 628 1HB ASP 397 2HB ASP 397 -12.393 -3.316 4.571 629 2HB ASP 397 1HB ASP 397 -13.554 -4.532 5.092 630 HA PRO 398 HA PRO 398 -8.140 -5.519 1.986 631 1HB PRO 398 2HB PRO 398 -9.079 -5.081 -0.696 632 2HB PRO 398 1HB PRO 398 -8.287 -6.506 -0.030 633 1HG PRO 398 2HG PRO 398 -11.151 -5.995 -0.471 634 2HG PRO 398 1HG PRO 398 -10.291 -7.537 -0.322 635 1HD PRO 398 2HD PRO 398 -11.927 -6.615 1.611 636 2HD PRO 398 1HD PRO 398 -10.463 -7.550 1.987 637 H ASN 399 H ASN 399 -10.781 -3.391 1.119 638 HA ASN 399 HA ASN 399 -9.935 -1.264 -0.112 639 1HB ASN 399 2HB ASN 399 -11.287 -1.215 2.583 640 2HB ASN 399 1HB ASN 399 -11.100 0.216 1.574 641 1HD2 ASN 399 1HD2 ASN 399 -12.376 0.476 -0.207 642 2HD2 ASN 399 2HD2 ASN 399 -13.697 -0.569 -0.590 643 H SER 400 H SER 400 -7.958 -0.411 -0.256 644 HA SER 400 HA SER 400 -6.635 0.425 2.235 645 1HB SER 400 2HB SER 400 -5.190 -0.588 -0.223 646 2HB SER 400 1HB SER 400 -4.484 -0.190 1.344 647 HG SER 400 HG SER 400 -5.986 -2.419 0.573 648 H ILE 401 H ILE 401 -5.057 2.208 1.900 649 HA ILE 401 HA ILE 401 -5.907 3.963 -0.308 650 HB ILE 401 HB ILE 401 -6.763 4.782 1.791 651 1HG1 ILE 401 2HG1 ILE 401 -4.949 6.876 1.907 652 2HG1 ILE 401 1HG1 ILE 401 -4.776 6.277 0.265 653 1HG2 ILE 401 1HG2 ILE 401 -4.384 3.754 2.839 654 2HG2 ILE 401 2HG2 ILE 401 -5.728 4.494 3.709 655 3HG2 ILE 401 3HG2 ILE 401 -4.373 5.486 3.170 656 1HD1 ILE 401 1HD1 ILE 401 -7.092 6.625 -0.180 657 2HD1 ILE 401 2HD1 ILE 401 -6.431 8.101 0.524 658 3HD1 ILE 401 3HD1 ILE 401 -7.406 7.013 1.511 659 H VAL 402 H VAL 402 -4.294 5.339 -1.221 660 HA VAL 402 HA VAL 402 -1.526 4.494 -0.672 661 HB VAL 402 HB VAL 402 -2.030 5.623 -3.331 662 1HG1 VAL 402 1HG1 VAL 402 -0.861 2.936 -2.748 663 2HG1 VAL 402 2HG1 VAL 402 0.031 4.403 -2.347 664 3HG1 VAL 402 3HG1 VAL 402 -0.446 4.090 -4.015 665 1HG2 VAL 402 1HG2 VAL 402 -2.932 3.323 -4.103 666 2HG2 VAL 402 2HG2 VAL 402 -4.059 4.510 -3.443 667 3HG2 VAL 402 3HG2 VAL 402 -3.496 3.172 -2.438 668 H GLU 403 H GLU 403 0.119 6.161 -0.974 669 HA GLU 403 HA GLU 403 -0.998 8.889 -0.872 670 1HB GLU 403 2HB GLU 403 0.971 7.516 0.886 671 2HB GLU 403 1HB GLU 403 1.261 9.211 0.514 672 1HG GLU 403 2HG GLU 403 -1.226 8.068 1.766 673 2HG GLU 403 1HG GLU 403 0.041 8.975 2.593 674 H CYS 404 H CYS 404 -0.173 10.295 -2.286 675 HA CYS 404 HA CYS 404 2.254 9.493 -3.757 676 1HB CYS 404 2HB CYS 404 1.163 11.349 -5.386 677 2HB CYS 404 1HB CYS 404 0.799 9.631 -5.508 678 HG CYS 404 HG CYS 404 -1.267 11.595 -5.200 679 H ARG 405 H ARG 405 3.968 10.614 -3.048 680 HA ARG 405 HA ARG 405 3.616 13.483 -2.624 681 1HB ARG 405 2HB ARG 405 4.313 13.509 -0.467 682 2HB ARG 405 1HB ARG 405 3.656 11.881 -0.478 683 1HG ARG 405 2HG ARG 405 6.255 11.509 -1.315 684 2HG ARG 405 1HG ARG 405 6.390 12.789 -0.108 685 1HD ARG 405 2HD ARG 405 4.970 10.163 0.307 686 2HD ARG 405 1HD ARG 405 6.615 10.512 0.838 687 HE ARG 405 HE ARG 405 4.726 12.414 1.827 688 1HH1 ARG 405 1HH1 ARG 405 6.069 9.243 2.337 689 2HH1 ARG 405 2HH1 ARG 405 5.702 9.217 4.028 690 1HH2 ARG 405 1HH2 ARG 405 4.238 12.390 4.056 691 2HH2 ARG 405 2HH2 ARG 405 4.657 11.004 5.006 692 H VAL 406 H VAL 406 6.114 14.087 -1.728 693 HA VAL 406 HA VAL 406 8.113 12.974 -3.486 694 HB VAL 406 HB VAL 406 8.439 15.604 -4.174 695 1HG1 VAL 406 1HG1 VAL 406 7.624 14.866 -6.392 696 2HG1 VAL 406 2HG1 VAL 406 6.997 13.399 -5.631 697 3HG1 VAL 406 3HG1 VAL 406 8.733 13.718 -5.637 698 1HG2 VAL 406 1HG2 VAL 406 6.006 15.753 -3.168 699 2HG2 VAL 406 2HG2 VAL 406 5.563 15.131 -4.756 700 3HG2 VAL 406 3HG2 VAL 406 6.451 16.650 -4.619 701 H GLY 407 H GLY 407 10.149 13.359 -2.811 702 1HA GLY 407 2HA GLY 407 11.855 14.031 -1.415 703 2HA GLY 407 1HA GLY 407 10.937 15.508 -1.141 704 H ASP 408 H ASP 408 9.016 12.865 -0.476 705 HA ASP 408 HA ASP 408 8.336 11.804 1.423 706 1HB ASP 408 2HB ASP 408 10.868 11.474 1.712 707 2HB ASP 408 1HB ASP 408 10.790 12.821 2.843 708 H GLY 409 H GLY 409 7.571 14.500 0.811 709 1HA GLY 409 2HA GLY 409 6.606 15.251 3.445 710 2HA GLY 409 1HA GLY 409 7.645 16.434 2.669 711 H THR 410 H THR 410 6.849 16.380 0.072 712 HA THR 410 HA THR 410 4.294 17.709 0.244 713 HB THR 410 HB THR 410 6.155 17.258 -2.091 714 HG1 THR 410 HG1 THR 410 5.811 19.288 -0.206 715 1HG2 THR 410 1HG2 THR 410 4.785 18.546 -3.458 716 2HG2 THR 410 2HG2 THR 410 3.884 19.212 -2.095 717 3HG2 THR 410 3HG2 THR 410 3.626 17.540 -2.590 718 H VAL 411 H VAL 411 2.540 16.437 0.353 719 HA VAL 411 HA VAL 411 2.368 13.978 -1.214 720 HB VAL 411 HB VAL 411 0.447 15.215 0.764 721 1HG1 VAL 411 1HG1 VAL 411 0.303 12.601 -0.734 722 2HG1 VAL 411 2HG1 VAL 411 -0.815 13.960 -0.855 723 3HG1 VAL 411 3HG1 VAL 411 -0.722 13.025 0.637 724 1HG2 VAL 411 1HG2 VAL 411 1.557 14.130 2.356 725 2HG2 VAL 411 2HG2 VAL 411 2.806 13.772 1.161 726 3HG2 VAL 411 3HG2 VAL 411 1.499 12.622 1.441 727 H LEU 412 H LEU 412 1.776 14.189 -3.288 728 HA LEU 412 HA LEU 412 0.394 16.430 -4.323 729 1HB LEU 412 2HB LEU 412 0.637 13.679 -5.546 730 2HB LEU 412 1HB LEU 412 0.209 15.152 -6.395 731 HG LEU 412 HG LEU 412 2.398 15.079 -6.978 732 1HD1 LEU 412 1HD1 LEU 412 3.193 16.076 -4.306 733 2HD1 LEU 412 2HD1 LEU 412 1.935 16.967 -5.162 734 3HD1 LEU 412 3HD1 LEU 412 3.515 16.737 -5.909 735 1HD2 LEU 412 1HD2 LEU 412 3.889 13.606 -6.169 736 2HD2 LEU 412 2HD2 LEU 412 2.497 12.952 -5.304 737 3HD2 LEU 412 3HD2 LEU 412 3.592 14.072 -4.493 738 H GLY 413 H GLY 413 -0.629 13.275 -3.144 739 1HA GLY 413 2HA GLY 413 -3.208 14.115 -2.491 740 2HA GLY 413 1HA GLY 413 -3.291 13.398 -4.093 741 H THR 414 H THR 414 -4.557 11.672 -3.436 742 HA THR 414 HA THR 414 -3.141 9.403 -2.465 743 HB THR 414 HB THR 414 -3.501 10.459 -0.298 744 HG1 THR 414 HG1 THR 414 -4.196 8.646 0.645 745 1HG2 THR 414 1HG2 THR 414 -5.987 11.207 -1.413 746 2HG2 THR 414 2HG2 THR 414 -5.331 11.627 0.169 747 3HG2 THR 414 3HG2 THR 414 -6.325 10.184 -0.018 748 H GLY 415 H GLY 415 -4.624 7.481 -2.215 749 1HA GLY 415 2HA GLY 415 -7.225 7.734 -3.491 750 2HA GLY 415 1HA GLY 415 -6.017 6.855 -4.415 751 H VAL 416 H VAL 416 -8.614 6.167 -2.895 752 HA VAL 416 HA VAL 416 -7.509 3.830 -1.477 753 HB VAL 416 HB VAL 416 -8.633 5.486 0.038 754 1HG1 VAL 416 1HG1 VAL 416 -10.963 4.824 -1.728 755 2HG1 VAL 416 2HG1 VAL 416 -10.384 6.403 -1.198 756 3HG1 VAL 416 3HG1 VAL 416 -11.200 5.335 -0.057 757 1HG2 VAL 416 1HG2 VAL 416 -9.655 2.683 -0.265 758 2HG2 VAL 416 2HG2 VAL 416 -10.206 3.721 1.050 759 3HG2 VAL 416 3HG2 VAL 416 -8.495 3.323 0.900 760 H GLY 417 H GLY 417 -8.648 1.847 -1.756 761 1HA GLY 417 2HA GLY 417 -10.988 1.742 -3.430 762 2HA GLY 417 1HA GLY 417 -9.533 1.221 -4.256 763 H ARG 418 H ARG 418 -11.920 -0.321 -3.620 764 HA ARG 418 HA ARG 418 -11.538 -2.022 -1.418 765 1HB ARG 418 2HB ARG 418 -13.009 -3.611 -2.871 766 2HB ARG 418 1HB ARG 418 -13.685 -2.108 -2.257 767 1HG ARG 418 2HG ARG 418 -13.871 -1.193 -4.309 768 2HG ARG 418 1HG ARG 418 -12.407 -1.970 -4.909 769 1HD ARG 418 2HD ARG 418 -14.560 -2.758 -5.952 770 2HD ARG 418 1HD ARG 418 -13.535 -4.022 -5.274 771 HE ARG 418 HE ARG 418 -15.471 -3.103 -3.394 772 1HH1 ARG 418 1HH1 ARG 418 -15.029 -5.145 -6.179 773 2HH1 ARG 418 2HH1 ARG 418 -16.329 -6.212 -5.766 774 1HH2 ARG 418 1HH2 ARG 418 -17.187 -4.506 -2.837 775 2HH2 ARG 418 2HH2 ARG 418 -17.554 -5.851 -3.866 776 H ASN 419 H ASN 419 -10.565 -2.423 -4.817 777 HA ASN 419 HA ASN 419 -9.060 -4.822 -4.064 778 1HB ASN 419 2HB ASN 419 -8.699 -4.778 -6.692 779 2HB ASN 419 1HB ASN 419 -10.171 -5.435 -5.983 780 1HD2 ASN 419 1HD2 ASN 419 -9.291 -3.862 -8.529 781 2HD2 ASN 419 2HD2 ASN 419 -10.569 -2.714 -8.717 782 H ILE 420 H ILE 420 -8.323 -2.234 -3.264 783 HA ILE 420 HA ILE 420 -6.642 -0.730 -3.157 784 HB ILE 420 HB ILE 420 -4.642 -1.632 -2.642 785 1HG1 ILE 420 2HG1 ILE 420 -4.002 -3.964 -3.757 786 2HG1 ILE 420 1HG1 ILE 420 -5.050 -3.365 -5.035 787 1HG2 ILE 420 1HG2 ILE 420 -6.074 -4.248 -2.627 788 2HG2 ILE 420 2HG2 ILE 420 -6.739 -2.896 -1.709 789 3HG2 ILE 420 3HG2 ILE 420 -5.111 -3.484 -1.362 790 1HD1 ILE 420 1HD1 ILE 420 -3.664 -1.490 -5.423 791 2HD1 ILE 420 2HD1 ILE 420 -2.591 -2.884 -5.287 792 3HD1 ILE 420 3HD1 ILE 420 -2.761 -1.768 -3.933 793 H LYS 421 H LYS 421 -6.182 -2.580 -6.224 794 HA LYS 421 HA LYS 421 -4.312 -0.961 -7.396 795 1HB LYS 421 2HB LYS 421 -4.747 -2.605 -8.870 796 2HB LYS 421 1HB LYS 421 -6.429 -2.740 -8.383 797 1HG LYS 421 2HG LYS 421 -5.418 -0.522 -10.136 798 2HG LYS 421 1HG LYS 421 -5.987 -2.068 -10.774 799 1HD LYS 421 2HD LYS 421 -8.013 -1.409 -9.092 800 2HD LYS 421 1HD LYS 421 -7.490 0.181 -9.644 801 1HE LYS 421 2HE LYS 421 -7.844 -0.404 -11.926 802 2HE LYS 421 1HE LYS 421 -8.087 -2.101 -11.514 803 1HZ LYS 421 1HZ LYS 421 -9.952 0.087 -11.449 804 2HZ LYS 421 2HZ LYS 421 -9.973 -0.848 -10.040 805 3HZ LYS 421 3HZ LYS 421 -10.241 -1.576 -11.543 806 H ILE 422 H ILE 422 -7.804 -0.491 -7.224 807 HA ILE 422 HA ILE 422 -8.044 1.851 -8.686 808 HB ILE 422 HB ILE 422 -9.500 2.000 -6.145 809 1HG1 ILE 422 2HG1 ILE 422 -11.059 0.089 -6.973 810 2HG1 ILE 422 1HG1 ILE 422 -9.624 -0.485 -7.818 811 1HG2 ILE 422 1HG2 ILE 422 -10.158 3.387 -7.940 812 2HG2 ILE 422 2HG2 ILE 422 -11.426 2.173 -7.746 813 3HG2 ILE 422 3HG2 ILE 422 -10.252 2.021 -9.053 814 1HD1 ILE 422 1HD1 ILE 422 -9.224 -1.594 -5.927 815 2HD1 ILE 422 2HD1 ILE 422 -10.290 -0.558 -4.976 816 3HD1 ILE 422 3HD1 ILE 422 -8.638 -0.041 -5.327 817 H ALA 423 H ALA 423 -6.977 1.251 -5.401 818 HA ALA 423 HA ALA 423 -6.617 3.929 -4.610 819 1HB ALA 423 1HB ALA 423 -6.416 1.517 -3.372 820 2HB ALA 423 2HB ALA 423 -5.855 3.045 -2.686 821 3HB ALA 423 3HB ALA 423 -4.717 1.978 -3.512 822 H GLY 424 H GLY 424 -4.434 1.545 -6.101 823 1HA GLY 424 2HA GLY 424 -2.139 3.173 -6.177 824 2HA GLY 424 1HA GLY 424 -2.467 1.825 -7.261 825 H ILE 425 H ILE 425 -4.120 2.323 -9.018 826 HA ILE 425 HA ILE 425 -3.164 4.316 -10.681 827 HB ILE 425 HB ILE 425 -5.831 2.925 -10.604 828 1HG1 ILE 425 2HG1 ILE 425 -4.984 1.580 -12.284 829 2HG1 ILE 425 1HG1 ILE 425 -3.882 2.823 -12.867 830 1HG2 ILE 425 1HG2 ILE 425 -5.885 3.975 -13.056 831 2HG2 ILE 425 2HG2 ILE 425 -5.034 5.275 -12.221 832 3HG2 ILE 425 3HG2 ILE 425 -6.629 4.766 -11.666 833 1HD1 ILE 425 1HD1 ILE 425 -2.467 2.456 -10.891 834 2HD1 ILE 425 2HD1 ILE 425 -2.644 1.009 -11.885 835 3HD1 ILE 425 3HD1 ILE 425 -3.553 1.163 -10.380 836 H ARG 426 H ARG 426 -5.612 4.504 -8.172 837 HA ARG 426 HA ARG 426 -6.680 7.021 -8.863 838 1HB ARG 426 2HB ARG 426 -7.897 5.653 -7.319 839 2HB ARG 426 1HB ARG 426 -6.528 5.585 -6.213 840 1HG ARG 426 2HG ARG 426 -8.029 7.099 -5.251 841 2HG ARG 426 1HG ARG 426 -6.775 8.101 -5.987 842 1HD ARG 426 2HD ARG 426 -8.196 9.002 -7.470 843 2HD ARG 426 1HD ARG 426 -9.008 7.466 -7.769 844 HE ARG 426 HE ARG 426 -9.726 9.470 -5.788 845 1HH1 ARG 426 1HH1 ARG 426 -10.211 6.252 -7.037 846 2HH1 ARG 426 2HH1 ARG 426 -11.763 6.061 -6.295 847 1HH2 ARG 426 1HH2 ARG 426 -11.769 9.227 -4.814 848 2HH2 ARG 426 2HH2 ARG 426 -12.650 7.752 -5.033 849 H ALA 427 H ALA 427 -4.264 6.200 -6.332 850 HA ALA 427 HA ALA 427 -3.607 8.706 -5.497 851 1HB ALA 427 1HB ALA 427 -1.928 6.262 -5.879 852 2HB ALA 427 2HB ALA 427 -2.436 7.058 -4.391 853 3HB ALA 427 3HB ALA 427 -1.173 7.779 -5.384 854 H ALA 428 H ALA 428 -2.623 7.103 -8.479 855 HA ALA 428 HA ALA 428 -0.832 9.066 -9.413 856 1HB ALA 428 1HB ALA 428 -2.537 7.641 -11.384 857 2HB ALA 428 2HB ALA 428 -1.492 6.667 -10.348 858 3HB ALA 428 3HB ALA 428 -0.793 7.912 -11.384 859 H GLU 429 H GLU 429 -4.230 8.517 -10.337 860 HA GLU 429 HA GLU 429 -4.698 10.774 -11.806 861 1HB GLU 429 2HB GLU 429 -6.513 9.284 -9.917 862 2HB GLU 429 1HB GLU 429 -7.083 10.600 -10.933 863 1HG GLU 429 2HG GLU 429 -6.155 9.274 -12.896 864 2HG GLU 429 1HG GLU 429 -6.029 7.922 -11.770 865 H ASN 430 H ASN 430 -4.085 10.529 -8.436 866 HA ASN 430 HA ASN 430 -5.228 13.074 -7.720 867 1HB ASN 430 2HB ASN 430 -3.924 10.831 -6.339 868 2HB ASN 430 1HB ASN 430 -3.542 12.412 -5.664 869 1HD2 ASN 430 1HD2 ASN 430 -6.187 10.269 -6.552 870 2HD2 ASN 430 2HD2 ASN 430 -7.326 10.904 -5.419 871 H ALA 431 H ALA 431 -2.039 11.776 -8.499 872 HA ALA 431 HA ALA 431 -0.508 13.998 -7.708 873 1HB ALA 431 1HB ALA 431 0.775 12.119 -8.056 874 2HB ALA 431 2HB ALA 431 1.108 13.046 -9.518 875 3HB ALA 431 3HB ALA 431 -0.041 11.709 -9.564 876 H LEU 432 H LEU 432 -2.138 13.215 -10.706 877 HA LEU 432 HA LEU 432 -1.180 15.723 -11.893 878 1HB LEU 432 2HB LEU 432 -2.339 14.948 -13.967 879 2HB LEU 432 1HB LEU 432 -1.031 13.920 -13.417 880 HG LEU 432 HG LEU 432 -3.219 12.844 -14.278 881 1HD1 LEU 432 1HD1 LEU 432 -2.951 11.240 -12.103 882 2HD1 LEU 432 2HD1 LEU 432 -1.429 12.126 -12.074 883 3HD1 LEU 432 3HD1 LEU 432 -1.892 11.214 -13.511 884 1HD2 LEU 432 1HD2 LEU 432 -4.759 14.160 -12.949 885 2HD2 LEU 432 2HD2 LEU 432 -4.005 13.578 -11.467 886 3HD2 LEU 432 3HD2 LEU 432 -4.881 12.457 -12.508 887 H ARG 433 H ARG 433 -3.384 15.196 -9.741 888 HA ARG 433 HA ARG 433 -5.631 16.551 -11.016 889 1HB ARG 433 2HB ARG 433 -5.872 14.582 -9.403 890 2HB ARG 433 1HB ARG 433 -5.448 15.713 -8.127 891 1HG ARG 433 2HG ARG 433 -7.382 17.138 -8.976 892 2HG ARG 433 1HG ARG 433 -7.871 15.712 -9.893 893 1HD ARG 433 2HD ARG 433 -8.887 14.927 -8.081 894 2HD ARG 433 1HD ARG 433 -7.325 14.841 -7.271 895 HE ARG 433 HE ARG 433 -7.800 16.828 -6.167 896 1HH1 ARG 433 1HH1 ARG 433 -10.300 16.068 -8.475 897 2HH1 ARG 433 2HH1 ARG 433 -11.429 17.204 -7.818 898 1HH2 ARG 433 1HH2 ARG 433 -9.286 18.325 -5.293 899 2HH2 ARG 433 2HH2 ARG 433 -10.853 18.486 -6.011 900 H ASP 434 H ASP 434 -2.816 17.588 -9.844 901 HA ASP 434 HA ASP 434 -4.011 20.002 -8.650 902 1HB ASP 434 2HB ASP 434 -1.515 18.500 -7.956 903 2HB ASP 434 1HB ASP 434 -1.624 20.223 -7.618 904 H LYS 435 H LYS 435 -4.177 21.144 -10.533 905 HA LYS 435 HA LYS 435 -2.298 21.355 -12.568 906 1HB LYS 435 2HB LYS 435 -3.659 22.952 -13.466 907 2HB LYS 435 1HB LYS 435 -4.775 22.281 -12.287 908 1HG LYS 435 2HG LYS 435 -4.032 24.101 -10.713 909 2HG LYS 435 1HG LYS 435 -3.180 24.821 -12.078 910 1HD LYS 435 2HD LYS 435 -6.037 24.108 -12.454 911 2HD LYS 435 1HD LYS 435 -5.666 25.499 -11.432 912 1HE LYS 435 2HE LYS 435 -4.954 26.751 -13.168 913 2HE LYS 435 1HE LYS 435 -4.205 25.378 -13.983 914 1HZ LYS 435 1HZ LYS 435 -6.542 24.657 -14.531 915 2HZ LYS 435 2HZ LYS 435 -5.992 26.042 -15.329 916 3HZ LYS 435 3HZ LYS 435 -7.053 26.187 -14.020 917 H LYS 436 H LYS 436 -2.688 23.399 -9.680 918 HA LYS 436 HA LYS 436 -0.659 25.233 -10.289 919 1HB LYS 436 2HB LYS 436 -1.318 24.381 -7.478 920 2HB LYS 436 1HB LYS 436 -0.819 25.966 -8.053 921 1HG LYS 436 2HG LYS 436 -3.210 25.341 -9.403 922 2HG LYS 436 1HG LYS 436 -3.452 24.921 -7.705 923 1HD LYS 436 2HD LYS 436 -4.096 27.212 -8.018 924 2HD LYS 436 1HD LYS 436 -2.595 27.178 -7.090 925 1HE LYS 436 2HE LYS 436 -1.585 28.430 -8.620 926 2HE LYS 436 1HE LYS 436 -1.968 27.252 -9.874 927 1HZ LYS 436 1HZ LYS 436 -3.072 29.810 -9.468 928 2HZ LYS 436 2HZ LYS 436 -4.303 28.658 -9.333 929 3HZ LYS 436 3HZ LYS 436 -3.357 28.724 -10.734 930 H MET 437 H MET 437 -0.587 22.161 -8.555 931 HA MET 437 HA MET 437 2.176 22.318 -7.871 932 1HB MET 437 2HB MET 437 0.831 20.907 -6.524 933 2HB MET 437 1HB MET 437 0.166 20.078 -7.922 934 1HG MET 437 2HG MET 437 2.830 19.567 -8.173 935 2HG MET 437 1HG MET 437 2.608 19.566 -6.424 936 1HE MET 437 1HE MET 437 3.396 17.074 -8.564 937 2HE MET 437 2HE MET 437 2.218 17.730 -9.702 938 3HE MET 437 3HE MET 437 1.997 16.110 -9.041 939 H LEU 438 H LEU 438 0.345 20.648 -10.415 940 HA LEU 438 HA LEU 438 2.463 19.330 -11.657 941 1HB LEU 438 2HB LEU 438 -0.117 20.452 -12.725 942 2HB LEU 438 1HB LEU 438 1.016 19.601 -13.757 943 HG LEU 438 HG LEU 438 -0.312 18.426 -11.313 944 1HD1 LEU 438 1HD1 LEU 438 -2.048 17.897 -12.584 945 2HD1 LEU 438 2HD1 LEU 438 -0.993 17.188 -13.809 946 3HD1 LEU 438 3HD1 LEU 438 -1.373 18.911 -13.859 947 1HD2 LEU 438 1HD2 LEU 438 1.743 17.313 -11.618 948 2HD2 LEU 438 2HD2 LEU 438 1.573 17.312 -13.374 949 3HD2 LEU 438 3HD2 LEU 438 0.533 16.285 -12.388 950 H ASP 439 H ASP 439 0.947 22.350 -12.797 951 HA ASP 439 HA ASP 439 2.869 23.080 -14.642 952 1HB ASP 439 2HB ASP 439 0.754 24.270 -14.473 953 2HB ASP 439 1HB ASP 439 1.174 24.854 -12.867 954 H PHE 440 H PHE 440 2.797 23.525 -11.169 955 HA PHE 440 HA PHE 440 4.895 25.313 -10.832 956 1HB PHE 440 2HB PHE 440 3.918 24.920 -8.808 957 2HB PHE 440 1HB PHE 440 3.599 23.231 -9.171 958 HD1 PHE 440 HD1 PHE 440 4.892 21.568 -8.207 959 HD2 PHE 440 HD2 PHE 440 6.335 25.569 -8.263 960 HE1 PHE 440 HE1 PHE 440 6.772 20.904 -6.766 961 HE2 PHE 440 HE2 PHE 440 8.221 24.915 -6.824 962 HZ PHE 440 HZ PHE 440 8.441 22.579 -6.073 963 H TYR 441 H TYR 441 4.948 21.802 -11.184 964 HA TYR 441 HA TYR 441 7.738 21.495 -10.901 965 1HB TYR 441 2HB TYR 441 5.556 19.801 -12.075 966 2HB TYR 441 1HB TYR 441 7.244 19.319 -12.228 967 HD1 TYR 441 HD1 TYR 441 8.607 19.008 -10.129 968 HD2 TYR 441 HD2 TYR 441 4.379 19.454 -10.067 969 HE1 TYR 441 HE1 TYR 441 8.549 18.073 -7.860 970 HE2 TYR 441 HE2 TYR 441 4.305 18.520 -7.801 971 HH TYR 441 HH TYR 441 5.712 18.163 -5.905 972 H ALA 442 H ALA 442 5.658 21.728 -13.785 973 HA ALA 442 HA ALA 442 7.419 21.418 -15.815 974 1HB ALA 442 1HB ALA 442 4.978 22.918 -15.476 975 2HB ALA 442 2HB ALA 442 5.598 22.092 -16.905 976 3HB ALA 442 3HB ALA 442 6.084 23.753 -16.566 977 H LYS 443 H LYS 443 6.968 24.427 -13.973 978 HA LYS 443 HA LYS 443 9.060 25.859 -15.216 979 1HB LYS 443 2HB LYS 443 7.601 27.238 -14.062 980 2HB LYS 443 1HB LYS 443 7.500 26.154 -12.683 981 1HG LYS 443 2HG LYS 443 10.157 27.312 -13.124 982 2HG LYS 443 1HG LYS 443 8.892 28.480 -12.733 983 1HD LYS 443 2HD LYS 443 8.301 26.742 -10.860 984 2HD LYS 443 1HD LYS 443 9.972 26.227 -11.101 985 1HE LYS 443 2HE LYS 443 10.557 27.857 -9.702 986 2HE LYS 443 1HE LYS 443 10.131 28.990 -10.984 987 1HZ LYS 443 1HZ LYS 443 8.086 29.420 -10.037 988 2HZ LYS 443 2HZ LYS 443 9.071 29.261 -8.671 989 3HZ LYS 443 3HZ LYS 443 8.062 27.986 -9.141 990 H GLN 444 H GLN 444 8.929 23.743 -12.402 991 HA GLN 444 HA GLN 444 11.550 24.203 -11.459 992 1HB GLN 444 2HB GLN 444 9.510 22.049 -11.082 993 2HB GLN 444 1HB GLN 444 11.150 21.767 -10.517 994 1HG GLN 444 2HG GLN 444 10.710 24.195 -9.460 995 2HG GLN 444 1HG GLN 444 9.065 23.557 -9.470 996 1HE2 GLN 444 1HE2 GLN 444 10.102 20.794 -9.235 997 2HE2 GLN 444 2HE2 GLN 444 10.548 20.614 -7.580 998 H ARG 445 H ARG 445 10.240 21.981 -13.854 999 HA ARG 445 HA ARG 445 12.511 20.357 -14.189 1000 1HB ARG 445 2HB ARG 445 9.964 20.743 -15.490 1001 2HB ARG 445 1HB ARG 445 11.233 20.553 -16.690 1002 1HG ARG 445 2HG ARG 445 10.548 18.642 -14.469 1003 2HG ARG 445 1HG ARG 445 10.272 18.411 -16.196 1004 1HD ARG 445 2HD ARG 445 13.034 19.037 -15.703 1005 2HD ARG 445 1HD ARG 445 12.532 17.680 -14.701 1006 HE ARG 445 HE ARG 445 12.096 16.430 -16.634 1007 1HH1 ARG 445 1HH1 ARG 445 13.279 19.627 -17.413 1008 2HH1 ARG 445 2HH1 ARG 445 13.686 19.209 -19.042 1009 1HH2 ARG 445 1HH2 ARG 445 12.634 15.889 -18.774 1010 2HH2 ARG 445 2HH2 ARG 445 13.320 17.092 -19.814 1011 H ALA 446 H ALA 446 11.407 23.202 -16.030 1012 HA ALA 446 HA ALA 446 13.655 23.308 -17.733 1013 1HB ALA 446 1HB ALA 446 11.720 24.477 -18.427 1014 2HB ALA 446 2HB ALA 446 12.939 25.707 -18.094 1015 3HB ALA 446 3HB ALA 446 11.650 25.404 -16.929 1016 H ALA 447 H ALA 447 12.982 24.671 -14.584 1017 HA ALA 447 HA ALA 447 15.228 26.392 -14.444 1018 1HB ALA 447 1HB ALA 447 13.053 26.153 -12.915 1019 2HB ALA 447 2HB ALA 447 14.541 26.904 -12.341 1020 3HB ALA 447 3HB ALA 447 14.184 25.225 -11.931 1021 H ILE 448 H ILE 448 14.667 23.440 -12.559 1022 HA ILE 448 HA ILE 448 16.967 22.831 -11.462 1023 HB ILE 448 HB ILE 448 16.637 20.446 -11.987 1024 1HG1 ILE 448 2HG1 ILE 448 14.160 20.968 -13.504 1025 2HG1 ILE 448 1HG1 ILE 448 15.663 21.277 -14.369 1026 1HG2 ILE 448 1HG2 ILE 448 14.746 22.231 -10.779 1027 2HG2 ILE 448 2HG2 ILE 448 15.221 20.606 -10.287 1028 3HG2 ILE 448 3HG2 ILE 448 13.920 20.827 -11.456 1029 1HD1 ILE 448 1HD1 ILE 448 14.436 18.749 -13.561 1030 2HD1 ILE 448 2HD1 ILE 448 16.174 18.851 -13.276 1031 3HD1 ILE 448 3HD1 ILE 448 15.529 19.112 -14.897 1032 HA PRO 449 HA PRO 449 20.485 23.056 -14.088 1033 1HB PRO 449 2HB PRO 449 21.073 20.466 -12.693 1034 2HB PRO 449 1HB PRO 449 22.146 21.838 -13.001 1035 1HG PRO 449 2HG PRO 449 21.074 21.516 -10.603 1036 2HG PRO 449 1HG PRO 449 21.176 23.134 -11.324 1037 1HD PRO 449 2HD PRO 449 18.811 21.363 -10.975 1038 2HD PRO 449 1HD PRO 449 18.907 23.135 -10.969 1039 H ARG 450 H ARG 450 21.789 21.504 -15.541 1040 HA ARG 450 HA ARG 450 21.772 20.290 -17.470 1041 1HB ARG 450 2HB ARG 450 20.722 18.617 -15.335 1042 2HB ARG 450 1HB ARG 450 20.136 18.109 -16.913 1043 1HG ARG 450 2HG ARG 450 22.176 16.934 -16.282 1044 2HG ARG 450 1HG ARG 450 22.415 17.921 -17.724 1045 1HD ARG 450 2HD ARG 450 24.283 18.530 -16.581 1046 2HD ARG 450 1HD ARG 450 23.161 19.708 -15.905 1047 HE ARG 450 HE ARG 450 22.903 17.732 -14.156 1048 1HH1 ARG 450 1HH1 ARG 450 25.771 19.090 -15.595 1049 2HH1 ARG 450 2HH1 ARG 450 26.778 18.740 -14.230 1050 1HH2 ARG 450 1HH2 ARG 450 24.222 17.269 -12.353 1051 2HH2 ARG 450 2HH2 ARG 450 25.896 17.705 -12.388 1052 H SER 451 H SER 451 20.086 18.852 -18.904 1053 HA SER 451 HA SER 451 18.387 19.016 -20.409 1054 1HB SER 451 2HB SER 451 17.226 18.776 -17.991 1055 2HB SER 451 1HB SER 451 16.560 20.336 -18.478 1056 HG SER 451 HG SER 451 16.475 18.000 -20.085 1057 H GLU 452 H GLU 452 17.061 20.492 -21.681 1058 HA GLU 452 HA GLU 452 16.711 22.443 -22.795 1059 1HB GLU 452 2HB GLU 452 16.451 23.073 -20.079 1060 2HB GLU 452 1HB GLU 452 17.479 24.335 -20.743 1061 1HG GLU 452 2HG GLU 452 14.983 24.762 -20.739 1062 2HG GLU 452 1HG GLU 452 15.839 25.034 -22.258 1063 H SER 453 HN SER 453 19.325 23.374 -20.558 1064 HA SER 453 HA SER 453 21.336 23.278 -22.579 1065 1HB SER 453 2HB SER 453 19.859 25.476 -22.903 1066 2HB SER 453 1HB SER 453 20.924 26.075 -21.631 1067 HG SER 453 HG SER 453 21.717 26.440 -23.783 Start of MODEL 9 1 1H5* G 1 2H5* G 1 -16.028 -25.439 -8.218 2 2H5* G 1 1H5* G 1 -15.984 -24.886 -9.905 3 H4* G 1 H4* G 1 -17.445 -23.296 -9.184 4 H3* G 1 H3* G 1 -14.707 -22.327 -8.409 5 H2* G 1 H2* G 1 -15.504 -20.996 -6.699 6 2HO* G 1 HO2* G 1 -17.361 -20.311 -8.718 7 H1* G 1 H1* G 1 -18.330 -21.855 -6.920 8 H8 G 1 H8 G 1 -15.956 -23.836 -4.765 9 H1 G 1 H1 G 1 -18.583 -18.920 -1.661 10 1H2 G 1 1H2 G 1 -19.660 -17.613 -3.084 11 2H2 G 1 2H2 G 1 -19.731 -17.947 -4.799 12 H5T G 1 H5T G 1 -13.940 -24.674 -9.542 13 1H5* G 2 2H5* G 2 -17.972 -19.170 -9.914 14 2H5* G 2 1H5* G 2 -17.034 -18.242 -11.100 15 H4* G 2 H4* G 2 -18.251 -16.555 -10.045 16 H3* G 2 H3* G 2 -15.604 -16.898 -8.585 17 H2* G 2 H2* G 2 -16.239 -15.102 -7.164 18 2HO* G 2 HO2* G 2 -17.693 -14.373 -9.355 19 H1* G 2 H1* G 2 -18.867 -15.839 -6.844 20 H8 G 2 H8 G 2 -16.750 -18.925 -6.698 21 H1 G 2 H1 G 2 -16.508 -15.547 -1.295 22 1H2 G 2 1H2 G 2 -17.433 -13.558 -1.605 23 2H2 G 2 2H2 G 2 -18.110 -13.065 -3.142 24 1H5* G 3 2H5* G 3 -16.754 -12.822 -8.289 25 2H5* G 3 1H5* G 3 -15.441 -11.955 -9.105 26 H4* G 3 H4* G 3 -15.813 -10.936 -6.933 27 H3* G 3 H3* G 3 -13.282 -12.568 -7.285 28 H2* G 3 H2* G 3 -12.686 -12.182 -5.063 29 2HO* G 3 HO2* G 3 -14.505 -9.980 -5.019 30 H1* G 3 H1* G 3 -15.274 -11.918 -3.968 31 H8 G 3 H8 G 3 -14.518 -15.099 -5.890 32 H1 G 3 H1 G 3 -12.711 -15.323 0.221 33 1H2 G 3 1H2 G 3 -12.883 -13.327 1.139 34 2H2 G 3 2H2 G 3 -13.440 -11.928 0.253 35 1H5* A 4 2H5* A 4 -12.779 -8.392 -5.026 36 2H5* A 4 1H5* A 4 -11.284 -7.825 -5.797 37 H4* A 4 H4* A 4 -11.182 -7.616 -3.326 38 H3* A 4 H3* A 4 -9.319 -9.553 -4.743 39 H2* A 4 H2* A 4 -8.366 -10.139 -2.684 40 2HO* A 4 HO2* A 4 -9.415 -7.656 -1.745 41 H1* A 4 H1* A 4 -10.650 -9.774 -1.071 42 H8 A 4 H8 A 4 -10.747 -12.015 -4.182 43 1H6 A 4 1H6 A 4 -9.260 -16.638 -0.390 44 2H6 A 4 2H6 A 4 -9.722 -16.222 -2.026 45 H2 A 4 H2 A 4 -9.121 -12.813 1.948 46 1H5* U 5 2H5* U 5 -7.494 -6.318 -1.582 47 2H5* U 5 1H5* U 5 -5.875 -6.080 -2.269 48 H4* U 5 H4* U 5 -5.893 -6.493 0.221 49 H3* U 5 H3* U 5 -4.403 -8.285 -1.720 50 H2* U 5 H2* U 5 -3.640 -9.613 0.095 51 2HO* U 5 HO2* U 5 -4.533 -8.480 2.293 52 H1* U 5 H1* U 5 -5.950 -9.634 1.559 53 H3 U 5 H3 U 5 -5.627 -13.879 0.084 54 H5 U 5 H5 U 5 -6.552 -11.685 -3.392 55 H6 U 5 H6 U 5 -6.336 -9.651 -2.088 56 1H5* A 6 2H5* A 6 -1.909 -7.794 1.940 57 2H5* A 6 1H5* A 6 -0.263 -7.674 1.293 58 H4* A 6 H4* A 6 -0.755 -9.598 2.945 59 H3* A 6 H3* A 6 0.637 -9.787 0.274 60 H2* A 6 H2* A 6 0.627 -12.104 0.304 61 2HO* A 6 HO2* A 6 1.288 -13.163 2.038 62 H1* A 6 H1* A 6 -1.464 -12.505 2.246 63 H8 A 6 H8 A 6 -2.440 -10.966 -1.055 64 1H6 A 6 1H6 A 6 -3.160 -16.702 -3.199 65 2H6 A 6 2H6 A 6 -3.414 -15.004 -3.537 66 H2 A 6 H2 A 6 -1.211 -16.953 0.841 67 1H5* C 7 2H5* C 7 2.652 -12.378 3.687 68 2H5* C 7 1H5* C 7 4.343 -11.874 3.484 69 H4* C 7 H4* C 7 4.300 -14.287 3.667 70 H3* C 7 H3* C 7 4.844 -13.133 0.920 71 H2* C 7 H2* C 7 4.953 -15.281 -0.014 72 2HO* C 7 HO2* C 7 4.815 -16.728 2.359 73 H1* C 7 H1* C 7 2.973 -16.500 1.443 74 1H4 C 7 1H4 C 7 0.378 -15.018 -4.157 75 2H4 C 7 2H4 C 7 0.548 -13.306 -3.842 76 H5 C 7 H5 C 7 1.585 -12.428 -1.849 77 H6 C 7 H6 C 7 2.677 -13.002 0.268 78 1H5* C 8 2H5* C 8 7.749 -16.757 1.936 79 2H5* C 8 1H5* C 8 9.280 -16.031 1.410 80 H4* C 8 H4* C 8 9.086 -18.276 0.473 81 H3* C 8 H3* C 8 8.783 -15.963 -1.481 82 H2* C 8 H2* C 8 8.619 -17.550 -3.248 83 2HO* C 8 HO2* C 8 10.036 -19.104 -1.474 84 H1* C 8 H1* C 8 6.976 -19.318 -1.972 85 1H4 C 8 1H4 C 8 3.032 -15.567 -5.235 86 2H4 C 8 2H4 C 8 3.373 -14.216 -4.177 87 H5 C 8 H5 C 8 4.983 -14.312 -2.390 88 H6 C 8 H6 C 8 6.613 -15.725 -1.231 89 1H5* A 9 2H5* A 9 12.071 -18.260 -3.548 90 2H5* A 9 1H5* A 9 12.843 -16.963 -4.480 91 H4* A 9 H4* A 9 11.580 -18.832 -5.777 92 H3* A 9 H3* A 9 11.292 -15.838 -6.210 93 H2* A 9 H2* A 9 9.707 -16.238 -7.881 94 2HO* A 9 HO2* A 9 11.172 -17.724 -8.985 95 H1* A 9 H1* A 9 8.702 -18.700 -6.882 96 H8 A 9 H8 A 9 8.445 -15.803 -4.477 97 1H6 A 9 1H6 A 9 3.195 -14.239 -7.294 98 2H6 A 9 2H6 A 9 4.233 -13.930 -5.920 99 H2 A 9 H2 A 9 5.161 -17.479 -9.716 100 1H5* U 10 2H5* U 10 12.385 -18.354 -10.230 101 2H5* U 10 1H5* U 10 13.299 -17.119 -11.122 102 H4* U 10 H4* U 10 11.425 -18.263 -12.420 103 H3* U 10 H3* U 10 11.733 -15.273 -12.082 104 H2* U 10 H2* U 10 9.736 -14.873 -13.284 105 2HO* U 10 HO2* U 10 9.428 -17.614 -13.926 106 H1* U 10 H1* U 10 8.194 -16.800 -12.177 107 H3 U 10 H3 U 10 6.732 -12.933 -10.325 108 H5 U 10 H5 U 10 10.364 -13.701 -8.348 109 H6 U 10 H6 U 10 10.733 -15.551 -9.872 110 1H5* G 11 2H5* G 11 10.450 -16.537 -16.132 111 2H5* G 11 1H5* G 11 11.038 -15.377 -17.340 112 H4* G 11 H4* G 11 8.472 -15.783 -17.159 113 H3* G 11 H3* G 11 9.846 -13.070 -17.249 114 H2* G 11 H2* G 11 7.747 -12.025 -17.114 115 2HO* G 11 HO2* G 11 5.812 -13.164 -17.677 116 H1* G 11 H1* G 11 6.432 -14.022 -15.603 117 H8 G 11 H8 G 11 9.540 -12.819 -13.900 118 H1 G 11 H1 G 11 4.667 -8.761 -13.245 119 1H2 G 11 1H2 G 11 3.021 -9.331 -14.616 120 2H2 G 11 2H2 G 11 3.126 -10.707 -15.689 121 1H5* U 12 2H5* U 12 6.389 -14.273 -20.016 122 2H5* U 12 1H5* U 12 6.319 -13.264 -21.474 123 H4* U 12 H4* U 12 4.165 -13.504 -20.045 124 H3* U 12 H3* U 12 5.361 -10.955 -21.151 125 H2* U 12 H2* U 12 3.723 -9.644 -20.069 126 2HO* U 12 HO2* U 12 2.226 -11.856 -19.182 127 H1* U 12 H1* U 12 3.557 -11.003 -17.709 128 H3 U 12 H3 U 12 5.457 -6.989 -16.766 129 H5 U 12 H5 U 12 8.598 -9.312 -18.345 130 H6 U 12 H6 U 12 6.966 -11.013 -18.923 131 1H5* U 13 2H5* U 13 0.792 -11.002 -20.866 132 2H5* U 13 1H5* U 13 0.260 -10.222 -22.370 133 H4* U 13 H4* U 13 -0.595 -9.206 -20.159 134 H3* U 13 H3* U 13 0.743 -7.702 -22.418 135 H2* U 13 H2* U 13 0.787 -5.745 -21.185 136 2HO* U 13 HO2* U 13 -0.975 -5.974 -19.237 137 H1* U 13 H1* U 13 0.560 -6.890 -18.561 138 H3 U 13 H3 U 13 3.758 -3.720 -18.095 139 H5 U 13 H5 U 13 5.443 -6.465 -20.814 140 H6 U 13 H6 U 13 3.342 -7.663 -20.812 141 1H5* C 14 2H5* C 14 -3.139 -6.003 -20.665 142 2H5* C 14 1H5* C 14 -3.937 -4.963 -21.862 143 H4* C 14 H4* C 14 -3.400 -3.956 -19.526 144 H3* C 14 H3* C 14 -2.796 -2.702 -22.220 145 H2* C 14 H2* C 14 -1.729 -0.898 -21.187 146 2HO* C 14 HO2* C 14 -2.594 -1.321 -18.588 147 H1* C 14 H1* C 14 -0.864 -2.217 -18.827 148 1H4 C 14 1H4 C 14 4.273 -0.589 -22.239 149 2H4 C 14 2H4 C 14 4.027 -1.972 -23.278 150 H5 C 14 H5 C 14 2.125 -3.428 -23.106 151 H6 C 14 H6 C 14 0.043 -3.877 -21.904 152 1H5* A 15 2H5* A 15 -4.179 0.450 -24.194 153 2H5* A 15 1H5* A 15 -3.076 -0.874 -23.769 154 H4* A 15 H4* A 15 -2.574 1.835 -22.575 155 H3* A 15 H3* A 15 -2.367 1.149 -25.498 156 H2* A 15 H2* A 15 -0.149 1.846 -25.661 157 2HO* A 15 HO2* A 15 0.431 3.676 -24.772 158 H1* A 15 H1* A 15 0.730 1.354 -23.049 159 H8 A 15 H8 A 15 -0.779 -1.786 -24.303 160 1H6 A 15 1H6 A 15 4.363 -2.815 -27.523 161 2H6 A 15 2H6 A 15 2.863 -3.511 -26.952 162 H2 A 15 H2 A 15 4.484 1.422 -26.021 163 1H5* G 16 2H5* G 16 -1.085 4.344 -25.553 164 2H5* G 16 1H5* G 16 -1.395 5.625 -26.742 165 H4* G 16 H4* G 16 0.768 4.712 -27.243 166 H3* G 16 H3* G 16 -1.457 4.382 -29.104 167 H2* G 16 H2* G 16 -1.094 2.127 -29.541 168 2HO* G 16 HO2* G 16 0.853 3.582 -30.814 169 H1* G 16 H1* G 16 1.720 2.217 -28.462 170 H8 G 16 H8 G 16 2.326 -0.287 -28.442 171 H1 G 16 H1 G 16 -3.706 -2.156 -27.556 172 1H2 G 16 1H2 G 16 -5.034 -0.379 -27.417 173 2H2 G 16 2H2 G 16 -4.429 1.257 -27.541 174 1H5* A 17 2H5* A 17 4.634 6.296 -28.976 175 2H5* A 17 1H5* A 17 3.734 5.945 -27.486 176 H4* A 17 H4* A 17 4.267 8.601 -28.812 177 H3* A 17 H3* A 17 5.338 7.326 -26.562 178 H2* A 17 H2* A 17 3.410 7.475 -25.188 179 2HO* A 17 HO2* A 17 4.789 9.957 -25.059 180 H1* A 17 H1* A 17 2.697 10.159 -26.381 181 H8 A 17 H8 A 17 1.031 6.681 -25.906 182 1H6 A 17 1H6 A 17 -3.363 9.718 -22.844 183 2H6 A 17 2H6 A 17 -2.841 8.155 -23.429 184 H2 A 17 H2 A 17 -0.224 12.687 -24.089 185 1H5* A 18 2H5* A 18 9.217 9.104 -24.496 186 2H5* A 18 1H5* A 18 8.099 7.828 -25.018 187 H4* A 18 H4* A 18 7.816 9.727 -22.667 188 H3* A 18 H3* A 18 8.168 6.746 -23.054 189 H2* A 18 H2* A 18 6.691 6.280 -21.269 190 2HO* A 18 HO2* A 18 7.756 8.142 -20.031 191 H1* A 18 H1* A 18 4.818 8.218 -21.756 192 H8 A 18 H8 A 18 6.581 6.070 -24.471 193 1H6 A 18 1H6 A 18 1.401 2.744 -24.540 194 2H6 A 18 2H6 A 18 2.985 2.946 -25.253 195 H2 A 18 H2 A 18 0.964 5.944 -21.413 196 1H5* G 19 2H5* G 19 9.699 8.152 -19.272 197 2H5* G 19 1H5* G 19 10.662 7.105 -18.211 198 H4* G 19 H4* G 19 8.196 7.332 -17.597 199 H3* G 19 H3* G 19 9.575 4.677 -18.102 200 H2* G 19 H2* G 19 7.566 3.534 -17.728 201 2HO* G 19 HO2* G 19 6.006 4.270 -16.363 202 H1* G 19 H1* G 19 5.785 5.528 -18.632 203 H8 G 19 H8 G 19 8.495 4.539 -21.087 204 H1 G 19 H1 G 19 3.524 0.547 -21.102 205 1H2 G 19 1H2 G 19 2.163 1.022 -19.420 206 2H2 G 19 2H2 G 19 2.479 2.323 -18.294 207 1H5* A 20 2H5* A 20 7.159 5.799 -14.435 208 2H5* A 20 1H5* A 20 7.774 5.029 -12.959 209 H4* A 20 H4* A 20 5.286 5.065 -13.048 210 H3* A 20 H3* A 20 6.838 2.466 -13.002 211 H2* A 20 H2* A 20 4.819 1.216 -13.103 212 2HO* A 20 HO2* A 20 2.841 2.082 -12.628 213 H1* A 20 H1* A 20 3.572 2.648 -15.020 214 H8 A 20 H8 A 20 7.302 2.615 -15.691 215 1H6 A 20 1H6 A 20 6.472 -2.784 -18.526 216 2H6 A 20 2H6 A 20 7.606 -1.494 -18.199 217 H2 A 20 H2 A 20 2.630 -1.693 -16.462 218 1H5* A 21 2H5* A 21 3.357 2.314 -10.836 219 2H5* A 21 1H5* A 21 3.358 1.176 -9.475 220 H4* A 21 H4* A 21 1.770 0.694 -11.473 221 H3* A 21 H3* A 21 3.640 -1.244 -10.094 222 H2* A 21 H2* A 21 3.188 -2.906 -11.647 223 2HO* A 21 HO2* A 21 1.193 -3.276 -12.381 224 H1* A 21 H1* A 21 2.369 -1.262 -13.829 225 H8 A 21 H8 A 21 5.900 -0.618 -12.834 226 1H6 A 21 1H6 A 21 7.538 -5.645 -16.006 227 2H6 A 21 2H6 A 21 8.122 -4.224 -15.169 228 H2 A 21 H2 A 21 3.056 -5.581 -15.709 229 1H5* C 22 2H5* C 22 -0.890 -2.358 -10.975 230 2H5* C 22 1H5* C 22 -1.358 -3.535 -9.733 231 H4* C 22 H4* C 22 -2.004 -4.187 -12.084 232 H3* C 22 H3* C 22 -0.220 -5.901 -10.327 233 H2* C 22 H2* C 22 -0.114 -7.542 -12.057 234 2HO* C 22 HO2* C 22 -1.820 -6.068 -13.760 235 H1* C 22 H1* C 22 0.426 -5.850 -14.082 236 1H4 C 22 1H4 C 22 6.021 -7.384 -11.416 237 2H4 C 22 2H4 C 22 5.830 -6.088 -10.258 238 H5 C 22 H5 C 22 3.844 -4.743 -10.100 239 H6 C 22 H6 C 22 1.607 -4.347 -11.014 240 1H5* G 23 2H5* G 23 -2.854 -8.141 -12.929 241 2H5* G 23 1H5* G 23 -3.477 -9.520 -12.006 242 H4* G 23 H4* G 23 -2.232 -10.005 -14.230 243 H3* G 23 H3* G 23 -1.711 -11.358 -11.559 244 H2* G 23 H2* G 23 -0.054 -12.665 -12.563 245 2HO* G 23 HO2* G 23 -0.195 -12.291 -15.160 246 H1* G 23 H1* G 23 0.816 -10.817 -14.473 247 H8 G 23 H8 G 23 1.037 -9.171 -11.187 248 H1 G 23 H1 G 23 5.404 -13.787 -11.800 249 1H2 G 23 1H2 G 23 4.935 -15.034 -13.561 250 2H2 G 23 2H2 G 23 3.550 -14.734 -14.585 251 1H5* U 24 2H5* U 24 -1.553 -14.108 -15.314 252 2H5* U 24 1H5* U 24 -2.698 -15.364 -14.804 253 H4* U 24 H4* U 24 -0.649 -16.357 -15.762 254 H3* U 24 H3* U 24 -1.239 -16.760 -12.809 255 H2* U 24 H2* U 24 0.710 -18.146 -12.655 256 2HO* U 24 HO2* U 24 1.659 -17.971 -15.194 257 H1* U 24 H1* U 24 2.383 -16.482 -13.944 258 H3 U 24 H3 U 24 3.363 -15.736 -9.602 259 H5 U 24 H5 U 24 -0.317 -13.760 -10.165 260 H6 U 24 H6 U 24 -0.420 -14.731 -12.389 261 1H5* G 25 2H5* G 25 -0.135 -19.971 -13.889 262 2H5* G 25 1H5* G 25 -1.179 -21.402 -13.989 263 H4* G 25 H4* G 25 0.536 -22.317 -12.766 264 H3* G 25 H3* G 25 -1.249 -20.920 -10.731 265 H2* G 25 H2* G 25 0.234 -21.718 -9.038 266 2HO* G 25 HO2* G 25 2.020 -23.094 -10.582 267 H1* G 25 H1* G 25 2.555 -21.159 -10.375 268 H8 G 25 H8 G 25 -0.201 -18.533 -10.773 269 H1 G 25 H1 G 25 3.499 -17.667 -5.658 270 1H2 G 25 1H2 G 25 4.835 -19.417 -5.382 271 2H2 G 25 2H2 G 25 4.812 -20.795 -6.459 272 1H5* G 26 2H5* G 26 -1.209 -25.131 -9.035 273 2H5* G 26 1H5* G 26 -2.741 -25.163 -8.141 274 H4* G 26 H4* G 26 -0.521 -25.326 -6.792 275 H3* G 26 H3* G 26 -2.907 -23.554 -6.214 276 H2* G 26 H2* G 26 -1.780 -22.488 -4.484 277 2HO* G 26 HO2* G 26 0.290 -24.008 -3.845 278 H1* G 26 H1* G 26 0.900 -23.011 -5.338 279 H8 G 26 H8 G 26 -1.163 -20.899 -7.673 280 H1 G 26 H1 G 26 1.291 -17.544 -2.838 281 1H2 G 26 1H2 G 26 2.157 -18.913 -1.327 282 2H2 G 26 2H2 G 26 2.135 -20.651 -1.512 283 1H5* U 27 2H5* U 27 -0.978 -25.693 -2.706 284 2H5* U 27 1H5* U 27 -2.311 -26.545 -1.901 285 H4* U 27 H4* U 27 -0.979 -25.638 -0.145 286 H3* U 27 H3* U 27 -3.487 -24.035 -0.738 287 H2* U 27 H2* U 27 -2.915 -22.512 0.992 288 2HO* U 27 HO2* U 27 -0.636 -23.472 1.993 289 H1* U 27 H1* U 27 -0.265 -22.287 0.425 290 H3 U 27 H3 U 27 -1.952 -18.363 -1.027 291 H5 U 27 H5 U 27 -3.394 -21.162 -3.829 292 H6 U 27 H6 U 27 -2.446 -22.926 -2.455 293 1H5* A 28 2H5* A 28 -2.528 -23.603 3.218 294 2H5* A 28 1H5* A 28 -3.861 -24.261 4.185 295 H4* A 28 H4* A 28 -3.330 -22.071 5.052 296 H3* A 28 H3* A 28 -5.894 -22.333 3.467 297 H2* A 28 H2* A 28 -6.300 -20.048 3.633 298 2HO* A 28 HO2* A 28 -5.445 -18.784 5.337 299 H1* A 28 H1* A 28 -3.652 -19.132 3.842 300 H8 A 28 H8 A 28 -4.660 -21.256 0.834 301 1H6 A 28 1H6 A 28 -5.968 -15.934 -1.987 302 2H6 A 28 2H6 A 28 -5.814 -17.664 -2.193 303 H2 A 28 H2 A 28 -5.040 -15.038 2.319 304 1H5* U 29 2H5* U 29 -5.526 -20.010 7.480 305 2H5* U 29 1H5* U 29 -6.957 -20.476 8.420 306 H4* U 29 H4* U 29 -6.570 -18.112 8.765 307 H3* U 29 H3* U 29 -8.916 -18.809 6.961 308 H2* U 29 H2* U 29 -9.429 -16.479 6.827 309 2HO* U 29 HO2* U 29 -7.526 -16.196 8.943 310 H1* U 29 H1* U 29 -6.886 -15.610 6.407 311 H3 U 29 H3 U 29 -8.858 -15.295 2.325 312 H5 U 29 H5 U 29 -8.143 -19.415 2.816 313 H6 U 29 H6 U 29 -7.463 -18.963 5.103 314 1H5* C 30 2H5* C 30 -9.823 -15.583 9.082 315 2H5* C 30 1H5* C 30 -11.510 -15.563 9.627 316 H4* C 30 H4* C 30 -10.902 -13.691 8.045 317 H3* C 30 H3* C 30 -13.070 -15.710 7.331 318 H2* C 30 H2* C 30 -13.536 -14.390 5.421 319 2HO* C 30 HO2* C 30 -12.342 -12.362 6.975 320 H1* C 30 H1* C 30 -10.894 -13.590 4.933 321 1H4 C 30 1H4 C 30 -12.363 -17.842 0.436 322 2H4 C 30 2H4 C 30 -11.919 -19.138 1.523 323 H5 C 30 H5 C 30 -11.336 -18.786 3.828 324 H6 C 30 H6 C 30 -11.062 -17.121 5.598 325 1H5* U 31 2H5* U 31 -14.227 -12.066 5.926 326 2H5* U 31 1H5* U 31 -15.764 -11.668 6.713 327 H4* U 31 H4* U 31 -16.181 -11.413 4.389 328 H3* U 31 H3* U 31 -17.169 -14.044 5.527 329 H2* U 31 H2* U 31 -17.787 -14.779 3.416 330 2HO* U 31 HO2* U 31 -18.135 -12.999 1.729 331 H1* U 31 H1* U 31 -16.060 -13.077 1.880 332 H3 U 31 H3 U 31 -15.388 -17.031 -0.147 333 H5 U 31 H5 U 31 -14.305 -17.794 3.848 334 H6 U 31 H6 U 31 -15.005 -15.539 4.405 335 1H5* C 32 2H5* C 32 -20.300 -11.615 3.030 336 2H5* C 32 1H5* C 32 -21.871 -11.994 3.764 337 H4* C 32 H4* C 32 -21.954 -12.294 1.320 338 H3* C 32 H3* C 32 -22.090 -14.781 3.055 339 H2* C 32 H2* C 32 -22.428 -16.080 1.138 340 2HO* C 32 HO2* C 32 -22.699 -13.918 -0.627 341 H1* C 32 H1* C 32 -20.754 -14.605 -0.552 342 1H4 C 32 1H4 C 32 -17.458 -19.836 0.893 343 2H4 C 32 2H4 C 32 -17.342 -19.356 2.571 344 H5 C 32 H5 C 32 -18.396 -17.377 3.455 345 H6 C 32 H6 C 32 -19.787 -15.432 2.919 346 H3T C 32 H3T C 32 -24.114 -13.541 1.490 347 1H GLY 364 1HT GLY 364 -12.259 10.371 -19.002 348 2H GLY 364 2HT GLY 364 -10.721 10.849 -19.519 349 3H GLY 364 3HT GLY 364 -11.190 11.105 -17.914 350 1HA GLY 364 1HA GLY 364 -11.200 8.788 -17.439 351 2HA GLY 364 2HA GLY 364 -10.952 8.416 -19.138 352 H SER 365 H SER 365 -9.433 8.282 -16.342 353 HA SER 365 HA SER 365 -6.807 8.778 -17.565 354 1HB SER 365 2HB SER 365 -7.756 9.679 -14.846 355 2HB SER 365 1HB SER 365 -6.044 9.513 -15.233 356 HG SER 365 HG SER 365 -7.541 11.583 -15.699 357 H LEU 366 H LEU 366 -6.988 6.428 -17.922 358 HA LEU 366 HA LEU 366 -7.137 4.607 -15.781 359 1HB LEU 366 2HB LEU 366 -5.809 3.154 -17.582 360 2HB LEU 366 1HB LEU 366 -7.536 3.443 -17.669 361 HG LEU 366 HG LEU 366 -5.719 5.355 -19.051 362 1HD1 LEU 366 1HD1 LEU 366 -6.495 2.686 -20.214 363 2HD1 LEU 366 2HD1 LEU 366 -4.879 3.105 -19.645 364 3HD1 LEU 366 3HD1 LEU 366 -5.584 3.969 -21.011 365 1HD2 LEU 366 1HD2 LEU 366 -8.336 5.346 -18.791 366 2HD2 LEU 366 2HD2 LEU 366 -8.240 4.221 -20.147 367 3HD2 LEU 366 3HD2 LEU 366 -7.571 5.845 -20.301 368 H ASP 367 H ASP 367 -5.231 2.955 -15.545 369 HA ASP 367 HA ASP 367 -3.239 4.109 -14.038 370 1HB ASP 367 2HB ASP 367 -1.906 1.941 -14.872 371 2HB ASP 367 1HB ASP 367 -3.244 1.831 -13.733 372 H MET 368 H MET 368 -2.639 2.701 -17.232 373 HA MET 368 HA MET 368 -0.224 3.660 -17.862 374 1HB MET 368 2HB MET 368 -1.708 2.338 -19.383 375 2HB MET 368 1HB MET 368 -2.549 3.828 -19.788 376 1HG MET 368 2HG MET 368 0.165 4.364 -20.186 377 2HG MET 368 1HG MET 368 -0.110 2.754 -20.852 378 1HE MET 368 1HE MET 368 -2.446 6.515 -22.147 379 2HE MET 368 2HE MET 368 -0.983 6.608 -21.167 380 3HE MET 368 3HE MET 368 -2.438 5.858 -20.510 381 H ASN 369 H ASN 369 -3.228 5.573 -18.017 382 HA ASN 369 HA ASN 369 -2.036 7.914 -19.053 383 1HB ASN 369 2HB ASN 369 -4.608 7.197 -17.802 384 2HB ASN 369 1HB ASN 369 -4.133 8.883 -17.621 385 1HD2 ASN 369 1HD2 ASN 369 -6.074 7.146 -19.348 386 2HD2 ASN 369 2HD2 ASN 369 -5.918 7.860 -20.908 387 H ALA 370 H ALA 370 -2.648 6.821 -15.744 388 HA ALA 370 HA ALA 370 -1.719 9.167 -14.466 389 1HB ALA 370 1HB ALA 370 -1.251 6.889 -12.812 390 2HB ALA 370 2HB ALA 370 -2.789 6.683 -13.652 391 3HB ALA 370 3HB ALA 370 -2.503 8.123 -12.673 392 H LYS 371 H LYS 371 -0.123 5.988 -14.271 393 HA LYS 371 HA LYS 371 2.332 6.614 -13.453 394 1HB LYS 371 2HB LYS 371 2.002 4.867 -15.891 395 2HB LYS 371 1HB LYS 371 3.217 4.734 -14.627 396 1HG LYS 371 2HG LYS 371 1.924 3.215 -13.668 397 2HG LYS 371 1HG LYS 371 0.782 4.509 -13.299 398 1HD LYS 371 2HD LYS 371 -0.663 3.278 -14.501 399 2HD LYS 371 1HD LYS 371 0.168 3.971 -15.895 400 1HE LYS 371 2HE LYS 371 0.020 1.596 -16.197 401 2HE LYS 371 1HE LYS 371 1.702 2.018 -15.881 402 1HZ LYS 371 1HZ LYS 371 0.966 0.045 -14.652 403 2HZ LYS 371 2HZ LYS 371 -0.193 0.976 -13.844 404 3HZ LYS 371 3HZ LYS 371 1.454 1.291 -13.615 405 H ARG 372 H ARG 372 1.243 7.004 -16.803 406 HA ARG 372 HA ARG 372 3.637 7.983 -17.876 407 1HB ARG 372 2HB ARG 372 1.459 7.232 -19.053 408 2HB ARG 372 1HB ARG 372 0.927 8.890 -18.814 409 1HG ARG 372 2HG ARG 372 3.035 9.605 -20.008 410 2HG ARG 372 1HG ARG 372 3.255 7.908 -20.440 411 1HD ARG 372 2HD ARG 372 2.020 8.405 -22.240 412 2HD ARG 372 1HD ARG 372 0.651 8.330 -21.132 413 HE ARG 372 HE ARG 372 0.453 10.616 -21.256 414 1HH1 ARG 372 1HH1 ARG 372 3.470 9.619 -22.685 415 2HH1 ARG 372 2HH1 ARG 372 3.808 11.174 -23.368 416 1HH2 ARG 372 1HH2 ARG 372 0.889 12.667 -22.156 417 2HH2 ARG 372 2HH2 ARG 372 2.344 12.907 -23.067 418 H GLN 373 H GLN 373 0.862 9.701 -16.478 419 HA GLN 373 HA GLN 373 1.744 12.302 -16.966 420 1HB GLN 373 2HB GLN 373 -0.525 11.330 -15.993 421 2HB GLN 373 1HB GLN 373 0.230 11.743 -14.457 422 1HG GLN 373 2HG GLN 373 -0.062 13.683 -16.737 423 2HG GLN 373 1HG GLN 373 -1.251 13.505 -15.448 424 1HE2 GLN 373 1HE2 GLN 373 0.406 13.149 -13.270 425 2HE2 GLN 373 2HE2 GLN 373 1.308 14.594 -12.992 426 H LEU 374 H LEU 374 2.066 10.383 -14.000 427 HA LEU 374 HA LEU 374 3.446 12.240 -12.478 428 1HB LEU 374 2HB LEU 374 4.215 9.405 -12.137 429 2HB LEU 374 1HB LEU 374 3.727 10.591 -10.942 430 HG LEU 374 HG LEU 374 1.971 8.913 -12.714 431 1HD1 LEU 374 1HD1 LEU 374 2.927 8.594 -10.127 432 2HD1 LEU 374 2HD1 LEU 374 1.593 7.721 -10.879 433 3HD1 LEU 374 3HD1 LEU 374 1.274 9.168 -9.925 434 1HD2 LEU 374 1HD2 LEU 374 0.458 10.532 -12.799 435 2HD2 LEU 374 2HD2 LEU 374 1.509 11.607 -11.874 436 3HD2 LEU 374 3HD2 LEU 374 0.389 10.530 -11.036 437 H TYR 375 H TYR 375 4.967 9.426 -14.062 438 HA TYR 375 HA TYR 375 7.568 10.544 -13.694 439 1HB TYR 375 2HB TYR 375 6.480 8.034 -14.870 440 2HB TYR 375 1HB TYR 375 8.142 8.488 -15.230 441 HD1 TYR 375 HD1 TYR 375 9.530 7.102 -14.007 442 HD2 TYR 375 HD2 TYR 375 6.124 8.793 -12.095 443 HE1 TYR 375 HE1 TYR 375 10.264 6.145 -11.863 444 HE2 TYR 375 HE2 TYR 375 6.848 7.840 -9.949 445 HH TYR 375 HH TYR 375 8.709 5.488 -9.513 446 H SER 376 H SER 376 5.679 9.802 -16.636 447 HA SER 376 HA SER 376 7.626 10.865 -18.389 448 1HB SER 376 2HB SER 376 5.607 9.239 -18.829 449 2HB SER 376 1HB SER 376 4.752 10.739 -19.194 450 HG SER 376 HG SER 376 6.927 11.027 -20.484 451 H LEU 377 H LEU 377 4.945 12.374 -16.704 452 HA LEU 377 HA LEU 377 5.348 14.808 -18.288 453 1HB LEU 377 2HB LEU 377 3.063 13.554 -17.167 454 2HB LEU 377 1HB LEU 377 3.246 15.120 -16.401 455 HG LEU 377 HG LEU 377 3.384 16.119 -18.711 456 1HD1 LEU 377 1HD1 LEU 377 3.956 14.298 -20.079 457 2HD1 LEU 377 2HD1 LEU 377 2.281 14.674 -20.483 458 3HD1 LEU 377 3HD1 LEU 377 2.649 13.302 -19.438 459 1HD2 LEU 377 1HD2 LEU 377 0.830 14.668 -18.042 460 2HD2 LEU 377 2HD2 LEU 377 0.989 16.112 -19.043 461 3HD2 LEU 377 3HD2 LEU 377 1.354 16.189 -17.318 462 H ILE 378 H ILE 378 5.512 13.626 -14.958 463 HA ILE 378 HA ILE 378 6.894 16.130 -14.276 464 HB ILE 378 HB ILE 378 5.011 14.838 -12.325 465 1HG1 ILE 378 2HG1 ILE 378 3.754 15.437 -14.373 466 2HG1 ILE 378 1HG1 ILE 378 3.293 16.428 -12.993 467 1HG2 ILE 378 1HG2 ILE 378 5.335 17.701 -12.190 468 2HG2 ILE 378 2HG2 ILE 378 6.899 16.887 -12.146 469 3HG2 ILE 378 3HG2 ILE 378 5.657 16.476 -10.964 470 1HD1 ILE 378 1HD1 ILE 378 3.950 18.311 -13.989 471 2HD1 ILE 378 2HD1 ILE 378 3.916 17.362 -15.474 472 3HD1 ILE 378 3HD1 ILE 378 5.435 17.583 -14.603 473 H GLY 379 H GLY 379 8.069 13.607 -14.895 474 1HA GLY 379 2HA GLY 379 9.171 12.904 -12.242 475 2HA GLY 379 1HA GLY 379 8.950 11.724 -13.521 476 H TYR 380 H TYR 380 10.771 14.599 -12.576 477 HA TYR 380 HA TYR 380 12.801 13.909 -14.586 478 1HB TYR 380 2HB TYR 380 13.698 16.183 -14.192 479 2HB TYR 380 1HB TYR 380 12.033 16.193 -14.763 480 HD1 TYR 380 HD1 TYR 380 10.317 17.184 -13.491 481 HD2 TYR 380 HD2 TYR 380 14.156 16.605 -11.754 482 HE1 TYR 380 HE1 TYR 380 9.664 18.598 -11.590 483 HE2 TYR 380 HE2 TYR 380 13.512 18.015 -9.845 484 HH TYR 380 HH TYR 380 10.974 18.630 -8.784 485 H ALA 381 H ALA 381 15.098 14.578 -13.792 486 HA ALA 381 HA ALA 381 15.647 12.925 -11.502 487 1HB ALA 381 1HB ALA 381 17.852 12.923 -12.165 488 2HB ALA 381 2HB ALA 381 17.756 14.537 -12.869 489 3HB ALA 381 3HB ALA 381 17.021 13.166 -13.701 490 H SER 382 H SER 382 14.609 14.181 -9.857 491 HA SER 382 HA SER 382 16.166 15.545 -8.152 492 1HB SER 382 2HB SER 382 15.391 17.298 -10.400 493 2HB SER 382 1HB SER 382 15.172 17.993 -8.794 494 HG SER 382 HG SER 382 17.522 17.176 -10.084 495 H LEU 383 H LEU 383 13.009 15.430 -9.645 496 HA LEU 383 HA LEU 383 11.462 16.665 -7.702 497 1HB LEU 383 2HB LEU 383 10.912 15.405 -10.016 498 2HB LEU 383 1HB LEU 383 10.386 14.172 -8.887 499 HG LEU 383 HG LEU 383 9.326 16.707 -8.066 500 1HD1 LEU 383 1HD1 LEU 383 8.997 17.716 -10.027 501 2HD1 LEU 383 2HD1 LEU 383 7.769 16.482 -10.312 502 3HD1 LEU 383 3HD1 LEU 383 9.401 16.264 -10.944 503 1HD2 LEU 383 1HD2 LEU 383 7.541 15.435 -7.621 504 2HD2 LEU 383 2HD2 LEU 383 8.592 14.078 -8.028 505 3HD2 LEU 383 3HD2 LEU 383 7.505 14.749 -9.244 506 H ARG 384 H ARG 384 12.265 13.204 -7.959 507 HA ARG 384 HA ARG 384 12.648 11.642 -6.337 508 1HB ARG 384 2HB ARG 384 13.637 13.639 -5.074 509 2HB ARG 384 1HB ARG 384 12.095 13.725 -4.235 510 1HG ARG 384 2HG ARG 384 12.987 12.325 -2.760 511 2HG ARG 384 1HG ARG 384 12.777 11.076 -3.988 512 1HD ARG 384 2HD ARG 384 15.049 11.655 -4.852 513 2HD ARG 384 1HD ARG 384 15.241 12.730 -3.469 514 HE ARG 384 HE ARG 384 14.572 10.316 -2.379 515 1HH1 ARG 384 1HH1 ARG 384 17.080 11.446 -4.520 516 2HH1 ARG 384 2HH1 ARG 384 18.240 10.276 -3.987 517 1HH2 ARG 384 1HH2 ARG 384 16.092 8.769 -1.677 518 2HH2 ARG 384 2HH2 ARG 384 17.678 8.753 -2.373 519 H LEU 385 H LEU 385 10.162 11.772 -7.514 520 HA LEU 385 HA LEU 385 7.890 12.066 -6.106 521 1HB LEU 385 2HB LEU 385 8.747 10.281 -8.229 522 2HB LEU 385 1HB LEU 385 7.517 9.546 -7.216 523 HG LEU 385 HG LEU 385 7.223 12.233 -8.560 524 1HD1 LEU 385 1HD1 LEU 385 7.353 10.490 -10.230 525 2HD1 LEU 385 2HD1 LEU 385 5.691 11.060 -10.083 526 3HD1 LEU 385 3HD1 LEU 385 6.166 9.527 -9.351 527 1HD2 LEU 385 1HD2 LEU 385 5.646 12.401 -6.956 528 2HD2 LEU 385 2HD2 LEU 385 5.596 10.660 -6.672 529 3HD2 LEU 385 3HD2 LEU 385 4.730 11.355 -8.044 530 H HIS 386 H HIS 386 6.799 11.059 -4.461 531 HA HIS 386 HA HIS 386 8.088 8.729 -3.230 532 1HB HIS 386 2HB HIS 386 8.476 11.270 -2.253 533 2HB HIS 386 1HB HIS 386 7.172 10.655 -1.242 534 HD1 HIS 386 HD1 HIS 386 10.468 11.084 -0.782 535 HD2 HIS 386 HD2 HIS 386 8.190 7.611 -0.782 536 HE1 HIS 386 HE1 HIS 386 11.789 9.413 0.548 537 HE2 HIS 386 HE2 HIS 386 10.341 7.356 0.632 538 H TYR 387 H TYR 387 6.323 7.431 -3.844 539 HA TYR 387 HA TYR 387 3.713 8.073 -2.701 540 1HB TYR 387 2HB TYR 387 4.688 5.966 -4.611 541 2HB TYR 387 1HB TYR 387 3.121 5.814 -3.817 542 HD1 TYR 387 HD1 TYR 387 1.249 6.981 -4.628 543 HD2 TYR 387 HD2 TYR 387 5.146 8.028 -5.961 544 HE1 TYR 387 HE1 TYR 387 0.261 8.485 -6.298 545 HE2 TYR 387 HE2 TYR 387 4.187 9.525 -7.631 546 HH TYR 387 HH TYR 387 2.322 10.396 -8.488 547 H VAL 388 H VAL 388 3.137 7.351 -0.761 548 HA VAL 388 HA VAL 388 4.596 5.045 0.350 549 HB VAL 388 HB VAL 388 3.241 6.580 2.382 550 1HG1 VAL 388 1HG1 VAL 388 5.176 6.234 3.558 551 2HG1 VAL 388 2HG1 VAL 388 6.206 6.442 2.140 552 3HG1 VAL 388 3HG1 VAL 388 5.304 4.943 2.362 553 1HG2 VAL 388 1HG2 VAL 388 4.447 8.651 2.280 554 2HG2 VAL 388 2HG2 VAL 388 3.592 8.434 0.752 555 3HG2 VAL 388 3HG2 VAL 388 5.328 8.125 0.845 556 H THR 389 H THR 389 3.413 3.273 0.500 557 HA THR 389 HA THR 389 0.528 3.409 0.322 558 HB THR 389 HB THR 389 2.468 1.106 0.394 559 HG1 THR 389 HG1 THR 389 2.257 1.955 -1.648 560 1HG2 THR 389 1HG2 THR 389 0.769 0.032 1.483 561 2HG2 THR 389 2HG2 THR 389 0.203 -0.160 -0.177 562 3HG2 THR 389 3HG2 THR 389 -0.471 1.111 0.843 563 H VAL 390 H VAL 390 -0.582 3.859 2.101 564 HA VAL 390 HA VAL 390 0.294 2.611 4.618 565 HB VAL 390 HB VAL 390 -0.843 4.436 5.810 566 1HG1 VAL 390 1HG1 VAL 390 1.541 4.603 5.342 567 2HG1 VAL 390 2HG1 VAL 390 0.782 6.195 5.295 568 3HG1 VAL 390 3HG1 VAL 390 1.194 5.371 3.792 569 1HG2 VAL 390 1HG2 VAL 390 -1.552 5.249 3.036 570 2HG2 VAL 390 2HG2 VAL 390 -1.261 6.509 4.235 571 3HG2 VAL 390 3HG2 VAL 390 -2.516 5.301 4.513 572 H LYS 391 H LYS 391 -1.265 1.781 6.002 573 HA LYS 391 HA LYS 391 -3.340 1.034 6.682 574 1HB LYS 391 2HB LYS 391 -4.118 2.875 4.883 575 2HB LYS 391 1HB LYS 391 -4.641 1.416 4.055 576 1HG LYS 391 2HG LYS 391 -5.533 2.490 6.703 577 2HG LYS 391 1HG LYS 391 -6.504 2.092 5.283 578 1HD LYS 391 2HD LYS 391 -6.119 -0.263 5.625 579 2HD LYS 391 1HD LYS 391 -5.001 0.075 6.949 580 1HE LYS 391 2HE LYS 391 -7.408 1.410 7.552 581 2HE LYS 391 1HE LYS 391 -7.847 -0.211 7.014 582 1HZ LYS 391 1HZ LYS 391 -5.669 0.109 8.958 583 2HZ LYS 391 2HZ LYS 391 -6.735 -1.187 8.745 584 3HZ LYS 391 3HZ LYS 391 -7.271 0.232 9.492 585 H LYS 392 H LYS 392 -1.544 -0.744 6.161 586 HA LYS 392 HA LYS 392 -1.534 -2.457 4.087 587 1HB LYS 392 2HB LYS 392 -1.240 -2.816 7.006 588 2HB LYS 392 1HB LYS 392 -1.571 -4.284 6.097 589 1HG LYS 392 2HG LYS 392 0.505 -4.370 5.311 590 2HG LYS 392 1HG LYS 392 0.470 -2.673 4.828 591 1HD LYS 392 2HD LYS 392 0.611 -2.940 7.702 592 2HD LYS 392 1HD LYS 392 1.936 -3.800 6.917 593 1HE LYS 392 2HE LYS 392 1.689 -1.344 5.575 594 2HE LYS 392 1HE LYS 392 1.568 -0.977 7.295 595 1HZ LYS 392 1HZ LYS 392 3.676 -1.755 7.700 596 2HZ LYS 392 2HZ LYS 392 3.876 -1.087 6.159 597 3HZ LYS 392 3HZ LYS 392 3.703 -2.759 6.338 598 HA PRO 393 HA PRO 393 -5.661 -3.893 3.561 599 1HB PRO 393 2HB PRO 393 -4.692 -6.322 2.315 600 2HB PRO 393 1HB PRO 393 -5.516 -4.949 1.582 601 1HG PRO 393 2HG PRO 393 -2.891 -5.528 1.128 602 2HG PRO 393 1HG PRO 393 -3.562 -3.891 1.036 603 1HD PRO 393 2HD PRO 393 -1.969 -5.172 3.215 604 2HD PRO 393 1HD PRO 393 -1.932 -3.499 2.618 605 H THR 394 H THR 394 -7.108 -5.505 4.114 606 HA THR 394 HA THR 394 -6.139 -7.507 6.052 607 HB THR 394 HB THR 394 -8.239 -7.107 7.369 608 HG1 THR 394 HG1 THR 394 -9.472 -5.336 6.943 609 1HG2 THR 394 1HG2 THR 394 -7.389 -5.218 8.562 610 2HG2 THR 394 2HG2 THR 394 -6.496 -4.658 7.147 611 3HG2 THR 394 3HG2 THR 394 -6.009 -6.140 7.968 612 H ALA 395 H ALA 395 -7.644 -9.299 6.431 613 HA ALA 395 HA ALA 395 -8.839 -10.161 3.933 614 1HB ALA 395 1HB ALA 395 -9.267 -12.014 6.076 615 2HB ALA 395 2HB ALA 395 -7.587 -11.480 6.059 616 3HB ALA 395 3HB ALA 395 -8.299 -12.199 4.614 617 H VAL 396 H VAL 396 -9.952 -8.091 5.929 618 HA VAL 396 HA VAL 396 -12.705 -9.031 5.752 619 HB VAL 396 HB VAL 396 -13.296 -8.326 7.945 620 1HG1 VAL 396 1HG1 VAL 396 -12.207 -9.905 9.270 621 2HG1 VAL 396 2HG1 VAL 396 -10.673 -9.697 8.426 622 3HG1 VAL 396 3HG1 VAL 396 -12.012 -10.527 7.633 623 1HG2 VAL 396 1HG2 VAL 396 -11.216 -7.537 9.418 624 2HG2 VAL 396 2HG2 VAL 396 -12.223 -6.405 8.514 625 3HG2 VAL 396 3HG2 VAL 396 -10.679 -6.940 7.848 626 H ASP 397 H ASP 397 -10.595 -6.984 4.688 627 HA ASP 397 HA ASP 397 -12.246 -5.117 3.582 628 1HB ASP 397 2HB ASP 397 -12.037 -4.608 6.344 629 2HB ASP 397 1HB ASP 397 -11.018 -3.404 5.558 630 HA PRO 398 HA PRO 398 -7.662 -5.678 2.421 631 1HB PRO 398 2HB PRO 398 -8.618 -5.303 -0.240 632 2HB PRO 398 1HB PRO 398 -8.003 -6.786 0.490 633 1HG PRO 398 2HG PRO 398 -10.800 -5.881 0.119 634 2HG PRO 398 1HG PRO 398 -10.151 -7.528 0.204 635 1HD PRO 398 2HD PRO 398 -11.554 -6.485 2.230 636 2HD PRO 398 1HD PRO 398 -10.152 -7.537 2.531 637 H ASN 399 H ASN 399 -10.190 -3.464 1.401 638 HA ASN 399 HA ASN 399 -9.137 -1.507 0.042 639 1HB ASN 399 2HB ASN 399 -10.439 0.151 1.328 640 2HB ASN 399 1HB ASN 399 -11.356 -1.316 0.995 641 1HD2 ASN 399 1HD2 ASN 399 -9.385 0.266 3.449 642 2HD2 ASN 399 2HD2 ASN 399 -10.206 -0.418 4.803 643 H SER 400 H SER 400 -7.349 -0.378 -0.016 644 HA SER 400 HA SER 400 -6.065 0.425 2.503 645 1HB SER 400 2HB SER 400 -4.523 -1.183 1.943 646 2HB SER 400 1HB SER 400 -4.890 -1.087 0.220 647 HG SER 400 HG SER 400 -3.382 0.365 -0.007 648 H ILE 401 H ILE 401 -4.561 2.284 2.201 649 HA ILE 401 HA ILE 401 -5.475 4.002 -0.008 650 HB ILE 401 HB ILE 401 -6.400 4.749 2.097 651 1HG1 ILE 401 2HG1 ILE 401 -5.352 6.349 0.301 652 2HG1 ILE 401 1HG1 ILE 401 -5.928 6.998 1.834 653 1HG2 ILE 401 1HG2 ILE 401 -3.610 4.429 3.028 654 2HG2 ILE 401 2HG2 ILE 401 -5.129 4.052 3.842 655 3HG2 ILE 401 3HG2 ILE 401 -4.573 5.724 3.737 656 1HD1 ILE 401 1HD1 ILE 401 -3.542 7.571 0.805 657 2HD1 ILE 401 2HD1 ILE 401 -3.111 6.146 1.744 658 3HD1 ILE 401 3HD1 ILE 401 -3.858 7.531 2.538 659 H VAL 402 H VAL 402 -3.971 5.610 -0.766 660 HA VAL 402 HA VAL 402 -1.140 4.959 -0.252 661 HB VAL 402 HB VAL 402 -1.694 6.036 -2.924 662 1HG1 VAL 402 1HG1 VAL 402 0.123 4.833 -3.493 663 2HG1 VAL 402 2HG1 VAL 402 -0.368 3.429 -2.547 664 3HG1 VAL 402 3HG1 VAL 402 0.384 4.810 -1.749 665 1HG2 VAL 402 1HG2 VAL 402 -2.398 3.653 -3.690 666 2HG2 VAL 402 2HG2 VAL 402 -3.625 4.766 -3.078 667 3HG2 VAL 402 3HG2 VAL 402 -2.992 3.489 -2.038 668 H GLU 403 H GLU 403 0.264 6.701 -0.065 669 HA GLU 403 HA GLU 403 -1.002 9.355 -0.084 670 1HB GLU 403 2HB GLU 403 1.172 8.088 1.489 671 2HB GLU 403 1HB GLU 403 1.378 9.787 1.094 672 1HG GLU 403 2HG GLU 403 -1.018 10.053 2.014 673 2HG GLU 403 1HG GLU 403 -0.732 8.482 2.758 674 H CYS 404 H CYS 404 -0.605 10.621 -1.726 675 HA CYS 404 HA CYS 404 1.662 10.075 -3.489 676 1HB CYS 404 2HB CYS 404 -0.777 10.550 -4.274 677 2HB CYS 404 1HB CYS 404 -0.392 12.233 -3.930 678 HG CYS 404 HG CYS 404 0.083 11.624 -6.461 679 H ARG 405 H ARG 405 3.424 10.847 -2.393 680 HA ARG 405 HA ARG 405 3.421 13.739 -1.876 681 1HB ARG 405 2HB ARG 405 3.316 12.785 0.273 682 2HB ARG 405 1HB ARG 405 4.441 11.503 -0.148 683 1HG ARG 405 2HG ARG 405 6.285 13.004 -0.122 684 2HG ARG 405 1HG ARG 405 5.219 14.405 0.009 685 1HD ARG 405 2HD ARG 405 6.001 14.075 2.189 686 2HD ARG 405 1HD ARG 405 4.399 13.341 2.187 687 HE ARG 405 HE ARG 405 6.234 11.348 1.552 688 1HH1 ARG 405 1HH1 ARG 405 5.463 13.425 4.237 689 2HH1 ARG 405 2HH1 ARG 405 6.004 12.296 5.433 690 1HH2 ARG 405 1HH2 ARG 405 6.941 9.848 3.122 691 2HH2 ARG 405 2HH2 ARG 405 6.843 10.263 4.800 692 H VAL 406 H VAL 406 5.587 14.708 -1.831 693 HA VAL 406 HA VAL 406 7.603 13.248 -3.376 694 HB VAL 406 HB VAL 406 7.935 15.595 -4.552 695 1HG1 VAL 406 1HG1 VAL 406 5.834 14.394 -6.006 696 2HG1 VAL 406 2HG1 VAL 406 6.708 13.110 -5.168 697 3HG1 VAL 406 3HG1 VAL 406 7.574 14.210 -6.240 698 1HG2 VAL 406 1HG2 VAL 406 5.719 16.221 -3.139 699 2HG2 VAL 406 2HG2 VAL 406 4.988 15.647 -4.637 700 3HG2 VAL 406 3HG2 VAL 406 6.148 16.975 -4.675 701 H GLY 407 H GLY 407 9.710 13.858 -2.994 702 1HA GLY 407 2HA GLY 407 11.451 14.654 -1.723 703 2HA GLY 407 1HA GLY 407 10.573 16.179 -1.708 704 H ASP 408 H ASP 408 8.792 13.574 -0.475 705 HA ASP 408 HA ASP 408 8.014 13.077 1.600 706 1HB ASP 408 2HB ASP 408 10.448 12.374 1.811 707 2HB ASP 408 1HB ASP 408 10.734 13.915 2.613 708 H GLY 409 H GLY 409 7.976 15.896 0.532 709 1HA GLY 409 2HA GLY 409 7.282 17.149 3.096 710 2HA GLY 409 1HA GLY 409 8.335 18.002 1.983 711 H THR 410 H THR 410 6.236 16.344 0.060 712 HA THR 410 HA THR 410 4.097 18.338 0.233 713 HB THR 410 HB THR 410 5.764 17.855 -2.238 714 HG1 THR 410 HG1 THR 410 6.423 19.541 -0.740 715 1HG2 THR 410 1HG2 THR 410 3.946 18.187 -3.476 716 2HG2 THR 410 2HG2 THR 410 3.816 19.798 -2.772 717 3HG2 THR 410 3HG2 THR 410 2.957 18.445 -2.039 718 H VAL 411 H VAL 411 2.232 17.263 0.265 719 HA VAL 411 HA VAL 411 2.055 14.615 -0.989 720 HB VAL 411 HB VAL 411 0.185 16.058 0.895 721 1HG1 VAL 411 1HG1 VAL 411 -0.054 13.268 -0.230 722 2HG1 VAL 411 2HG1 VAL 411 -1.037 14.649 -0.718 723 3HG1 VAL 411 3HG1 VAL 411 -1.141 14.030 0.930 724 1HG2 VAL 411 1HG2 VAL 411 2.515 14.662 1.412 725 2HG2 VAL 411 2HG2 VAL 411 1.241 13.479 1.708 726 3HG2 VAL 411 3HG2 VAL 411 1.233 15.018 2.569 727 H LEU 412 H LEU 412 1.504 14.696 -3.095 728 HA LEU 412 HA LEU 412 0.088 16.824 -4.300 729 1HB LEU 412 2HB LEU 412 0.317 13.977 -5.288 730 2HB LEU 412 1HB LEU 412 -0.109 15.379 -6.250 731 HG LEU 412 HG LEU 412 2.070 15.256 -6.845 732 1HD1 LEU 412 1HD1 LEU 412 3.253 16.949 -5.869 733 2HD1 LEU 412 2HD1 LEU 412 2.838 16.447 -4.231 734 3HD1 LEU 412 3HD1 LEU 412 1.649 17.288 -5.223 735 1HD2 LEU 412 1HD2 LEU 412 3.451 14.470 -4.440 736 2HD2 LEU 412 2HD2 LEU 412 3.412 13.688 -6.021 737 3HD2 LEU 412 3HD2 LEU 412 2.160 13.332 -4.829 738 H GLY 413 H GLY 413 -0.858 13.735 -2.905 739 1HA GLY 413 2HA GLY 413 -3.420 14.556 -2.191 740 2HA GLY 413 1HA GLY 413 -3.551 13.769 -3.758 741 H THR 414 H THR 414 -4.583 11.930 -3.202 742 HA THR 414 HA THR 414 -3.081 9.832 -2.027 743 HB THR 414 HB THR 414 -3.624 10.833 0.073 744 HG1 THR 414 HG1 THR 414 -5.665 8.911 -0.031 745 1HG2 THR 414 1HG2 THR 414 -6.014 11.609 -1.253 746 2HG2 THR 414 2HG2 THR 414 -5.407 12.124 0.322 747 3HG2 THR 414 3HG2 THR 414 -6.444 10.703 0.197 748 H GLY 415 H GLY 415 -4.486 7.806 -1.773 749 1HA GLY 415 2HA GLY 415 -6.996 7.827 -3.190 750 2HA GLY 415 1HA GLY 415 -5.684 7.078 -4.084 751 H VAL 416 H VAL 416 -8.252 6.226 -2.505 752 HA VAL 416 HA VAL 416 -6.983 3.947 -1.134 753 HB VAL 416 HB VAL 416 -8.246 5.515 0.371 754 1HG1 VAL 416 1HG1 VAL 416 -10.689 5.471 0.305 755 2HG1 VAL 416 2HG1 VAL 416 -10.635 4.491 -1.159 756 3HG1 VAL 416 3HG1 VAL 416 -10.019 6.142 -1.181 757 1HG2 VAL 416 1HG2 VAL 416 -9.883 3.376 0.998 758 2HG2 VAL 416 2HG2 VAL 416 -8.233 3.631 1.566 759 3HG2 VAL 416 3HG2 VAL 416 -8.532 2.635 0.140 760 H GLY 417 H GLY 417 -7.885 1.881 -1.516 761 1HA GLY 417 2HA GLY 417 -10.181 1.672 -3.284 762 2HA GLY 417 1HA GLY 417 -8.655 1.137 -3.963 763 H ARG 418 H ARG 418 -11.192 -0.297 -3.255 764 HA ARG 418 HA ARG 418 -10.896 -1.935 -1.021 765 1HB ARG 418 2HB ARG 418 -12.345 -3.557 -2.323 766 2HB ARG 418 1HB ARG 418 -12.991 -1.936 -2.115 767 1HG ARG 418 2HG ARG 418 -11.736 -1.626 -4.466 768 2HG ARG 418 1HG ARG 418 -12.138 -3.342 -4.560 769 1HD ARG 418 2HD ARG 418 -14.136 -1.193 -3.876 770 2HD ARG 418 1HD ARG 418 -13.856 -1.776 -5.516 771 HE ARG 418 HE ARG 418 -14.365 -4.021 -4.010 772 1HH1 ARG 418 1HH1 ARG 418 -16.035 -1.065 -4.780 773 2HH1 ARG 418 2HH1 ARG 418 -17.612 -1.768 -4.654 774 1HH2 ARG 418 1HH2 ARG 418 -16.443 -4.961 -3.848 775 2HH2 ARG 418 2HH2 ARG 418 -17.843 -3.982 -4.125 776 H ASN 419 H ASN 419 -9.772 -2.468 -4.342 777 HA ASN 419 HA ASN 419 -8.286 -4.826 -3.452 778 1HB ASN 419 2HB ASN 419 -8.701 -5.688 -5.490 779 2HB ASN 419 1HB ASN 419 -9.810 -4.345 -5.722 780 1HD2 ASN 419 1HD2 ASN 419 -9.268 -2.694 -7.094 781 2HD2 ASN 419 2HD2 ASN 419 -7.901 -2.757 -8.148 782 H ILE 420 H ILE 420 -7.620 -2.153 -2.751 783 HA ILE 420 HA ILE 420 -5.937 -0.653 -2.621 784 HB ILE 420 HB ILE 420 -3.933 -1.489 -2.043 785 1HG1 ILE 420 2HG1 ILE 420 -3.071 -3.730 -3.044 786 2HG1 ILE 420 1HG1 ILE 420 -4.248 -3.430 -4.314 787 1HG2 ILE 420 1HG2 ILE 420 -4.988 -4.208 -1.875 788 2HG2 ILE 420 2HG2 ILE 420 -6.119 -2.968 -1.327 789 3HG2 ILE 420 3HG2 ILE 420 -4.517 -3.090 -0.595 790 1HD1 ILE 420 1HD1 ILE 420 -2.875 -2.017 -5.313 791 2HD1 ILE 420 2HD1 ILE 420 -1.643 -2.447 -4.126 792 3HD1 ILE 420 3HD1 ILE 420 -2.702 -1.065 -3.840 793 H LYS 421 H LYS 421 -5.379 -2.623 -5.588 794 HA LYS 421 HA LYS 421 -3.578 -1.011 -6.848 795 1HB LYS 421 2HB LYS 421 -5.528 -2.944 -7.695 796 2HB LYS 421 1HB LYS 421 -5.497 -1.598 -8.832 797 1HG LYS 421 2HG LYS 421 -3.929 -3.280 -9.537 798 2HG LYS 421 1HG LYS 421 -3.057 -1.835 -9.004 799 1HD LYS 421 2HD LYS 421 -1.849 -3.294 -7.790 800 2HD LYS 421 1HD LYS 421 -3.223 -3.221 -6.686 801 1HE LYS 421 2HE LYS 421 -3.737 -5.110 -8.786 802 2HE LYS 421 1HE LYS 421 -2.198 -5.477 -8.006 803 1HZ LYS 421 1HZ LYS 421 -3.749 -5.013 -5.886 804 2HZ LYS 421 2HZ LYS 421 -3.520 -6.548 -6.557 805 3HZ LYS 421 3HZ LYS 421 -4.896 -5.649 -6.956 806 H ILE 422 H ILE 422 -7.113 -0.648 -7.018 807 HA ILE 422 HA ILE 422 -7.340 1.692 -8.413 808 HB ILE 422 HB ILE 422 -8.903 1.879 -5.951 809 1HG1 ILE 422 2HG1 ILE 422 -10.358 -0.124 -6.673 810 2HG1 ILE 422 1HG1 ILE 422 -8.919 -0.684 -7.522 811 1HG2 ILE 422 1HG2 ILE 422 -9.643 1.627 -8.857 812 2HG2 ILE 422 2HG2 ILE 422 -9.446 3.123 -7.939 813 3HG2 ILE 422 3HG2 ILE 422 -10.761 2.011 -7.547 814 1HD1 ILE 422 1HD1 ILE 422 -8.496 -1.721 -5.585 815 2HD1 ILE 422 2HD1 ILE 422 -9.519 -0.624 -4.656 816 3HD1 ILE 422 3HD1 ILE 422 -7.877 -0.144 -5.093 817 H ALA 423 H ALA 423 -6.194 1.144 -5.165 818 HA ALA 423 HA ALA 423 -6.043 3.874 -4.384 819 1HB ALA 423 1HB ALA 423 -4.070 2.112 -3.154 820 2HB ALA 423 2HB ALA 423 -5.714 1.468 -3.107 821 3HB ALA 423 3HB ALA 423 -5.365 3.057 -2.417 822 H GLY 424 H GLY 424 -3.627 1.565 -5.707 823 1HA GLY 424 2HA GLY 424 -1.481 3.399 -5.764 824 2HA GLY 424 1HA GLY 424 -1.638 1.979 -6.791 825 H ILE 425 H ILE 425 -3.577 2.357 -8.447 826 HA ILE 425 HA ILE 425 -2.681 4.202 -10.334 827 HB ILE 425 HB ILE 425 -5.384 2.890 -10.032 828 1HG1 ILE 425 2HG1 ILE 425 -4.458 1.638 -12.091 829 2HG1 ILE 425 1HG1 ILE 425 -2.892 2.286 -11.615 830 1HG2 ILE 425 1HG2 ILE 425 -4.314 4.625 -12.244 831 2HG2 ILE 425 2HG2 ILE 425 -5.787 4.849 -11.301 832 3HG2 ILE 425 3HG2 ILE 425 -5.672 3.518 -12.454 833 1HD1 ILE 425 1HD1 ILE 425 -4.460 0.908 -9.525 834 2HD1 ILE 425 2HD1 ILE 425 -2.723 0.921 -9.824 835 3HD1 ILE 425 3HD1 ILE 425 -3.779 -0.086 -10.813 836 H ARG 426 H ARG 426 -5.200 4.460 -7.875 837 HA ARG 426 HA ARG 426 -6.275 6.933 -8.672 838 1HB ARG 426 2HB ARG 426 -7.537 5.661 -7.119 839 2HB ARG 426 1HB ARG 426 -6.172 5.516 -6.018 840 1HG ARG 426 2HG ARG 426 -7.648 7.060 -5.035 841 2HG ARG 426 1HG ARG 426 -6.312 8.009 -5.691 842 1HD ARG 426 2HD ARG 426 -7.593 8.851 -7.427 843 2HD ARG 426 1HD ARG 426 -8.765 7.537 -7.336 844 HE ARG 426 HE ARG 426 -8.658 9.302 -5.036 845 1HH1 ARG 426 1HH1 ARG 426 -10.186 8.528 -8.070 846 2HH1 ARG 426 2HH1 ARG 426 -11.639 9.399 -7.707 847 1HH2 ARG 426 1HH2 ARG 426 -10.568 10.453 -4.553 848 2HH2 ARG 426 2HH2 ARG 426 -11.856 10.493 -5.710 849 H ALA 427 H ALA 427 -3.794 6.184 -6.202 850 HA ALA 427 HA ALA 427 -3.201 8.713 -5.337 851 1HB ALA 427 1HB ALA 427 -2.077 6.329 -4.877 852 2HB ALA 427 2HB ALA 427 -1.296 7.851 -4.451 853 3HB ALA 427 3HB ALA 427 -0.849 7.017 -5.938 854 H ALA 428 H ALA 428 -2.146 7.105 -8.298 855 HA ALA 428 HA ALA 428 -0.435 9.128 -9.242 856 1HB ALA 428 1HB ALA 428 -2.116 7.361 -11.005 857 2HB ALA 428 2HB ALA 428 -0.683 6.776 -10.160 858 3HB ALA 428 3HB ALA 428 -0.538 8.066 -11.355 859 H GLU 429 H GLU 429 -3.817 8.427 -10.133 860 HA GLU 429 HA GLU 429 -4.312 10.668 -11.667 861 1HB GLU 429 2HB GLU 429 -5.793 8.540 -10.891 862 2HB GLU 429 1HB GLU 429 -6.526 9.800 -9.910 863 1HG GLU 429 2HG GLU 429 -6.111 10.425 -12.764 864 2HG GLU 429 1HG GLU 429 -7.332 9.214 -12.383 865 H ASN 430 H ASN 430 -3.737 10.476 -8.310 866 HA ASN 430 HA ASN 430 -5.130 12.905 -7.622 867 1HB ASN 430 2HB ASN 430 -3.578 10.845 -6.194 868 2HB ASN 430 1HB ASN 430 -3.410 12.474 -5.549 869 1HD2 ASN 430 1HD2 ASN 430 -5.976 10.359 -6.792 870 2HD2 ASN 430 2HD2 ASN 430 -7.112 10.720 -5.542 871 H ALA 431 H ALA 431 -1.828 11.879 -8.333 872 HA ALA 431 HA ALA 431 -0.522 14.277 -7.678 873 1HB ALA 431 1HB ALA 431 1.151 12.847 -8.027 874 2HB ALA 431 2HB ALA 431 0.969 13.215 -9.742 875 3HB ALA 431 3HB ALA 431 0.157 11.811 -9.050 876 H LEU 432 H LEU 432 -1.883 13.120 -10.725 877 HA LEU 432 HA LEU 432 -1.222 15.608 -12.065 878 1HB LEU 432 2HB LEU 432 -1.694 14.567 -14.008 879 2HB LEU 432 1HB LEU 432 -1.436 13.141 -13.025 880 HG LEU 432 HG LEU 432 -4.005 14.262 -14.080 881 1HD1 LEU 432 1HD1 LEU 432 -4.272 11.723 -14.439 882 2HD1 LEU 432 2HD1 LEU 432 -2.536 11.666 -14.139 883 3HD1 LEU 432 3HD1 LEU 432 -3.168 12.622 -15.480 884 1HD2 LEU 432 1HD2 LEU 432 -4.865 12.232 -12.532 885 2HD2 LEU 432 2HD2 LEU 432 -4.919 13.927 -12.049 886 3HD2 LEU 432 3HD2 LEU 432 -3.595 12.897 -11.505 887 H ARG 433 H ARG 433 -3.443 14.860 -9.863 888 HA ARG 433 HA ARG 433 -5.803 16.023 -11.028 889 1HB ARG 433 2HB ARG 433 -5.551 14.292 -9.045 890 2HB ARG 433 1HB ARG 433 -5.461 15.753 -8.073 891 1HG ARG 433 2HG ARG 433 -7.618 16.477 -9.000 892 2HG ARG 433 1HG ARG 433 -7.715 14.966 -9.906 893 1HD ARG 433 2HD ARG 433 -8.645 13.999 -8.138 894 2HD ARG 433 1HD ARG 433 -7.158 14.275 -7.232 895 HE ARG 433 HE ARG 433 -8.260 15.882 -6.054 896 1HH1 ARG 433 1HH1 ARG 433 -9.895 15.415 -9.090 897 2HH1 ARG 433 2HH1 ARG 433 -11.184 16.509 -8.716 898 1HH2 ARG 433 1HH2 ARG 433 -9.954 17.326 -5.543 899 2HH2 ARG 433 2HH2 ARG 433 -11.218 17.597 -6.696 900 H ASP 434 H ASP 434 -3.021 17.451 -10.329 901 HA ASP 434 HA ASP 434 -4.351 19.919 -9.438 902 1HB ASP 434 2HB ASP 434 -1.712 18.807 -8.493 903 2HB ASP 434 1HB ASP 434 -2.195 20.481 -8.238 904 H LYS 435 H LYS 435 -4.461 20.519 -11.655 905 HA LYS 435 HA LYS 435 -2.441 20.600 -13.510 906 1HB LYS 435 2HB LYS 435 -3.796 21.970 -14.735 907 2HB LYS 435 1HB LYS 435 -4.971 21.445 -13.540 908 1HG LYS 435 2HG LYS 435 -4.747 23.482 -12.316 909 2HG LYS 435 1HG LYS 435 -3.368 23.981 -13.298 910 1HD LYS 435 2HD LYS 435 -6.066 23.462 -14.507 911 2HD LYS 435 1HD LYS 435 -5.637 25.033 -13.822 912 1HE LYS 435 2HE LYS 435 -4.216 25.528 -15.508 913 2HE LYS 435 1HE LYS 435 -3.680 23.858 -15.689 914 1HZ LYS 435 1HZ LYS 435 -5.248 25.106 -17.440 915 2HZ LYS 435 2HZ LYS 435 -6.425 24.389 -16.461 916 3HZ LYS 435 3HZ LYS 435 -5.253 23.429 -17.215 917 H LYS 436 H LYS 436 -3.253 23.179 -11.193 918 HA LYS 436 HA LYS 436 -1.210 24.944 -11.820 919 1HB LYS 436 2HB LYS 436 -2.257 24.474 -9.028 920 2HB LYS 436 1HB LYS 436 -1.596 25.963 -9.687 921 1HG LYS 436 2HG LYS 436 -3.898 24.952 -11.170 922 2HG LYS 436 1HG LYS 436 -4.249 25.352 -9.487 923 1HD LYS 436 2HD LYS 436 -4.612 27.377 -10.531 924 2HD LYS 436 1HD LYS 436 -2.928 27.537 -10.028 925 1HE LYS 436 2HE LYS 436 -2.124 27.257 -12.176 926 2HE LYS 436 1HE LYS 436 -3.573 26.414 -12.719 927 1HZ LYS 436 1HZ LYS 436 -3.035 28.977 -13.255 928 2HZ LYS 436 2HZ LYS 436 -3.992 29.150 -11.872 929 3HZ LYS 436 3HZ LYS 436 -4.597 28.328 -13.221 930 H MET 437 H MET 437 -1.204 22.194 -9.595 931 HA MET 437 HA MET 437 1.457 22.617 -8.664 932 1HB MET 437 2HB MET 437 -0.001 21.326 -7.281 933 2HB MET 437 1HB MET 437 -0.384 20.233 -8.602 934 1HG MET 437 2HG MET 437 2.271 19.876 -8.468 935 2HG MET 437 1HG MET 437 1.925 20.267 -6.784 936 1HE MET 437 1HE MET 437 2.571 16.716 -8.275 937 2HE MET 437 2HE MET 437 2.264 18.046 -9.393 938 3HE MET 437 3HE MET 437 1.117 16.711 -9.273 939 H LEU 438 H LEU 438 -0.018 20.842 -11.301 940 HA LEU 438 HA LEU 438 2.264 19.350 -12.067 941 1HB LEU 438 2HB LEU 438 -0.180 20.259 -13.583 942 2HB LEU 438 1HB LEU 438 1.078 19.287 -14.322 943 HG LEU 438 HG LEU 438 -0.923 18.519 -12.237 944 1HD1 LEU 438 1HD1 LEU 438 0.119 17.306 -14.790 945 2HD1 LEU 438 2HD1 LEU 438 -1.485 17.978 -14.488 946 3HD1 LEU 438 3HD1 LEU 438 -0.991 16.482 -13.695 947 1HD2 LEU 438 1HD2 LEU 438 1.880 17.554 -12.460 948 2HD2 LEU 438 2HD2 LEU 438 0.612 16.368 -12.150 949 3HD2 LEU 438 3HD2 LEU 438 0.848 17.717 -11.040 950 H ASP 439 H ASP 439 0.801 22.198 -13.641 951 HA ASP 439 HA ASP 439 2.960 22.813 -15.291 952 1HB ASP 439 2HB ASP 439 0.637 23.826 -15.384 953 2HB ASP 439 1HB ASP 439 1.109 24.851 -14.032 954 H PHE 440 H PHE 440 2.419 23.297 -11.920 955 HA PHE 440 HA PHE 440 4.314 25.314 -11.401 956 1HB PHE 440 2HB PHE 440 2.989 24.962 -9.549 957 2HB PHE 440 1HB PHE 440 2.951 23.216 -9.773 958 HD1 PHE 440 HD1 PHE 440 4.090 21.924 -8.257 959 HD2 PHE 440 HD2 PHE 440 5.397 25.913 -8.959 960 HE1 PHE 440 HE1 PHE 440 5.815 21.661 -6.520 961 HE2 PHE 440 HE2 PHE 440 7.123 25.658 -7.224 962 HZ PHE 440 HZ PHE 440 7.335 23.529 -6.002 963 H TYR 441 H TYR 441 4.562 21.786 -11.505 964 HA TYR 441 HA TYR 441 7.320 21.714 -10.817 965 1HB TYR 441 2HB TYR 441 5.424 19.710 -12.020 966 2HB TYR 441 1HB TYR 441 7.141 19.352 -11.824 967 HD1 TYR 441 HD1 TYR 441 8.113 19.774 -9.444 968 HD2 TYR 441 HD2 TYR 441 3.975 19.256 -10.268 969 HE1 TYR 441 HE1 TYR 441 7.732 19.182 -7.094 970 HE2 TYR 441 HE2 TYR 441 3.575 18.656 -7.918 971 HH TYR 441 HH TYR 441 5.419 19.338 -5.504 972 H ALA 442 H ALA 442 5.547 22.211 -13.737 973 HA ALA 442 HA ALA 442 7.529 21.556 -15.625 974 1HB ALA 442 1HB ALA 442 4.966 22.638 -15.738 975 2HB ALA 442 2HB ALA 442 6.016 22.267 -17.105 976 3HB ALA 442 3HB ALA 442 6.007 23.889 -16.416 977 H LYS 443 H LYS 443 6.753 24.599 -13.979 978 HA LYS 443 HA LYS 443 8.857 26.117 -15.090 979 1HB LYS 443 2HB LYS 443 7.231 27.444 -14.119 980 2HB LYS 443 1HB LYS 443 7.056 26.393 -12.720 981 1HG LYS 443 2HG LYS 443 8.997 27.254 -11.703 982 2HG LYS 443 1HG LYS 443 9.513 28.054 -13.190 983 1HD LYS 443 2HD LYS 443 6.880 28.789 -11.997 984 2HD LYS 443 1HD LYS 443 8.355 29.409 -11.251 985 1HE LYS 443 2HE LYS 443 9.032 30.414 -13.345 986 2HE LYS 443 1HE LYS 443 7.639 29.712 -14.167 987 1HZ LYS 443 1HZ LYS 443 7.674 31.869 -12.143 988 2HZ LYS 443 2HZ LYS 443 6.259 31.020 -12.513 989 3HZ LYS 443 3HZ LYS 443 7.046 31.912 -13.714 990 H GLN 444 H GLN 444 8.596 24.153 -12.145 991 HA GLN 444 HA GLN 444 11.125 24.776 -11.078 992 1HB GLN 444 2HB GLN 444 9.095 22.643 -10.689 993 2HB GLN 444 1HB GLN 444 10.732 22.265 -10.173 994 1HG GLN 444 2HG GLN 444 10.119 24.851 -9.213 995 2HG GLN 444 1HG GLN 444 8.751 23.798 -8.842 996 1HE2 GLN 444 1HE2 GLN 444 10.218 21.405 -8.630 997 2HE2 GLN 444 2HE2 GLN 444 11.161 21.479 -7.185 998 H ARG 445 H ARG 445 10.028 22.487 -13.480 999 HA ARG 445 HA ARG 445 12.281 20.855 -13.699 1000 1HB ARG 445 2HB ARG 445 9.855 21.190 -15.070 1001 2HB ARG 445 1HB ARG 445 11.104 21.426 -16.284 1002 1HG ARG 445 2HG ARG 445 10.410 18.997 -14.721 1003 2HG ARG 445 1HG ARG 445 10.771 19.173 -16.438 1004 1HD ARG 445 2HD ARG 445 13.117 19.926 -15.137 1005 2HD ARG 445 1HD ARG 445 12.532 18.538 -14.237 1006 HE ARG 445 HE ARG 445 12.785 17.206 -16.144 1007 1HH1 ARG 445 1HH1 ARG 445 13.711 20.520 -16.751 1008 2HH1 ARG 445 2HH1 ARG 445 14.574 20.138 -18.200 1009 1HH2 ARG 445 1HH2 ARG 445 13.913 16.713 -18.050 1010 2HH2 ARG 445 2HH2 ARG 445 14.688 17.982 -18.939 1011 H ALA 446 H ALA 446 11.410 23.697 -15.664 1012 HA ALA 446 HA ALA 446 13.899 23.874 -16.986 1013 1HB ALA 446 1HB ALA 446 13.180 26.060 -17.727 1014 2HB ALA 446 2HB ALA 446 11.928 26.103 -16.487 1015 3HB ALA 446 3HB ALA 446 11.821 24.940 -17.808 1016 H ALA 447 H ALA 447 12.785 24.918 -13.899 1017 HA ALA 447 HA ALA 447 14.839 26.854 -13.415 1018 1HB ALA 447 1HB ALA 447 12.725 27.001 -12.227 1019 2HB ALA 447 2HB ALA 447 14.054 26.800 -11.085 1020 3HB ALA 447 3HB ALA 447 13.014 25.431 -11.478 1021 H ILE 448 H ILE 448 14.208 23.944 -11.503 1022 HA ILE 448 HA ILE 448 16.379 23.426 -10.177 1023 HB ILE 448 HB ILE 448 16.190 21.025 -10.637 1024 1HG1 ILE 448 2HG1 ILE 448 13.948 21.161 -12.464 1025 2HG1 ILE 448 1HG1 ILE 448 15.394 21.867 -13.180 1026 1HG2 ILE 448 1HG2 ILE 448 13.356 21.725 -10.667 1027 2HG2 ILE 448 2HG2 ILE 448 14.314 22.650 -9.511 1028 3HG2 ILE 448 3HG2 ILE 448 14.306 20.888 -9.438 1029 1HD1 ILE 448 1HD1 ILE 448 14.761 19.233 -13.218 1030 2HD1 ILE 448 2HD1 ILE 448 15.844 19.314 -11.828 1031 3HD1 ILE 448 3HD1 ILE 448 16.390 19.882 -13.406 1032 HA PRO 449 HA PRO 449 19.496 24.236 -13.487 1033 1HB PRO 449 2HB PRO 449 21.056 24.273 -10.941 1034 2HB PRO 449 1HB PRO 449 21.147 25.361 -12.331 1035 1HG PRO 449 2HG PRO 449 19.923 26.142 -10.116 1036 2HG PRO 449 1HG PRO 449 19.233 26.529 -11.704 1037 1HD PRO 449 2HD PRO 449 18.391 24.454 -9.727 1038 2HD PRO 449 1HD PRO 449 17.396 25.466 -10.793 1039 H ARG 450 H ARG 450 19.174 21.825 -11.013 1040 HA ARG 450 HA ARG 450 20.059 19.735 -10.751 1041 1HB ARG 450 2HB ARG 450 19.036 19.812 -13.192 1042 2HB ARG 450 1HB ARG 450 20.719 19.640 -13.665 1043 1HG ARG 450 2HG ARG 450 20.617 17.671 -11.888 1044 2HG ARG 450 1HG ARG 450 18.912 17.708 -12.339 1045 1HD ARG 450 2HD ARG 450 19.446 16.471 -14.109 1046 2HD ARG 450 1HD ARG 450 20.288 17.882 -14.751 1047 HE ARG 450 HE ARG 450 22.113 16.730 -13.101 1048 1HH1 ARG 450 1HH1 ARG 450 20.187 15.581 -15.765 1049 2HH1 ARG 450 2HH1 ARG 450 21.354 14.404 -16.270 1050 1HH2 ARG 450 1HH2 ARG 450 23.656 15.184 -13.756 1051 2HH2 ARG 450 2HH2 ARG 450 23.326 14.178 -15.128 1052 H SER 451 H SER 451 21.868 20.790 -9.617 1053 HA SER 451 HA SER 451 24.079 21.009 -9.138 1054 1HB SER 451 2HB SER 451 25.608 19.418 -10.071 1055 2HB SER 451 1HB SER 451 24.055 18.600 -9.913 1056 HG SER 451 HG SER 451 25.263 18.397 -11.987 1057 H GLU 452 H GLU 452 26.278 20.879 -11.064 1058 HA GLU 452 HA GLU 452 25.759 22.933 -13.023 1059 1HB GLU 452 2HB GLU 452 27.251 23.491 -10.489 1060 2HB GLU 452 1HB GLU 452 27.749 24.290 -11.975 1061 1HG GLU 452 2HG GLU 452 25.104 24.762 -12.053 1062 2HG GLU 452 1HG GLU 452 25.359 24.699 -10.311 1063 H SER 453 HN SER 453 26.862 20.147 -12.704 1064 HA SER 453 HA SER 453 29.571 20.545 -13.756 1065 1HB SER 453 2HB SER 453 30.069 18.340 -13.123 1066 2HB SER 453 1HB SER 453 29.026 18.913 -11.822 1067 HG SER 453 HG SER 453 28.534 17.024 -13.804 Start of MODEL 10 1 1H5* G 1 2H5* G 1 -18.005 -26.695 -7.396 2 2H5* G 1 1H5* G 1 -16.567 -25.653 -7.407 3 H4* G 1 H4* G 1 -18.643 -24.772 -8.639 4 H3* G 1 H3* G 1 -16.968 -23.299 -6.615 5 H2* G 1 H2* G 1 -18.456 -21.460 -6.537 6 2HO* G 1 HO2* G 1 -19.981 -22.559 -8.674 7 H1* G 1 H1* G 1 -20.783 -22.778 -6.425 8 H8 G 1 H8 G 1 -18.446 -25.031 -4.592 9 H1 G 1 H1 G 1 -19.892 -19.842 -1.181 10 1H2 G 1 1H2 G 1 -20.922 -18.353 -2.467 11 2H2 G 1 2H2 G 1 -21.253 -18.643 -4.160 12 H5T G 1 H5T G 1 -17.675 -26.671 -5.329 13 1H5* G 2 2H5* G 2 -19.048 -20.438 -8.787 14 2H5* G 2 1H5* G 2 -17.838 -19.679 -9.841 15 H4* G 2 H4* G 2 -19.134 -17.897 -8.899 16 H3* G 2 H3* G 2 -16.440 -18.260 -7.523 17 H2* G 2 H2* G 2 -16.934 -16.283 -6.283 18 2HO* G 2 HO2* G 2 -19.300 -15.478 -7.119 19 H1* G 2 H1* G 2 -19.556 -16.901 -5.770 20 H8 G 2 H8 G 2 -17.334 -19.953 -5.508 21 H1 G 2 H1 G 2 -17.197 -16.323 -0.273 22 1H2 G 2 1H2 G 2 -18.243 -14.405 -0.651 23 2H2 G 2 2H2 G 2 -18.976 -14.020 -2.194 24 1H5* G 3 2H5* G 3 -16.950 -14.197 -8.172 25 2H5* G 3 1H5* G 3 -15.491 -13.540 -8.936 26 H4* G 3 H4* G 3 -16.073 -12.264 -6.912 27 H3* G 3 H3* G 3 -13.524 -13.890 -7.006 28 H2* G 3 H2* G 3 -13.046 -13.414 -4.779 29 2HO* G 3 HO2* G 3 -14.639 -11.084 -5.185 30 H1* G 3 H1* G 3 -15.681 -12.951 -3.841 31 H8 G 3 H8 G 3 -15.012 -16.351 -5.361 32 H1 G 3 H1 G 3 -13.305 -15.943 0.772 33 1H2 G 3 1H2 G 3 -13.402 -13.844 1.450 34 2H2 G 3 2H2 G 3 -13.887 -12.537 0.396 35 1H5* A 4 2H5* A 4 -13.486 -9.618 -5.080 36 2H5* A 4 1H5* A 4 -12.055 -8.880 -5.829 37 H4* A 4 H4* A 4 -12.132 -8.374 -3.420 38 H3* A 4 H3* A 4 -9.940 -10.185 -4.482 39 H2* A 4 H2* A 4 -9.058 -10.414 -2.315 40 2HO* A 4 HO2* A 4 -10.747 -8.413 -1.243 41 H1* A 4 H1* A 4 -11.412 -10.471 -0.898 42 H8 A 4 H8 A 4 -11.178 -12.573 -4.099 43 1H6 A 4 1H6 A 4 -9.055 -17.093 -0.484 44 2H6 A 4 2H6 A 4 -9.570 -16.681 -2.106 45 H2 A 4 H2 A 4 -9.446 -13.379 2.003 46 1H5* U 5 2H5* U 5 -8.868 -7.517 -1.610 47 2H5* U 5 1H5* U 5 -7.619 -6.349 -2.088 48 H4* U 5 H4* U 5 -7.000 -6.945 0.106 49 H3* U 5 H3* U 5 -5.477 -8.571 -1.956 50 H2* U 5 H2* U 5 -4.335 -9.689 -0.199 51 2HO* U 5 HO2* U 5 -4.572 -8.910 2.010 52 H1* U 5 H1* U 5 -6.461 -10.012 1.489 53 H3 U 5 H3 U 5 -5.860 -14.242 0.106 54 H5 U 5 H5 U 5 -7.042 -12.235 -3.406 55 H6 U 5 H6 U 5 -6.991 -10.155 -2.153 56 1H5* A 6 2H5* A 6 -2.906 -7.496 1.535 57 2H5* A 6 1H5* A 6 -1.302 -7.224 0.828 58 H4* A 6 H4* A 6 -1.546 -9.088 2.618 59 H3* A 6 H3* A 6 -0.145 -9.265 -0.054 60 H2* A 6 H2* A 6 0.164 -11.551 0.153 61 2HO* A 6 HO2* A 6 1.272 -12.024 1.882 62 H1* A 6 H1* A 6 -1.882 -12.093 2.099 63 H8 A 6 H8 A 6 -2.971 -10.897 -1.317 64 1H6 A 6 1H6 A 6 -2.965 -16.802 -3.073 65 2H6 A 6 2H6 A 6 -3.408 -15.171 -3.527 66 H2 A 6 H2 A 6 -1.091 -16.556 1.004 67 1H5* C 7 2H5* C 7 2.189 -11.379 3.591 68 2H5* C 7 1H5* C 7 3.800 -10.700 3.278 69 H4* C 7 H4* C 7 3.986 -13.107 3.670 70 H3* C 7 H3* C 7 4.511 -12.032 0.893 71 H2* C 7 H2* C 7 4.817 -14.185 0.030 72 2HO* C 7 HO2* C 7 5.425 -15.929 1.288 73 H1* C 7 H1* C 7 2.980 -15.567 1.557 74 1H4 C 7 1H4 C 7 0.225 -14.776 -4.104 75 2H4 C 7 2H4 C 7 0.154 -13.042 -3.884 76 H5 C 7 H5 C 7 1.067 -11.918 -1.958 77 H6 C 7 H6 C 7 2.248 -12.215 0.172 78 1H5* C 8 2H5* C 8 7.477 -15.463 2.090 79 2H5* C 8 1H5* C 8 9.017 -14.717 1.620 80 H4* C 8 H4* C 8 8.944 -16.964 0.710 81 H3* C 8 H3* C 8 8.530 -14.747 -1.338 82 H2* C 8 H2* C 8 8.563 -16.434 -3.020 83 2HO* C 8 HO2* C 8 9.735 -18.182 -2.779 84 H1* C 8 H1* C 8 7.043 -18.275 -1.655 85 1H4 C 8 1H4 C 8 2.897 -15.242 -5.392 86 2H4 C 8 2H4 C 8 3.102 -13.756 -4.490 87 H5 C 8 H5 C 8 4.660 -13.522 -2.670 88 H6 C 8 H6 C 8 6.361 -14.659 -1.324 89 1H5* A 9 2H5* A 9 11.373 -17.517 -3.225 90 2H5* A 9 1H5* A 9 12.555 -16.409 -3.942 91 H4* A 9 H4* A 9 11.567 -17.905 -5.645 92 H3* A 9 H3* A 9 11.008 -14.921 -5.790 93 H2* A 9 H2* A 9 9.740 -15.263 -7.726 94 2HO* A 9 HO2* A 9 10.509 -16.538 -9.220 95 H1* A 9 H1* A 9 8.824 -17.874 -7.137 96 H8 A 9 H8 A 9 8.216 -15.069 -4.620 97 1H6 A 9 1H6 A 9 2.899 -14.059 -7.557 98 2H6 A 9 2H6 A 9 3.869 -13.645 -6.161 99 H2 A 9 H2 A 9 5.253 -17.072 -9.926 100 1H5* U 10 2H5* U 10 12.564 -16.993 -9.840 101 2H5* U 10 1H5* U 10 13.378 -15.633 -10.635 102 H4* U 10 H4* U 10 11.596 -16.898 -12.001 103 H3* U 10 H3* U 10 11.785 -13.905 -11.627 104 H2* U 10 H2* U 10 9.785 -13.546 -12.806 105 2HO* U 10 HO2* U 10 8.942 -15.045 -14.250 106 H1* U 10 H1* U 10 8.354 -15.739 -11.956 107 H3 U 10 H3 U 10 6.127 -12.244 -10.182 108 H5 U 10 H5 U 10 9.699 -12.384 -7.956 109 H6 U 10 H6 U 10 10.483 -14.127 -9.451 110 1H5* G 11 2H5* G 11 10.709 -15.415 -15.912 111 2H5* G 11 1H5* G 11 11.340 -14.182 -17.021 112 H4* G 11 H4* G 11 8.817 -14.818 -17.180 113 H3* G 11 H3* G 11 9.952 -12.000 -17.072 114 H2* G 11 H2* G 11 7.782 -11.119 -17.140 115 2HO* G 11 HO2* G 11 7.177 -13.573 -18.430 116 H1* G 11 H1* G 11 6.446 -13.291 -15.887 117 H8 G 11 H8 G 11 9.242 -11.733 -13.875 118 H1 G 11 H1 G 11 3.762 -8.501 -13.452 119 1H2 G 11 1H2 G 11 2.306 -9.281 -14.925 120 2H2 G 11 2H2 G 11 2.684 -10.599 -16.013 121 1H5* U 12 2H5* U 12 6.956 -13.540 -20.325 122 2H5* U 12 1H5* U 12 6.974 -12.471 -21.742 123 H4* U 12 H4* U 12 4.676 -13.050 -20.703 124 H3* U 12 H3* U 12 5.685 -10.290 -21.433 125 H2* U 12 H2* U 12 3.694 -9.299 -20.599 126 2HO* U 12 HO2* U 12 2.172 -11.271 -19.753 127 H1* U 12 H1* U 12 3.449 -10.749 -18.325 128 H3 U 12 H3 U 12 4.851 -6.619 -17.059 129 H5 U 12 H5 U 12 8.357 -8.627 -18.265 130 H6 U 12 H6 U 12 6.960 -10.424 -19.104 131 1H5* U 13 2H5* U 13 1.390 -10.527 -21.677 132 2H5* U 13 1H5* U 13 0.915 -9.827 -23.239 133 H4* U 13 H4* U 13 -0.154 -8.770 -21.174 134 H3* U 13 H3* U 13 1.356 -7.278 -23.320 135 H2* U 13 H2* U 13 1.385 -5.329 -22.088 136 2HO* U 13 HO2* U 13 -0.495 -4.551 -21.536 137 H1* U 13 H1* U 13 0.689 -6.454 -19.509 138 H3 U 13 H3 U 13 3.661 -3.163 -18.534 139 H5 U 13 H5 U 13 5.900 -5.955 -20.763 140 H6 U 13 H6 U 13 3.853 -7.194 -21.152 141 1H5* C 14 2H5* C 14 -2.607 -5.422 -21.974 142 2H5* C 14 1H5* C 14 -3.286 -4.491 -23.323 143 H4* C 14 H4* C 14 -2.966 -3.237 -21.101 144 H3* C 14 H3* C 14 -1.914 -2.317 -23.792 145 H2* C 14 H2* C 14 -0.864 -0.485 -22.805 146 2HO* C 14 HO2* C 14 -3.094 -0.103 -21.719 147 H1* C 14 H1* C 14 -0.559 -1.563 -20.171 148 1H4 C 14 1H4 C 14 5.267 -0.439 -22.495 149 2H4 C 14 2H4 C 14 5.144 -1.850 -23.522 150 H5 C 14 H5 C 14 3.149 -3.182 -23.701 151 H6 C 14 H6 C 14 0.839 -3.451 -22.936 152 1H5* A 15 2H5* A 15 -2.778 1.261 -25.889 153 2H5* A 15 1H5* A 15 -1.919 -0.215 -25.403 154 H4* A 15 H4* A 15 -1.497 2.371 -23.895 155 H3* A 15 H3* A 15 -0.428 1.598 -26.620 156 H2* A 15 H2* A 15 1.752 2.228 -26.019 157 2HO* A 15 HO2* A 15 0.765 3.588 -23.716 158 H1* A 15 H1* A 15 1.678 1.547 -23.315 159 H8 A 15 H8 A 15 0.415 -1.350 -25.304 160 1H6 A 15 1H6 A 15 6.267 -2.814 -26.543 161 2H6 A 15 2H6 A 15 4.606 -3.353 -26.623 162 H2 A 15 H2 A 15 6.218 1.280 -24.683 163 1H5* G 16 2H5* G 16 0.882 4.635 -26.292 164 2H5* G 16 1H5* G 16 1.236 5.901 -27.487 165 H4* G 16 H4* G 16 3.214 4.529 -27.214 166 H3* G 16 H3* G 16 1.792 4.706 -29.762 167 H2* G 16 H2* G 16 1.799 2.407 -30.179 168 2HO* G 16 HO2* G 16 3.740 1.717 -31.043 169 H1* G 16 H1* G 16 4.052 1.988 -28.203 170 H8 G 16 H8 G 16 4.256 -0.570 -28.114 171 H1 G 16 H1 G 16 -1.874 -1.553 -29.561 172 1H2 G 16 1H2 G 16 -2.916 0.386 -29.812 173 2H2 G 16 2H2 G 16 -2.102 1.924 -29.622 174 1H5* A 17 2H5* A 17 7.347 6.394 -28.790 175 2H5* A 17 1H5* A 17 5.922 5.956 -27.827 176 H4* A 17 H4* A 17 6.956 8.740 -28.453 177 H3* A 17 H3* A 17 7.289 6.934 -26.219 178 H2* A 17 H2* A 17 5.354 7.575 -25.071 179 2HO* A 17 HO2* A 17 5.704 9.856 -24.184 180 H1* A 17 H1* A 17 5.277 10.241 -26.489 181 H8 A 17 H8 A 17 3.065 7.089 -25.935 182 1H6 A 17 1H6 A 17 -1.266 11.027 -24.027 183 2H6 A 17 2H6 A 17 -0.884 9.345 -24.319 184 H2 A 17 H2 A 17 2.397 13.400 -25.106 185 1H5* A 18 2H5* A 18 10.719 9.213 -23.972 186 2H5* A 18 1H5* A 18 11.020 7.604 -23.285 187 H4* A 18 H4* A 18 9.705 9.532 -21.941 188 H3* A 18 H3* A 18 9.470 6.519 -21.921 189 H2* A 18 H2* A 18 7.562 6.602 -20.525 190 2HO* A 18 HO2* A 18 8.532 9.197 -19.943 191 H1* A 18 H1* A 18 6.285 8.714 -21.681 192 H8 A 18 H8 A 18 8.194 6.147 -23.855 193 1H6 A 18 1H6 A 18 2.743 3.392 -24.636 194 2H6 A 18 2H6 A 18 4.432 3.384 -25.090 195 H2 A 18 H2 A 18 2.183 6.794 -21.754 196 1H5* G 19 2H5* G 19 10.115 7.975 -18.000 197 2H5* G 19 1H5* G 19 10.654 6.886 -16.705 198 H4* G 19 H4* G 19 8.203 7.445 -16.611 199 H3* G 19 H3* G 19 9.217 4.602 -16.899 200 H2* G 19 H2* G 19 7.010 3.784 -16.950 201 2HO* G 19 HO2* G 19 5.938 4.681 -15.315 202 H1* G 19 H1* G 19 5.824 5.866 -18.353 203 H8 G 19 H8 G 19 9.027 4.835 -20.019 204 H1 G 19 H1 G 19 4.257 0.774 -21.212 205 1H2 G 19 1H2 G 19 2.525 1.237 -19.906 206 2H2 G 19 2H2 G 19 2.547 2.545 -18.744 207 1H5* A 20 2H5* A 20 6.267 5.876 -13.397 208 2H5* A 20 1H5* A 20 6.628 4.806 -12.029 209 H4* A 20 H4* A 20 4.164 5.165 -12.471 210 H3* A 20 H3* A 20 5.516 2.473 -12.347 211 H2* A 20 H2* A 20 3.537 1.336 -12.980 212 2HO* A 20 HO2* A 20 2.321 3.718 -12.106 213 H1* A 20 H1* A 20 2.707 2.966 -14.950 214 H8 A 20 H8 A 20 6.484 2.953 -14.975 215 1H6 A 20 1H6 A 20 6.194 -2.210 -18.320 216 2H6 A 20 2H6 A 20 7.245 -0.951 -17.711 217 H2 A 20 H2 A 20 2.055 -1.285 -16.824 218 1H5* A 21 2H5* A 21 1.552 2.194 -10.977 219 2H5* A 21 1H5* A 21 1.400 0.985 -9.687 220 H4* A 21 H4* A 21 0.150 0.549 -11.924 221 H3* A 21 H3* A 21 1.892 -1.390 -10.385 222 H2* A 21 H2* A 21 1.745 -2.978 -12.066 223 2HO* A 21 HO2* A 21 -0.158 -2.649 -13.648 224 H1* A 21 H1* A 21 1.195 -1.252 -14.264 225 H8 A 21 H8 A 21 4.490 -0.543 -12.654 226 1H6 A 21 1H6 A 21 6.879 -5.193 -15.897 227 2H6 A 21 2H6 A 21 7.242 -3.822 -14.873 228 H2 A 21 H2 A 21 2.406 -5.356 -16.315 229 1H5* C 22 2H5* C 22 -2.667 -2.985 -11.532 230 2H5* C 22 1H5* C 22 -2.839 -4.316 -10.369 231 H4* C 22 H4* C 22 -3.326 -4.827 -12.859 232 H3* C 22 H3* C 22 -1.573 -6.429 -10.980 233 H2* C 22 H2* C 22 -1.018 -7.942 -12.730 234 2HO* C 22 HO2* C 22 -2.918 -6.599 -14.393 235 H1* C 22 H1* C 22 -0.479 -6.122 -14.634 236 1H4 C 22 1H4 C 22 4.940 -6.951 -11.363 237 2H4 C 22 2H4 C 22 4.451 -5.707 -10.236 238 H5 C 22 H5 C 22 2.293 -4.649 -10.296 239 H6 C 22 H6 C 22 0.137 -4.545 -11.448 240 1H5* G 23 2H5* G 23 -3.576 -8.988 -14.054 241 2H5* G 23 1H5* G 23 -4.163 -10.382 -13.129 242 H4* G 23 H4* G 23 -2.614 -10.838 -15.160 243 H3* G 23 H3* G 23 -2.256 -11.983 -12.364 244 H2* G 23 H2* G 23 -0.364 -13.143 -13.108 245 2HO* G 23 HO2* G 23 -1.783 -13.180 -15.454 246 H1* G 23 H1* G 23 0.530 -11.288 -14.988 247 H8 G 23 H8 G 23 0.098 -9.522 -11.759 248 H1 G 23 H1 G 23 5.103 -13.463 -11.670 249 1H2 G 23 1H2 G 23 5.049 -14.800 -13.427 250 2H2 G 23 2H2 G 23 3.773 -14.726 -14.621 251 1H5* U 24 2H5* U 24 -1.320 -14.868 -15.911 252 2H5* U 24 1H5* U 24 -2.341 -16.242 -15.446 253 H4* U 24 H4* U 24 -0.079 -16.984 -16.115 254 H3* U 24 H3* U 24 -0.982 -17.351 -13.241 255 H2* U 24 H2* U 24 1.096 -18.423 -12.749 256 2HO* U 24 HO2* U 24 2.614 -18.806 -14.526 257 H1* U 24 H1* U 24 2.703 -16.622 -13.950 258 H3 U 24 H3 U 24 3.064 -15.462 -9.608 259 H5 U 24 H5 U 24 -0.794 -14.147 -10.681 260 H6 U 24 H6 U 24 -0.493 -15.238 -12.830 261 1H5* G 25 2H5* G 25 0.942 -20.613 -13.886 262 2H5* G 25 1H5* G 25 -0.069 -22.071 -13.836 263 H4* G 25 H4* G 25 1.604 -22.672 -12.350 264 H3* G 25 H3* G 25 -0.531 -21.210 -10.742 265 H2* G 25 H2* G 25 0.773 -21.642 -8.802 266 2HO* G 25 HO2* G 25 1.397 -23.734 -8.996 267 H1* G 25 H1* G 25 3.219 -21.110 -9.934 268 H8 G 25 H8 G 25 0.270 -18.802 -10.809 269 H1 G 25 H1 G 25 3.626 -16.981 -5.706 270 1H2 G 25 1H2 G 25 5.115 -18.542 -5.185 271 2H2 G 25 2H2 G 25 5.277 -20.027 -6.095 272 1H5* G 26 2H5* G 26 0.261 -25.166 -8.484 273 2H5* G 26 1H5* G 26 -1.296 -25.414 -7.675 274 H4* G 26 H4* G 26 0.793 -25.166 -6.177 275 H3* G 26 H3* G 26 -1.774 -23.565 -5.857 276 H2* G 26 H2* G 26 -0.838 -22.464 -4.015 277 2HO* G 26 HO2* G 26 0.202 -23.604 -2.573 278 H1* G 26 H1* G 26 1.875 -22.608 -4.832 279 H8 G 26 H8 G 26 -0.511 -20.956 -7.264 280 H1 G 26 H1 G 26 1.475 -17.038 -2.646 281 1H2 G 26 1H2 G 26 2.582 -18.187 -1.106 282 2H2 G 26 2H2 G 26 2.828 -19.914 -1.217 283 1H5* U 27 2H5* U 27 0.201 -25.675 -1.925 284 2H5* U 27 1H5* U 27 -1.308 -26.288 -1.220 285 H4* U 27 H4* U 27 0.133 -25.245 0.499 286 H3* U 27 H3* U 27 -2.536 -23.982 -0.193 287 H2* U 27 H2* U 27 -2.164 -22.295 1.434 288 2HO* U 27 HO2* U 27 -0.244 -24.134 2.401 289 H1* U 27 H1* U 27 0.447 -21.796 0.870 290 H3 U 27 H3 U 27 -1.660 -18.194 -0.837 291 H5 U 27 H5 U 27 -2.681 -21.300 -3.497 292 H6 U 27 H6 U 27 -1.580 -22.858 -1.995 293 1H5* A 28 2H5* A 28 -1.784 -23.454 4.115 294 2H5* A 28 1H5* A 28 -3.303 -23.992 4.856 295 H4* A 28 H4* A 28 -2.567 -21.659 5.513 296 H3* A 28 H3* A 28 -5.240 -22.364 4.316 297 H2* A 28 H2* A 28 -5.820 -20.157 3.975 298 2HO* A 28 HO2* A 28 -4.122 -19.491 6.170 299 H1* A 28 H1* A 28 -3.215 -18.962 4.114 300 H8 A 28 H8 A 28 -4.063 -21.283 1.237 301 1H6 A 28 1H6 A 28 -5.978 -16.284 -1.815 302 2H6 A 28 2H6 A 28 -5.632 -17.994 -1.938 303 H2 A 28 H2 A 28 -5.117 -15.071 2.425 304 1H5* U 29 2H5* U 29 -4.971 -19.236 7.691 305 2H5* U 29 1H5* U 29 -6.140 -19.803 8.899 306 H4* U 29 H4* U 29 -6.410 -17.442 8.854 307 H3* U 29 H3* U 29 -8.503 -18.903 7.208 308 H2* U 29 H2* U 29 -9.494 -16.833 6.663 309 2HO* U 29 HO2* U 29 -8.849 -14.885 7.790 310 H1* U 29 H1* U 29 -7.199 -15.375 6.317 311 H3 U 29 H3 U 29 -9.030 -15.646 2.184 312 H5 U 29 H5 U 29 -7.576 -19.530 2.909 313 H6 U 29 H6 U 29 -7.047 -18.839 5.178 314 1H5* C 30 2H5* C 30 -9.980 -15.309 9.535 315 2H5* C 30 1H5* C 30 -11.604 -15.761 10.086 316 H4* C 30 H4* C 30 -11.443 -13.588 8.753 317 H3* C 30 H3* C 30 -13.262 -15.886 7.916 318 H2* C 30 H2* C 30 -14.097 -14.483 6.198 319 2HO* C 30 HO2* C 30 -12.781 -12.155 6.797 320 H1* C 30 H1* C 30 -11.687 -13.250 5.571 321 1H4 C 30 1H4 C 30 -12.705 -17.597 1.036 322 2H4 C 30 2H4 C 30 -12.243 -18.879 2.130 323 H5 C 30 H5 C 30 -11.721 -18.510 4.449 324 H6 C 30 H6 C 30 -11.540 -16.838 6.228 325 1H5* U 31 2H5* U 31 -15.150 -12.418 7.004 326 2H5* U 31 1H5* U 31 -16.780 -12.447 7.705 327 H4* U 31 H4* U 31 -16.957 -12.047 5.309 328 H3* U 31 H3* U 31 -17.804 -14.808 6.268 329 H2* U 31 H2* U 31 -18.347 -15.374 4.070 330 2HO* U 31 HO2* U 31 -19.469 -14.009 2.913 331 H1* U 31 H1* U 31 -16.516 -13.629 2.767 332 H3 U 31 H3 U 31 -15.885 -17.680 0.846 333 H5 U 31 H5 U 31 -14.543 -18.210 4.799 334 H6 U 31 H6 U 31 -15.331 -15.976 5.301 335 1H5* C 32 2H5* C 32 -20.613 -12.459 3.522 336 2H5* C 32 1H5* C 32 -22.258 -12.761 4.119 337 H4* C 32 H4* C 32 -22.085 -13.012 1.647 338 H3* C 32 H3* C 32 -22.701 -15.448 3.347 339 H2* C 32 H2* C 32 -22.955 -16.721 1.410 340 2HO* C 32 HO2* C 32 -23.054 -15.506 -0.700 341 H1* C 32 H1* C 32 -21.021 -15.359 -0.130 342 1H4 C 32 1H4 C 32 -18.542 -21.047 1.241 343 2H4 C 32 2H4 C 32 -18.246 -20.552 2.894 344 H5 C 32 H5 C 32 -18.953 -18.422 3.781 345 H6 C 32 H6 C 32 -20.101 -16.321 3.273 346 H3T C 32 H3T C 32 -24.107 -13.422 1.960 347 1H GLY 364 1HT GLY 364 -11.455 3.934 -22.888 348 2H GLY 364 2HT GLY 364 -12.520 4.099 -21.584 349 3H GLY 364 3HT GLY 364 -11.157 3.107 -21.441 350 1HA GLY 364 1HA GLY 364 -10.057 5.475 -22.133 351 2HA GLY 364 2HA GLY 364 -11.406 5.958 -21.115 352 H SER 365 H SER 365 -8.711 3.630 -21.186 353 HA SER 365 HA SER 365 -8.663 3.469 -18.304 354 1HB SER 365 2HB SER 365 -8.065 1.440 -19.292 355 2HB SER 365 1HB SER 365 -7.069 2.220 -20.522 356 HG SER 365 HG SER 365 -6.234 1.166 -18.304 357 H LEU 366 H LEU 366 -8.411 5.980 -18.484 358 HA LEU 366 HA LEU 366 -6.389 7.509 -19.161 359 1HB LEU 366 2HB LEU 366 -8.201 7.526 -17.011 360 2HB LEU 366 1HB LEU 366 -6.630 7.887 -16.321 361 HG LEU 366 HG LEU 366 -7.507 9.986 -16.824 362 1HD1 LEU 366 1HD1 LEU 366 -6.262 10.017 -19.411 363 2HD1 LEU 366 2HD1 LEU 366 -5.313 9.047 -18.284 364 3HD1 LEU 366 3HD1 LEU 366 -5.707 10.720 -17.891 365 1HD2 LEU 366 1HD2 LEU 366 -8.322 10.288 -19.345 366 2HD2 LEU 366 2HD2 LEU 366 -9.408 9.784 -18.050 367 3HD2 LEU 366 3HD2 LEU 366 -8.711 8.581 -19.136 368 H ASP 367 H ASP 367 -6.121 5.217 -16.468 369 HA ASP 367 HA ASP 367 -3.943 5.432 -15.157 370 1HB ASP 367 2HB ASP 367 -3.858 3.000 -16.907 371 2HB ASP 367 1HB ASP 367 -3.524 3.143 -15.184 372 H MET 368 H MET 368 -3.549 4.418 -18.552 373 HA MET 368 HA MET 368 -0.834 4.524 -18.799 374 1HB MET 368 2HB MET 368 -1.508 5.616 -21.173 375 2HB MET 368 1HB MET 368 -1.701 3.908 -20.804 376 1HG MET 368 2HG MET 368 -3.928 4.018 -20.875 377 2HG MET 368 1HG MET 368 -3.976 5.550 -20.003 378 1HE MET 368 1HE MET 368 -3.125 8.065 -22.930 379 2HE MET 368 2HE MET 368 -2.110 7.334 -21.685 380 3HE MET 368 3HE MET 368 -3.696 7.984 -21.263 381 H ASN 369 H ASN 369 -2.961 7.288 -19.575 382 HA ASN 369 HA ASN 369 -0.991 9.218 -19.823 383 1HB ASN 369 2HB ASN 369 -3.859 9.156 -19.572 384 2HB ASN 369 1HB ASN 369 -3.210 10.485 -18.617 385 1HD2 ASN 369 1HD2 ASN 369 -1.702 9.235 -21.514 386 2HD2 ASN 369 2HD2 ASN 369 -1.994 10.623 -22.493 387 H ALA 370 H ALA 370 -2.482 7.871 -16.956 388 HA ALA 370 HA ALA 370 -1.684 9.768 -15.069 389 1HB ALA 370 1HB ALA 370 -2.884 7.218 -15.004 390 2HB ALA 370 2HB ALA 370 -2.736 8.386 -13.689 391 3HB ALA 370 3HB ALA 370 -1.493 7.156 -13.921 392 H LYS 371 H LYS 371 -0.164 6.568 -15.106 393 HA LYS 371 HA LYS 371 2.165 7.099 -13.877 394 1HB LYS 371 2HB LYS 371 3.135 5.481 -15.821 395 2HB LYS 371 1HB LYS 371 2.171 4.906 -14.466 396 1HG LYS 371 2HG LYS 371 0.312 4.572 -15.749 397 2HG LYS 371 1HG LYS 371 0.759 5.814 -16.914 398 1HD LYS 371 2HD LYS 371 1.819 4.346 -18.217 399 2HD LYS 371 1HD LYS 371 2.681 3.642 -16.849 400 1HE LYS 371 2HE LYS 371 0.053 2.876 -18.040 401 2HE LYS 371 1HE LYS 371 1.421 1.858 -17.598 402 1HZ LYS 371 1HZ LYS 371 -0.805 2.767 -15.984 403 2HZ LYS 371 2HZ LYS 371 0.701 2.837 -15.217 404 3HZ LYS 371 3HZ LYS 371 0.140 1.371 -15.841 405 H ARG 372 H ARG 372 1.497 7.702 -17.292 406 HA ARG 372 HA ARG 372 3.997 8.650 -18.079 407 1HB ARG 372 2HB ARG 372 1.699 8.199 -19.371 408 2HB ARG 372 1HB ARG 372 1.560 9.942 -19.199 409 1HG ARG 372 2HG ARG 372 4.142 8.932 -20.217 410 2HG ARG 372 1HG ARG 372 2.741 8.751 -21.280 411 1HD ARG 372 2HD ARG 372 2.359 11.056 -21.365 412 2HD ARG 372 1HD ARG 372 3.338 11.364 -19.933 413 HE ARG 372 HE ARG 372 5.112 10.359 -21.725 414 1HH1 ARG 372 1HH1 ARG 372 2.810 12.970 -21.798 415 2HH1 ARG 372 2HH1 ARG 372 3.743 13.934 -22.894 416 1HH2 ARG 372 1HH2 ARG 372 6.350 11.621 -23.168 417 2HH2 ARG 372 2HH2 ARG 372 5.754 13.167 -23.674 418 H GLN 373 H GLN 373 1.196 10.413 -16.787 419 HA GLN 373 HA GLN 373 2.248 12.989 -16.922 420 1HB GLN 373 2HB GLN 373 -0.078 11.800 -15.938 421 2HB GLN 373 1HB GLN 373 0.637 12.583 -14.535 422 1HG GLN 373 2HG GLN 373 -0.264 13.820 -17.112 423 2HG GLN 373 1HG GLN 373 -0.802 14.171 -15.470 424 1HE2 GLN 373 1HE2 GLN 373 1.768 14.278 -14.284 425 2HE2 GLN 373 2HE2 GLN 373 2.546 15.715 -14.844 426 H LEU 374 H LEU 374 2.454 10.578 -14.351 427 HA LEU 374 HA LEU 374 3.700 12.133 -12.420 428 1HB LEU 374 2HB LEU 374 4.409 9.254 -12.654 429 2HB LEU 374 1HB LEU 374 4.011 10.195 -11.228 430 HG LEU 374 HG LEU 374 2.167 8.923 -13.217 431 1HD1 LEU 374 1HD1 LEU 374 1.043 8.428 -10.914 432 2HD1 LEU 374 2HD1 LEU 374 2.641 8.813 -10.274 433 3HD1 LEU 374 3HD1 LEU 374 2.449 7.500 -11.435 434 1HD2 LEU 374 1HD2 LEU 374 1.770 11.461 -11.783 435 2HD2 LEU 374 2HD2 LEU 374 0.461 10.289 -11.634 436 3HD2 LEU 374 3HD2 LEU 374 0.979 10.834 -13.229 437 H TYR 375 H TYR 375 5.434 9.598 -14.258 438 HA TYR 375 HA TYR 375 7.935 10.889 -13.629 439 1HB TYR 375 2HB TYR 375 7.113 8.303 -14.836 440 2HB TYR 375 1HB TYR 375 8.727 8.900 -15.211 441 HD1 TYR 375 HD1 TYR 375 10.101 7.413 -14.020 442 HD2 TYR 375 HD2 TYR 375 6.845 9.295 -12.035 443 HE1 TYR 375 HE1 TYR 375 10.928 6.558 -11.868 444 HE2 TYR 375 HE2 TYR 375 7.663 8.446 -9.875 445 HH TYR 375 HH TYR 375 10.057 7.718 -8.975 446 H SER 376 H SER 376 5.923 10.579 -16.490 447 HA SER 376 HA SER 376 7.983 11.577 -18.237 448 1HB SER 376 2HB SER 376 5.873 10.022 -18.733 449 2HB SER 376 1HB SER 376 5.142 11.582 -19.113 450 HG SER 376 HG SER 376 7.275 11.814 -20.369 451 H LEU 377 H LEU 377 5.428 13.005 -16.336 452 HA LEU 377 HA LEU 377 5.988 15.575 -17.670 453 1HB LEU 377 2HB LEU 377 3.482 14.354 -16.712 454 2HB LEU 377 1HB LEU 377 3.668 16.065 -16.384 455 HG LEU 377 HG LEU 377 2.460 15.425 -18.533 456 1HD1 LEU 377 1HD1 LEU 377 3.399 17.673 -18.005 457 2HD1 LEU 377 2HD1 LEU 377 3.350 17.295 -19.727 458 3HD1 LEU 377 3HD1 LEU 377 4.874 17.197 -18.846 459 1HD2 LEU 377 1HD2 LEU 377 4.013 13.640 -19.204 460 2HD2 LEU 377 2HD2 LEU 377 5.282 14.844 -19.426 461 3HD2 LEU 377 3HD2 LEU 377 3.846 14.878 -20.448 462 H ILE 378 H ILE 378 6.100 13.862 -14.701 463 HA ILE 378 HA ILE 378 7.115 16.267 -13.388 464 HB ILE 378 HB ILE 378 5.279 14.534 -11.791 465 1HG1 ILE 378 2HG1 ILE 378 4.121 15.275 -13.938 466 2HG1 ILE 378 1HG1 ILE 378 3.341 15.744 -12.429 467 1HG2 ILE 378 1HG2 ILE 378 6.161 16.017 -10.334 468 2HG2 ILE 378 2HG2 ILE 378 4.892 17.065 -10.968 469 3HG2 ILE 378 3HG2 ILE 378 6.536 17.194 -11.593 470 1HD1 ILE 378 1HD1 ILE 378 5.254 17.659 -13.630 471 2HD1 ILE 378 2HD1 ILE 378 3.756 17.949 -12.743 472 3HD1 ILE 378 3HD1 ILE 378 3.698 17.437 -14.429 473 H GLY 379 H GLY 379 8.646 14.203 -14.362 474 1HA GLY 379 2HA GLY 379 9.983 13.348 -11.971 475 2HA GLY 379 1HA GLY 379 9.197 12.020 -12.810 476 H TYR 380 H TYR 380 11.218 14.836 -13.677 477 HA TYR 380 HA TYR 380 12.363 13.594 -15.931 478 1HB TYR 380 2HB TYR 380 14.107 15.399 -15.743 479 2HB TYR 380 1HB TYR 380 12.446 15.976 -15.796 480 HD1 TYR 380 HD1 TYR 380 15.512 15.885 -13.900 481 HD2 TYR 380 HD2 TYR 380 11.349 16.734 -13.665 482 HE1 TYR 380 HE1 TYR 380 15.894 17.167 -11.838 483 HE2 TYR 380 HE2 TYR 380 11.721 18.018 -11.601 484 HH TYR 380 HH TYR 380 13.769 17.866 -9.682 485 H ALA 381 H ALA 381 13.787 14.209 -12.713 486 HA ALA 381 HA ALA 381 14.819 11.744 -12.211 487 1HB ALA 381 1HB ALA 381 16.182 12.850 -14.439 488 2HB ALA 381 2HB ALA 381 16.467 11.314 -13.623 489 3HB ALA 381 3HB ALA 381 17.311 12.768 -13.087 490 H SER 382 H SER 382 14.007 14.236 -10.907 491 HA SER 382 HA SER 382 15.842 14.185 -8.750 492 1HB SER 382 2HB SER 382 16.806 15.764 -10.706 493 2HB SER 382 1HB SER 382 15.779 16.931 -9.874 494 HG SER 382 HG SER 382 17.058 15.675 -7.984 495 H LEU 383 H LEU 383 12.972 13.994 -9.363 496 HA LEU 383 HA LEU 383 11.937 16.251 -7.779 497 1HB LEU 383 2HB LEU 383 11.033 15.238 -10.166 498 2HB LEU 383 1HB LEU 383 9.994 14.432 -9.003 499 HG LEU 383 HG LEU 383 10.292 17.348 -8.643 500 1HD1 LEU 383 1HD1 LEU 383 9.981 17.753 -10.839 501 2HD1 LEU 383 2HD1 LEU 383 8.302 17.376 -10.448 502 3HD1 LEU 383 3HD1 LEU 383 9.341 16.140 -11.157 503 1HD2 LEU 383 1HD2 LEU 383 7.826 17.101 -8.300 504 2HD2 LEU 383 2HD2 LEU 383 8.823 16.154 -7.197 505 3HD2 LEU 383 3HD2 LEU 383 8.025 15.368 -8.558 506 H ARG 384 H ARG 384 13.287 13.685 -6.925 507 HA ARG 384 HA ARG 384 12.856 11.803 -5.604 508 1HB ARG 384 2HB ARG 384 12.892 14.337 -4.303 509 2HB ARG 384 1HB ARG 384 11.775 13.290 -3.436 510 1HG ARG 384 2HG ARG 384 14.660 12.702 -4.063 511 2HG ARG 384 1HG ARG 384 13.984 13.113 -2.485 512 1HD ARG 384 2HD ARG 384 12.542 11.070 -2.677 513 2HD ARG 384 1HD ARG 384 13.459 10.637 -4.120 514 HE ARG 384 HE ARG 384 15.280 11.083 -2.060 515 1HH1 ARG 384 1HH1 ARG 384 12.712 8.868 -2.847 516 2HH1 ARG 384 2HH1 ARG 384 13.415 7.542 -1.983 517 1HH2 ARG 384 1HH2 ARG 384 16.218 9.349 -0.923 518 2HH2 ARG 384 2HH2 ARG 384 15.413 7.815 -0.889 519 H LEU 385 H LEU 385 10.627 12.099 -7.333 520 HA LEU 385 HA LEU 385 8.189 12.117 -5.906 521 1HB LEU 385 2HB LEU 385 8.797 12.253 -8.516 522 2HB LEU 385 1HB LEU 385 8.359 10.558 -8.413 523 HG LEU 385 HG LEU 385 6.485 12.533 -7.222 524 1HD1 LEU 385 1HD1 LEU 385 6.483 12.006 -10.173 525 2HD1 LEU 385 2HD1 LEU 385 7.252 13.424 -9.461 526 3HD1 LEU 385 3HD1 LEU 385 5.519 13.167 -9.262 527 1HD2 LEU 385 1HD2 LEU 385 6.499 9.782 -7.886 528 2HD2 LEU 385 2HD2 LEU 385 5.291 10.574 -8.898 529 3HD2 LEU 385 3HD2 LEU 385 5.206 10.725 -7.142 530 H HIS 386 H HIS 386 7.156 10.595 -4.808 531 HA HIS 386 HA HIS 386 7.544 7.808 -5.282 532 1HB HIS 386 2HB HIS 386 8.663 7.196 -3.230 533 2HB HIS 386 1HB HIS 386 9.660 8.347 -4.112 534 HD1 HIS 386 HD1 HIS 386 10.613 10.114 -2.681 535 HD2 HIS 386 HD2 HIS 386 7.016 8.686 -1.166 536 HE1 HIS 386 HE1 HIS 386 10.253 11.354 -0.522 537 HE2 HIS 386 HE2 HIS 386 8.054 10.497 0.360 538 H TYR 387 H TYR 387 5.870 6.678 -4.586 539 HA TYR 387 HA TYR 387 3.810 8.037 -3.057 540 1HB TYR 387 2HB TYR 387 3.942 5.361 -4.459 541 2HB TYR 387 1HB TYR 387 2.574 5.833 -3.458 542 HD1 TYR 387 HD1 TYR 387 0.799 6.974 -4.417 543 HD2 TYR 387 HD2 TYR 387 4.570 6.992 -6.384 544 HE1 TYR 387 HE1 TYR 387 -0.218 8.115 -6.341 545 HE2 TYR 387 HE2 TYR 387 3.566 8.133 -8.314 546 HH TYR 387 HH TYR 387 0.247 9.285 -8.249 547 H VAL 388 H VAL 388 2.649 6.241 -1.514 548 HA VAL 388 HA VAL 388 4.500 4.611 -0.078 549 HB VAL 388 HB VAL 388 3.537 6.174 2.044 550 1HG1 VAL 388 1HG1 VAL 388 5.718 4.815 1.504 551 2HG1 VAL 388 2HG1 VAL 388 5.733 6.124 2.690 552 3HG1 VAL 388 3HG1 VAL 388 6.335 6.406 1.054 553 1HG2 VAL 388 1HG2 VAL 388 4.555 8.368 1.559 554 2HG2 VAL 388 2HG2 VAL 388 3.165 8.024 0.530 555 3HG2 VAL 388 3HG2 VAL 388 4.798 7.865 -0.113 556 H THR 389 H THR 389 3.352 2.896 0.187 557 HA THR 389 HA THR 389 0.499 2.923 0.383 558 HB THR 389 HB THR 389 2.582 0.769 0.459 559 HG1 THR 389 HG1 THR 389 0.800 0.084 -1.208 560 1HG2 THR 389 1HG2 THR 389 -0.297 0.508 1.282 561 2HG2 THR 389 2HG2 THR 389 1.143 -0.107 2.094 562 3HG2 THR 389 3HG2 THR 389 0.595 -0.848 0.590 563 H VAL 390 H VAL 390 -0.588 3.391 2.151 564 HA VAL 390 HA VAL 390 0.494 2.508 4.742 565 HB VAL 390 HB VAL 390 -0.421 4.484 5.816 566 1HG1 VAL 390 1HG1 VAL 390 1.114 5.607 3.516 567 2HG1 VAL 390 2HG1 VAL 390 1.879 4.418 4.572 568 3HG1 VAL 390 3HG1 VAL 390 1.273 5.933 5.242 569 1HG2 VAL 390 1HG2 VAL 390 -1.100 5.562 3.088 570 2HG2 VAL 390 2HG2 VAL 390 -1.499 6.250 4.663 571 3HG2 VAL 390 3HG2 VAL 390 -2.278 4.762 4.128 572 H LYS 391 H LYS 391 -1.048 1.902 6.312 573 HA LYS 391 HA LYS 391 -3.060 1.163 7.126 574 1HB LYS 391 2HB LYS 391 -3.853 3.077 5.342 575 2HB LYS 391 1HB LYS 391 -4.637 1.643 4.694 576 1HG LYS 391 2HG LYS 391 -5.008 2.935 7.372 577 2HG LYS 391 1HG LYS 391 -6.213 2.591 6.130 578 1HD LYS 391 2HD LYS 391 -6.621 0.583 6.999 579 2HD LYS 391 1HD LYS 391 -4.906 0.165 6.960 580 1HE LYS 391 2HE LYS 391 -4.532 1.080 9.102 581 2HE LYS 391 1HE LYS 391 -6.088 1.908 9.103 582 1HZ LYS 391 1HZ LYS 391 -6.059 -0.095 10.503 583 2HZ LYS 391 2HZ LYS 391 -5.750 -1.041 9.136 584 3HZ LYS 391 3HZ LYS 391 -7.209 -0.194 9.265 585 H LYS 392 H LYS 392 -1.284 -0.573 6.125 586 HA LYS 392 HA LYS 392 -1.608 -2.242 4.095 587 1HB LYS 392 2HB LYS 392 -1.402 -3.213 6.952 588 2HB LYS 392 1HB LYS 392 -0.934 -4.116 5.517 589 1HG LYS 392 2HG LYS 392 0.745 -2.336 5.034 590 2HG LYS 392 1HG LYS 392 0.345 -1.615 6.595 591 1HD LYS 392 2HD LYS 392 1.189 -3.448 7.785 592 2HD LYS 392 1HD LYS 392 1.176 -4.492 6.362 593 1HE LYS 392 2HE LYS 392 2.836 -2.527 5.528 594 2HE LYS 392 1HE LYS 392 3.175 -2.524 7.258 595 1HZ LYS 392 1HZ LYS 392 4.594 -4.036 5.886 596 2HZ LYS 392 2HZ LYS 392 3.222 -4.986 5.608 597 3HZ LYS 392 3HZ LYS 392 3.806 -4.785 7.182 598 HA PRO 393 HA PRO 393 -5.881 -3.444 3.913 599 1HB PRO 393 2HB PRO 393 -5.434 -5.696 2.350 600 2HB PRO 393 1HB PRO 393 -5.688 -4.061 1.738 601 1HG PRO 393 2HG PRO 393 -3.143 -5.560 2.157 602 2HG PRO 393 1HG PRO 393 -3.584 -4.435 0.859 603 1HD PRO 393 2HD PRO 393 -1.961 -3.700 2.869 604 2HD PRO 393 1HD PRO 393 -3.126 -2.567 2.152 605 H THR 394 H THR 394 -6.917 -5.863 3.854 606 HA THR 394 HA THR 394 -5.689 -7.769 5.574 607 HB THR 394 HB THR 394 -6.357 -7.167 7.610 608 HG1 THR 394 HG1 THR 394 -8.933 -6.352 7.237 609 1HG2 THR 394 1HG2 THR 394 -7.470 -4.892 7.905 610 2HG2 THR 394 2HG2 THR 394 -7.366 -4.739 6.151 611 3HG2 THR 394 3HG2 THR 394 -5.896 -4.913 7.109 612 H ALA 395 H ALA 395 -7.300 -9.498 6.241 613 HA ALA 395 HA ALA 395 -8.801 -10.246 3.941 614 1HB ALA 395 1HB ALA 395 -7.999 -11.510 6.444 615 2HB ALA 395 2HB ALA 395 -8.189 -12.201 4.831 616 3HB ALA 395 3HB ALA 395 -9.594 -12.008 5.881 617 H VAL 396 H VAL 396 -9.513 -8.246 6.534 618 HA VAL 396 HA VAL 396 -12.389 -8.486 5.986 619 HB VAL 396 HB VAL 396 -12.902 -7.879 8.299 620 1HG1 VAL 396 1HG1 VAL 396 -12.274 -9.982 9.387 621 2HG1 VAL 396 2HG1 VAL 396 -11.100 -10.288 8.108 622 3HG1 VAL 396 3HG1 VAL 396 -12.821 -10.242 7.730 623 1HG2 VAL 396 1HG2 VAL 396 -11.309 -6.772 9.408 624 2HG2 VAL 396 2HG2 VAL 396 -10.023 -7.439 8.405 625 3HG2 VAL 396 3HG2 VAL 396 -10.640 -8.362 9.775 626 H ASP 397 H ASP 397 -9.935 -6.761 5.273 627 HA ASP 397 HA ASP 397 -11.367 -4.328 4.973 628 1HB ASP 397 2HB ASP 397 -9.898 -4.580 7.358 629 2HB ASP 397 1HB ASP 397 -8.923 -3.556 6.307 630 HA PRO 398 HA PRO 398 -7.939 -5.747 1.968 631 1HB PRO 398 2HB PRO 398 -10.233 -5.212 0.153 632 2HB PRO 398 1HB PRO 398 -9.040 -6.514 0.113 633 1HG PRO 398 2HG PRO 398 -11.522 -6.971 0.959 634 2HG PRO 398 1HG PRO 398 -10.133 -7.750 1.737 635 1HD PRO 398 2HD PRO 398 -11.798 -5.463 2.679 636 2HD PRO 398 1HD PRO 398 -11.037 -6.768 3.608 637 H ASN 399 H ASN 399 -10.078 -3.037 2.334 638 HA ASN 399 HA ASN 399 -9.102 -1.412 0.294 639 1HB ASN 399 2HB ASN 399 -10.242 0.385 1.395 640 2HB ASN 399 1HB ASN 399 -11.229 -1.060 1.587 641 1HD2 ASN 399 1HD2 ASN 399 -11.685 0.997 3.226 642 2HD2 ASN 399 2HD2 ASN 399 -11.121 0.647 4.818 643 H SER 400 H SER 400 -7.504 0.045 0.199 644 HA SER 400 HA SER 400 -5.819 0.472 2.555 645 1HB SER 400 2HB SER 400 -4.821 -1.345 1.127 646 2HB SER 400 1HB SER 400 -4.687 -0.167 -0.179 647 HG SER 400 HG SER 400 -3.363 -0.195 2.316 648 H ILE 401 H ILE 401 -4.380 2.362 2.297 649 HA ILE 401 HA ILE 401 -5.417 4.295 0.342 650 HB ILE 401 HB ILE 401 -6.402 4.786 2.487 651 1HG1 ILE 401 2HG1 ILE 401 -5.725 7.102 2.719 652 2HG1 ILE 401 1HG1 ILE 401 -4.177 6.763 1.952 653 1HG2 ILE 401 1HG2 ILE 401 -5.376 4.503 4.417 654 2HG2 ILE 401 2HG2 ILE 401 -4.071 5.593 3.950 655 3HG2 ILE 401 3HG2 ILE 401 -3.994 3.885 3.518 656 1HD1 ILE 401 1HD1 ILE 401 -6.562 7.615 0.747 657 2HD1 ILE 401 2HD1 ILE 401 -6.282 5.960 0.206 658 3HD1 ILE 401 3HD1 ILE 401 -5.040 7.188 -0.031 659 H VAL 402 H VAL 402 -3.843 4.789 -0.984 660 HA VAL 402 HA VAL 402 -1.064 4.513 -0.319 661 HB VAL 402 HB VAL 402 -2.011 5.899 -2.797 662 1HG1 VAL 402 1HG1 VAL 402 0.322 4.308 -1.925 663 2HG1 VAL 402 2HG1 VAL 402 0.236 5.715 -2.985 664 3HG1 VAL 402 3HG1 VAL 402 -0.191 4.120 -3.603 665 1HG2 VAL 402 1HG2 VAL 402 -2.093 3.379 -3.660 666 2HG2 VAL 402 2HG2 VAL 402 -3.519 4.223 -3.057 667 3HG2 VAL 402 3HG2 VAL 402 -2.639 3.116 -2.005 668 H GLU 403 H GLU 403 0.489 6.301 -0.783 669 HA GLU 403 HA GLU 403 -0.621 8.960 -0.200 670 1HB GLU 403 2HB GLU 403 1.261 7.398 1.439 671 2HB GLU 403 1HB GLU 403 1.759 9.055 1.123 672 1HG GLU 403 2HG GLU 403 -1.036 8.669 1.975 673 2HG GLU 403 1HG GLU 403 0.210 8.350 3.181 674 H CYS 404 H CYS 404 -0.220 10.024 -1.992 675 HA CYS 404 HA CYS 404 2.225 9.595 -3.497 676 1HB CYS 404 2HB CYS 404 -0.226 10.119 -4.380 677 2HB CYS 404 1HB CYS 404 0.294 11.784 -4.139 678 HG CYS 404 HG CYS 404 0.796 10.643 -6.598 679 H ARG 405 H ARG 405 4.002 10.521 -2.685 680 HA ARG 405 HA ARG 405 3.836 13.367 -2.012 681 1HB ARG 405 2HB ARG 405 4.545 13.183 0.133 682 2HB ARG 405 1HB ARG 405 3.766 11.610 0.002 683 1HG ARG 405 2HG ARG 405 6.099 10.777 -0.729 684 2HG ARG 405 1HG ARG 405 6.680 12.284 -0.020 685 1HD ARG 405 2HD ARG 405 5.948 9.844 1.278 686 2HD ARG 405 1HD ARG 405 6.656 11.302 1.971 687 HE ARG 405 HE ARG 405 3.934 10.463 2.153 688 1HH1 ARG 405 1HH1 ARG 405 6.004 13.258 2.023 689 2HH1 ARG 405 2HH1 ARG 405 4.901 14.277 2.887 690 1HH2 ARG 405 1HH2 ARG 405 2.470 11.794 3.285 691 2HH2 ARG 405 2HH2 ARG 405 2.891 13.443 3.607 692 H VAL 406 H VAL 406 5.795 14.511 -2.173 693 HA VAL 406 HA VAL 406 7.915 13.085 -3.643 694 HB VAL 406 HB VAL 406 8.218 15.615 -4.530 695 1HG1 VAL 406 1HG1 VAL 406 6.660 14.764 -6.467 696 2HG1 VAL 406 2HG1 VAL 406 6.716 13.259 -5.546 697 3HG1 VAL 406 3HG1 VAL 406 8.211 13.986 -6.141 698 1HG2 VAL 406 1HG2 VAL 406 5.272 15.215 -4.062 699 2HG2 VAL 406 2HG2 VAL 406 5.952 16.440 -5.135 700 3HG2 VAL 406 3HG2 VAL 406 6.289 16.498 -3.404 701 H GLY 407 H GLY 407 9.864 13.193 -2.786 702 1HA GLY 407 2HA GLY 407 10.698 13.937 -0.424 703 2HA GLY 407 1HA GLY 407 11.733 14.206 -1.814 704 H ASP 408 H ASP 408 10.129 16.328 -2.958 705 HA ASP 408 HA ASP 408 11.309 18.547 -1.795 706 1HB ASP 408 2HB ASP 408 10.251 18.446 -4.078 707 2HB ASP 408 1HB ASP 408 8.680 18.568 -3.291 708 H GLY 409 H GLY 409 8.576 16.750 -0.819 709 1HA GLY 409 2HA GLY 409 7.730 16.925 1.401 710 2HA GLY 409 1HA GLY 409 8.131 18.637 1.384 711 H THR 410 H THR 410 6.378 16.718 -1.029 712 HA THR 410 HA THR 410 3.933 18.211 -0.374 713 HB THR 410 HB THR 410 5.247 18.067 -3.080 714 HG1 THR 410 HG1 THR 410 4.906 19.986 -1.201 715 1HG2 THR 410 1HG2 THR 410 2.425 18.981 -2.534 716 2HG2 THR 410 2HG2 THR 410 2.844 17.425 -3.252 717 3HG2 THR 410 3HG2 THR 410 3.247 18.921 -4.095 718 H VAL 411 H VAL 411 2.116 17.039 -0.438 719 HA VAL 411 HA VAL 411 2.310 14.230 -1.243 720 HB VAL 411 HB VAL 411 0.057 15.632 0.198 721 1HG1 VAL 411 1HG1 VAL 411 0.655 12.746 -0.394 722 2HG1 VAL 411 2HG1 VAL 411 -0.790 13.671 -0.798 723 3HG1 VAL 411 3HG1 VAL 411 -0.459 13.242 0.880 724 1HG2 VAL 411 1HG2 VAL 411 1.291 13.946 1.995 725 2HG2 VAL 411 2HG2 VAL 411 1.449 15.702 1.941 726 3HG2 VAL 411 3HG2 VAL 411 2.641 14.683 1.134 727 H LEU 412 H LEU 412 2.216 14.491 -3.516 728 HA LEU 412 HA LEU 412 0.455 16.010 -4.975 729 1HB LEU 412 2HB LEU 412 1.327 13.237 -5.751 730 2HB LEU 412 1HB LEU 412 0.851 14.535 -6.826 731 HG LEU 412 HG LEU 412 3.043 14.909 -7.069 732 1HD1 LEU 412 1HD1 LEU 412 3.856 16.591 -5.775 733 2HD1 LEU 412 2HD1 LEU 412 3.401 15.801 -4.265 734 3HD1 LEU 412 3HD1 LEU 412 2.178 16.617 -5.235 735 1HD2 LEU 412 1HD2 LEU 412 3.584 13.480 -4.470 736 2HD2 LEU 412 2HD2 LEU 412 4.768 13.913 -5.702 737 3HD2 LEU 412 3HD2 LEU 412 3.524 12.714 -6.057 738 H GLY 413 H GLY 413 -0.393 13.407 -2.936 739 1HA GLY 413 2HA GLY 413 -3.046 13.669 -2.983 740 2HA GLY 413 1HA GLY 413 -2.791 12.760 -4.464 741 H THR 414 H THR 414 -4.231 11.257 -3.329 742 HA THR 414 HA THR 414 -2.643 9.300 -1.852 743 HB THR 414 HB THR 414 -5.118 9.090 -0.644 744 HG1 THR 414 HG1 THR 414 -5.952 11.021 -0.409 745 1HG2 THR 414 1HG2 THR 414 -3.799 9.057 1.154 746 2HG2 THR 414 2HG2 THR 414 -3.349 10.746 0.919 747 3HG2 THR 414 3HG2 THR 414 -2.451 9.473 0.095 748 H GLY 415 H GLY 415 -4.051 7.222 -1.581 749 1HA GLY 415 2HA GLY 415 -5.902 6.874 -3.824 750 2HA GLY 415 1HA GLY 415 -4.452 5.884 -3.815 751 H VAL 416 H VAL 416 -7.617 6.319 -2.522 752 HA VAL 416 HA VAL 416 -7.209 4.064 -0.697 753 HB VAL 416 HB VAL 416 -8.208 6.108 0.294 754 1HG1 VAL 416 1HG1 VAL 416 -9.481 6.576 -1.923 755 2HG1 VAL 416 2HG1 VAL 416 -10.225 7.012 -0.384 756 3HG1 VAL 416 3HG1 VAL 416 -10.723 5.541 -1.220 757 1HG2 VAL 416 1HG2 VAL 416 -8.821 3.547 0.801 758 2HG2 VAL 416 2HG2 VAL 416 -10.424 4.149 0.382 759 3HG2 VAL 416 3HG2 VAL 416 -9.519 4.896 1.697 760 H GLY 417 H GLY 417 -8.868 2.388 -0.662 761 1HA GLY 417 2HA GLY 417 -10.982 2.127 -2.401 762 2HA GLY 417 1HA GLY 417 -9.587 1.634 -3.344 763 H ARG 418 H ARG 418 -12.048 0.241 -2.132 764 HA ARG 418 HA ARG 418 -11.419 -1.559 -0.137 765 1HB ARG 418 2HB ARG 418 -12.856 -3.180 -1.739 766 2HB ARG 418 1HB ARG 418 -13.576 -1.908 -0.762 767 1HG ARG 418 2HG ARG 418 -13.995 -0.567 -2.563 768 2HG ARG 418 1HG ARG 418 -12.662 -1.232 -3.508 769 1HD ARG 418 2HD ARG 418 -14.567 -2.067 -4.565 770 2HD ARG 418 1HD ARG 418 -14.031 -3.401 -3.545 771 HE ARG 418 HE ARG 418 -15.813 -2.059 -1.990 772 1HH1 ARG 418 1HH1 ARG 418 -15.928 -3.440 -5.186 773 2HH1 ARG 418 2HH1 ARG 418 -17.622 -3.797 -5.111 774 1HH2 ARG 418 1HH2 ARG 418 -18.039 -2.522 -1.882 775 2HH2 ARG 418 2HH2 ARG 418 -18.822 -3.274 -3.231 776 H ASN 419 H ASN 419 -11.186 -2.377 -3.581 777 HA ASN 419 HA ASN 419 -9.174 -4.375 -3.003 778 1HB ASN 419 2HB ASN 419 -9.261 -4.666 -5.551 779 2HB ASN 419 1HB ASN 419 -10.729 -5.091 -4.677 780 1HD2 ASN 419 1HD2 ASN 419 -9.251 -2.914 -6.908 781 2HD2 ASN 419 2HD2 ASN 419 -10.688 -2.074 -7.371 782 H ILE 420 H ILE 420 -7.520 -3.144 -2.304 783 HA ILE 420 HA ILE 420 -6.478 -0.853 -2.603 784 HB ILE 420 HB ILE 420 -4.308 -1.609 -2.426 785 1HG1 ILE 420 2HG1 ILE 420 -3.796 -4.051 -3.249 786 2HG1 ILE 420 1HG1 ILE 420 -5.191 -3.785 -4.290 787 1HG2 ILE 420 1HG2 ILE 420 -5.494 -4.203 -1.650 788 2HG2 ILE 420 2HG2 ILE 420 -6.263 -2.766 -0.971 789 3HG2 ILE 420 3HG2 ILE 420 -4.543 -3.062 -0.701 790 1HD1 ILE 420 1HD1 ILE 420 -2.484 -2.781 -4.516 791 2HD1 ILE 420 2HD1 ILE 420 -3.692 -1.500 -4.643 792 3HD1 ILE 420 3HD1 ILE 420 -3.759 -2.889 -5.729 793 H LYS 421 H LYS 421 -6.729 -2.872 -5.500 794 HA LYS 421 HA LYS 421 -5.041 -1.568 -7.227 795 1HB LYS 421 2HB LYS 421 -7.242 -3.280 -7.530 796 2HB LYS 421 1HB LYS 421 -7.608 -1.861 -8.511 797 1HG LYS 421 2HG LYS 421 -6.441 -3.564 -9.805 798 2HG LYS 421 1HG LYS 421 -5.486 -2.082 -9.659 799 1HD LYS 421 2HD LYS 421 -3.810 -3.319 -8.889 800 2HD LYS 421 1HD LYS 421 -4.785 -3.628 -7.451 801 1HE LYS 421 2HE LYS 421 -5.725 -5.612 -8.478 802 2HE LYS 421 1HE LYS 421 -4.852 -5.281 -9.974 803 1HZ LYS 421 1HZ LYS 421 -3.693 -6.943 -8.721 804 2HZ LYS 421 2HZ LYS 421 -3.656 -5.964 -7.342 805 3HZ LYS 421 3HZ LYS 421 -2.767 -5.527 -8.713 806 H ILE 422 H ILE 422 -8.422 -0.622 -6.572 807 HA ILE 422 HA ILE 422 -8.544 1.725 -8.010 808 HB ILE 422 HB ILE 422 -9.544 2.091 -5.262 809 1HG1 ILE 422 2HG1 ILE 422 -11.538 0.483 -6.061 810 2HG1 ILE 422 1HG1 ILE 422 -10.175 -0.383 -6.757 811 1HG2 ILE 422 1HG2 ILE 422 -11.577 2.748 -6.398 812 2HG2 ILE 422 2HG2 ILE 422 -10.915 2.188 -7.936 813 3HG2 ILE 422 3HG2 ILE 422 -10.171 3.552 -7.100 814 1HD1 ILE 422 1HD1 ILE 422 -10.265 -1.344 -4.709 815 2HD1 ILE 422 2HD1 ILE 422 -10.877 0.105 -3.923 816 3HD1 ILE 422 3HD1 ILE 422 -9.163 -0.013 -4.347 817 H ALA 423 H ALA 423 -7.080 1.033 -4.932 818 HA ALA 423 HA ALA 423 -6.287 3.625 -4.219 819 1HB ALA 423 1HB ALA 423 -4.467 1.627 -3.249 820 2HB ALA 423 2HB ALA 423 -6.136 1.047 -3.153 821 3HB ALA 423 3HB ALA 423 -5.681 2.560 -2.374 822 H GLY 424 H GLY 424 -4.738 1.113 -6.199 823 1HA GLY 424 2HA GLY 424 -2.235 2.481 -6.423 824 2HA GLY 424 1HA GLY 424 -2.804 1.177 -7.459 825 H ILE 425 H ILE 425 -4.699 1.902 -8.942 826 HA ILE 425 HA ILE 425 -3.738 3.754 -10.776 827 HB ILE 425 HB ILE 425 -6.531 2.730 -10.297 828 1HG1 ILE 425 2HG1 ILE 425 -5.962 1.701 -12.612 829 2HG1 ILE 425 1HG1 ILE 425 -4.296 2.108 -12.207 830 1HG2 ILE 425 1HG2 ILE 425 -7.365 4.357 -11.554 831 2HG2 ILE 425 2HG2 ILE 425 -6.387 3.768 -12.897 832 3HG2 ILE 425 3HG2 ILE 425 -5.757 5.026 -11.834 833 1HD1 ILE 425 1HD1 ILE 425 -6.017 0.487 -10.369 834 2HD1 ILE 425 2HD1 ILE 425 -4.259 0.630 -10.400 835 3HD1 ILE 425 3HD1 ILE 425 -5.096 -0.243 -11.683 836 H ARG 426 H ARG 426 -5.839 4.188 -7.996 837 HA ARG 426 HA ARG 426 -6.707 6.810 -8.525 838 1HB ARG 426 2HB ARG 426 -7.795 5.518 -6.816 839 2HB ARG 426 1HB ARG 426 -6.292 5.333 -5.924 840 1HG ARG 426 2HG ARG 426 -7.523 6.939 -4.755 841 2HG ARG 426 1HG ARG 426 -6.310 7.850 -5.657 842 1HD ARG 426 2HD ARG 426 -7.854 8.886 -6.922 843 2HD ARG 426 1HD ARG 426 -8.822 7.425 -7.103 844 HE ARG 426 HE ARG 426 -9.126 9.484 -5.098 845 1HH1 ARG 426 1HH1 ARG 426 -9.871 6.218 -6.052 846 2HH1 ARG 426 2HH1 ARG 426 -11.263 6.098 -5.028 847 1HH2 ARG 426 1HH2 ARG 426 -10.962 9.338 -3.749 848 2HH2 ARG 426 2HH2 ARG 426 -11.882 7.870 -3.718 849 H ALA 427 H ALA 427 -4.011 5.631 -6.506 850 HA ALA 427 HA ALA 427 -2.937 7.998 -5.672 851 1HB ALA 427 1HB ALA 427 -1.231 6.740 -4.967 852 2HB ALA 427 2HB ALA 427 -0.849 6.195 -6.601 853 3HB ALA 427 3HB ALA 427 -2.097 5.371 -5.666 854 H ALA 428 H ALA 428 -2.417 6.391 -8.800 855 HA ALA 428 HA ALA 428 -0.593 8.209 -9.890 856 1HB ALA 428 1HB ALA 428 -2.262 7.383 -12.000 857 2HB ALA 428 2HB ALA 428 -2.200 6.043 -10.858 858 3HB ALA 428 3HB ALA 428 -0.706 6.703 -11.522 859 H GLU 429 H GLU 429 -4.025 8.068 -10.867 860 HA GLU 429 HA GLU 429 -4.225 10.517 -12.040 861 1HB GLU 429 2HB GLU 429 -6.189 8.844 -10.528 862 2HB GLU 429 1HB GLU 429 -6.663 10.457 -11.041 863 1HG GLU 429 2HG GLU 429 -5.850 9.714 -13.369 864 2HG GLU 429 1HG GLU 429 -5.953 8.082 -12.711 865 H ASN 430 H ASN 430 -3.927 9.791 -8.674 866 HA ASN 430 HA ASN 430 -4.842 12.307 -7.689 867 1HB ASN 430 2HB ASN 430 -3.637 9.872 -6.571 868 2HB ASN 430 1HB ASN 430 -3.167 11.352 -5.737 869 1HD2 ASN 430 1HD2 ASN 430 -5.990 9.598 -6.938 870 2HD2 ASN 430 2HD2 ASN 430 -7.064 10.115 -5.688 871 H ALA 431 H ALA 431 -1.758 10.998 -8.735 872 HA ALA 431 HA ALA 431 -0.127 13.077 -7.738 873 1HB ALA 431 1HB ALA 431 1.368 12.288 -9.753 874 2HB ALA 431 2HB ALA 431 0.227 10.943 -9.779 875 3HB ALA 431 3HB ALA 431 1.160 11.280 -8.325 876 H LEU 432 H LEU 432 -1.744 12.570 -10.870 877 HA LEU 432 HA LEU 432 -0.933 15.284 -11.624 878 1HB LEU 432 2HB LEU 432 -1.732 14.657 -13.903 879 2HB LEU 432 1HB LEU 432 -0.375 13.717 -13.319 880 HG LEU 432 HG LEU 432 -2.179 12.460 -14.578 881 1HD1 LEU 432 1HD1 LEU 432 -2.231 10.858 -12.286 882 2HD1 LEU 432 2HD1 LEU 432 -0.717 11.760 -12.211 883 3HD1 LEU 432 3HD1 LEU 432 -1.091 10.782 -13.628 884 1HD2 LEU 432 1HD2 LEU 432 -4.093 13.582 -13.518 885 2HD2 LEU 432 2HD2 LEU 432 -3.673 12.816 -11.989 886 3HD2 LEU 432 3HD2 LEU 432 -4.170 11.827 -13.361 887 H ARG 433 H ARG 433 -3.028 14.600 -9.674 888 HA ARG 433 HA ARG 433 -5.462 15.501 -11.016 889 1HB ARG 433 2HB ARG 433 -6.024 13.780 -9.569 890 2HB ARG 433 1HB ARG 433 -4.833 14.260 -8.368 891 1HG ARG 433 2HG ARG 433 -6.214 15.839 -7.436 892 2HG ARG 433 1HG ARG 433 -7.152 16.047 -8.917 893 1HD ARG 433 2HD ARG 433 -8.157 13.854 -8.608 894 2HD ARG 433 1HD ARG 433 -7.190 13.600 -7.158 895 HE ARG 433 HE ARG 433 -8.734 15.959 -6.917 896 1HH1 ARG 433 1HH1 ARG 433 -8.987 12.485 -6.856 897 2HH1 ARG 433 2HH1 ARG 433 -10.390 12.475 -5.842 898 1HH2 ARG 433 1HH2 ARG 433 -10.586 15.954 -5.578 899 2HH2 ARG 433 2HH2 ARG 433 -11.298 14.444 -5.114 900 H ASP 434 H ASP 434 -2.793 16.770 -9.452 901 HA ASP 434 HA ASP 434 -4.258 19.165 -8.574 902 1HB ASP 434 2HB ASP 434 -1.408 18.525 -7.851 903 2HB ASP 434 1HB ASP 434 -2.530 19.609 -7.033 904 H LYS 435 H LYS 435 -4.394 20.309 -10.472 905 HA LYS 435 HA LYS 435 -2.420 20.565 -12.417 906 1HB LYS 435 2HB LYS 435 -3.772 22.150 -13.387 907 2HB LYS 435 1HB LYS 435 -4.934 21.368 -12.325 908 1HG LYS 435 2HG LYS 435 -3.893 23.329 -10.722 909 2HG LYS 435 1HG LYS 435 -3.921 24.097 -12.310 910 1HD LYS 435 2HD LYS 435 -6.297 22.630 -11.199 911 2HD LYS 435 1HD LYS 435 -6.003 24.335 -10.853 912 1HE LYS 435 2HE LYS 435 -6.031 24.833 -13.241 913 2HE LYS 435 1HE LYS 435 -6.282 23.125 -13.604 914 1HZ LYS 435 1HZ LYS 435 -8.234 24.989 -13.231 915 2HZ LYS 435 2HZ LYS 435 -8.219 24.148 -11.764 916 3HZ LYS 435 3HZ LYS 435 -8.450 23.310 -13.215 917 H LYS 436 H LYS 436 -2.830 22.199 -9.360 918 HA LYS 436 HA LYS 436 -1.022 24.327 -9.809 919 1HB LYS 436 2HB LYS 436 -1.890 22.995 -7.236 920 2HB LYS 436 1HB LYS 436 -0.974 24.494 -7.322 921 1HG LYS 436 2HG LYS 436 -2.779 25.664 -8.276 922 2HG LYS 436 1HG LYS 436 -3.652 24.174 -8.641 923 1HD LYS 436 2HD LYS 436 -4.716 24.382 -6.699 924 2HD LYS 436 1HD LYS 436 -3.175 24.141 -5.872 925 1HE LYS 436 2HE LYS 436 -3.147 26.257 -5.192 926 2HE LYS 436 1HE LYS 436 -3.368 26.837 -6.842 927 1HZ LYS 436 1HZ LYS 436 -5.131 27.386 -5.064 928 2HZ LYS 436 2HZ LYS 436 -5.669 25.803 -5.325 929 3HZ LYS 436 3HZ LYS 436 -5.643 26.909 -6.606 930 H MET 437 H MET 437 -0.613 21.248 -8.057 931 HA MET 437 HA MET 437 2.157 21.544 -7.621 932 1HB MET 437 2HB MET 437 0.850 19.973 -6.316 933 2HB MET 437 1HB MET 437 0.442 19.060 -7.762 934 1HG MET 437 2HG MET 437 3.299 19.434 -6.987 935 2HG MET 437 1HG MET 437 2.311 18.217 -6.181 936 1HE MET 437 1HE MET 437 1.271 16.360 -7.090 937 2HE MET 437 2HE MET 437 1.807 15.455 -8.508 938 3HE MET 437 3HE MET 437 0.557 16.690 -8.668 939 H LEU 438 H LEU 438 0.314 19.819 -10.095 940 HA LEU 438 HA LEU 438 2.398 18.670 -11.517 941 1HB LEU 438 2HB LEU 438 -0.279 19.722 -12.399 942 2HB LEU 438 1HB LEU 438 0.807 18.885 -13.488 943 HG LEU 438 HG LEU 438 -0.355 17.714 -10.959 944 1HD1 LEU 438 1HD1 LEU 438 -1.444 18.017 -13.595 945 2HD1 LEU 438 2HD1 LEU 438 -2.178 17.315 -12.153 946 3HD1 LEU 438 3HD1 LEU 438 -1.205 16.308 -13.226 947 1HD2 LEU 438 1HD2 LEU 438 1.939 16.986 -12.324 948 2HD2 LEU 438 2HD2 LEU 438 0.707 15.886 -12.942 949 3HD2 LEU 438 3HD2 LEU 438 1.017 15.978 -11.209 950 H ASP 439 H ASP 439 0.722 21.709 -12.283 951 HA ASP 439 HA ASP 439 2.540 22.513 -14.282 952 1HB ASP 439 2HB ASP 439 0.135 23.354 -13.787 953 2HB ASP 439 1HB ASP 439 0.920 24.461 -12.665 954 H PHE 440 H PHE 440 2.601 22.727 -10.833 955 HA PHE 440 HA PHE 440 4.374 24.891 -10.522 956 1HB PHE 440 2HB PHE 440 3.559 24.381 -8.468 957 2HB PHE 440 1HB PHE 440 3.354 22.681 -8.863 958 HD1 PHE 440 HD1 PHE 440 4.303 21.491 -7.143 959 HD2 PHE 440 HD2 PHE 440 6.426 24.797 -8.780 960 HE1 PHE 440 HE1 PHE 440 6.241 20.936 -5.737 961 HE2 PHE 440 HE2 PHE 440 8.373 24.244 -7.377 962 HZ PHE 440 HZ PHE 440 8.280 22.312 -5.852 963 H TYR 441 H TYR 441 4.933 21.403 -10.817 964 HA TYR 441 HA TYR 441 7.789 21.696 -10.805 965 1HB TYR 441 2HB TYR 441 5.956 19.366 -11.384 966 2HB TYR 441 1HB TYR 441 7.712 19.248 -11.493 967 HD1 TYR 441 HD1 TYR 441 9.035 19.989 -9.382 968 HD2 TYR 441 HD2 TYR 441 4.914 18.950 -9.351 969 HE1 TYR 441 HE1 TYR 441 9.166 19.596 -6.968 970 HE2 TYR 441 HE2 TYR 441 5.028 18.543 -6.930 971 HH TYR 441 HH TYR 441 7.717 18.044 -5.273 972 H ALA 442 H ALA 442 5.272 21.179 -13.243 973 HA ALA 442 HA ALA 442 6.739 20.698 -15.496 974 1HB ALA 442 1HB ALA 442 4.562 22.766 -15.547 975 2HB ALA 442 2HB ALA 442 4.205 21.059 -15.280 976 3HB ALA 442 3HB ALA 442 4.985 21.574 -16.776 977 H LYS 443 H LYS 443 6.170 23.806 -13.916 978 HA LYS 443 HA LYS 443 7.744 25.332 -15.736 979 1HB LYS 443 2HB LYS 443 6.260 26.684 -14.587 980 2HB LYS 443 1HB LYS 443 6.470 25.811 -13.075 981 1HG LYS 443 2HG LYS 443 8.173 27.116 -12.407 982 2HG LYS 443 1HG LYS 443 8.848 27.252 -14.031 983 1HD LYS 443 2HD LYS 443 6.459 28.630 -14.205 984 2HD LYS 443 1HD LYS 443 7.057 29.042 -12.596 985 1HE LYS 443 2HE LYS 443 9.239 29.641 -13.630 986 2HE LYS 443 1HE LYS 443 8.516 29.369 -15.214 987 1HZ LYS 443 1HZ LYS 443 8.429 31.686 -14.730 988 2HZ LYS 443 2HZ LYS 443 7.724 31.416 -13.217 989 3HZ LYS 443 3HZ LYS 443 6.849 31.089 -14.627 990 H GLN 444 H GLN 444 8.294 23.912 -12.531 991 HA GLN 444 HA GLN 444 10.875 24.804 -12.058 992 1HB GLN 444 2HB GLN 444 10.928 23.273 -10.351 993 2HB GLN 444 1HB GLN 444 9.203 23.216 -10.688 994 1HG GLN 444 2HG GLN 444 9.477 21.017 -10.837 995 2HG GLN 444 1HG GLN 444 10.221 21.326 -12.401 996 1HE2 GLN 444 1HE2 GLN 444 12.490 22.684 -11.145 997 2HE2 GLN 444 2HE2 GLN 444 13.479 21.440 -10.483 998 H ARG 445 H ARG 445 9.688 22.530 -14.347 999 HA ARG 445 HA ARG 445 12.201 21.247 -14.873 1000 1HB ARG 445 2HB ARG 445 9.432 21.014 -15.802 1001 2HB ARG 445 1HB ARG 445 10.626 20.739 -17.063 1002 1HG ARG 445 2HG ARG 445 10.626 19.321 -14.409 1003 2HG ARG 445 1HG ARG 445 9.886 18.683 -15.879 1004 1HD ARG 445 2HD ARG 445 12.625 19.585 -16.284 1005 2HD ARG 445 1HD ARG 445 12.498 18.307 -15.076 1006 HE ARG 445 HE ARG 445 11.032 17.301 -17.067 1007 1HH1 ARG 445 1HH1 ARG 445 14.169 18.811 -17.067 1008 2HH1 ARG 445 2HH1 ARG 445 14.747 17.911 -18.429 1009 1HH2 ARG 445 1HH2 ARG 445 11.781 16.108 -18.861 1010 2HH2 ARG 445 2HH2 ARG 445 13.390 16.369 -19.446 1011 H ALA 446 H ALA 446 10.084 23.185 -16.990 1012 HA ALA 446 HA ALA 446 11.813 23.669 -19.040 1013 1HB ALA 446 1HB ALA 446 9.396 24.396 -18.839 1014 2HB ALA 446 2HB ALA 446 10.485 25.507 -19.670 1015 3HB ALA 446 3HB ALA 446 9.999 25.828 -18.006 1016 H ALA 447 H ALA 447 11.947 25.030 -15.848 1017 HA ALA 447 HA ALA 447 13.700 27.190 -16.559 1018 1HB ALA 447 1HB ALA 447 13.000 26.050 -13.857 1019 2HB ALA 447 2HB ALA 447 12.224 27.422 -14.648 1020 3HB ALA 447 3HB ALA 447 13.909 27.536 -14.137 1021 H ILE 448 H ILE 448 14.112 24.152 -14.747 1022 HA ILE 448 HA ILE 448 16.826 24.316 -14.269 1023 HB ILE 448 HB ILE 448 16.843 21.867 -14.141 1024 1HG1 ILE 448 2HG1 ILE 448 13.963 21.628 -14.698 1025 2HG1 ILE 448 1HG1 ILE 448 14.972 21.909 -16.109 1026 1HG2 ILE 448 1HG2 ILE 448 16.044 22.266 -12.111 1027 2HG2 ILE 448 2HG2 ILE 448 14.419 22.016 -12.749 1028 3HG2 ILE 448 3HG2 ILE 448 15.108 23.638 -12.702 1029 1HD1 ILE 448 1HD1 ILE 448 14.425 19.479 -15.022 1030 2HD1 ILE 448 2HD1 ILE 448 15.995 19.853 -14.309 1031 3HD1 ILE 448 3HD1 ILE 448 15.803 19.841 -16.062 1032 HA PRO 449 HA PRO 449 18.588 24.154 -18.333 1033 1HB PRO 449 2HB PRO 449 21.163 23.758 -17.567 1034 2HB PRO 449 1HB PRO 449 20.351 25.323 -17.441 1035 1HG PRO 449 2HG PRO 449 20.796 23.248 -15.323 1036 2HG PRO 449 1HG PRO 449 21.011 25.007 -15.226 1037 1HD PRO 449 2HD PRO 449 18.814 23.783 -14.257 1038 2HD PRO 449 1HD PRO 449 18.744 25.398 -14.992 1039 H ARG 450 H ARG 450 20.429 22.674 -19.354 1040 HA ARG 450 HA ARG 450 20.090 19.896 -18.491 1041 1HB ARG 450 2HB ARG 450 18.377 20.160 -20.158 1042 2HB ARG 450 1HB ARG 450 19.498 20.949 -21.259 1043 1HG ARG 450 2HG ARG 450 19.873 18.973 -22.181 1044 2HG ARG 450 1HG ARG 450 20.658 18.478 -20.680 1045 1HD ARG 450 2HD ARG 450 17.718 18.206 -21.302 1046 2HD ARG 450 1HD ARG 450 18.904 16.903 -21.364 1047 HE ARG 450 HE ARG 450 19.167 17.780 -18.843 1048 1HH1 ARG 450 1HH1 ARG 450 16.367 16.942 -20.736 1049 2HH1 ARG 450 2HH1 ARG 450 15.440 16.420 -19.368 1050 1HH2 ARG 450 1HH2 ARG 450 17.954 17.099 -17.036 1051 2HH2 ARG 450 2HH2 ARG 450 16.341 16.512 -17.265 1052 H SER 451 H SER 451 22.290 20.207 -17.789 1053 HA SER 451 HA SER 451 24.200 19.912 -20.006 1054 1HB SER 451 2HB SER 451 24.269 21.823 -17.733 1055 2HB SER 451 1HB SER 451 25.794 21.049 -18.161 1056 HG SER 451 HG SER 451 25.852 22.143 -19.969 1057 H GLU 452 H GLU 452 23.682 19.446 -16.517 1058 HA GLU 452 HA GLU 452 25.705 17.378 -16.408 1059 1HB GLU 452 2HB GLU 452 24.976 19.121 -14.562 1060 2HB GLU 452 1HB GLU 452 23.795 17.879 -14.168 1061 1HG GLU 452 2HG GLU 452 25.313 16.656 -13.119 1062 2HG GLU 452 1HG GLU 452 26.427 16.746 -14.482 1063 H SER 453 HN SER 453 25.007 15.687 -17.658 1064 HA SER 453 HA SER 453 23.167 13.874 -16.467 1065 1HB SER 453 2HB SER 453 21.570 13.781 -18.388 1066 2HB SER 453 1HB SER 453 21.484 15.290 -17.479 1067 HG SER 453 HG SER 453 22.199 16.351 -19.164 Start of MODEL 11 1 1H5* G 1 2H5* G 1 -18.018 -27.924 -6.026 2 2H5* G 1 1H5* G 1 -16.620 -26.840 -6.182 3 H4* G 1 H4* G 1 -18.825 -26.134 -7.340 4 H3* G 1 H3* G 1 -17.040 -24.444 -5.588 5 H2* G 1 H2* G 1 -18.566 -22.623 -5.638 6 2HO* G 1 HO2* G 1 -20.554 -23.640 -7.190 7 H1* G 1 H1* G 1 -20.813 -23.973 -5.142 8 H8 G 1 H8 G 1 -18.206 -25.959 -3.351 9 H1 G 1 H1 G 1 -19.469 -20.468 -0.368 10 1H2 G 1 1H2 G 1 -20.702 -19.166 -1.672 11 2H2 G 1 2H2 G 1 -21.209 -19.650 -3.275 12 H5T G 1 H5T G 1 -17.113 -27.664 -4.020 13 1H5* G 2 2H5* G 2 -18.758 -21.715 -8.389 14 2H5* G 2 1H5* G 2 -17.390 -20.942 -9.212 15 H4* G 2 H4* G 2 -18.991 -19.269 -8.344 16 H3* G 2 H3* G 2 -16.222 -19.388 -7.077 17 H2* G 2 H2* G 2 -16.813 -17.436 -5.849 18 2HO* G 2 HO2* G 2 -18.538 -17.088 -7.975 19 H1* G 2 H1* G 2 -19.386 -18.203 -5.256 20 H8 G 2 H8 G 2 -17.195 -21.198 -4.802 21 H1 G 2 H1 G 2 -16.543 -17.003 -0.049 22 1H2 G 2 1H2 G 2 -17.536 -15.093 -0.579 23 2H2 G 2 2H2 G 2 -18.358 -14.853 -2.104 24 1H5* G 3 2H5* G 3 -17.362 -15.167 -7.581 25 2H5* G 3 1H5* G 3 -15.956 -14.499 -8.431 26 H4* G 3 H4* G 3 -16.566 -13.219 -6.364 27 H3* G 3 H3* G 3 -13.872 -14.533 -6.749 28 H2* G 3 H2* G 3 -13.223 -14.071 -4.574 29 2HO* G 3 HO2* G 3 -13.622 -11.769 -5.002 30 H1* G 3 H1* G 3 -15.799 -13.756 -3.385 31 H8 G 3 H8 G 3 -14.970 -17.154 -4.795 32 H1 G 3 H1 G 3 -12.642 -16.221 1.070 33 1H2 G 3 1H2 G 3 -12.879 -14.104 1.650 34 2H2 G 3 2H2 G 3 -13.607 -12.915 0.595 35 1H5* A 4 2H5* A 4 -13.550 -9.915 -5.237 36 2H5* A 4 1H5* A 4 -12.049 -9.443 -6.059 37 H4* A 4 H4* A 4 -12.116 -8.908 -3.582 38 H3* A 4 H3* A 4 -9.984 -10.681 -4.820 39 H2* A 4 H2* A 4 -9.000 -10.994 -2.721 40 2HO* A 4 HO2* A 4 -10.075 -9.281 -1.049 41 H1* A 4 H1* A 4 -11.333 -10.734 -1.138 42 H8 A 4 H8 A 4 -11.307 -13.339 -3.922 43 1H6 A 4 1H6 A 4 -9.043 -17.250 0.261 44 2H6 A 4 2H6 A 4 -9.669 -17.099 -1.365 45 H2 A 4 H2 A 4 -9.134 -13.150 2.090 46 1H5* U 5 2H5* U 5 -8.579 -6.867 -2.102 47 2H5* U 5 1H5* U 5 -7.034 -6.476 -2.882 48 H4* U 5 H4* U 5 -6.879 -6.535 -0.388 49 H3* U 5 H3* U 5 -5.271 -8.459 -2.098 50 H2* U 5 H2* U 5 -4.285 -9.350 -0.123 51 2HO* U 5 HO2* U 5 -4.866 -8.282 1.961 52 H1* U 5 H1* U 5 -6.549 -9.530 1.359 53 H3 U 5 H3 U 5 -5.727 -13.809 0.169 54 H5 U 5 H5 U 5 -7.020 -12.010 -3.416 55 H6 U 5 H6 U 5 -7.045 -9.878 -2.259 56 1H5* A 6 2H5* A 6 -2.631 -7.092 1.173 57 2H5* A 6 1H5* A 6 -1.037 -6.938 0.406 58 H4* A 6 H4* A 6 -1.236 -8.607 2.356 59 H3* A 6 H3* A 6 -0.111 -9.270 -0.388 60 H2* A 6 H2* A 6 0.283 -11.472 0.308 61 2HO* A 6 HO2* A 6 1.059 -11.857 2.244 62 H1* A 6 H1* A 6 -1.848 -11.694 2.143 63 H8 A 6 H8 A 6 -3.020 -10.635 -1.265 64 1H6 A 6 1H6 A 6 -2.989 -16.564 -2.888 65 2H6 A 6 2H6 A 6 -3.480 -14.950 -3.349 66 H2 A 6 H2 A 6 -0.921 -16.202 1.089 67 1H5* C 7 2H5* C 7 2.718 -10.575 3.330 68 2H5* C 7 1H5* C 7 4.285 -10.136 2.622 69 H4* C 7 H4* C 7 4.291 -12.414 3.645 70 H3* C 7 H3* C 7 4.784 -12.021 0.678 71 H2* C 7 H2* C 7 5.072 -14.363 0.419 72 2HO* C 7 HO2* C 7 5.967 -14.226 2.912 73 H1* C 7 H1* C 7 2.982 -15.174 1.912 74 1H4 C 7 1H4 C 7 0.680 -14.599 -3.988 75 2H4 C 7 2H4 C 7 0.575 -12.862 -3.808 76 H5 C 7 H5 C 7 1.379 -11.686 -1.865 77 H6 C 7 H6 C 7 2.451 -11.921 0.327 78 1H5* C 8 2H5* C 8 7.498 -15.176 1.990 79 2H5* C 8 1H5* C 8 9.099 -14.578 1.519 80 H4* C 8 H4* C 8 8.927 -16.814 0.674 81 H3* C 8 H3* C 8 8.492 -14.700 -1.476 82 H2* C 8 H2* C 8 8.411 -16.484 -3.061 83 2HO* C 8 HO2* C 8 10.145 -17.729 -2.324 84 H1* C 8 H1* C 8 6.884 -18.180 -1.540 85 1H4 C 8 1H4 C 8 2.653 -15.226 -5.227 86 2H4 C 8 2H4 C 8 2.863 -13.733 -4.342 87 H5 C 8 H5 C 8 4.474 -13.463 -2.573 88 H6 C 8 H6 C 8 6.237 -14.568 -1.278 89 1H5* A 9 2H5* A 9 11.939 -16.907 -3.365 90 2H5* A 9 1H5* A 9 12.681 -15.600 -4.308 91 H4* A 9 H4* A 9 11.622 -17.577 -5.606 92 H3* A 9 H3* A 9 11.184 -14.625 -6.126 93 H2* A 9 H2* A 9 9.578 -15.082 -7.746 94 2HO* A 9 HO2* A 9 9.780 -16.740 -9.146 95 H1* A 9 H1* A 9 8.786 -17.676 -6.834 96 H8 A 9 H8 A 9 8.189 -14.846 -4.412 97 1H6 A 9 1H6 A 9 2.813 -13.902 -7.264 98 2H6 A 9 2H6 A 9 3.795 -13.481 -5.880 99 H2 A 9 H2 A 9 5.180 -16.853 -9.691 100 1H5* U 10 2H5* U 10 12.207 -17.113 -10.135 101 2H5* U 10 1H5* U 10 13.199 -15.903 -10.974 102 H4* U 10 H4* U 10 11.368 -16.885 -12.395 103 H3* U 10 H3* U 10 11.604 -13.925 -11.813 104 H2* U 10 H2* U 10 9.630 -13.463 -13.022 105 2HO* U 10 HO2* U 10 8.675 -15.355 -14.262 106 H1* U 10 H1* U 10 8.135 -15.627 -12.246 107 H3 U 10 H3 U 10 6.072 -12.209 -10.160 108 H5 U 10 H5 U 10 9.760 -12.496 -8.157 109 H6 U 10 H6 U 10 10.430 -14.189 -9.759 110 1H5* G 11 2H5* G 11 10.486 -15.341 -15.978 111 2H5* G 11 1H5* G 11 11.124 -14.194 -17.173 112 H4* G 11 H4* G 11 8.599 -14.788 -17.282 113 H3* G 11 H3* G 11 9.854 -12.042 -17.380 114 H2* G 11 H2* G 11 7.794 -10.982 -17.230 115 2HO* G 11 HO2* G 11 5.848 -12.237 -17.982 116 H1* G 11 H1* G 11 6.280 -13.145 -16.092 117 H8 G 11 H8 G 11 9.085 -11.601 -14.053 118 H1 G 11 H1 G 11 3.509 -8.559 -13.450 119 1H2 G 11 1H2 G 11 2.055 -9.351 -14.931 120 2H2 G 11 2H2 G 11 2.465 -10.621 -16.061 121 1H5* U 12 2H5* U 12 6.660 -13.463 -20.572 122 2H5* U 12 1H5* U 12 6.926 -12.532 -22.061 123 H4* U 12 H4* U 12 4.506 -12.689 -21.293 124 H3* U 12 H3* U 12 5.975 -10.094 -21.809 125 H2* U 12 H2* U 12 4.094 -8.842 -21.156 126 2HO* U 12 HO2* U 12 2.714 -11.234 -21.746 127 H1* U 12 H1* U 12 3.209 -10.406 -19.096 128 H3 U 12 H3 U 12 4.540 -6.574 -17.115 129 H5 U 12 H5 U 12 8.145 -8.410 -18.293 130 H6 U 12 H6 U 12 6.840 -10.113 -19.418 131 1H5* U 13 2H5* U 13 1.603 -10.226 -23.128 132 2H5* U 13 1H5* U 13 1.467 -9.126 -24.514 133 H4* U 13 H4* U 13 -0.011 -8.667 -22.419 134 H3* U 13 H3* U 13 1.690 -6.633 -23.905 135 H2* U 13 H2* U 13 0.959 -4.964 -22.418 136 2HO* U 13 HO2* U 13 -0.864 -5.376 -20.990 137 H1* U 13 H1* U 13 0.871 -6.470 -20.119 138 H3 U 13 H3 U 13 3.944 -3.205 -19.462 139 H5 U 13 H5 U 13 5.819 -5.855 -22.147 140 H6 U 13 H6 U 13 3.743 -7.096 -22.270 141 1H5* C 14 2H5* C 14 -2.413 -5.288 -22.586 142 2H5* C 14 1H5* C 14 -3.018 -4.185 -23.838 143 H4* C 14 H4* C 14 -2.934 -3.321 -21.395 144 H3* C 14 H3* C 14 -1.935 -1.908 -23.872 145 H2* C 14 H2* C 14 -1.052 -0.137 -22.609 146 2HO* C 14 HO2* C 14 -2.660 0.505 -21.312 147 H1* C 14 H1* C 14 -0.273 -1.535 -20.333 148 1H4 C 14 1H4 C 14 4.982 -0.256 -23.694 149 2H4 C 14 2H4 C 14 4.643 -1.598 -24.764 150 H5 C 14 H5 C 14 2.634 -2.919 -24.630 151 H6 C 14 H6 C 14 0.516 -3.237 -23.442 152 1H5* A 15 2H5* A 15 -3.145 1.288 -26.038 153 2H5* A 15 1H5* A 15 -2.226 -0.150 -25.546 154 H4* A 15 H4* A 15 -1.730 2.411 -24.058 155 H3* A 15 H3* A 15 -1.023 1.904 -26.959 156 H2* A 15 H2* A 15 1.174 2.643 -26.616 157 2HO* A 15 HO2* A 15 -0.047 4.148 -24.583 158 H1* A 15 H1* A 15 1.495 1.829 -23.952 159 H8 A 15 H8 A 15 0.295 -1.079 -25.938 160 1H6 A 15 1H6 A 15 6.045 -1.842 -28.003 161 2H6 A 15 2H6 A 15 4.451 -2.555 -27.897 162 H2 A 15 H2 A 15 5.831 2.138 -25.922 163 1H5* G 16 2H5* G 16 0.061 5.052 -26.178 164 2H5* G 16 1H5* G 16 0.125 6.653 -26.939 165 H4* G 16 H4* G 16 2.321 5.770 -27.151 166 H3* G 16 H3* G 16 0.682 6.099 -29.530 167 H2* G 16 H2* G 16 1.032 3.921 -30.332 168 2HO* G 16 HO2* G 16 3.142 3.743 -31.342 169 H1* G 16 H1* G 16 3.584 3.734 -28.708 170 H8 G 16 H8 G 16 4.378 1.309 -28.977 171 H1 G 16 H1 G 16 -1.402 -0.879 -30.544 172 1H2 G 16 1H2 G 16 -2.890 0.764 -30.443 173 2H2 G 16 2H2 G 16 -2.456 2.398 -29.992 174 1H5* A 17 2H5* A 17 5.716 8.181 -29.026 175 2H5* A 17 1H5* A 17 4.275 7.467 -28.273 176 H4* A 17 H4* A 17 5.111 10.391 -28.137 177 H3* A 17 H3* A 17 5.853 8.106 -26.516 178 H2* A 17 H2* A 17 4.018 8.203 -25.069 179 2HO* A 17 HO2* A 17 4.245 10.084 -23.576 180 H1* A 17 H1* A 17 3.523 11.112 -25.720 181 H8 A 17 H8 A 17 1.838 7.610 -25.585 182 1H6 A 17 1H6 A 17 -2.900 10.490 -22.902 183 2H6 A 17 2H6 A 17 -2.278 8.945 -23.441 184 H2 A 17 H2 A 17 0.231 13.565 -23.872 185 1H5* A 18 2H5* A 18 10.070 9.738 -25.091 186 2H5* A 18 1H5* A 18 10.093 8.008 -24.700 187 H4* A 18 H4* A 18 9.335 10.065 -22.983 188 H3* A 18 H3* A 18 9.071 7.060 -23.009 189 H2* A 18 H2* A 18 7.446 7.076 -21.286 190 2HO* A 18 HO2* A 18 8.345 9.749 -20.876 191 H1* A 18 H1* A 18 5.904 9.089 -22.175 192 H8 A 18 H8 A 18 7.604 7.099 -24.976 193 1H6 A 18 1H6 A 18 2.722 3.349 -24.827 194 2H6 A 18 2H6 A 18 4.209 3.737 -25.665 195 H2 A 18 H2 A 18 2.341 6.271 -21.432 196 1H5* G 19 2H5* G 19 10.195 8.112 -19.025 197 2H5* G 19 1H5* G 19 10.807 6.766 -18.042 198 H4* G 19 H4* G 19 8.390 7.493 -17.595 199 H3* G 19 H3* G 19 9.289 4.668 -18.202 200 H2* G 19 H2* G 19 7.070 3.883 -18.152 201 2HO* G 19 HO2* G 19 5.471 5.743 -17.391 202 H1* G 19 H1* G 19 5.820 6.037 -19.321 203 H8 G 19 H8 G 19 8.873 5.347 -21.335 204 H1 G 19 H1 G 19 4.354 0.953 -22.287 205 1H2 G 19 1H2 G 19 2.755 1.180 -20.768 206 2H2 G 19 2H2 G 19 2.800 2.412 -19.528 207 1H5* A 20 2H5* A 20 6.942 5.487 -14.059 208 2H5* A 20 1H5* A 20 7.382 4.151 -12.976 209 H4* A 20 H4* A 20 4.878 4.766 -13.178 210 H3* A 20 H3* A 20 6.182 2.087 -13.152 211 H2* A 20 H2* A 20 4.399 0.904 -14.063 212 2HO* A 20 HO2* A 20 2.286 2.485 -14.009 213 H1* A 20 H1* A 20 3.222 2.750 -15.695 214 H8 A 20 H8 A 20 6.929 2.887 -16.232 215 1H6 A 20 1H6 A 20 6.387 -2.121 -19.773 216 2H6 A 20 2H6 A 20 7.462 -0.845 -19.250 217 H2 A 20 H2 A 20 2.459 -1.454 -17.692 218 1H5* A 21 2H5* A 21 1.709 2.210 -11.473 219 2H5* A 21 1H5* A 21 1.758 1.016 -10.160 220 H4* A 21 H4* A 21 -0.089 0.768 -11.967 221 H3* A 21 H3* A 21 1.704 -1.359 -10.817 222 H2* A 21 H2* A 21 1.039 -2.973 -12.374 223 2HO* A 21 HO2* A 21 -1.240 -2.517 -12.048 224 H1* A 21 H1* A 21 0.735 -1.446 -14.603 225 H8 A 21 H8 A 21 3.838 -0.547 -12.601 226 1H6 A 21 1H6 A 21 6.711 -5.066 -15.651 227 2H6 A 21 2H6 A 21 6.919 -3.725 -14.549 228 H2 A 21 H2 A 21 2.334 -5.284 -16.630 229 1H5* C 22 2H5* C 22 -2.832 -2.912 -11.395 230 2H5* C 22 1H5* C 22 -2.940 -4.123 -10.102 231 H4* C 22 H4* C 22 -3.499 -4.876 -12.522 232 H3* C 22 H3* C 22 -1.673 -6.281 -10.554 233 H2* C 22 H2* C 22 -1.197 -7.962 -12.167 234 2HO* C 22 HO2* C 22 -2.483 -7.406 -14.343 235 H1* C 22 H1* C 22 -0.756 -6.342 -14.271 236 1H4 C 22 1H4 C 22 4.822 -6.975 -11.243 237 2H4 C 22 2H4 C 22 4.398 -5.660 -10.170 238 H5 C 22 H5 C 22 2.247 -4.580 -10.191 239 H6 C 22 H6 C 22 0.034 -4.527 -11.248 240 1H5* G 23 2H5* G 23 -4.232 -9.046 -12.687 241 2H5* G 23 1H5* G 23 -4.574 -10.493 -11.720 242 H4* G 23 H4* G 23 -3.323 -10.785 -13.984 243 H3* G 23 H3* G 23 -2.529 -12.005 -11.316 244 H2* G 23 H2* G 23 -0.676 -13.000 -12.333 245 2HO* G 23 HO2* G 23 -0.616 -13.151 -14.720 246 H1* G 23 H1* G 23 -0.188 -11.060 -14.297 247 H8 G 23 H8 G 23 -0.196 -9.426 -10.969 248 H1 G 23 H1 G 23 4.932 -13.138 -11.774 249 1H2 G 23 1H2 G 23 4.678 -14.391 -13.584 250 2H2 G 23 2H2 G 23 3.246 -14.313 -14.584 251 1H5* U 24 2H5* U 24 -2.042 -14.699 -15.153 252 2H5* U 24 1H5* U 24 -2.869 -16.164 -14.591 253 H4* U 24 H4* U 24 -0.696 -16.657 -15.708 254 H3* U 24 H3* U 24 -1.151 -17.358 -12.795 255 H2* U 24 H2* U 24 1.047 -18.290 -12.678 256 2HO* U 24 HO2* U 24 0.860 -19.250 -14.863 257 H1* U 24 H1* U 24 2.351 -16.276 -13.910 258 H3 U 24 H3 U 24 3.212 -15.471 -9.559 259 H5 U 24 H5 U 24 -0.758 -14.172 -10.077 260 H6 U 24 H6 U 24 -0.710 -15.135 -12.305 261 1H5* G 25 2H5* G 25 0.487 -20.649 -13.858 262 2H5* G 25 1H5* G 25 -0.501 -22.096 -13.586 263 H4* G 25 H4* G 25 1.411 -22.531 -12.303 264 H3* G 25 H3* G 25 -0.676 -21.193 -10.529 265 H2* G 25 H2* G 25 0.817 -21.594 -8.708 266 2HO* G 25 HO2* G 25 1.734 -23.519 -8.855 267 H1* G 25 H1* G 25 3.099 -20.854 -10.052 268 H8 G 25 H8 G 25 0.081 -18.638 -10.784 269 H1 G 25 H1 G 25 3.297 -16.965 -5.538 270 1H2 G 25 1H2 G 25 4.804 -18.514 -5.047 271 2H2 G 25 2H2 G 25 5.017 -19.959 -6.009 272 1H5* G 26 2H5* G 26 -0.112 -25.099 -8.322 273 2H5* G 26 1H5* G 26 -1.607 -25.175 -7.372 274 H4* G 26 H4* G 26 0.646 -24.859 -6.109 275 H3* G 26 H3* G 26 -1.859 -23.179 -5.684 276 H2* G 26 H2* G 26 -0.723 -22.042 -3.963 277 2HO* G 26 HO2* G 26 0.568 -24.485 -3.739 278 H1* G 26 H1* G 26 1.861 -22.204 -5.090 279 H8 G 26 H8 G 26 -0.663 -20.721 -7.453 280 H1 G 26 H1 G 26 1.309 -16.564 -3.037 281 1H2 G 26 1H2 G 26 2.487 -17.616 -1.483 282 2H2 G 26 2H2 G 26 2.785 -19.340 -1.536 283 1H5* U 27 2H5* U 27 0.143 -25.272 -1.835 284 2H5* U 27 1H5* U 27 -1.327 -25.775 -0.974 285 H4* U 27 H4* U 27 0.344 -24.738 0.548 286 H3* U 27 H3* U 27 -2.366 -23.456 0.102 287 H2* U 27 H2* U 27 -1.801 -21.697 1.603 288 2HO* U 27 HO2* U 27 0.612 -23.063 2.273 289 H1* U 27 H1* U 27 0.721 -21.244 0.720 290 H3 U 27 H3 U 27 -1.641 -17.765 -0.929 291 H5 U 27 H5 U 27 -2.716 -20.997 -3.413 292 H6 U 27 H6 U 27 -1.480 -22.464 -1.926 293 1H5* A 28 2H5* A 28 -1.218 -22.548 4.173 294 2H5* A 28 1H5* A 28 -2.535 -23.260 5.123 295 H4* A 28 H4* A 28 -2.136 -20.883 5.721 296 H3* A 28 H3* A 28 -4.735 -21.891 4.610 297 H2* A 28 H2* A 28 -5.553 -19.801 4.113 298 2HO* A 28 HO2* A 28 -3.998 -18.550 6.121 299 H1* A 28 H1* A 28 -3.134 -18.272 4.260 300 H8 A 28 H8 A 28 -3.754 -20.790 1.473 301 1H6 A 28 1H6 A 28 -5.882 -16.036 -1.817 302 2H6 A 28 2H6 A 28 -5.443 -17.729 -1.862 303 H2 A 28 H2 A 28 -5.174 -14.614 2.392 304 1H5* U 29 2H5* U 29 -4.481 -19.018 8.386 305 2H5* U 29 1H5* U 29 -5.900 -19.320 9.407 306 H4* U 29 H4* U 29 -5.457 -16.904 9.206 307 H3* U 29 H3* U 29 -7.977 -18.039 7.946 308 H2* U 29 H2* U 29 -8.609 -15.844 7.292 309 2HO* U 29 HO2* U 29 -7.422 -15.141 9.517 310 H1* U 29 H1* U 29 -6.151 -14.987 6.467 311 H3 U 29 H3 U 29 -8.555 -15.462 2.655 312 H5 U 29 H5 U 29 -7.594 -19.407 3.768 313 H6 U 29 H6 U 29 -6.688 -18.538 5.844 314 1H5* C 30 2H5* C 30 -8.994 -14.352 9.353 315 2H5* C 30 1H5* C 30 -10.540 -14.454 10.216 316 H4* C 30 H4* C 30 -10.638 -12.884 8.290 317 H3* C 30 H3* C 30 -12.319 -15.425 8.150 318 H2* C 30 H2* C 30 -13.275 -14.541 6.170 319 2HO* C 30 HO2* C 30 -12.727 -12.236 5.637 320 H1* C 30 H1* C 30 -10.946 -13.307 5.226 321 1H4 C 30 1H4 C 30 -11.919 -18.463 1.632 322 2H4 C 30 2H4 C 30 -11.213 -19.479 2.869 323 H5 C 30 H5 C 30 -10.536 -18.651 5.029 324 H6 C 30 H6 C 30 -10.396 -16.675 6.468 325 1H5* U 31 2H5* U 31 -14.337 -12.260 6.494 326 2H5* U 31 1H5* U 31 -15.884 -12.087 7.341 327 H4* U 31 H4* U 31 -16.403 -12.159 5.008 328 H3* U 31 H3* U 31 -16.931 -14.761 6.482 329 H2* U 31 H2* U 31 -17.568 -15.773 4.500 330 2HO* U 31 HO2* U 31 -18.313 -14.377 2.687 331 H1* U 31 H1* U 31 -16.137 -14.064 2.698 332 H3 U 31 H3 U 31 -15.149 -18.182 1.159 333 H5 U 31 H5 U 31 -13.703 -18.240 5.111 334 H6 U 31 H6 U 31 -14.619 -16.017 5.415 335 1H5* C 32 2H5* C 32 -20.512 -12.745 3.955 336 2H5* C 32 1H5* C 32 -21.981 -13.425 4.684 337 H4* C 32 H4* C 32 -21.838 -13.573 2.141 338 H3* C 32 H3* C 32 -22.159 -16.022 3.904 339 H2* C 32 H2* C 32 -22.342 -17.351 1.998 340 2HO* C 32 HO2* C 32 -23.109 -14.926 0.740 341 H1* C 32 H1* C 32 -20.601 -15.831 0.376 342 1H4 C 32 1H4 C 32 -17.662 -21.301 1.785 343 2H4 C 32 2H4 C 32 -17.254 -20.693 3.374 344 H5 C 32 H5 C 32 -18.028 -18.560 4.213 345 H6 C 32 H6 C 32 -19.366 -16.575 3.701 346 H3T C 32 H3T C 32 -24.334 -15.726 3.153 347 1H GLY 364 1HT GLY 364 -11.590 11.074 -16.503 348 2H GLY 364 2HT GLY 364 -11.111 10.333 -15.059 349 3H GLY 364 3HT GLY 364 -11.881 9.425 -16.260 350 1HA GLY 364 1HA GLY 364 -10.045 9.500 -17.688 351 2HA GLY 364 2HA GLY 364 -9.301 10.782 -16.744 352 H SER 365 H SER 365 -10.789 8.274 -14.947 353 HA SER 365 HA SER 365 -8.463 7.565 -13.581 354 1HB SER 365 2HB SER 365 -10.571 5.490 -13.794 355 2HB SER 365 1HB SER 365 -9.808 6.181 -12.362 356 HG SER 365 HG SER 365 -11.524 7.364 -12.188 357 H LEU 366 H LEU 366 -6.929 7.259 -15.326 358 HA LEU 366 HA LEU 366 -6.967 4.499 -16.317 359 1HB LEU 366 2HB LEU 366 -7.653 6.150 -18.094 360 2HB LEU 366 1HB LEU 366 -6.046 6.840 -17.972 361 HG LEU 366 HG LEU 366 -5.243 4.409 -18.469 362 1HD1 LEU 366 1HD1 LEU 366 -7.963 4.318 -19.752 363 2HD1 LEU 366 2HD1 LEU 366 -7.565 3.487 -18.247 364 3HD1 LEU 366 3HD1 LEU 366 -6.729 3.059 -19.741 365 1HD2 LEU 366 1HD2 LEU 366 -6.246 6.523 -20.284 366 2HD2 LEU 366 2HD2 LEU 366 -5.841 4.963 -21.002 367 3HD2 LEU 366 3HD2 LEU 366 -4.623 5.861 -20.098 368 H ASP 367 H ASP 367 -5.185 3.434 -15.795 369 HA ASP 367 HA ASP 367 -3.077 4.539 -14.341 370 1HB ASP 367 2HB ASP 367 -1.837 2.396 -15.157 371 2HB ASP 367 1HB ASP 367 -3.260 2.219 -14.136 372 H MET 368 H MET 368 -2.932 3.334 -17.690 373 HA MET 368 HA MET 368 -0.522 4.140 -18.525 374 1HB MET 368 2HB MET 368 -2.622 3.241 -19.853 375 2HB MET 368 1HB MET 368 -2.809 4.937 -20.277 376 1HG MET 368 2HG MET 368 -0.162 4.520 -20.778 377 2HG MET 368 1HG MET 368 -0.870 2.964 -21.209 378 1HE MET 368 1HE MET 368 -2.781 6.747 -22.251 379 2HE MET 368 2HE MET 368 -1.191 7.025 -22.961 380 3HE MET 368 3HE MET 368 -1.333 6.613 -21.252 381 H ASN 369 H ASN 369 -3.362 6.300 -18.455 382 HA ASN 369 HA ASN 369 -1.984 8.628 -19.229 383 1HB ASN 369 2HB ASN 369 -4.587 8.061 -17.886 384 2HB ASN 369 1HB ASN 369 -3.964 9.706 -17.819 385 1HD2 ASN 369 1HD2 ASN 369 -3.495 7.438 -20.453 386 2HD2 ASN 369 2HD2 ASN 369 -4.411 8.319 -21.623 387 H ALA 370 H ALA 370 -2.671 7.224 -16.059 388 HA ALA 370 HA ALA 370 -1.581 9.337 -14.529 389 1HB ALA 370 1HB ALA 370 -2.724 6.765 -14.013 390 2HB ALA 370 2HB ALA 370 -2.524 8.133 -12.919 391 3HB ALA 370 3HB ALA 370 -1.234 6.941 -13.086 392 H LYS 371 H LYS 371 -0.167 6.089 -14.439 393 HA LYS 371 HA LYS 371 2.312 6.461 -13.705 394 1HB LYS 371 2HB LYS 371 3.027 4.853 -15.660 395 2HB LYS 371 1HB LYS 371 1.962 4.288 -14.381 396 1HG LYS 371 2HG LYS 371 0.288 3.914 -15.804 397 2HG LYS 371 1HG LYS 371 0.513 5.467 -16.611 398 1HD LYS 371 2HD LYS 371 1.327 4.343 -18.355 399 2HD LYS 371 1HD LYS 371 2.725 3.940 -17.359 400 1HE LYS 371 2HE LYS 371 2.161 1.798 -17.573 401 2HE LYS 371 1HE LYS 371 0.737 2.137 -16.590 402 1HZ LYS 371 1HZ LYS 371 0.648 2.695 -19.470 403 2HZ LYS 371 2HZ LYS 371 -0.607 2.269 -18.420 404 3HZ LYS 371 3HZ LYS 371 0.493 1.095 -18.941 405 H ARG 372 H ARG 372 1.319 7.133 -17.051 406 HA ARG 372 HA ARG 372 3.747 8.048 -18.032 407 1HB ARG 372 2HB ARG 372 1.536 7.649 -19.274 408 2HB ARG 372 1HB ARG 372 1.105 9.283 -18.790 409 1HG ARG 372 2HG ARG 372 3.101 10.135 -19.944 410 2HG ARG 372 1HG ARG 372 3.483 8.491 -20.461 411 1HD ARG 372 2HD ARG 372 2.253 9.997 -22.120 412 2HD ARG 372 1HD ARG 372 1.614 8.374 -21.863 413 HE ARG 372 HE ARG 372 -0.294 9.307 -21.027 414 1HH1 ARG 372 1HH1 ARG 372 2.239 11.697 -20.996 415 2HH1 ARG 372 2HH1 ARG 372 1.199 12.982 -20.477 416 1HH2 ARG 372 1HH2 ARG 372 -1.673 10.990 -20.340 417 2HH2 ARG 372 2HH2 ARG 372 -1.027 12.579 -20.103 418 H GLN 373 H GLN 373 1.065 10.101 -16.858 419 HA GLN 373 HA GLN 373 2.340 12.519 -16.866 420 1HB GLN 373 2HB GLN 373 -0.084 11.739 -16.056 421 2HB GLN 373 1HB GLN 373 0.656 11.948 -14.474 422 1HG GLN 373 2HG GLN 373 0.578 14.048 -16.633 423 2HG GLN 373 1HG GLN 373 -0.554 13.946 -15.291 424 1HE2 GLN 373 1HE2 GLN 373 1.613 13.068 -13.449 425 2HE2 GLN 373 2HE2 GLN 373 2.506 14.499 -13.090 426 H LEU 374 H LEU 374 2.208 10.276 -14.126 427 HA LEU 374 HA LEU 374 3.623 11.568 -12.241 428 1HB LEU 374 2HB LEU 374 4.178 8.674 -12.799 429 2HB LEU 374 1HB LEU 374 4.129 9.495 -11.252 430 HG LEU 374 HG LEU 374 1.817 8.695 -12.999 431 1HD1 LEU 374 1HD1 LEU 374 1.834 8.220 -10.100 432 2HD1 LEU 374 2HD1 LEU 374 3.066 7.350 -11.015 433 3HD1 LEU 374 3HD1 LEU 374 1.362 7.157 -11.426 434 1HD2 LEU 374 1HD2 LEU 374 0.362 10.080 -11.908 435 2HD2 LEU 374 2HD2 LEU 374 1.791 11.115 -11.950 436 3HD2 LEU 374 3HD2 LEU 374 1.391 10.222 -10.483 437 H TYR 375 H TYR 375 5.325 9.208 -14.339 438 HA TYR 375 HA TYR 375 7.798 10.583 -13.674 439 1HB TYR 375 2HB TYR 375 7.096 7.890 -14.683 440 2HB TYR 375 1HB TYR 375 8.663 8.535 -15.162 441 HD1 TYR 375 HD1 TYR 375 9.724 6.679 -13.892 442 HD2 TYR 375 HD2 TYR 375 7.304 9.607 -11.978 443 HE1 TYR 375 HE1 TYR 375 10.664 6.025 -11.716 444 HE2 TYR 375 HE2 TYR 375 8.237 8.962 -9.796 445 HH TYR 375 HH TYR 375 9.759 7.727 -8.739 446 H SER 376 H SER 376 6.092 9.587 -16.638 447 HA SER 376 HA SER 376 7.949 10.656 -18.432 448 1HB SER 376 2HB SER 376 4.968 10.457 -18.880 449 2HB SER 376 1HB SER 376 6.235 10.443 -20.105 450 HG SER 376 HG SER 376 5.418 8.339 -19.573 451 H LEU 377 H LEU 377 5.845 12.274 -16.294 452 HA LEU 377 HA LEU 377 6.226 14.766 -17.814 453 1HB LEU 377 2HB LEU 377 3.820 13.535 -16.846 454 2HB LEU 377 1HB LEU 377 4.028 15.104 -16.102 455 HG LEU 377 HG LEU 377 4.396 15.956 -18.512 456 1HD1 LEU 377 1HD1 LEU 377 3.037 13.323 -19.045 457 2HD1 LEU 377 2HD1 LEU 377 4.633 13.820 -19.608 458 3HD1 LEU 377 3HD1 LEU 377 3.190 14.638 -20.210 459 1HD2 LEU 377 1HD2 LEU 377 1.741 15.676 -18.797 460 2HD2 LEU 377 2HD2 LEU 377 2.485 16.816 -17.676 461 3HD2 LEU 377 3HD2 LEU 377 1.913 15.252 -17.095 462 H ILE 378 H ILE 378 6.273 13.202 -14.667 463 HA ILE 378 HA ILE 378 7.664 15.555 -13.612 464 HB ILE 378 HB ILE 378 5.518 14.214 -11.988 465 1HG1 ILE 378 2HG1 ILE 378 4.629 15.244 -14.110 466 2HG1 ILE 378 1HG1 ILE 378 3.980 15.929 -12.621 467 1HG2 ILE 378 1HG2 ILE 378 7.552 15.978 -11.328 468 2HG2 ILE 378 2HG2 ILE 378 6.117 15.621 -10.366 469 3HG2 ILE 378 3HG2 ILE 378 6.121 17.000 -11.466 470 1HD1 ILE 378 1HD1 ILE 378 4.688 17.953 -13.178 471 2HD1 ILE 378 2HD1 ILE 378 5.128 17.297 -14.755 472 3HD1 ILE 378 3HD1 ILE 378 6.326 17.364 -13.463 473 H GLY 379 H GLY 379 8.895 13.190 -14.357 474 1HA GLY 379 2HA GLY 379 9.867 12.281 -11.739 475 2HA GLY 379 1HA GLY 379 9.358 11.069 -12.901 476 H TYR 380 H TYR 380 11.588 13.794 -12.484 477 HA TYR 380 HA TYR 380 13.348 12.618 -14.513 478 1HB TYR 380 2HB TYR 380 14.550 14.964 -13.769 479 2HB TYR 380 1HB TYR 380 13.435 14.785 -15.119 480 HD1 TYR 380 HD1 TYR 380 10.897 15.066 -14.524 481 HD2 TYR 380 HD2 TYR 380 14.094 16.540 -12.135 482 HE1 TYR 380 HE1 TYR 380 9.364 16.675 -13.476 483 HE2 TYR 380 HE2 TYR 380 12.568 18.151 -11.079 484 HH TYR 380 HH TYR 380 9.619 18.011 -10.847 485 H ALA 381 H ALA 381 14.102 14.494 -11.592 486 HA ALA 381 HA ALA 381 15.104 12.569 -9.944 487 1HB ALA 381 1HB ALA 381 17.641 12.900 -10.506 488 2HB ALA 381 2HB ALA 381 17.025 13.216 -12.128 489 3HB ALA 381 3HB ALA 381 16.688 11.674 -11.341 490 H SER 382 H SER 382 14.226 14.267 -8.650 491 HA SER 382 HA SER 382 16.103 15.821 -7.326 492 1HB SER 382 2HB SER 382 16.307 17.239 -9.243 493 2HB SER 382 1HB SER 382 14.557 17.331 -9.437 494 HG SER 382 HG SER 382 16.229 18.680 -7.679 495 H LEU 383 H LEU 383 12.830 16.667 -8.446 496 HA LEU 383 HA LEU 383 11.747 17.611 -6.150 497 1HB LEU 383 2HB LEU 383 9.565 16.881 -6.945 498 2HB LEU 383 1HB LEU 383 10.527 17.535 -8.258 499 HG LEU 383 HG LEU 383 10.159 14.584 -7.725 500 1HD1 LEU 383 1HD1 LEU 383 8.972 15.797 -10.123 501 2HD1 LEU 383 2HD1 LEU 383 8.202 16.235 -8.598 502 3HD1 LEU 383 3HD1 LEU 383 8.350 14.540 -9.057 503 1HD2 LEU 383 1HD2 LEU 383 10.952 14.530 -10.166 504 2HD2 LEU 383 2HD2 LEU 383 12.155 14.816 -8.910 505 3HD2 LEU 383 3HD2 LEU 383 11.541 16.165 -9.866 506 H ARG 384 H ARG 384 12.544 14.309 -6.861 507 HA ARG 384 HA ARG 384 12.570 12.425 -5.590 508 1HB ARG 384 2HB ARG 384 13.437 14.301 -3.917 509 2HB ARG 384 1HB ARG 384 11.927 13.926 -3.097 510 1HG ARG 384 2HG ARG 384 12.985 12.258 -2.099 511 2HG ARG 384 1HG ARG 384 13.052 11.449 -3.666 512 1HD ARG 384 2HD ARG 384 15.147 13.093 -3.936 513 2HD ARG 384 1HD ARG 384 15.158 12.904 -2.182 514 HE ARG 384 HE ARG 384 14.946 10.357 -3.155 515 1HH1 ARG 384 1HH1 ARG 384 17.180 12.993 -3.580 516 2HH1 ARG 384 2HH1 ARG 384 18.541 11.963 -3.872 517 1HH2 ARG 384 1HH2 ARG 384 16.733 8.991 -3.534 518 2HH2 ARG 384 2HH2 ARG 384 18.288 9.687 -3.846 519 H LEU 385 H LEU 385 10.287 12.695 -6.877 520 HA LEU 385 HA LEU 385 7.991 12.715 -5.162 521 1HB LEU 385 2HB LEU 385 8.104 13.367 -7.633 522 2HB LEU 385 1HB LEU 385 8.097 11.647 -7.969 523 HG LEU 385 HG LEU 385 5.926 12.965 -6.354 524 1HD1 LEU 385 1HD1 LEU 385 5.079 13.907 -8.169 525 2HD1 LEU 385 2HD1 LEU 385 5.067 12.346 -8.990 526 3HD1 LEU 385 3HD1 LEU 385 6.488 13.387 -9.094 527 1HD2 LEU 385 1HD2 LEU 385 4.649 10.989 -7.083 528 2HD2 LEU 385 2HD2 LEU 385 6.075 10.556 -6.140 529 3HD2 LEU 385 3HD2 LEU 385 6.090 10.376 -7.895 530 H HIS 386 H HIS 386 7.127 11.073 -4.080 531 HA HIS 386 HA HIS 386 7.517 8.341 -5.000 532 1HB HIS 386 2HB HIS 386 8.541 7.523 -2.987 533 2HB HIS 386 1HB HIS 386 9.519 8.846 -3.611 534 HD1 HIS 386 HD1 HIS 386 9.992 10.734 -2.042 535 HD2 HIS 386 HD2 HIS 386 6.913 8.291 -0.697 536 HE1 HIS 386 HE1 HIS 386 9.468 11.534 0.284 537 HE2 HIS 386 HE2 HIS 386 7.650 9.994 1.104 538 H TYR 387 H TYR 387 5.976 6.938 -4.373 539 HA TYR 387 HA TYR 387 3.684 8.069 -2.979 540 1HB TYR 387 2HB TYR 387 4.096 5.575 -4.617 541 2HB TYR 387 1HB TYR 387 2.632 5.837 -3.672 542 HD1 TYR 387 HD1 TYR 387 0.871 7.061 -4.562 543 HD2 TYR 387 HD2 TYR 387 4.730 7.374 -6.313 544 HE1 TYR 387 HE1 TYR 387 -0.082 8.392 -6.389 545 HE2 TYR 387 HE2 TYR 387 3.803 8.704 -8.147 546 HH TYR 387 HH TYR 387 1.920 10.051 -8.675 547 H VAL 388 H VAL 388 2.546 6.775 -1.384 548 HA VAL 388 HA VAL 388 4.237 4.898 0.089 549 HB VAL 388 HB VAL 388 2.939 6.195 2.129 550 1HG1 VAL 388 1HG1 VAL 388 5.245 5.395 2.128 551 2HG1 VAL 388 2HG1 VAL 388 5.157 7.059 2.709 552 3HG1 VAL 388 3HG1 VAL 388 5.716 6.725 1.067 553 1HG2 VAL 388 1HG2 VAL 388 2.299 7.978 0.506 554 2HG2 VAL 388 2HG2 VAL 388 4.010 8.343 0.308 555 3HG2 VAL 388 3HG2 VAL 388 3.238 8.550 1.881 556 H THR 389 H THR 389 3.152 3.232 0.994 557 HA THR 389 HA THR 389 0.284 3.113 0.401 558 HB THR 389 HB THR 389 2.277 1.286 -0.122 559 HG1 THR 389 HG1 THR 389 -0.373 0.389 0.212 560 1HG2 THR 389 1HG2 THR 389 1.619 -0.729 1.221 561 2HG2 THR 389 2HG2 THR 389 0.758 0.359 2.315 562 3HG2 THR 389 3HG2 THR 389 2.507 0.499 2.124 563 H VAL 390 H VAL 390 -1.023 3.616 2.013 564 HA VAL 390 HA VAL 390 -0.254 2.762 4.724 565 HB VAL 390 HB VAL 390 -1.418 4.694 5.645 566 1HG1 VAL 390 1HG1 VAL 390 0.942 4.937 5.252 567 2HG1 VAL 390 2HG1 VAL 390 0.139 6.461 4.873 568 3HG1 VAL 390 3HG1 VAL 390 0.657 5.389 3.572 569 1HG2 VAL 390 1HG2 VAL 390 -3.085 5.412 4.295 570 2HG2 VAL 390 2HG2 VAL 390 -2.180 5.087 2.816 571 3HG2 VAL 390 3HG2 VAL 390 -1.837 6.537 3.760 572 H LYS 391 H LYS 391 -1.847 2.015 6.077 573 HA LYS 391 HA LYS 391 -3.879 1.196 6.731 574 1HB LYS 391 2HB LYS 391 -4.743 3.145 5.235 575 2HB LYS 391 1HB LYS 391 -5.095 1.867 4.081 576 1HG LYS 391 2HG LYS 391 -6.124 1.934 6.907 577 2HG LYS 391 1HG LYS 391 -7.024 2.500 5.498 578 1HD LYS 391 2HD LYS 391 -6.822 0.234 4.516 579 2HD LYS 391 1HD LYS 391 -6.034 -0.305 6.000 580 1HE LYS 391 2HE LYS 391 -8.034 0.281 7.277 581 2HE LYS 391 1HE LYS 391 -8.820 0.833 5.799 582 1HZ LYS 391 1HZ LYS 391 -9.302 -1.249 5.194 583 2HZ LYS 391 2HZ LYS 391 -9.012 -1.655 6.809 584 3HZ LYS 391 3HZ LYS 391 -7.793 -1.857 5.654 585 H LYS 392 H LYS 392 -2.093 -0.558 6.023 586 HA LYS 392 HA LYS 392 -2.146 -2.196 3.921 587 1HB LYS 392 2HB LYS 392 -2.371 -3.264 6.738 588 2HB LYS 392 1HB LYS 392 -1.620 -4.063 5.363 589 1HG LYS 392 2HG LYS 392 -0.447 -1.470 5.815 590 2HG LYS 392 1HG LYS 392 -0.378 -2.465 7.270 591 1HD LYS 392 2HD LYS 392 1.197 -3.785 6.398 592 2HD LYS 392 1HD LYS 392 0.308 -3.969 4.884 593 1HE LYS 392 2HE LYS 392 1.195 -1.393 4.714 594 2HE LYS 392 1HE LYS 392 2.523 -2.178 5.570 595 1HZ LYS 392 1HZ LYS 392 1.902 -3.915 3.563 596 2HZ LYS 392 2HZ LYS 392 3.203 -2.833 3.573 597 3HZ LYS 392 3HZ LYS 392 1.749 -2.400 2.826 598 HA PRO 393 HA PRO 393 -6.269 -3.600 3.245 599 1HB PRO 393 2HB PRO 393 -5.186 -6.077 2.141 600 2HB PRO 393 1HB PRO 393 -6.082 -4.795 1.331 601 1HG PRO 393 2HG PRO 393 -3.439 -5.229 0.906 602 2HG PRO 393 1HG PRO 393 -4.189 -3.629 0.782 603 1HD PRO 393 2HD PRO 393 -2.520 -4.779 2.971 604 2HD PRO 393 1HD PRO 393 -2.593 -3.113 2.359 605 H THR 394 H THR 394 -7.720 -5.341 3.775 606 HA THR 394 HA THR 394 -6.698 -7.155 5.859 607 HB THR 394 HB THR 394 -8.878 -6.794 7.087 608 HG1 THR 394 HG1 THR 394 -9.064 -4.279 5.864 609 1HG2 THR 394 1HG2 THR 394 -6.480 -5.348 7.157 610 2HG2 THR 394 2HG2 THR 394 -7.680 -5.500 8.441 611 3HG2 THR 394 3HG2 THR 394 -7.766 -4.151 7.308 612 H ALA 395 H ALA 395 -8.060 -9.000 6.305 613 HA ALA 395 HA ALA 395 -9.176 -10.098 3.878 614 1HB ALA 395 1HB ALA 395 -8.814 -12.118 4.785 615 2HB ALA 395 2HB ALA 395 -9.458 -11.639 6.357 616 3HB ALA 395 3HB ALA 395 -7.804 -11.220 5.916 617 H VAL 396 H VAL 396 -10.395 -7.990 5.894 618 HA VAL 396 HA VAL 396 -13.105 -9.047 5.690 619 HB VAL 396 HB VAL 396 -13.697 -7.834 7.786 620 1HG1 VAL 396 1HG1 VAL 396 -12.449 -10.323 7.484 621 2HG1 VAL 396 2HG1 VAL 396 -13.484 -9.792 8.810 622 3HG1 VAL 396 3HG1 VAL 396 -11.735 -9.594 8.923 623 1HG2 VAL 396 1HG2 VAL 396 -11.088 -7.755 8.953 624 2HG2 VAL 396 2HG2 VAL 396 -12.260 -6.452 8.763 625 3HG2 VAL 396 3HG2 VAL 396 -11.099 -6.787 7.479 626 H ASP 397 H ASP 397 -10.905 -6.607 5.149 627 HA ASP 397 HA ASP 397 -12.798 -4.990 3.719 628 1HB ASP 397 2HB ASP 397 -11.201 -3.508 5.778 629 2HB ASP 397 1HB ASP 397 -12.694 -3.032 4.974 630 HA PRO 398 HA PRO 398 -8.424 -5.803 2.043 631 1HB PRO 398 2HB PRO 398 -10.257 -5.359 -0.283 632 2HB PRO 398 1HB PRO 398 -8.877 -6.454 -0.136 633 1HG PRO 398 2HG PRO 398 -11.372 -7.358 0.115 634 2HG PRO 398 1HG PRO 398 -10.060 -7.995 1.121 635 1HD PRO 398 2HD PRO 398 -12.311 -6.225 1.860 636 2HD PRO 398 1HD PRO 398 -11.355 -7.321 2.875 637 H ASN 399 H ASN 399 -10.846 -3.372 1.097 638 HA ASN 399 HA ASN 399 -9.560 -1.603 -0.373 639 1HB ASN 399 2HB ASN 399 -10.775 0.221 0.766 640 2HB ASN 399 1HB ASN 399 -11.800 -1.180 0.470 641 1HD2 ASN 399 1HD2 ASN 399 -10.099 0.671 2.858 642 2HD2 ASN 399 2HD2 ASN 399 -10.906 0.008 4.229 643 H SER 400 H SER 400 -8.006 -0.063 -0.268 644 HA SER 400 HA SER 400 -6.630 0.422 2.261 645 1HB SER 400 2HB SER 400 -5.456 -0.934 -0.126 646 2HB SER 400 1HB SER 400 -4.437 0.192 0.771 647 HG SER 400 HG SER 400 -4.382 -1.150 2.414 648 H ILE 401 H ILE 401 -5.070 2.271 2.077 649 HA ILE 401 HA ILE 401 -5.910 4.137 -0.034 650 HB ILE 401 HB ILE 401 -6.924 4.814 2.023 651 1HG1 ILE 401 2HG1 ILE 401 -5.118 6.903 2.412 652 2HG1 ILE 401 1HG1 ILE 401 -4.859 6.415 0.742 653 1HG2 ILE 401 1HG2 ILE 401 -4.207 4.375 3.159 654 2HG2 ILE 401 2HG2 ILE 401 -5.764 3.768 3.717 655 3HG2 ILE 401 3HG2 ILE 401 -5.346 5.465 3.949 656 1HD1 ILE 401 1HD1 ILE 401 -7.161 7.741 1.994 657 2HD1 ILE 401 2HD1 ILE 401 -7.546 6.499 0.800 658 3HD1 ILE 401 3HD1 ILE 401 -6.524 7.865 0.353 659 H VAL 402 H VAL 402 -4.387 5.382 -0.977 660 HA VAL 402 HA VAL 402 -1.593 4.746 -0.339 661 HB VAL 402 HB VAL 402 -2.109 6.274 -2.806 662 1HG1 VAL 402 1HG1 VAL 402 -0.489 3.891 -1.974 663 2HG1 VAL 402 2HG1 VAL 402 0.060 5.467 -2.543 664 3HG1 VAL 402 3HG1 VAL 402 -0.670 4.327 -3.672 665 1HG2 VAL 402 1HG2 VAL 402 -3.953 5.067 -3.344 666 2HG2 VAL 402 2HG2 VAL 402 -3.553 3.754 -2.237 667 3HG2 VAL 402 3HG2 VAL 402 -2.750 3.862 -3.805 668 H GLU 403 H GLU 403 -0.143 6.735 -1.171 669 HA GLU 403 HA GLU 403 -1.256 9.296 -0.389 670 1HB GLU 403 2HB GLU 403 0.404 7.708 1.409 671 2HB GLU 403 1HB GLU 403 1.098 9.290 1.079 672 1HG GLU 403 2HG GLU 403 -1.753 9.386 1.666 673 2HG GLU 403 1HG GLU 403 -0.786 8.722 2.983 674 H CYS 404 H CYS 404 -0.707 10.427 -2.113 675 HA CYS 404 HA CYS 404 1.781 9.941 -3.502 676 1HB CYS 404 2HB CYS 404 -0.592 10.692 -4.447 677 2HB CYS 404 1HB CYS 404 0.057 12.296 -4.129 678 HG CYS 404 HG CYS 404 1.067 12.058 -6.345 679 H ARG 405 H ARG 405 3.632 10.832 -2.837 680 HA ARG 405 HA ARG 405 3.623 13.597 -2.019 681 1HB ARG 405 2HB ARG 405 4.150 13.384 0.177 682 2HB ARG 405 1HB ARG 405 3.242 11.889 -0.008 683 1HG ARG 405 2HG ARG 405 5.358 10.677 -0.351 684 2HG ARG 405 1HG ARG 405 6.240 12.183 -0.084 685 1HD ARG 405 2HD ARG 405 4.275 11.220 1.950 686 2HD ARG 405 1HD ARG 405 5.888 10.512 1.886 687 HE ARG 405 HE ARG 405 6.517 13.073 1.979 688 1HH1 ARG 405 1HH1 ARG 405 4.105 11.330 3.795 689 2HH1 ARG 405 2HH1 ARG 405 4.204 12.375 5.173 690 1HH2 ARG 405 1HH2 ARG 405 6.652 14.452 3.793 691 2HH2 ARG 405 2HH2 ARG 405 5.648 14.146 5.172 692 H VAL 406 H VAL 406 5.943 14.288 -1.421 693 HA VAL 406 HA VAL 406 7.927 12.759 -2.945 694 HB VAL 406 HB VAL 406 8.641 14.613 -4.232 695 1HG1 VAL 406 1HG1 VAL 406 6.112 13.549 -4.497 696 2HG1 VAL 406 2HG1 VAL 406 6.967 14.508 -5.708 697 3HG1 VAL 406 3HG1 VAL 406 5.836 15.288 -4.599 698 1HG2 VAL 406 1HG2 VAL 406 7.249 16.133 -2.167 699 2HG2 VAL 406 2HG2 VAL 406 7.001 16.755 -3.796 700 3HG2 VAL 406 3HG2 VAL 406 8.636 16.578 -3.159 701 H GLY 407 H GLY 407 9.963 12.833 -2.121 702 1HA GLY 407 2HA GLY 407 10.562 13.225 0.438 703 2HA GLY 407 1HA GLY 407 11.740 13.546 -0.820 704 H ASP 408 H ASP 408 10.416 15.852 -1.910 705 HA ASP 408 HA ASP 408 11.573 17.878 -0.402 706 1HB ASP 408 2HB ASP 408 10.703 17.891 -2.849 707 2HB ASP 408 1HB ASP 408 9.170 18.384 -2.138 708 H GLY 409 H GLY 409 8.673 16.176 0.098 709 1HA GLY 409 2HA GLY 409 7.459 16.265 2.116 710 2HA GLY 409 1HA GLY 409 8.022 17.913 2.356 711 H THR 410 H THR 410 6.475 16.378 -0.436 712 HA THR 410 HA THR 410 4.200 18.225 -0.116 713 HB THR 410 HB THR 410 5.739 17.651 -2.647 714 HG1 THR 410 HG1 THR 410 5.507 20.148 -2.509 715 1HG2 THR 410 1HG2 THR 410 3.159 17.701 -2.832 716 2HG2 THR 410 2HG2 THR 410 4.110 18.701 -3.927 717 3HG2 THR 410 3HG2 THR 410 3.332 19.429 -2.523 718 H VAL 411 H VAL 411 2.448 17.020 0.215 719 HA VAL 411 HA VAL 411 2.216 14.313 -0.829 720 HB VAL 411 HB VAL 411 0.170 15.920 0.708 721 1HG1 VAL 411 1HG1 VAL 411 -0.140 13.266 1.343 722 2HG1 VAL 411 2HG1 VAL 411 0.243 13.215 -0.375 723 3HG1 VAL 411 3HG1 VAL 411 -1.125 14.170 0.194 724 1HG2 VAL 411 1HG2 VAL 411 1.542 13.894 2.231 725 2HG2 VAL 411 2HG2 VAL 411 1.303 15.604 2.591 726 3HG2 VAL 411 3HG2 VAL 411 2.671 15.093 1.603 727 H LEU 412 H LEU 412 2.133 14.735 -3.087 728 HA LEU 412 HA LEU 412 0.581 16.512 -4.455 729 1HB LEU 412 2HB LEU 412 1.000 13.634 -5.253 730 2HB LEU 412 1HB LEU 412 0.557 14.948 -6.323 731 HG LEU 412 HG LEU 412 2.708 15.290 -6.754 732 1HD1 LEU 412 1HD1 LEU 412 2.409 16.768 -4.605 733 2HD1 LEU 412 2HD1 LEU 412 3.995 16.537 -5.335 734 3HD1 LEU 412 3HD1 LEU 412 3.537 15.603 -3.913 735 1HD2 LEU 412 1HD2 LEU 412 3.618 13.262 -6.556 736 2HD2 LEU 412 2HD2 LEU 412 2.849 12.960 -4.999 737 3HD2 LEU 412 3HD2 LEU 412 4.345 13.893 -5.078 738 H GLY 413 H GLY 413 -0.513 13.804 -2.599 739 1HA GLY 413 2HA GLY 413 -3.125 14.570 -2.407 740 2HA GLY 413 1HA GLY 413 -3.080 13.617 -3.881 741 H THR 414 H THR 414 -4.504 12.130 -2.944 742 HA THR 414 HA THR 414 -3.177 10.030 -1.457 743 HB THR 414 HB THR 414 -5.751 11.064 -0.286 744 HG1 THR 414 HG1 THR 414 -4.460 12.767 0.160 745 1HG2 THR 414 1HG2 THR 414 -5.220 9.728 1.573 746 2HG2 THR 414 2HG2 THR 414 -3.541 9.546 1.070 747 3HG2 THR 414 3HG2 THR 414 -4.822 8.733 0.174 748 H GLY 415 H GLY 415 -4.383 8.022 -1.487 749 1HA GLY 415 2HA GLY 415 -6.745 8.063 -3.256 750 2HA GLY 415 1HA GLY 415 -5.381 7.052 -3.692 751 H VAL 416 H VAL 416 -7.965 6.078 -3.334 752 HA VAL 416 HA VAL 416 -7.476 4.154 -1.204 753 HB VAL 416 HB VAL 416 -9.006 6.140 -0.441 754 1HG1 VAL 416 1HG1 VAL 416 -11.130 4.416 -1.676 755 2HG1 VAL 416 2HG1 VAL 416 -10.470 5.824 -2.509 756 3HG1 VAL 416 3HG1 VAL 416 -11.287 6.020 -0.959 757 1HG2 VAL 416 1HG2 VAL 416 -8.851 4.553 1.174 758 2HG2 VAL 416 2HG2 VAL 416 -9.200 3.231 0.061 759 3HG2 VAL 416 3HG2 VAL 416 -10.513 4.228 0.686 760 H GLY 417 H GLY 417 -8.433 2.132 -1.591 761 1HA GLY 417 2HA GLY 417 -10.295 1.805 -3.771 762 2HA GLY 417 1HA GLY 417 -8.677 1.237 -4.140 763 H ARG 418 H ARG 418 -11.499 0.052 -3.520 764 HA ARG 418 HA ARG 418 -11.393 -1.569 -1.272 765 1HB ARG 418 2HB ARG 418 -13.456 -1.519 -2.342 766 2HB ARG 418 1HB ARG 418 -12.753 -1.785 -3.929 767 1HG ARG 418 2HG ARG 418 -12.157 -4.135 -2.970 768 2HG ARG 418 1HG ARG 418 -13.419 -3.761 -1.796 769 1HD ARG 418 2HD ARG 418 -13.885 -3.444 -4.742 770 2HD ARG 418 1HD ARG 418 -14.067 -5.012 -3.954 771 HE ARG 418 HE ARG 418 -15.527 -2.817 -2.749 772 1HH1 ARG 418 1HH1 ARG 418 -15.583 -5.510 -4.961 773 2HH1 ARG 418 2HH1 ARG 418 -17.307 -5.674 -4.917 774 1HH2 ARG 418 1HH2 ARG 418 -17.791 -3.027 -2.682 775 2HH2 ARG 418 2HH2 ARG 418 -18.564 -4.260 -3.621 776 H ASN 419 H ASN 419 -10.415 -2.386 -4.582 777 HA ASN 419 HA ASN 419 -9.209 -4.864 -3.746 778 1HB ASN 419 2HB ASN 419 -8.464 -3.850 -6.401 779 2HB ASN 419 1HB ASN 419 -9.167 -5.397 -5.944 780 1HD2 ASN 419 1HD2 ASN 419 -9.685 -2.545 -7.538 781 2HD2 ASN 419 2HD2 ASN 419 -11.409 -2.594 -7.638 782 H ILE 420 H ILE 420 -8.280 -1.594 -3.907 783 HA ILE 420 HA ILE 420 -6.406 -0.670 -3.031 784 HB ILE 420 HB ILE 420 -4.525 -1.745 -2.398 785 1HG1 ILE 420 2HG1 ILE 420 -4.008 -4.127 -3.478 786 2HG1 ILE 420 1HG1 ILE 420 -4.928 -3.440 -4.812 787 1HG2 ILE 420 1HG2 ILE 420 -5.709 -4.351 -2.224 788 2HG2 ILE 420 2HG2 ILE 420 -6.919 -3.106 -1.913 789 3HG2 ILE 420 3HG2 ILE 420 -5.438 -3.155 -0.957 790 1HD1 ILE 420 1HD1 ILE 420 -3.362 -1.437 -4.645 791 2HD1 ILE 420 2HD1 ILE 420 -2.708 -2.941 -5.299 792 3HD1 ILE 420 3HD1 ILE 420 -2.353 -2.476 -3.637 793 H LYS 421 H LYS 421 -6.114 -2.650 -5.982 794 HA LYS 421 HA LYS 421 -4.080 -1.202 -7.202 795 1HB LYS 421 2HB LYS 421 -4.581 -2.942 -8.564 796 2HB LYS 421 1HB LYS 421 -6.287 -2.917 -8.151 797 1HG LYS 421 2HG LYS 421 -5.042 -0.873 -9.958 798 2HG LYS 421 1HG LYS 421 -5.664 -2.414 -10.555 799 1HD LYS 421 2HD LYS 421 -7.759 -1.592 -9.070 800 2HD LYS 421 1HD LYS 421 -7.099 -0.035 -9.571 801 1HE LYS 421 2HE LYS 421 -7.208 -0.718 -11.904 802 2HE LYS 421 1HE LYS 421 -7.818 -2.301 -11.427 803 1HZ LYS 421 1HZ LYS 421 -9.582 -0.692 -10.238 804 2HZ LYS 421 2HZ LYS 421 -9.794 -1.330 -11.791 805 3HZ LYS 421 3HZ LYS 421 -9.199 0.242 -11.597 806 H ILE 422 H ILE 422 -7.559 -0.643 -7.113 807 HA ILE 422 HA ILE 422 -7.679 1.662 -8.675 808 HB ILE 422 HB ILE 422 -9.305 1.901 -6.252 809 1HG1 ILE 422 2HG1 ILE 422 -10.816 -0.040 -7.112 810 2HG1 ILE 422 1HG1 ILE 422 -9.318 -0.661 -7.804 811 1HG2 ILE 422 1HG2 ILE 422 -9.807 3.195 -8.183 812 2HG2 ILE 422 2HG2 ILE 422 -11.119 2.034 -7.953 813 3HG2 ILE 422 3HG2 ILE 422 -9.899 1.752 -9.195 814 1HD1 ILE 422 1HD1 ILE 422 -8.466 -0.161 -5.326 815 2HD1 ILE 422 2HD1 ILE 422 -9.197 -1.691 -5.812 816 3HD1 ILE 422 3HD1 ILE 422 -10.173 -0.470 -4.994 817 H ALA 423 H ALA 423 -6.705 1.085 -5.362 818 HA ALA 423 HA ALA 423 -6.412 3.801 -4.605 819 1HB ALA 423 1HB ALA 423 -5.843 2.960 -2.611 820 2HB ALA 423 2HB ALA 423 -4.599 1.915 -3.303 821 3HB ALA 423 3HB ALA 423 -6.289 1.397 -3.303 822 H GLY 424 H GLY 424 -4.214 1.359 -5.959 823 1HA GLY 424 2HA GLY 424 -1.889 2.978 -5.921 824 2HA GLY 424 1HA GLY 424 -2.153 1.585 -6.964 825 H ILE 425 H ILE 425 -3.864 2.055 -8.748 826 HA ILE 425 HA ILE 425 -2.805 3.916 -10.520 827 HB ILE 425 HB ILE 425 -5.650 2.898 -10.456 828 1HG1 ILE 425 2HG1 ILE 425 -3.379 1.825 -12.120 829 2HG1 ILE 425 1HG1 ILE 425 -3.703 1.211 -10.502 830 1HG2 ILE 425 1HG2 ILE 425 -4.774 3.320 -13.087 831 2HG2 ILE 425 2HG2 ILE 425 -4.320 4.763 -12.179 832 3HG2 ILE 425 3HG2 ILE 425 -6.000 4.225 -12.198 833 1HD1 ILE 425 1HD1 ILE 425 -5.342 0.967 -12.982 834 2HD1 ILE 425 2HD1 ILE 425 -6.103 0.847 -11.396 835 3HD1 ILE 425 3HD1 ILE 425 -4.825 -0.281 -11.849 836 H ARG 426 H ARG 426 -5.489 4.263 -8.235 837 HA ARG 426 HA ARG 426 -6.380 6.799 -9.007 838 1HB ARG 426 2HB ARG 426 -7.712 5.564 -7.459 839 2HB ARG 426 1HB ARG 426 -6.372 5.406 -6.332 840 1HG ARG 426 2HG ARG 426 -7.946 7.010 -5.492 841 2HG ARG 426 1HG ARG 426 -6.448 7.831 -5.931 842 1HD ARG 426 2HD ARG 426 -7.392 8.876 -7.750 843 2HD ARG 426 1HD ARG 426 -8.630 7.635 -7.951 844 HE ARG 426 HE ARG 426 -8.860 10.025 -6.447 845 1HH1 ARG 426 1HH1 ARG 426 -9.776 6.666 -6.442 846 2HH1 ARG 426 2HH1 ARG 426 -11.193 6.919 -5.478 847 1HH2 ARG 426 1HH2 ARG 426 -10.719 10.370 -5.168 848 2HH2 ARG 426 2HH2 ARG 426 -11.729 9.026 -4.753 849 H ALA 427 H ALA 427 -4.085 5.927 -6.415 850 HA ALA 427 HA ALA 427 -3.302 8.366 -5.524 851 1HB ALA 427 1HB ALA 427 -2.277 5.826 -5.296 852 2HB ALA 427 2HB ALA 427 -1.602 7.276 -4.551 853 3HB ALA 427 3HB ALA 427 -0.972 6.702 -6.096 854 H ALA 428 H ALA 428 -2.224 6.749 -8.479 855 HA ALA 428 HA ALA 428 -0.382 8.619 -9.382 856 1HB ALA 428 1HB ALA 428 -1.052 6.343 -10.399 857 2HB ALA 428 2HB ALA 428 -0.558 7.640 -11.487 858 3HB ALA 428 3HB ALA 428 -2.269 7.268 -11.277 859 H GLU 429 H GLU 429 -3.791 8.385 -10.396 860 HA GLU 429 HA GLU 429 -4.023 10.758 -11.760 861 1HB GLU 429 2HB GLU 429 -5.827 8.872 -10.509 862 2HB GLU 429 1HB GLU 429 -6.435 10.515 -10.351 863 1HG GLU 429 2HG GLU 429 -5.477 10.053 -13.019 864 2HG GLU 429 1HG GLU 429 -6.648 8.819 -12.556 865 H ASN 430 H ASN 430 -3.934 10.210 -8.315 866 HA ASN 430 HA ASN 430 -4.842 12.765 -7.489 867 1HB ASN 430 2HB ASN 430 -3.022 10.870 -5.995 868 2HB ASN 430 1HB ASN 430 -3.982 12.172 -5.303 869 1HD2 ASN 430 1HD2 ASN 430 -6.223 11.589 -7.119 870 2HD2 ASN 430 2HD2 ASN 430 -6.991 10.185 -6.473 871 H ALA 431 H ALA 431 -1.706 11.505 -8.456 872 HA ALA 431 HA ALA 431 -0.195 13.699 -7.458 873 1HB ALA 431 1HB ALA 431 0.827 12.197 -9.794 874 2HB ALA 431 2HB ALA 431 0.528 11.290 -8.314 875 3HB ALA 431 3HB ALA 431 1.637 12.660 -8.297 876 H LEU 432 H LEU 432 -1.443 12.870 -10.684 877 HA LEU 432 HA LEU 432 -0.648 15.505 -11.632 878 1HB LEU 432 2HB LEU 432 -1.357 14.785 -13.842 879 2HB LEU 432 1HB LEU 432 -0.225 13.655 -13.136 880 HG LEU 432 HG LEU 432 -2.119 12.645 -14.445 881 1HD1 LEU 432 1HD1 LEU 432 -2.373 11.601 -11.699 882 2HD1 LEU 432 2HD1 LEU 432 -0.757 11.650 -12.402 883 3HD1 LEU 432 3HD1 LEU 432 -2.046 10.756 -13.210 884 1HD2 LEU 432 1HD2 LEU 432 -4.300 12.522 -13.541 885 2HD2 LEU 432 2HD2 LEU 432 -3.850 14.227 -13.535 886 3HD2 LEU 432 3HD2 LEU 432 -3.798 13.296 -12.038 887 H ARG 433 H ARG 433 -2.923 14.773 -9.701 888 HA ARG 433 HA ARG 433 -5.240 15.813 -11.098 889 1HB ARG 433 2HB ARG 433 -5.912 14.194 -9.592 890 2HB ARG 433 1HB ARG 433 -4.708 14.654 -8.397 891 1HG ARG 433 2HG ARG 433 -5.992 16.545 -7.722 892 2HG ARG 433 1HG ARG 433 -7.119 16.327 -9.063 893 1HD ARG 433 2HD ARG 433 -7.481 13.971 -8.002 894 2HD ARG 433 1HD ARG 433 -6.820 14.729 -6.554 895 HE ARG 433 HE ARG 433 -9.431 15.057 -7.579 896 1HH1 ARG 433 1HH1 ARG 433 -6.842 16.836 -6.076 897 2HH1 ARG 433 2HH1 ARG 433 -7.892 18.008 -5.353 898 1HH2 ARG 433 1HH2 ARG 433 -10.825 16.594 -6.635 899 2HH2 ARG 433 2HH2 ARG 433 -10.160 17.869 -5.669 900 H ASP 434 H ASP 434 -2.553 17.221 -9.978 901 HA ASP 434 HA ASP 434 -4.004 19.659 -9.195 902 1HB ASP 434 2HB ASP 434 -2.648 18.378 -7.372 903 2HB ASP 434 1HB ASP 434 -1.252 19.103 -8.162 904 H LYS 435 H LYS 435 -3.934 20.545 -11.210 905 HA LYS 435 HA LYS 435 -1.783 20.619 -12.968 906 1HB LYS 435 2HB LYS 435 -2.920 22.376 -14.107 907 2HB LYS 435 1HB LYS 435 -4.154 21.307 -13.457 908 1HG LYS 435 2HG LYS 435 -3.370 23.581 -11.752 909 2HG LYS 435 1HG LYS 435 -4.236 23.971 -13.235 910 1HD LYS 435 2HD LYS 435 -5.695 21.877 -12.268 911 2HD LYS 435 1HD LYS 435 -5.180 22.679 -10.782 912 1HE LYS 435 2HE LYS 435 -7.272 23.627 -11.432 913 2HE LYS 435 1HE LYS 435 -6.015 24.825 -11.740 914 1HZ LYS 435 1HZ LYS 435 -7.334 24.858 -13.640 915 2HZ LYS 435 2HZ LYS 435 -7.492 23.174 -13.695 916 3HZ LYS 435 3HZ LYS 435 -6.016 23.898 -14.095 917 H LYS 436 H LYS 436 -2.494 22.594 -10.167 918 HA LYS 436 HA LYS 436 -0.610 24.646 -10.673 919 1HB LYS 436 2HB LYS 436 -1.636 23.692 -7.995 920 2HB LYS 436 1HB LYS 436 -0.896 25.250 -8.337 921 1HG LYS 436 2HG LYS 436 -2.758 26.027 -9.479 922 2HG LYS 436 1HG LYS 436 -3.383 24.401 -9.763 923 1HD LYS 436 2HD LYS 436 -3.114 25.456 -6.973 924 2HD LYS 436 1HD LYS 436 -4.505 25.898 -7.964 925 1HE LYS 436 2HE LYS 436 -3.710 23.030 -7.670 926 2HE LYS 436 1HE LYS 436 -4.643 23.825 -6.404 927 1HZ LYS 436 1HZ LYS 436 -5.606 24.142 -9.136 928 2HZ LYS 436 2HZ LYS 436 -6.475 23.941 -7.697 929 3HZ LYS 436 3HZ LYS 436 -5.768 22.602 -8.452 930 H MET 437 H MET 437 -0.459 21.909 -8.391 931 HA MET 437 HA MET 437 2.211 22.209 -7.660 932 1HB MET 437 2HB MET 437 0.883 20.730 -6.370 933 2HB MET 437 1HB MET 437 0.410 19.799 -7.781 934 1HG MET 437 2HG MET 437 3.059 19.411 -7.867 935 2HG MET 437 1HG MET 437 2.847 19.642 -6.134 936 1HE MET 437 1HE MET 437 3.378 17.154 -8.580 937 2HE MET 437 2HE MET 437 1.777 17.433 -9.267 938 3HE MET 437 3HE MET 437 2.138 15.904 -8.463 939 H LEU 438 H LEU 438 0.780 20.140 -10.173 940 HA LEU 438 HA LEU 438 3.117 19.059 -11.216 941 1HB LEU 438 2HB LEU 438 0.601 19.889 -12.667 942 2HB LEU 438 1HB LEU 438 1.856 18.882 -13.356 943 HG LEU 438 HG LEU 438 0.193 18.139 -10.945 944 1HD1 LEU 438 1HD1 LEU 438 -0.123 16.584 -13.388 945 2HD1 LEU 438 2HD1 LEU 438 -0.642 18.262 -13.556 946 3HD1 LEU 438 3HD1 LEU 438 -1.338 17.246 -12.294 947 1HD2 LEU 438 1HD2 LEU 438 2.567 17.189 -11.260 948 2HD2 LEU 438 2HD2 LEU 438 1.873 16.302 -12.618 949 3HD2 LEU 438 3HD2 LEU 438 1.241 16.058 -10.990 950 H ASP 439 H ASP 439 1.292 21.767 -12.606 951 HA ASP 439 HA ASP 439 3.042 22.713 -14.440 952 1HB ASP 439 2HB ASP 439 0.901 23.761 -14.205 953 2HB ASP 439 1HB ASP 439 1.267 24.275 -12.561 954 H PHE 440 H PHE 440 3.192 23.185 -10.955 955 HA PHE 440 HA PHE 440 5.296 25.069 -10.943 956 1HB PHE 440 2HB PHE 440 4.281 24.979 -8.878 957 2HB PHE 440 1HB PHE 440 4.062 23.236 -8.941 958 HD1 PHE 440 HD1 PHE 440 5.932 25.877 -7.536 959 HD2 PHE 440 HD2 PHE 440 6.214 21.810 -8.750 960 HE1 PHE 440 HE1 PHE 440 7.884 25.581 -6.065 961 HE2 PHE 440 HE2 PHE 440 8.167 21.502 -7.282 962 HZ PHE 440 HZ PHE 440 9.003 23.388 -5.936 963 H TYR 441 H TYR 441 5.218 21.540 -10.824 964 HA TYR 441 HA TYR 441 8.047 21.255 -10.604 965 1HB TYR 441 2HB TYR 441 5.810 19.344 -11.257 966 2HB TYR 441 1HB TYR 441 7.499 18.844 -11.325 967 HD1 TYR 441 HD1 TYR 441 4.662 19.138 -9.245 968 HD2 TYR 441 HD2 TYR 441 8.905 19.365 -9.185 969 HE1 TYR 441 HE1 TYR 441 4.646 18.758 -6.817 970 HE2 TYR 441 HE2 TYR 441 8.909 18.997 -6.771 971 HH TYR 441 HH TYR 441 6.342 19.374 -4.843 972 H ALA 442 H ALA 442 5.749 21.375 -13.277 973 HA ALA 442 HA ALA 442 7.352 20.470 -15.347 974 1HB ALA 442 1HB ALA 442 5.679 22.889 -15.827 975 2HB ALA 442 2HB ALA 442 4.880 21.399 -15.324 976 3HB ALA 442 3HB ALA 442 5.851 21.425 -16.797 977 H LYS 443 H LYS 443 7.098 23.726 -13.961 978 HA LYS 443 HA LYS 443 9.107 24.893 -15.581 979 1HB LYS 443 2HB LYS 443 7.814 26.518 -14.588 980 2HB LYS 443 1HB LYS 443 7.675 25.635 -13.075 981 1HG LYS 443 2HG LYS 443 10.393 26.527 -13.644 982 2HG LYS 443 1HG LYS 443 9.230 27.846 -13.503 983 1HD LYS 443 2HD LYS 443 9.146 27.612 -11.289 984 2HD LYS 443 1HD LYS 443 8.798 25.888 -11.435 985 1HE LYS 443 2HE LYS 443 10.788 25.745 -10.349 986 2HE LYS 443 1HE LYS 443 11.393 25.813 -12.004 987 1HZ LYS 443 1HZ LYS 443 12.654 27.380 -10.877 988 2HZ LYS 443 2HZ LYS 443 11.345 27.954 -9.973 989 3HZ LYS 443 3HZ LYS 443 11.461 28.325 -11.619 990 H GLN 444 H GLN 444 9.121 23.251 -12.463 991 HA GLN 444 HA GLN 444 11.814 23.775 -11.786 992 1HB GLN 444 2HB GLN 444 11.384 22.528 -9.931 993 2HB GLN 444 1HB GLN 444 9.717 22.666 -10.467 994 1HG GLN 444 2HG GLN 444 9.649 20.459 -10.367 995 2HG GLN 444 1HG GLN 444 10.646 20.437 -11.811 996 1HE2 GLN 444 1HE2 GLN 444 12.904 21.610 -10.400 997 2HE2 GLN 444 2HE2 GLN 444 13.577 20.352 -9.433 998 H ARG 445 H ARG 445 10.324 21.620 -13.992 999 HA ARG 445 HA ARG 445 12.598 19.843 -14.214 1000 1HB ARG 445 2HB ARG 445 10.507 18.778 -14.461 1001 2HB ARG 445 1HB ARG 445 9.914 20.011 -15.563 1002 1HG ARG 445 2HG ARG 445 10.401 17.920 -16.713 1003 2HG ARG 445 1HG ARG 445 11.431 19.235 -17.289 1004 1HD ARG 445 2HD ARG 445 13.324 18.360 -16.312 1005 2HD ARG 445 1HD ARG 445 12.412 17.487 -15.081 1006 HE ARG 445 HE ARG 445 11.682 16.201 -17.309 1007 1HH1 ARG 445 1HH1 ARG 445 14.808 17.177 -16.131 1008 2HH1 ARG 445 2HH1 ARG 445 15.647 15.859 -16.878 1009 1HH2 ARG 445 1HH2 ARG 445 12.776 14.461 -18.302 1010 2HH2 ARG 445 2HH2 ARG 445 14.491 14.315 -18.112 1011 H ALA 446 H ALA 446 11.283 22.628 -15.843 1012 HA ALA 446 HA ALA 446 13.029 22.290 -18.142 1013 1HB ALA 446 1HB ALA 446 10.795 24.105 -17.442 1014 2HB ALA 446 2HB ALA 446 11.132 23.246 -18.945 1015 3HB ALA 446 3HB ALA 446 12.018 24.720 -18.555 1016 H ALA 447 H ALA 447 12.695 24.412 -15.341 1017 HA ALA 447 HA ALA 447 14.746 26.210 -15.973 1018 1HB ALA 447 1HB ALA 447 13.216 26.839 -14.283 1019 2HB ALA 447 2HB ALA 447 14.784 26.667 -13.496 1020 3HB ALA 447 3HB ALA 447 13.570 25.400 -13.326 1021 H ILE 448 H ILE 448 14.795 23.245 -14.022 1022 HA ILE 448 HA ILE 448 17.168 23.079 -12.900 1023 HB ILE 448 HB ILE 448 17.358 20.688 -13.976 1024 1HG1 ILE 448 2HG1 ILE 448 14.434 21.021 -14.400 1025 2HG1 ILE 448 1HG1 ILE 448 15.513 21.580 -15.676 1026 1HG2 ILE 448 1HG2 ILE 448 16.051 21.801 -11.761 1027 2HG2 ILE 448 2HG2 ILE 448 16.575 20.131 -11.976 1028 3HG2 ILE 448 3HG2 ILE 448 14.942 20.609 -12.443 1029 1HD1 ILE 448 1HD1 ILE 448 15.503 19.499 -16.432 1030 2HD1 ILE 448 2HD1 ILE 448 14.717 18.899 -14.971 1031 3HD1 ILE 448 3HD1 ILE 448 16.473 19.066 -15.025 1032 HA PRO 449 HA PRO 449 20.007 24.643 -16.055 1033 1HB PRO 449 2HB PRO 449 21.826 23.674 -13.892 1034 2HB PRO 449 1HB PRO 449 21.867 25.191 -14.798 1035 1HG PRO 449 2HG PRO 449 20.935 25.120 -12.304 1036 2HG PRO 449 1HG PRO 449 20.175 26.145 -13.533 1037 1HD PRO 449 2HD PRO 449 19.226 23.589 -12.348 1038 2HD PRO 449 1HD PRO 449 18.292 24.967 -12.962 1039 H ARG 450 H ARG 450 21.848 23.707 -17.212 1040 HA ARG 450 HA ARG 450 22.348 20.876 -16.921 1041 1HB ARG 450 2HB ARG 450 20.336 21.785 -18.721 1042 2HB ARG 450 1HB ARG 450 21.697 21.212 -19.677 1043 1HG ARG 450 2HG ARG 450 21.621 19.119 -18.227 1044 2HG ARG 450 1HG ARG 450 20.041 19.695 -17.691 1045 1HD ARG 450 2HD ARG 450 20.889 18.617 -20.312 1046 2HD ARG 450 1HD ARG 450 19.362 18.431 -19.451 1047 HE ARG 450 HE ARG 450 20.039 20.468 -21.366 1048 1HH1 ARG 450 1HH1 ARG 450 17.987 19.607 -18.692 1049 2HH1 ARG 450 2HH1 ARG 450 16.732 20.718 -19.128 1050 1HH2 ARG 450 1HH2 ARG 450 18.394 21.937 -21.952 1051 2HH2 ARG 450 2HH2 ARG 450 16.962 22.043 -20.983 1052 H SER 451 H SER 451 24.464 21.726 -16.553 1053 HA SER 451 HA SER 451 26.614 22.109 -17.194 1054 1HB SER 451 2HB SER 451 25.662 20.604 -19.218 1055 2HB SER 451 1HB SER 451 26.028 22.084 -20.104 1056 HG SER 451 HG SER 451 28.151 21.938 -19.425 1057 H GLU 452 H GLU 452 27.968 23.676 -18.596 1058 HA GLU 452 HA GLU 452 28.471 25.836 -19.114 1059 1HB GLU 452 2HB GLU 452 26.084 25.204 -20.528 1060 2HB GLU 452 1HB GLU 452 25.928 26.851 -19.935 1061 1HG GLU 452 2HG GLU 452 27.398 27.635 -21.407 1062 2HG GLU 452 1HG GLU 452 28.534 26.319 -21.107 1063 H SER 453 HN SER 453 28.573 27.778 -18.061 1064 HA SER 453 HA SER 453 27.956 29.498 -16.651 1065 1HB SER 453 2HB SER 453 25.779 29.773 -15.943 1066 2HB SER 453 1HB SER 453 25.520 28.665 -17.289 1067 HG SER 453 HG SER 453 24.762 27.288 -15.915 Start of MODEL 12 1 1H5* G 1 2H5* G 1 -18.658 -25.913 -8.378 2 2H5* G 1 1H5* G 1 -17.048 -25.174 -8.489 3 H4* G 1 H4* G 1 -19.007 -23.732 -9.283 4 H3* G 1 H3* G 1 -16.925 -22.897 -7.253 5 H2* G 1 H2* G 1 -18.008 -20.832 -6.897 6 2HO* G 1 HO2* G 1 -19.309 -21.432 -9.355 7 H1* G 1 H1* G 1 -20.584 -21.693 -6.886 8 H8 G 1 H8 G 1 -18.521 -24.294 -5.124 9 H1 G 1 H1 G 1 -19.531 -19.127 -1.524 10 1H2 G 1 1H2 G 1 -20.406 -17.506 -2.765 11 2H2 G 1 2H2 G 1 -20.738 -17.701 -4.470 12 H5T G 1 H5T G 1 -16.875 -25.273 -6.413 13 1H5* G 2 2H5* G 2 -18.548 -19.481 -9.632 14 2H5* G 2 1H5* G 2 -17.101 -18.887 -10.470 15 H4* G 2 H4* G 2 -18.397 -17.008 -9.555 16 H3* G 2 H3* G 2 -15.721 -17.605 -8.223 17 H2* G 2 H2* G 2 -16.036 -15.643 -6.926 18 2HO* G 2 HO2* G 2 -17.060 -14.640 -9.033 19 H1* G 2 H1* G 2 -18.734 -15.986 -6.473 20 H8 G 2 H8 G 2 -16.839 -19.228 -6.079 21 H1 G 2 H1 G 2 -16.389 -15.447 -0.971 22 1H2 G 2 1H2 G 2 -17.216 -13.444 -1.434 23 2H2 G 2 2H2 G 2 -17.879 -13.043 -3.002 24 1H5* G 3 2H5* G 3 -16.113 -13.155 -8.864 25 2H5* G 3 1H5* G 3 -14.509 -12.755 -9.495 26 H4* G 3 H4* G 3 -15.280 -11.416 -7.462 27 H3* G 3 H3* G 3 -12.671 -12.812 -7.867 28 H2* G 3 H2* G 3 -12.169 -13.004 -5.638 29 2HO* G 3 HO2* G 3 -13.231 -10.362 -5.456 30 H1* G 3 H1* G 3 -14.690 -12.003 -4.530 31 H8 G 3 H8 G 3 -14.234 -15.550 -5.788 32 H1 G 3 H1 G 3 -12.875 -14.842 0.408 33 1H2 G 3 1H2 G 3 -12.875 -12.692 0.940 34 2H2 G 3 2H2 G 3 -13.210 -11.435 -0.229 35 1H5* A 4 2H5* A 4 -12.238 -8.421 -5.703 36 2H5* A 4 1H5* A 4 -10.672 -7.921 -6.368 37 H4* A 4 H4* A 4 -10.744 -7.580 -3.924 38 H3* A 4 H3* A 4 -8.869 -9.663 -5.082 39 H2* A 4 H2* A 4 -8.155 -10.263 -2.940 40 2HO* A 4 HO2* A 4 -9.127 -8.319 -1.349 41 H1* A 4 H1* A 4 -10.514 -9.623 -1.515 42 H8 A 4 H8 A 4 -10.629 -12.045 -4.469 43 1H6 A 4 1H6 A 4 -9.567 -16.513 -0.352 44 2H6 A 4 2H6 A 4 -9.945 -16.173 -2.027 45 H2 A 4 H2 A 4 -9.257 -12.564 1.757 46 1H5* U 5 2H5* U 5 -7.348 -6.570 -1.791 47 2H5* U 5 1H5* U 5 -5.706 -6.216 -2.361 48 H4* U 5 H4* U 5 -5.752 -6.607 0.081 49 H3* U 5 H3* U 5 -4.272 -8.538 -1.730 50 H2* U 5 H2* U 5 -3.606 -9.798 0.168 51 2HO* U 5 HO2* U 5 -3.388 -7.561 1.351 52 H1* U 5 H1* U 5 -5.966 -9.730 1.522 53 H3 U 5 H3 U 5 -5.773 -14.002 0.106 54 H5 U 5 H5 U 5 -6.412 -11.814 -3.440 55 H6 U 5 H6 U 5 -6.182 -9.774 -2.143 56 1H5* A 6 2H5* A 6 -1.662 -7.840 1.839 57 2H5* A 6 1H5* A 6 -0.030 -7.819 1.142 58 H4* A 6 H4* A 6 -0.488 -9.607 2.924 59 H3* A 6 H3* A 6 0.587 -10.208 0.145 60 H2* A 6 H2* A 6 0.698 -12.485 0.699 61 2HO* A 6 HO2* A 6 0.185 -12.394 3.389 62 H1* A 6 H1* A 6 -1.503 -12.566 2.447 63 H8 A 6 H8 A 6 -2.334 -11.084 -0.922 64 1H6 A 6 1H6 A 6 -3.017 -16.835 -3.000 65 2H6 A 6 2H6 A 6 -3.246 -15.139 -3.367 66 H2 A 6 H2 A 6 -1.216 -17.042 1.114 67 1H5* C 7 2H5* C 7 3.225 -12.117 3.665 68 2H5* C 7 1H5* C 7 4.841 -11.809 2.996 69 H4* C 7 H4* C 7 4.533 -14.159 3.809 70 H3* C 7 H3* C 7 5.204 -13.510 0.930 71 H2* C 7 H2* C 7 5.144 -15.806 0.355 72 2HO* C 7 HO2* C 7 5.379 -17.423 1.827 73 H1* C 7 H1* C 7 2.963 -16.545 1.783 74 1H4 C 7 1H4 C 7 0.575 -15.164 -3.924 75 2H4 C 7 2H4 C 7 0.700 -13.451 -3.597 76 H5 C 7 H5 C 7 1.719 -12.557 -1.604 77 H6 C 7 H6 C 7 2.836 -13.115 0.506 78 1H5* C 8 2H5* C 8 7.795 -17.074 1.827 79 2H5* C 8 1H5* C 8 9.370 -16.532 1.212 80 H4* C 8 H4* C 8 8.702 -18.651 0.141 81 H3* C 8 H3* C 8 8.850 -16.118 -1.508 82 H2* C 8 H2* C 8 7.993 -17.185 -3.377 83 2HO* C 8 HO2* C 8 8.241 -19.800 -2.920 84 H1* C 8 H1* C 8 6.613 -19.312 -2.089 85 1H4 C 8 1H4 C 8 2.278 -15.910 -5.243 86 2H4 C 8 2H4 C 8 2.642 -14.482 -4.301 87 H5 C 8 H5 C 8 4.366 -14.416 -2.621 88 H6 C 8 H6 C 8 6.115 -15.701 -1.489 89 1H5* A 9 2H5* A 9 11.022 -19.945 -3.594 90 2H5* A 9 1H5* A 9 12.448 -19.090 -4.215 91 H4* A 9 H4* A 9 11.519 -20.501 -5.978 92 H3* A 9 H3* A 9 11.183 -17.497 -6.296 93 H2* A 9 H2* A 9 10.123 -17.856 -8.387 94 2HO* A 9 HO2* A 9 10.870 -20.612 -8.221 95 H1* A 9 H1* A 9 8.584 -20.003 -7.656 96 H8 A 9 H8 A 9 9.096 -17.112 -5.175 97 1H6 A 9 1H6 A 9 3.941 -14.699 -7.511 98 2H6 A 9 2H6 A 9 5.173 -14.533 -6.280 99 H2 A 9 H2 A 9 4.973 -18.363 -9.902 100 1H5* U 10 2H5* U 10 11.755 -19.054 -10.213 101 2H5* U 10 1H5* U 10 12.970 -18.002 -10.968 102 H4* U 10 H4* U 10 10.800 -18.077 -12.226 103 H3* U 10 H3* U 10 11.831 -15.476 -11.043 104 H2* U 10 H2* U 10 9.949 -14.357 -11.852 105 2HO* U 10 HO2* U 10 9.805 -14.702 -13.951 106 H1* U 10 H1* U 10 8.166 -16.590 -11.895 107 H3 U 10 H3 U 10 5.757 -13.482 -9.684 108 H5 U 10 H5 U 10 9.119 -14.038 -7.237 109 H6 U 10 H6 U 10 10.032 -15.525 -8.910 110 1H5* G 11 2H5* G 11 10.764 -16.116 -15.531 111 2H5* G 11 1H5* G 11 11.460 -14.848 -16.559 112 H4* G 11 H4* G 11 8.928 -15.393 -16.819 113 H3* G 11 H3* G 11 10.174 -12.642 -16.552 114 H2* G 11 H2* G 11 8.064 -11.639 -16.535 115 2HO* G 11 HO2* G 11 6.267 -13.323 -17.321 116 H1* G 11 H1* G 11 6.576 -13.813 -15.469 117 H8 G 11 H8 G 11 9.332 -12.744 -13.180 118 H1 G 11 H1 G 11 4.284 -8.872 -12.834 119 1H2 G 11 1H2 G 11 2.884 -9.297 -14.502 120 2H2 G 11 2H2 G 11 3.192 -10.537 -15.698 121 1H5* U 12 2H5* U 12 7.051 -13.726 -19.924 122 2H5* U 12 1H5* U 12 7.291 -12.595 -21.270 123 H4* U 12 H4* U 12 4.882 -12.894 -20.410 124 H3* U 12 H3* U 12 6.309 -10.251 -20.807 125 H2* U 12 H2* U 12 4.404 -9.084 -20.022 126 2HO* U 12 HO2* U 12 2.380 -10.024 -19.877 127 H1* U 12 H1* U 12 3.764 -10.687 -17.950 128 H3 U 12 H3 U 12 5.422 -6.843 -16.203 129 H5 U 12 H5 U 12 8.827 -8.961 -17.487 130 H6 U 12 H6 U 12 7.357 -10.604 -18.487 131 1H5* U 13 2H5* U 13 2.273 -10.465 -21.973 132 2H5* U 13 1H5* U 13 1.731 -9.355 -23.248 133 H4* U 13 H4* U 13 0.624 -9.157 -20.908 134 H3* U 13 H3* U 13 1.767 -6.876 -22.552 135 H2* U 13 H2* U 13 1.153 -5.359 -20.852 136 2HO* U 13 HO2* U 13 -0.265 -7.191 -19.297 137 H1* U 13 H1* U 13 1.693 -6.926 -18.681 138 H3 U 13 H3 U 13 4.461 -3.300 -18.604 139 H5 U 13 H5 U 13 6.226 -5.969 -21.345 140 H6 U 13 H6 U 13 4.250 -7.356 -21.169 141 1H5* C 14 2H5* C 14 -2.028 -6.090 -21.071 142 2H5* C 14 1H5* C 14 -3.131 -5.137 -22.083 143 H4* C 14 H4* C 14 -2.731 -4.119 -19.832 144 H3* C 14 H3* C 14 -1.942 -2.670 -22.379 145 H2* C 14 H2* C 14 -1.165 -0.841 -21.108 146 2HO* C 14 HO2* C 14 -2.197 -0.251 -19.355 147 H1* C 14 H1* C 14 -0.108 -2.265 -18.971 148 1H4 C 14 1H4 C 14 4.723 -0.488 -22.737 149 2H4 C 14 2H4 C 14 4.439 -1.874 -23.766 150 H5 C 14 H5 C 14 2.583 -3.383 -23.468 151 H6 C 14 H6 C 14 0.601 -3.884 -22.120 152 1H5* A 15 2H5* A 15 -3.290 0.108 -24.703 153 2H5* A 15 1H5* A 15 -2.296 -1.178 -23.989 154 H4* A 15 H4* A 15 -2.044 1.507 -22.726 155 H3* A 15 H3* A 15 -1.414 0.998 -25.631 156 H2* A 15 H2* A 15 0.752 1.890 -25.436 157 2HO* A 15 HO2* A 15 1.315 3.358 -23.879 158 H1* A 15 H1* A 15 1.398 1.002 -22.914 159 H8 A 15 H8 A 15 -0.268 -1.822 -24.712 160 1H6 A 15 1H6 A 15 5.080 -2.905 -27.569 161 2H6 A 15 2H6 A 15 3.473 -3.521 -27.252 162 H2 A 15 H2 A 15 5.414 1.034 -25.431 163 1H5* G 16 2H5* G 16 -0.442 4.606 -25.400 164 2H5* G 16 1H5* G 16 -0.609 5.652 -26.823 165 H4* G 16 H4* G 16 1.734 4.734 -26.360 166 H3* G 16 H3* G 16 0.278 4.960 -28.885 167 H2* G 16 H2* G 16 0.764 2.813 -29.639 168 2HO* G 16 HO2* G 16 3.082 2.573 -30.178 169 H1* G 16 H1* G 16 3.028 2.492 -27.670 170 H8 G 16 H8 G 16 3.651 0.044 -28.163 171 H1 G 16 H1 G 16 -2.387 -1.728 -29.183 172 1H2 G 16 1H2 G 16 -3.730 0.023 -29.012 173 2H2 G 16 2H2 G 16 -3.142 1.629 -28.646 174 1H5* A 17 2H5* A 17 5.252 6.939 -29.021 175 2H5* A 17 1H5* A 17 4.175 6.400 -27.717 176 H4* A 17 H4* A 17 5.920 8.765 -27.860 177 H3* A 17 H3* A 17 5.534 6.784 -26.036 178 H2* A 17 H2* A 17 3.341 7.226 -25.315 179 2HO* A 17 HO2* A 17 5.007 9.064 -23.921 180 H1* A 17 H1* A 17 3.415 10.176 -25.469 181 H8 A 17 H8 A 17 1.922 6.989 -27.091 182 1H6 A 17 1H6 A 17 -3.532 9.784 -26.458 183 2H6 A 17 2H6 A 17 -2.721 8.320 -26.969 184 H2 A 17 H2 A 17 -0.341 12.618 -25.052 185 1H5* A 18 2H5* A 18 9.347 10.093 -23.806 186 2H5* A 18 1H5* A 18 8.408 8.765 -24.518 187 H4* A 18 H4* A 18 7.610 10.508 -22.156 188 H3* A 18 H3* A 18 8.568 7.655 -22.495 189 H2* A 18 H2* A 18 7.050 6.907 -20.852 190 2HO* A 18 HO2* A 18 6.027 8.393 -19.412 191 H1* A 18 H1* A 18 4.924 8.561 -21.466 192 H8 A 18 H8 A 18 7.091 6.625 -24.037 193 1H6 A 18 1H6 A 18 2.476 2.554 -24.193 194 2H6 A 18 2H6 A 18 4.037 2.980 -24.857 195 H2 A 18 H2 A 18 1.443 5.710 -21.165 196 1H5* G 19 2H5* G 19 9.276 8.729 -18.320 197 2H5* G 19 1H5* G 19 10.316 7.557 -17.490 198 H4* G 19 H4* G 19 7.772 7.521 -16.966 199 H3* G 19 H3* G 19 9.493 5.124 -17.676 200 H2* G 19 H2* G 19 7.623 3.718 -17.547 201 2HO* G 19 HO2* G 19 5.756 5.356 -16.429 202 H1* G 19 H1* G 19 5.657 5.585 -18.340 203 H8 G 19 H8 G 19 8.534 5.242 -20.763 204 H1 G 19 H1 G 19 4.214 0.589 -21.371 205 1H2 G 19 1H2 G 19 2.760 0.682 -19.696 206 2H2 G 19 2H2 G 19 2.858 1.889 -18.433 207 1H5* A 20 2H5* A 20 7.595 5.636 -13.366 208 2H5* A 20 1H5* A 20 8.178 4.447 -12.183 209 H4* A 20 H4* A 20 5.638 4.781 -12.315 210 H3* A 20 H3* A 20 7.137 2.179 -12.375 211 H2* A 20 H2* A 20 5.271 0.914 -12.979 212 2HO* A 20 HO2* A 20 3.118 1.716 -12.644 213 H1* A 20 H1* A 20 3.903 2.680 -14.552 214 H8 A 20 H8 A 20 7.548 2.705 -15.487 215 1H6 A 20 1H6 A 20 6.536 -2.446 -18.698 216 2H6 A 20 2H6 A 20 7.690 -1.181 -18.344 217 H2 A 20 H2 A 20 2.845 -1.560 -16.292 218 1H5* A 21 2H5* A 21 2.955 2.101 -10.256 219 2H5* A 21 1H5* A 21 3.128 0.903 -8.958 220 H4* A 21 H4* A 21 1.195 0.594 -10.673 221 H3* A 21 H3* A 21 3.140 -1.511 -9.699 222 H2* A 21 H2* A 21 2.251 -3.112 -11.173 223 2HO* A 21 HO2* A 21 0.006 -1.357 -11.353 224 H1* A 21 H1* A 21 1.740 -1.502 -13.336 225 H8 A 21 H8 A 21 5.110 -0.783 -11.762 226 1H6 A 21 1H6 A 21 7.341 -5.459 -15.094 227 2H6 A 21 2H6 A 21 7.753 -4.123 -14.042 228 H2 A 21 H2 A 21 2.864 -5.454 -15.510 229 1H5* C 22 2H5* C 22 -1.355 -2.655 -10.331 230 2H5* C 22 1H5* C 22 -1.688 -3.977 -9.194 231 H4* C 22 H4* C 22 -2.214 -4.356 -11.711 232 H3* C 22 H3* C 22 -0.727 -6.237 -9.857 233 H2* C 22 H2* C 22 -0.389 -7.767 -11.651 234 2HO* C 22 HO2* C 22 -1.500 -6.612 -13.762 235 H1* C 22 H1* C 22 0.403 -5.996 -13.507 236 1H4 C 22 1H4 C 22 5.660 -7.724 -10.371 237 2H4 C 22 2H4 C 22 5.329 -6.549 -9.119 238 H5 C 22 H5 C 22 3.317 -5.222 -9.061 239 H6 C 22 H6 C 22 1.197 -4.738 -10.193 240 1H5* G 23 2H5* G 23 -3.214 -8.052 -12.955 241 2H5* G 23 1H5* G 23 -4.040 -9.487 -12.315 242 H4* G 23 H4* G 23 -2.591 -9.756 -14.457 243 H3* G 23 H3* G 23 -2.473 -11.526 -11.988 244 H2* G 23 H2* G 23 -0.837 -12.854 -13.053 245 2HO* G 23 HO2* G 23 -0.443 -12.388 -15.418 246 H1* G 23 H1* G 23 0.495 -10.820 -14.391 247 H8 G 23 H8 G 23 0.036 -9.733 -10.862 248 H1 G 23 H1 G 23 4.733 -14.006 -11.489 249 1H2 G 23 1H2 G 23 4.635 -14.944 -13.497 250 2H2 G 23 2H2 G 23 3.415 -14.518 -14.675 251 1H5* U 24 2H5* U 24 -1.633 -14.039 -15.299 252 2H5* U 24 1H5* U 24 -2.861 -15.315 -15.201 253 H4* U 24 H4* U 24 -0.593 -16.283 -15.267 254 H3* U 24 H3* U 24 -2.411 -16.604 -12.904 255 H2* U 24 H2* U 24 -0.732 -17.157 -11.453 256 2HO* U 24 HO2* U 24 -0.529 -19.058 -13.230 257 H1* U 24 H1* U 24 1.540 -16.671 -13.254 258 H3 U 24 H3 U 24 3.416 -15.930 -9.222 259 H5 U 24 H5 U 24 0.175 -13.237 -9.326 260 H6 U 24 H6 U 24 -0.477 -14.204 -11.450 261 1H5* G 25 2H5* G 25 -0.431 -20.933 -14.031 262 2H5* G 25 1H5* G 25 -1.826 -21.957 -13.639 263 H4* G 25 H4* G 25 0.092 -22.918 -12.549 264 H3* G 25 H3* G 25 -1.738 -21.377 -10.662 265 H2* G 25 H2* G 25 -0.358 -22.123 -8.871 266 2HO* G 25 HO2* G 25 0.331 -24.098 -10.726 267 H1* G 25 H1* G 25 2.048 -21.751 -10.142 268 H8 G 25 H8 G 25 -0.691 -19.102 -10.616 269 H1 G 25 H1 G 25 3.236 -17.994 -5.723 270 1H2 G 25 1H2 G 25 4.574 -19.731 -5.425 271 2H2 G 25 2H2 G 25 4.501 -21.158 -6.429 272 1H5* G 26 2H5* G 26 -0.923 -25.408 -8.724 273 2H5* G 26 1H5* G 26 -2.444 -25.714 -7.864 274 H4* G 26 H4* G 26 -0.314 -25.608 -6.435 275 H3* G 26 H3* G 26 -2.870 -24.068 -5.947 276 H2* G 26 H2* G 26 -1.904 -22.808 -4.260 277 2HO* G 26 HO2* G 26 -1.206 -25.132 -3.412 278 H1* G 26 H1* G 26 0.857 -23.183 -4.963 279 H8 G 26 H8 G 26 -1.479 -21.271 -7.277 280 H1 G 26 H1 G 26 1.231 -17.639 -2.796 281 1H2 G 26 1H2 G 26 2.316 -18.908 -1.342 282 2H2 G 26 2H2 G 26 2.369 -20.651 -1.475 283 1H5* U 27 2H5* U 27 -0.942 -26.113 -1.972 284 2H5* U 27 1H5* U 27 -2.450 -26.684 -1.230 285 H4* U 27 H4* U 27 -1.050 -25.530 0.432 286 H3* U 27 H3* U 27 -3.660 -24.229 -0.418 287 H2* U 27 H2* U 27 -3.255 -22.458 1.093 288 2HO* U 27 HO2* U 27 -2.038 -24.400 2.493 289 H1* U 27 H1* U 27 -0.546 -22.221 0.713 290 H3 U 27 H3 U 27 -2.068 -18.362 -0.994 291 H5 U 27 H5 U 27 -3.468 -21.261 -3.718 292 H6 U 27 H6 U 27 -2.623 -22.977 -2.220 293 1H5* A 28 2H5* A 28 -3.193 -23.897 4.120 294 2H5* A 28 1H5* A 28 -4.853 -24.152 4.692 295 H4* A 28 H4* A 28 -3.728 -21.966 5.414 296 H3* A 28 H3* A 28 -6.420 -22.144 4.028 297 H2* A 28 H2* A 28 -6.581 -19.824 3.952 298 2HO* A 28 HO2* A 28 -5.524 -18.490 5.473 299 H1* A 28 H1* A 28 -3.825 -19.198 3.963 300 H8 A 28 H8 A 28 -5.065 -21.376 1.118 301 1H6 A 28 1H6 A 28 -6.155 -16.146 -1.950 302 2H6 A 28 2H6 A 28 -6.083 -17.890 -2.070 303 H2 A 28 H2 A 28 -5.135 -15.086 2.297 304 1H5* U 29 2H5* U 29 -5.699 -19.302 7.794 305 2H5* U 29 1H5* U 29 -7.134 -19.670 8.770 306 H4* U 29 H4* U 29 -6.714 -17.280 8.878 307 H3* U 29 H3* U 29 -9.107 -18.155 7.223 308 H2* U 29 H2* U 29 -9.606 -15.871 6.796 309 2HO* U 29 HO2* U 29 -7.898 -14.381 8.022 310 H1* U 29 H1* U 29 -7.071 -15.020 6.317 311 H3 U 29 H3 U 29 -9.052 -15.014 2.242 312 H5 U 29 H5 U 29 -8.349 -19.089 3.036 313 H6 U 29 H6 U 29 -7.647 -18.465 5.277 314 1H5* C 30 2H5* C 30 -10.275 -14.567 9.419 315 2H5* C 30 1H5* C 30 -12.003 -14.778 9.767 316 H4* C 30 H4* C 30 -11.336 -12.805 8.243 317 H3* C 30 H3* C 30 -13.422 -14.893 7.487 318 H2* C 30 H2* C 30 -13.874 -13.598 5.555 319 2HO* C 30 HO2* C 30 -13.410 -11.580 7.165 320 H1* C 30 H1* C 30 -11.246 -12.794 5.083 321 1H4 C 30 1H4 C 30 -12.557 -17.305 0.793 322 2H4 C 30 2H4 C 30 -12.204 -18.545 1.977 323 H5 C 30 H5 C 30 -11.720 -18.062 4.285 324 H6 C 30 H6 C 30 -11.476 -16.295 5.960 325 1H5* U 31 2H5* U 31 -14.886 -11.441 6.202 326 2H5* U 31 1H5* U 31 -16.514 -11.176 6.855 327 H4* U 31 H4* U 31 -16.744 -11.019 4.490 328 H3* U 31 H3* U 31 -17.599 -13.719 5.594 329 H2* U 31 H2* U 31 -18.082 -14.442 3.433 330 2HO* U 31 HO2* U 31 -18.067 -12.151 1.986 331 H1* U 31 H1* U 31 -16.257 -12.761 2.039 332 H3 U 31 H3 U 31 -15.389 -16.850 0.356 333 H5 U 31 H5 U 31 -14.485 -17.268 4.446 334 H6 U 31 H6 U 31 -15.269 -15.001 4.788 335 1H5* C 32 2H5* C 32 -19.994 -11.568 3.081 336 2H5* C 32 1H5* C 32 -21.722 -11.300 3.390 337 H4* C 32 H4* C 32 -21.540 -11.807 1.061 338 H3* C 32 H3* C 32 -22.413 -14.186 2.730 339 H2* C 32 H2* C 32 -22.624 -15.458 0.790 340 2HO* C 32 HO2* C 32 -23.201 -12.990 -0.321 341 H1* C 32 H1* C 32 -20.530 -14.221 -0.645 342 1H4 C 32 1H4 C 32 -18.469 -20.041 0.867 343 2H4 C 32 2H4 C 32 -18.309 -19.585 2.548 344 H5 C 32 H5 C 32 -18.983 -17.430 3.401 345 H6 C 32 H6 C 32 -19.957 -15.259 2.822 346 H3T C 32 H3T C 32 -23.558 -12.009 1.402 347 1H GLY 364 1HT GLY 364 -12.379 0.146 -17.511 348 2H GLY 364 2HT GLY 364 -11.879 1.696 -17.056 349 3H GLY 364 3HT GLY 364 -11.081 0.337 -16.443 350 1HA GLY 364 1HA GLY 364 -10.896 0.005 -19.137 351 2HA GLY 364 2HA GLY 364 -10.682 1.735 -18.911 352 H SER 365 H SER 365 -8.545 2.015 -19.200 353 HA SER 365 HA SER 365 -6.768 0.589 -17.347 354 1HB SER 365 2HB SER 365 -6.763 0.364 -20.200 355 2HB SER 365 1HB SER 365 -5.281 1.175 -19.696 356 HG SER 365 HG SER 365 -6.078 -1.073 -18.253 357 H LEU 366 H LEU 366 -7.948 3.154 -17.066 358 HA LEU 366 HA LEU 366 -6.565 5.361 -17.844 359 1HB LEU 366 2HB LEU 366 -8.520 4.851 -16.017 360 2HB LEU 366 1HB LEU 366 -7.202 5.360 -14.978 361 HG LEU 366 HG LEU 366 -8.179 7.386 -15.345 362 1HD1 LEU 366 1HD1 LEU 366 -5.864 7.424 -16.282 363 2HD1 LEU 366 2HD1 LEU 366 -6.937 8.661 -16.930 364 3HD1 LEU 366 3HD1 LEU 366 -6.569 7.225 -17.885 365 1HD2 LEU 366 1HD2 LEU 366 -8.836 6.800 -18.209 366 2HD2 LEU 366 2HD2 LEU 366 -9.574 7.971 -17.116 367 3HD2 LEU 366 3HD2 LEU 366 -9.878 6.249 -16.896 368 H ASP 367 H ASP 367 -5.351 2.852 -15.833 369 HA ASP 367 HA ASP 367 -3.494 4.027 -14.206 370 1HB ASP 367 2HB ASP 367 -2.675 1.708 -15.946 371 2HB ASP 367 1HB ASP 367 -2.242 2.030 -14.271 372 H MET 368 H MET 368 -2.576 2.841 -17.409 373 HA MET 368 HA MET 368 -0.225 3.913 -17.916 374 1HB MET 368 2HB MET 368 -1.227 4.619 -20.273 375 2HB MET 368 1HB MET 368 -1.033 2.934 -19.815 376 1HG MET 368 2HG MET 368 -3.236 2.557 -19.773 377 2HG MET 368 1HG MET 368 -3.591 4.112 -19.021 378 1HE MET 368 1HE MET 368 -2.786 6.361 -20.657 379 2HE MET 368 2HE MET 368 -4.504 6.174 -20.308 380 3HE MET 368 3HE MET 368 -3.971 6.542 -21.949 381 H ASN 369 H ASN 369 -3.095 5.895 -18.708 382 HA ASN 369 HA ASN 369 -1.916 8.283 -19.207 383 1HB ASN 369 2HB ASN 369 -4.513 7.546 -17.936 384 2HB ASN 369 1HB ASN 369 -4.022 9.236 -17.881 385 1HD2 ASN 369 1HD2 ASN 369 -2.768 9.526 -20.296 386 2HD2 ASN 369 2HD2 ASN 369 -3.909 9.312 -21.572 387 H ALA 370 H ALA 370 -2.793 7.070 -15.978 388 HA ALA 370 HA ALA 370 -1.862 9.258 -14.506 389 1HB ALA 370 1HB ALA 370 -3.010 6.797 -13.902 390 2HB ALA 370 2HB ALA 370 -2.581 8.074 -12.763 391 3HB ALA 370 3HB ALA 370 -1.441 6.769 -13.095 392 H LYS 371 H LYS 371 -0.210 6.112 -14.348 393 HA LYS 371 HA LYS 371 2.213 6.852 -13.472 394 1HB LYS 371 2HB LYS 371 3.027 5.110 -15.409 395 2HB LYS 371 1HB LYS 371 2.357 4.634 -13.856 396 1HG LYS 371 2HG LYS 371 0.321 4.065 -14.753 397 2HG LYS 371 1HG LYS 371 0.517 5.128 -16.148 398 1HD LYS 371 2HD LYS 371 1.481 3.511 -17.356 399 2HD LYS 371 1HD LYS 371 2.566 3.074 -16.037 400 1HE LYS 371 2HE LYS 371 -0.314 2.275 -15.935 401 2HE LYS 371 1HE LYS 371 0.827 1.346 -16.908 402 1HZ LYS 371 1HZ LYS 371 1.141 0.258 -14.986 403 2HZ LYS 371 2HZ LYS 371 0.576 1.531 -14.026 404 3HZ LYS 371 3HZ LYS 371 2.162 1.554 -14.611 405 H ARG 372 H ARG 372 1.073 7.213 -16.779 406 HA ARG 372 HA ARG 372 3.433 8.147 -17.960 407 1HB ARG 372 2HB ARG 372 1.137 7.480 -19.006 408 2HB ARG 372 1HB ARG 372 0.721 9.168 -18.757 409 1HG ARG 372 2HG ARG 372 3.279 8.620 -20.132 410 2HG ARG 372 1HG ARG 372 1.797 8.249 -21.014 411 1HD ARG 372 2HD ARG 372 2.793 10.878 -20.003 412 2HD ARG 372 1HD ARG 372 2.219 10.453 -21.610 413 HE ARG 372 HE ARG 372 0.596 11.143 -19.290 414 1HH1 ARG 372 1HH1 ARG 372 0.721 10.036 -22.597 415 2HH1 ARG 372 2HH1 ARG 372 -0.936 10.423 -22.919 416 1HH2 ARG 372 1HH2 ARG 372 -1.581 11.645 -19.709 417 2HH2 ARG 372 2HH2 ARG 372 -2.243 11.335 -21.279 418 H GLN 373 H GLN 373 0.622 10.092 -16.946 419 HA GLN 373 HA GLN 373 1.651 12.600 -17.210 420 1HB GLN 373 2HB GLN 373 -0.657 11.664 -16.243 421 2HB GLN 373 1HB GLN 373 0.109 12.082 -14.715 422 1HG GLN 373 2HG GLN 373 -0.353 13.948 -17.033 423 2HG GLN 373 1HG GLN 373 -1.281 13.900 -15.537 424 1HE2 GLN 373 1HE2 GLN 373 0.940 13.469 -13.803 425 2HE2 GLN 373 2HE2 GLN 373 1.845 14.938 -13.747 426 H LEU 374 H LEU 374 2.295 10.315 -14.620 427 HA LEU 374 HA LEU 374 3.574 12.146 -12.890 428 1HB LEU 374 2HB LEU 374 4.180 9.208 -12.963 429 2HB LEU 374 1HB LEU 374 4.207 10.294 -11.590 430 HG LEU 374 HG LEU 374 1.926 8.877 -12.842 431 1HD1 LEU 374 1HD1 LEU 374 1.785 8.027 -10.801 432 2HD1 LEU 374 2HD1 LEU 374 1.658 9.635 -10.087 433 3HD1 LEU 374 3HD1 LEU 374 3.245 8.920 -10.376 434 1HD2 LEU 374 1HD2 LEU 374 0.884 10.862 -13.209 435 2HD2 LEU 374 2HD2 LEU 374 1.854 11.722 -12.012 436 3HD2 LEU 374 3HD2 LEU 374 0.523 10.687 -11.491 437 H TYR 375 H TYR 375 5.256 9.397 -14.411 438 HA TYR 375 HA TYR 375 7.707 10.916 -14.366 439 1HB TYR 375 2HB TYR 375 6.980 8.072 -14.900 440 2HB TYR 375 1HB TYR 375 8.540 8.668 -15.455 441 HD1 TYR 375 HD1 TYR 375 7.181 10.174 -12.462 442 HD2 TYR 375 HD2 TYR 375 9.583 6.991 -13.936 443 HE1 TYR 375 HE1 TYR 375 8.108 9.840 -10.210 444 HE2 TYR 375 HE2 TYR 375 10.516 6.643 -11.688 445 HH TYR 375 HH TYR 375 10.476 7.271 -9.559 446 H SER 376 H SER 376 5.477 11.551 -16.329 447 HA SER 376 HA SER 376 7.214 11.569 -18.703 448 1HB SER 376 2HB SER 376 5.062 9.972 -18.637 449 2HB SER 376 1HB SER 376 4.281 11.467 -19.147 450 HG SER 376 HG SER 376 6.478 11.216 -20.583 451 H LEU 377 H LEU 377 4.603 13.095 -16.897 452 HA LEU 377 HA LEU 377 4.938 15.520 -18.509 453 1HB LEU 377 2HB LEU 377 2.715 14.348 -16.967 454 2HB LEU 377 1HB LEU 377 2.870 16.092 -16.854 455 HG LEU 377 HG LEU 377 3.006 15.912 -19.490 456 1HD1 LEU 377 1HD1 LEU 377 2.482 13.955 -20.389 457 2HD1 LEU 377 2HD1 LEU 377 0.992 13.879 -19.450 458 3HD1 LEU 377 3HD1 LEU 377 2.493 13.246 -18.773 459 1HD2 LEU 377 1HD2 LEU 377 1.245 16.948 -17.868 460 2HD2 LEU 377 2HD2 LEU 377 0.290 15.532 -18.309 461 3HD2 LEU 377 3HD2 LEU 377 0.827 16.657 -19.556 462 H ILE 378 H ILE 378 5.417 14.217 -15.296 463 HA ILE 378 HA ILE 378 6.695 16.748 -14.548 464 HB ILE 378 HB ILE 378 5.051 15.254 -12.535 465 1HG1 ILE 378 2HG1 ILE 378 3.658 15.921 -14.545 466 2HG1 ILE 378 1HG1 ILE 378 3.136 16.572 -12.995 467 1HG2 ILE 378 1HG2 ILE 378 6.584 17.738 -12.657 468 2HG2 ILE 378 2HG2 ILE 378 6.120 16.755 -11.268 469 3HG2 ILE 378 3HG2 ILE 378 4.983 17.924 -11.942 470 1HD1 ILE 378 1HD1 ILE 378 3.260 18.081 -15.132 471 2HD1 ILE 378 2HD1 ILE 378 4.959 18.207 -14.676 472 3HD1 ILE 378 3HD1 ILE 378 3.703 18.712 -13.547 473 H GLY 379 H GLY 379 7.890 14.298 -15.418 474 1HA GLY 379 2HA GLY 379 9.224 13.505 -12.906 475 2HA GLY 379 1HA GLY 379 8.842 12.343 -14.164 476 H TYR 380 H TYR 380 10.971 14.875 -13.147 477 HA TYR 380 HA TYR 380 12.635 14.457 -15.533 478 1HB TYR 380 2HB TYR 380 13.818 16.532 -14.797 479 2HB TYR 380 1HB TYR 380 12.120 16.786 -15.181 480 HD1 TYR 380 HD1 TYR 380 10.528 17.381 -13.456 481 HD2 TYR 380 HD2 TYR 380 14.609 16.657 -12.491 482 HE1 TYR 380 HE1 TYR 380 10.181 18.402 -11.246 483 HE2 TYR 380 HE2 TYR 380 14.272 17.674 -10.279 484 HH TYR 380 HH TYR 380 11.971 17.979 -8.725 485 H ALA 381 H ALA 381 15.092 15.176 -14.594 486 HA ALA 381 HA ALA 381 15.766 12.850 -12.999 487 1HB ALA 381 1HB ALA 381 17.119 14.464 -14.957 488 2HB ALA 381 2HB ALA 381 17.519 12.854 -14.359 489 3HB ALA 381 3HB ALA 381 18.107 14.283 -13.507 490 H SER 382 H SER 382 15.605 13.018 -10.890 491 HA SER 382 HA SER 382 16.587 13.654 -8.837 492 1HB SER 382 2HB SER 382 18.058 15.329 -10.010 493 2HB SER 382 1HB SER 382 16.725 16.478 -9.899 494 HG SER 382 HG SER 382 16.950 16.564 -7.748 495 H LEU 383 H LEU 383 13.880 13.383 -9.644 496 HA LEU 383 HA LEU 383 12.441 15.581 -8.393 497 1HB LEU 383 2HB LEU 383 11.722 14.099 -10.455 498 2HB LEU 383 1HB LEU 383 11.127 13.023 -9.205 499 HG LEU 383 HG LEU 383 10.320 15.919 -9.454 500 1HD1 LEU 383 1HD1 LEU 383 8.882 13.437 -10.377 501 2HD1 LEU 383 2HD1 LEU 383 9.567 14.695 -11.407 502 3HD1 LEU 383 3HD1 LEU 383 8.206 15.066 -10.350 503 1HD2 LEU 383 1HD2 LEU 383 8.985 13.702 -7.921 504 2HD2 LEU 383 2HD2 LEU 383 8.666 15.434 -7.835 505 3HD2 LEU 383 3HD2 LEU 383 10.177 14.783 -7.204 506 H ARG 384 H ARG 384 12.923 12.108 -7.893 507 HA ARG 384 HA ARG 384 13.025 10.856 -6.004 508 1HB ARG 384 2HB ARG 384 14.071 13.171 -5.186 509 2HB ARG 384 1HB ARG 384 12.633 13.160 -4.175 510 1HG ARG 384 2HG ARG 384 13.579 11.735 -2.776 511 2HG ARG 384 1HG ARG 384 13.874 10.588 -4.083 512 1HD ARG 384 2HD ARG 384 16.048 10.985 -3.874 513 2HD ARG 384 1HD ARG 384 15.758 12.637 -4.415 514 HE ARG 384 HE ARG 384 15.226 12.344 -1.636 515 1HH1 ARG 384 1HH1 ARG 384 17.798 12.668 -3.960 516 2HH1 ARG 384 2HH1 ARG 384 18.904 13.378 -2.832 517 1HH2 ARG 384 1HH2 ARG 384 16.670 13.281 -0.142 518 2HH2 ARG 384 2HH2 ARG 384 18.263 13.727 -0.659 519 H LEU 385 H LEU 385 10.488 11.356 -7.277 520 HA LEU 385 HA LEU 385 8.338 12.015 -5.777 521 1HB LEU 385 2HB LEU 385 8.674 10.662 -8.100 522 2HB LEU 385 1HB LEU 385 8.122 9.360 -7.064 523 HG LEU 385 HG LEU 385 6.269 11.256 -6.494 524 1HD1 LEU 385 1HD1 LEU 385 7.449 12.625 -8.360 525 2HD1 LEU 385 2HD1 LEU 385 5.688 12.548 -8.316 526 3HD1 LEU 385 3HD1 LEU 385 6.586 11.541 -9.451 527 1HD2 LEU 385 1HD2 LEU 385 5.718 8.996 -7.015 528 2HD2 LEU 385 2HD2 LEU 385 6.279 9.181 -8.677 529 3HD2 LEU 385 3HD2 LEU 385 4.832 10.031 -8.136 530 H HIS 386 H HIS 386 7.187 11.132 -4.027 531 HA HIS 386 HA HIS 386 8.437 8.742 -2.849 532 1HB HIS 386 2HB HIS 386 8.706 11.248 -1.808 533 2HB HIS 386 1HB HIS 386 7.336 10.623 -0.895 534 HD1 HIS 386 HD1 HIS 386 10.961 9.878 -1.616 535 HD2 HIS 386 HD2 HIS 386 7.966 8.771 1.044 536 HE1 HIS 386 HE1 HIS 386 12.104 8.504 0.151 537 HE2 HIS 386 HE2 HIS 386 10.264 7.795 1.718 538 H TYR 387 H TYR 387 6.716 7.461 -3.718 539 HA TYR 387 HA TYR 387 4.042 7.890 -2.701 540 1HB TYR 387 2HB TYR 387 5.309 5.953 -4.585 541 2HB TYR 387 1HB TYR 387 3.803 5.487 -3.792 542 HD1 TYR 387 HD1 TYR 387 5.010 8.748 -5.019 543 HD2 TYR 387 HD2 TYR 387 2.098 5.680 -5.376 544 HE1 TYR 387 HE1 TYR 387 3.773 10.129 -6.588 545 HE2 TYR 387 HE2 TYR 387 0.836 7.055 -6.975 546 HH TYR 387 HH TYR 387 0.582 9.383 -7.602 547 H VAL 388 H VAL 388 3.495 7.281 -0.710 548 HA VAL 388 HA VAL 388 4.925 4.997 0.475 549 HB VAL 388 HB VAL 388 3.488 6.608 2.409 550 1HG1 VAL 388 1HG1 VAL 388 5.125 5.803 3.673 551 2HG1 VAL 388 2HG1 VAL 388 6.350 6.595 2.682 552 3HG1 VAL 388 3HG1 VAL 388 5.762 4.990 2.243 553 1HG2 VAL 388 1HG2 VAL 388 3.862 8.586 1.309 554 2HG2 VAL 388 2HG2 VAL 388 5.320 7.993 0.512 555 3HG2 VAL 388 3HG2 VAL 388 5.368 8.440 2.217 556 H THR 389 H THR 389 3.740 3.219 0.496 557 HA THR 389 HA THR 389 0.871 3.302 0.312 558 HB THR 389 HB THR 389 2.760 0.971 0.695 559 HG1 THR 389 HG1 THR 389 1.667 0.667 -1.565 560 1HG2 THR 389 1HG2 THR 389 -0.212 0.984 0.171 561 2HG2 THR 389 2HG2 THR 389 0.587 0.436 1.643 562 3HG2 THR 389 3HG2 THR 389 0.824 -0.442 0.130 563 H VAL 390 H VAL 390 -0.544 3.274 1.933 564 HA VAL 390 HA VAL 390 0.366 2.369 4.572 565 HB VAL 390 HB VAL 390 -0.834 4.240 5.639 566 1HG1 VAL 390 1HG1 VAL 390 1.006 5.545 5.596 567 2HG1 VAL 390 2HG1 VAL 390 1.002 5.672 3.835 568 3HG1 VAL 390 3HG1 VAL 390 1.669 4.237 4.614 569 1HG2 VAL 390 1HG2 VAL 390 -1.334 4.993 2.784 570 2HG2 VAL 390 2HG2 VAL 390 -1.250 6.234 4.036 571 3HG2 VAL 390 3HG2 VAL 390 -2.455 4.950 4.149 572 H LYS 391 H LYS 391 -1.251 1.621 5.961 573 HA LYS 391 HA LYS 391 -3.289 0.803 6.597 574 1HB LYS 391 2HB LYS 391 -4.288 2.667 5.231 575 2HB LYS 391 1HB LYS 391 -4.342 1.551 3.876 576 1HG LYS 391 2HG LYS 391 -6.454 1.885 5.316 577 2HG LYS 391 1HG LYS 391 -5.994 0.255 4.827 578 1HD LYS 391 2HD LYS 391 -6.620 0.234 7.152 579 2HD LYS 391 1HD LYS 391 -4.883 -0.043 7.022 580 1HE LYS 391 2HE LYS 391 -4.395 2.185 7.693 581 2HE LYS 391 1HE LYS 391 -6.084 2.669 7.537 582 1HZ LYS 391 1HZ LYS 391 -4.846 0.959 9.606 583 2HZ LYS 391 2HZ LYS 391 -6.516 0.939 9.332 584 3HZ LYS 391 3HZ LYS 391 -5.755 2.372 9.810 585 H LYS 392 H LYS 392 -1.412 -0.912 5.932 586 HA LYS 392 HA LYS 392 -1.425 -2.602 3.866 587 1HB LYS 392 2HB LYS 392 -1.365 -4.489 5.783 588 2HB LYS 392 1HB LYS 392 -0.007 -3.429 5.434 589 1HG LYS 392 2HG LYS 392 -1.746 -2.136 7.296 590 2HG LYS 392 1HG LYS 392 -1.380 -3.763 7.867 591 1HD LYS 392 2HD LYS 392 0.390 -2.592 8.747 592 2HD LYS 392 1HD LYS 392 1.073 -3.111 7.206 593 1HE LYS 392 2HE LYS 392 0.739 -0.980 6.234 594 2HE LYS 392 1HE LYS 392 -0.297 -0.456 7.562 595 1HZ LYS 392 1HZ LYS 392 2.564 -0.402 7.347 596 2HZ LYS 392 2HZ LYS 392 2.035 -1.105 8.791 597 3HZ LYS 392 3HZ LYS 392 1.544 0.461 8.384 598 HA PRO 393 HA PRO 393 -5.520 -4.156 3.395 599 1HB PRO 393 2HB PRO 393 -4.551 -6.469 1.987 600 2HB PRO 393 1HB PRO 393 -5.379 -5.058 1.350 601 1HG PRO 393 2HG PRO 393 -2.747 -5.632 0.847 602 2HG PRO 393 1HG PRO 393 -3.432 -3.999 0.799 603 1HD PRO 393 2HD PRO 393 -1.802 -5.312 2.927 604 2HD PRO 393 1HD PRO 393 -1.807 -3.621 2.385 605 H THR 394 H THR 394 -6.893 -5.761 3.955 606 HA THR 394 HA THR 394 -5.843 -8.019 5.535 607 HB THR 394 HB THR 394 -7.080 -7.596 7.441 608 HG1 THR 394 HG1 THR 394 -8.642 -5.551 6.281 609 1HG2 THR 394 1HG2 THR 394 -5.839 -5.209 6.302 610 2HG2 THR 394 2HG2 THR 394 -5.696 -5.900 7.915 611 3HG2 THR 394 3HG2 THR 394 -7.060 -4.855 7.521 612 H ALA 395 H ALA 395 -7.567 -9.632 6.090 613 HA ALA 395 HA ALA 395 -9.217 -10.106 3.742 614 1HB ALA 395 1HB ALA 395 -7.765 -11.824 5.184 615 2HB ALA 395 2HB ALA 395 -9.204 -12.303 4.283 616 3HB ALA 395 3HB ALA 395 -9.313 -11.993 6.016 617 H VAL 396 H VAL 396 -9.665 -8.142 6.083 618 HA VAL 396 HA VAL 396 -12.541 -8.604 6.289 619 HB VAL 396 HB VAL 396 -12.644 -8.147 8.613 620 1HG1 VAL 396 1HG1 VAL 396 -11.958 -10.443 8.079 621 2HG1 VAL 396 2HG1 VAL 396 -11.313 -9.912 9.632 622 3HG1 VAL 396 3HG1 VAL 396 -10.267 -9.961 8.212 623 1HG2 VAL 396 1HG2 VAL 396 -9.997 -7.893 9.514 624 2HG2 VAL 396 2HG2 VAL 396 -11.252 -6.654 9.497 625 3HG2 VAL 396 3HG2 VAL 396 -10.150 -6.814 8.127 626 H ASP 397 H ASP 397 -10.477 -6.927 4.876 627 HA ASP 397 HA ASP 397 -11.783 -4.639 4.339 628 1HB ASP 397 2HB ASP 397 -10.642 -4.490 7.004 629 2HB ASP 397 1HB ASP 397 -9.960 -3.249 5.957 630 HA PRO 398 HA PRO 398 -7.622 -6.010 2.384 631 1HB PRO 398 2HB PRO 398 -8.923 -5.741 -0.111 632 2HB PRO 398 1HB PRO 398 -8.473 -7.242 0.700 633 1HG PRO 398 2HG PRO 398 -11.089 -5.834 0.633 634 2HG PRO 398 1HG PRO 398 -10.746 -7.571 0.733 635 1HD PRO 398 2HD PRO 398 -11.596 -6.210 2.868 636 2HD PRO 398 1HD PRO 398 -10.370 -7.486 3.028 637 H ASN 399 H ASN 399 -10.019 -3.709 1.178 638 HA ASN 399 HA ASN 399 -8.685 -2.058 -0.371 639 1HB ASN 399 2HB ASN 399 -10.320 -0.529 -0.035 640 2HB ASN 399 1HB ASN 399 -11.039 -1.823 0.913 641 1HD2 ASN 399 1HD2 ASN 399 -9.690 -1.780 3.218 642 2HD2 ASN 399 2HD2 ASN 399 -9.882 -0.266 4.023 643 H SER 400 H SER 400 -7.006 -0.763 -0.411 644 HA SER 400 HA SER 400 -5.790 0.113 2.119 645 1HB SER 400 2HB SER 400 -4.203 -0.895 -0.253 646 2HB SER 400 1HB SER 400 -3.577 -0.432 1.330 647 HG SER 400 HG SER 400 -5.168 -2.205 2.029 648 H ILE 401 H ILE 401 -4.344 1.992 1.866 649 HA ILE 401 HA ILE 401 -5.138 3.626 -0.455 650 HB ILE 401 HB ILE 401 -6.117 4.457 1.619 651 1HG1 ILE 401 2HG1 ILE 401 -3.882 6.327 0.846 652 2HG1 ILE 401 1HG1 ILE 401 -5.230 5.989 -0.234 653 1HG2 ILE 401 1HG2 ILE 401 -3.373 4.089 2.579 654 2HG2 ILE 401 2HG2 ILE 401 -4.905 3.981 3.445 655 3HG2 ILE 401 3HG2 ILE 401 -4.179 5.558 3.130 656 1HD1 ILE 401 1HD1 ILE 401 -5.680 8.018 0.917 657 2HD1 ILE 401 2HD1 ILE 401 -5.346 7.272 2.480 658 3HD1 ILE 401 3HD1 ILE 401 -6.766 6.783 1.555 659 H VAL 402 H VAL 402 -3.582 5.387 -0.980 660 HA VAL 402 HA VAL 402 -0.787 4.657 -0.426 661 HB VAL 402 HB VAL 402 -1.293 5.644 -3.144 662 1HG1 VAL 402 1HG1 VAL 402 0.120 3.124 -2.801 663 2HG1 VAL 402 2HG1 VAL 402 0.768 4.436 -1.817 664 3HG1 VAL 402 3HG1 VAL 402 0.637 4.625 -3.567 665 1HG2 VAL 402 1HG2 VAL 402 -2.422 3.015 -2.241 666 2HG2 VAL 402 2HG2 VAL 402 -1.930 3.295 -3.912 667 3HG2 VAL 402 3HG2 VAL 402 -3.198 4.284 -3.189 668 H GLU 403 H GLU 403 0.601 6.378 -0.197 669 HA GLU 403 HA GLU 403 -0.596 9.056 -0.377 670 1HB GLU 403 2HB GLU 403 1.424 7.778 1.360 671 2HB GLU 403 1HB GLU 403 1.779 9.431 0.879 672 1HG GLU 403 2HG GLU 403 -0.208 10.246 1.862 673 2HG GLU 403 1HG GLU 403 -0.846 8.619 2.086 674 H CYS 404 H CYS 404 0.018 10.395 -1.926 675 HA CYS 404 HA CYS 404 2.443 9.736 -3.467 676 1HB CYS 404 2HB CYS 404 0.513 9.655 -4.906 677 2HB CYS 404 1HB CYS 404 -0.074 11.191 -4.291 678 HG CYS 404 HG CYS 404 2.040 12.292 -5.515 679 H ARG 405 H ARG 405 4.037 10.880 -2.534 680 HA ARG 405 HA ARG 405 3.730 13.769 -2.475 681 1HB ARG 405 2HB ARG 405 4.541 14.000 -0.236 682 2HB ARG 405 1HB ARG 405 3.198 12.868 -0.199 683 1HG ARG 405 2HG ARG 405 4.810 11.000 -0.161 684 2HG ARG 405 1HG ARG 405 6.126 12.173 -0.108 685 1HD ARG 405 2HD ARG 405 5.152 13.085 1.984 686 2HD ARG 405 1HD ARG 405 3.967 11.780 1.956 687 HE ARG 405 HE ARG 405 6.106 10.316 1.929 688 1HH1 ARG 405 1HH1 ARG 405 5.686 13.301 3.701 689 2HH1 ARG 405 2HH1 ARG 405 6.818 12.866 4.934 690 1HH2 ARG 405 1HH2 ARG 405 7.590 9.752 3.557 691 2HH2 ARG 405 2HH2 ARG 405 7.897 10.856 4.855 692 H VAL 406 H VAL 406 5.253 14.447 -3.761 693 HA VAL 406 HA VAL 406 7.540 13.033 -4.478 694 HB VAL 406 HB VAL 406 8.400 15.256 -5.305 695 1HG1 VAL 406 1HG1 VAL 406 6.143 15.423 -6.767 696 2HG1 VAL 406 2HG1 VAL 406 5.926 13.834 -6.024 697 3HG1 VAL 406 3HG1 VAL 406 7.368 14.172 -6.989 698 1HG2 VAL 406 1HG2 VAL 406 7.469 17.150 -4.599 699 2HG2 VAL 406 2HG2 VAL 406 6.476 16.204 -3.490 700 3HG2 VAL 406 3HG2 VAL 406 5.872 16.592 -5.100 701 H GLY 407 H GLY 407 9.712 13.295 -4.022 702 1HA GLY 407 2HA GLY 407 10.441 13.309 -1.375 703 2HA GLY 407 1HA GLY 407 11.549 13.560 -2.710 704 H ASP 408 H ASP 408 9.753 16.057 -3.283 705 HA ASP 408 HA ASP 408 11.485 17.897 -1.975 706 1HB ASP 408 2HB ASP 408 9.326 18.011 -3.948 707 2HB ASP 408 1HB ASP 408 9.348 19.400 -2.866 708 H GLY 409 H GLY 409 8.974 16.133 -0.781 709 1HA GLY 409 2HA GLY 409 8.119 16.238 1.379 710 2HA GLY 409 1HA GLY 409 8.708 17.890 1.510 711 H THR 410 H THR 410 6.646 16.463 -0.995 712 HA THR 410 HA THR 410 4.395 18.065 0.001 713 HB THR 410 HB THR 410 5.536 18.240 -2.786 714 HG1 THR 410 HG1 THR 410 5.576 20.463 -2.297 715 1HG2 THR 410 1HG2 THR 410 3.480 18.522 -3.586 716 2HG2 THR 410 2HG2 THR 410 3.320 19.948 -2.561 717 3HG2 THR 410 3HG2 THR 410 2.785 18.373 -1.973 718 H VAL 411 H VAL 411 2.565 16.924 0.030 719 HA VAL 411 HA VAL 411 2.419 14.352 -1.343 720 HB VAL 411 HB VAL 411 0.555 15.718 0.603 721 1HG1 VAL 411 1HG1 VAL 411 -1.062 14.471 -0.321 722 2HG1 VAL 411 2HG1 VAL 411 -0.249 13.095 0.428 723 3HG1 VAL 411 3HG1 VAL 411 0.090 13.513 -1.252 724 1HG2 VAL 411 1HG2 VAL 411 2.855 14.434 1.149 725 2HG2 VAL 411 2HG2 VAL 411 1.730 13.074 1.157 726 3HG2 VAL 411 3HG2 VAL 411 1.463 14.447 2.232 727 H LEU 412 H LEU 412 1.743 14.386 -3.414 728 HA LEU 412 HA LEU 412 0.293 16.572 -4.506 729 1HB LEU 412 2HB LEU 412 0.779 13.796 -5.580 730 2HB LEU 412 1HB LEU 412 0.003 15.077 -6.489 731 HG LEU 412 HG LEU 412 2.132 15.298 -7.283 732 1HD1 LEU 412 1HD1 LEU 412 2.584 16.853 -4.756 733 2HD1 LEU 412 2HD1 LEU 412 1.396 17.360 -5.957 734 3HD1 LEU 412 3HD1 LEU 412 3.100 17.236 -6.398 735 1HD2 LEU 412 1HD2 LEU 412 4.002 15.099 -5.263 736 2HD2 LEU 412 2HD2 LEU 412 3.593 13.840 -6.429 737 3HD2 LEU 412 3HD2 LEU 412 2.815 13.862 -4.847 738 H GLY 413 H GLY 413 -0.578 13.328 -3.355 739 1HA GLY 413 2HA GLY 413 -3.169 14.143 -2.596 740 2HA GLY 413 1HA GLY 413 -3.254 13.338 -4.154 741 H THR 414 H THR 414 -4.431 11.610 -3.362 742 HA THR 414 HA THR 414 -2.841 9.566 -2.038 743 HB THR 414 HB THR 414 -5.396 9.444 -0.786 744 HG1 THR 414 HG1 THR 414 -5.445 11.401 0.315 745 1HG2 THR 414 1HG2 THR 414 -2.709 10.160 0.386 746 2HG2 THR 414 2HG2 THR 414 -3.270 8.519 0.067 747 3HG2 THR 414 3HG2 THR 414 -4.101 9.519 1.257 748 H GLY 415 H GLY 415 -4.261 7.472 -1.844 749 1HA GLY 415 2HA GLY 415 -6.392 7.259 -3.780 750 2HA GLY 415 1HA GLY 415 -4.891 6.523 -4.317 751 H VAL 416 H VAL 416 -7.767 5.812 -3.012 752 HA VAL 416 HA VAL 416 -6.685 3.461 -1.608 753 HB VAL 416 HB VAL 416 -7.788 5.179 -0.080 754 1HG1 VAL 416 1HG1 VAL 416 -9.683 5.451 -1.866 755 2HG1 VAL 416 2HG1 VAL 416 -10.049 5.582 -0.145 756 3HG1 VAL 416 3HG1 VAL 416 -10.401 4.085 -1.011 757 1HG2 VAL 416 1HG2 VAL 416 -8.951 2.392 -0.160 758 2HG2 VAL 416 2HG2 VAL 416 -8.922 3.463 1.241 759 3HG2 VAL 416 3HG2 VAL 416 -7.412 2.847 0.571 760 H GLY 417 H GLY 417 -7.854 1.526 -1.861 761 1HA GLY 417 2HA GLY 417 -10.233 1.429 -3.473 762 2HA GLY 417 1HA GLY 417 -8.801 0.884 -4.331 763 H ARG 418 H ARG 418 -11.061 -0.750 -3.746 764 HA ARG 418 HA ARG 418 -10.726 -2.334 -1.444 765 1HB ARG 418 2HB ARG 418 -12.106 -4.025 -2.705 766 2HB ARG 418 1HB ARG 418 -12.819 -2.427 -2.543 767 1HG ARG 418 2HG ARG 418 -11.612 -2.108 -4.903 768 2HG ARG 418 1HG ARG 418 -11.877 -3.852 -4.951 769 1HD ARG 418 2HD ARG 418 -14.216 -3.598 -4.708 770 2HD ARG 418 1HD ARG 418 -14.059 -1.901 -4.257 771 HE ARG 418 HE ARG 418 -13.028 -2.355 -6.860 772 1HH1 ARG 418 1HH1 ARG 418 -16.017 -2.054 -5.093 773 2HH1 ARG 418 2HH1 ARG 418 -16.920 -1.493 -6.461 774 1HH2 ARG 418 1HH2 ARG 418 -14.215 -1.618 -8.668 775 2HH2 ARG 418 2HH2 ARG 418 -15.898 -1.246 -8.490 776 H ASN 419 H ASN 419 -9.462 -2.758 -4.726 777 HA ASN 419 HA ASN 419 -7.948 -5.089 -3.815 778 1HB ASN 419 2HB ASN 419 -8.016 -5.891 -5.946 779 2HB ASN 419 1HB ASN 419 -9.433 -4.858 -6.035 780 1HD2 ASN 419 1HD2 ASN 419 -9.386 -3.028 -7.277 781 2HD2 ASN 419 2HD2 ASN 419 -8.113 -2.690 -8.393 782 H ILE 420 H ILE 420 -7.353 -2.404 -3.065 783 HA ILE 420 HA ILE 420 -5.709 -0.870 -2.887 784 HB ILE 420 HB ILE 420 -3.726 -1.701 -2.197 785 1HG1 ILE 420 2HG1 ILE 420 -2.952 -4.053 -3.139 786 2HG1 ILE 420 1HG1 ILE 420 -3.943 -3.580 -4.510 787 1HG2 ILE 420 1HG2 ILE 420 -4.335 -3.382 -0.808 788 2HG2 ILE 420 2HG2 ILE 420 -4.969 -4.374 -2.117 789 3HG2 ILE 420 3HG2 ILE 420 -5.931 -3.042 -1.479 790 1HD1 ILE 420 1HD1 ILE 420 -1.417 -2.389 -3.497 791 2HD1 ILE 420 2HD1 ILE 420 -2.558 -1.369 -4.377 792 3HD1 ILE 420 3HD1 ILE 420 -1.885 -2.810 -5.143 793 H LYS 421 H LYS 421 -4.993 -2.829 -5.831 794 HA LYS 421 HA LYS 421 -3.099 -1.172 -6.928 795 1HB LYS 421 2HB LYS 421 -3.370 -2.932 -8.325 796 2HB LYS 421 1HB LYS 421 -5.094 -3.052 -8.018 797 1HG LYS 421 2HG LYS 421 -3.902 -0.903 -9.737 798 2HG LYS 421 1HG LYS 421 -4.392 -2.477 -10.371 799 1HD LYS 421 2HD LYS 421 -6.596 -1.799 -8.974 800 2HD LYS 421 1HD LYS 421 -6.021 -0.205 -9.459 801 1HE LYS 421 2HE LYS 421 -6.146 -0.740 -11.750 802 2HE LYS 421 1HE LYS 421 -6.296 -2.465 -11.419 803 1HZ LYS 421 1HZ LYS 421 -8.397 -1.021 -10.178 804 2HZ LYS 421 2HZ LYS 421 -8.487 -2.269 -11.316 805 3HZ LYS 421 3HZ LYS 421 -8.341 -0.664 -11.831 806 H ILE 422 H ILE 422 -6.629 -0.887 -7.077 807 HA ILE 422 HA ILE 422 -6.847 1.420 -8.603 808 HB ILE 422 HB ILE 422 -8.530 1.582 -6.220 809 1HG1 ILE 422 2HG1 ILE 422 -9.918 -0.444 -7.032 810 2HG1 ILE 422 1HG1 ILE 422 -8.413 -0.982 -7.773 811 1HG2 ILE 422 1HG2 ILE 422 -9.006 2.821 -8.219 812 2HG2 ILE 422 2HG2 ILE 422 -10.312 1.668 -7.915 813 3HG2 ILE 422 3HG2 ILE 422 -9.109 1.330 -9.161 814 1HD1 ILE 422 1HD1 ILE 422 -8.094 -1.991 -5.806 815 2HD1 ILE 422 2HD1 ILE 422 -9.222 -0.925 -4.965 816 3HD1 ILE 422 3HD1 ILE 422 -7.570 -0.392 -5.275 817 H ALA 423 H ALA 423 -5.992 0.901 -5.254 818 HA ALA 423 HA ALA 423 -5.880 3.599 -4.444 819 1HB ALA 423 1HB ALA 423 -5.174 2.774 -2.478 820 2HB ALA 423 2HB ALA 423 -3.898 1.813 -3.226 821 3HB ALA 423 3HB ALA 423 -5.555 1.205 -3.192 822 H GLY 424 H GLY 424 -3.384 1.393 -5.722 823 1HA GLY 424 2HA GLY 424 -1.279 3.283 -5.693 824 2HA GLY 424 1HA GLY 424 -1.343 1.837 -6.696 825 H ILE 425 H ILE 425 -3.025 2.047 -8.551 826 HA ILE 425 HA ILE 425 -2.142 3.942 -10.365 827 HB ILE 425 HB ILE 425 -4.746 2.436 -10.211 828 1HG1 ILE 425 2HG1 ILE 425 -3.807 1.009 -11.812 829 2HG1 ILE 425 1HG1 ILE 425 -2.620 2.205 -12.319 830 1HG2 ILE 425 1HG2 ILE 425 -5.574 4.123 -11.486 831 2HG2 ILE 425 2HG2 ILE 425 -4.762 3.213 -12.761 832 3HG2 ILE 425 3HG2 ILE 425 -3.981 4.627 -12.051 833 1HD1 ILE 425 1HD1 ILE 425 -2.621 0.638 -9.754 834 2HD1 ILE 425 2HD1 ILE 425 -1.481 1.926 -10.143 835 3HD1 ILE 425 3HD1 ILE 425 -1.517 0.455 -11.116 836 H ARG 426 H ARG 426 -4.634 4.184 -7.921 837 HA ARG 426 HA ARG 426 -5.831 6.578 -8.834 838 1HB ARG 426 2HB ARG 426 -7.043 5.264 -7.249 839 2HB ARG 426 1HB ARG 426 -5.700 5.284 -6.109 840 1HG ARG 426 2HG ARG 426 -7.459 6.754 -5.363 841 2HG ARG 426 1HG ARG 426 -6.022 7.690 -5.782 842 1HD ARG 426 2HD ARG 426 -6.989 8.314 -7.900 843 2HD ARG 426 1HD ARG 426 -8.378 7.265 -7.615 844 HE ARG 426 HE ARG 426 -8.530 8.916 -5.526 845 1HH1 ARG 426 1HH1 ARG 426 -7.982 9.573 -8.903 846 2HH1 ARG 426 2HH1 ARG 426 -8.773 11.114 -8.864 847 1HH2 ARG 426 1HH2 ARG 426 -9.578 10.942 -5.467 848 2HH2 ARG 426 2HH2 ARG 426 -9.681 11.891 -6.913 849 H ALA 427 H ALA 427 -3.264 5.939 -6.439 850 HA ALA 427 HA ALA 427 -2.772 8.511 -5.586 851 1HB ALA 427 1HB ALA 427 -0.702 6.394 -6.172 852 2HB ALA 427 2HB ALA 427 -1.617 6.558 -4.676 853 3HB ALA 427 3HB ALA 427 -0.473 7.813 -5.148 854 H ALA 428 H ALA 428 -1.684 6.887 -8.527 855 HA ALA 428 HA ALA 428 -0.015 8.909 -9.521 856 1HB ALA 428 1HB ALA 428 -1.714 6.942 -11.058 857 2HB ALA 428 2HB ALA 428 -0.054 6.692 -10.519 858 3HB ALA 428 3HB ALA 428 -0.410 7.913 -11.741 859 H GLU 429 H GLU 429 -3.407 8.224 -10.416 860 HA GLU 429 HA GLU 429 -3.922 10.446 -11.945 861 1HB GLU 429 2HB GLU 429 -5.754 9.018 -10.007 862 2HB GLU 429 1HB GLU 429 -6.304 10.211 -11.176 863 1HG GLU 429 2HG GLU 429 -4.711 7.954 -12.223 864 2HG GLU 429 1HG GLU 429 -6.335 7.589 -11.641 865 H ASN 430 H ASN 430 -3.712 10.166 -8.468 866 HA ASN 430 HA ASN 430 -4.833 12.669 -7.797 867 1HB ASN 430 2HB ASN 430 -3.293 10.576 -6.427 868 2HB ASN 430 1HB ASN 430 -3.040 12.199 -5.790 869 1HD2 ASN 430 1HD2 ASN 430 -5.690 10.115 -6.889 870 2HD2 ASN 430 2HD2 ASN 430 -6.786 10.554 -5.627 871 H ALA 431 H ALA 431 -1.563 11.624 -8.604 872 HA ALA 431 HA ALA 431 -0.244 14.022 -7.971 873 1HB ALA 431 1HB ALA 431 0.525 12.019 -10.090 874 2HB ALA 431 2HB ALA 431 0.939 11.901 -8.379 875 3HB ALA 431 3HB ALA 431 1.580 13.225 -9.352 876 H LEU 432 H LEU 432 -1.805 12.874 -10.911 877 HA LEU 432 HA LEU 432 -1.210 15.348 -12.310 878 1HB LEU 432 2HB LEU 432 -2.639 14.230 -14.114 879 2HB LEU 432 1HB LEU 432 -1.088 13.507 -13.730 880 HG LEU 432 HG LEU 432 -3.238 12.362 -12.143 881 1HD1 LEU 432 1HD1 LEU 432 -3.418 11.573 -14.998 882 2HD1 LEU 432 2HD1 LEU 432 -4.249 13.044 -14.492 883 3HD1 LEU 432 3HD1 LEU 432 -4.634 11.504 -13.722 884 1HD2 LEU 432 1HD2 LEU 432 -2.193 10.323 -12.745 885 2HD2 LEU 432 2HD2 LEU 432 -0.901 11.499 -12.505 886 3HD2 LEU 432 3HD2 LEU 432 -1.402 11.061 -14.139 887 H ARG 433 H ARG 433 -3.369 14.525 -10.007 888 HA ARG 433 HA ARG 433 -5.702 15.807 -11.172 889 1HB ARG 433 2HB ARG 433 -5.854 13.805 -9.654 890 2HB ARG 433 1HB ARG 433 -5.320 14.839 -8.336 891 1HG ARG 433 2HG ARG 433 -7.284 16.240 -8.609 892 2HG ARG 433 1HG ARG 433 -7.812 15.253 -9.973 893 1HD ARG 433 2HD ARG 433 -8.269 13.409 -8.610 894 2HD ARG 433 1HD ARG 433 -7.308 14.045 -7.276 895 HE ARG 433 HE ARG 433 -10.047 14.706 -7.927 896 1HH1 ARG 433 1HH1 ARG 433 -7.172 15.601 -6.181 897 2HH1 ARG 433 2HH1 ARG 433 -8.018 16.582 -5.031 898 1HH2 ARG 433 1HH2 ARG 433 -11.174 15.992 -6.419 899 2HH2 ARG 433 2HH2 ARG 433 -10.295 16.803 -5.166 900 H ASP 434 H ASP 434 -3.035 17.159 -10.419 901 HA ASP 434 HA ASP 434 -4.280 19.404 -8.980 902 1HB ASP 434 2HB ASP 434 -1.626 18.095 -8.502 903 2HB ASP 434 1HB ASP 434 -1.861 19.793 -8.100 904 H LYS 435 H LYS 435 -4.654 20.155 -11.201 905 HA LYS 435 HA LYS 435 -2.711 20.682 -13.090 906 1HB LYS 435 2HB LYS 435 -4.286 21.949 -14.159 907 2HB LYS 435 1HB LYS 435 -5.339 21.124 -13.019 908 1HG LYS 435 2HG LYS 435 -4.716 23.236 -11.528 909 2HG LYS 435 1HG LYS 435 -4.499 23.960 -13.124 910 1HD LYS 435 2HD LYS 435 -6.926 22.398 -13.012 911 2HD LYS 435 1HD LYS 435 -6.896 23.612 -11.730 912 1HE LYS 435 2HE LYS 435 -7.907 24.640 -13.610 913 2HE LYS 435 1HE LYS 435 -6.275 25.297 -13.496 914 1HZ LYS 435 1HZ LYS 435 -7.449 24.042 -15.674 915 2HZ LYS 435 2HZ LYS 435 -6.254 22.986 -15.111 916 3HZ LYS 435 3HZ LYS 435 -5.850 24.574 -15.530 917 H LYS 436 H LYS 436 -3.471 22.354 -10.128 918 HA LYS 436 HA LYS 436 -1.921 24.683 -10.646 919 1HB LYS 436 2HB LYS 436 -2.232 23.863 -7.825 920 2HB LYS 436 1HB LYS 436 -2.607 25.396 -8.596 921 1HG LYS 436 2HG LYS 436 -4.540 23.813 -9.644 922 2HG LYS 436 1HG LYS 436 -4.326 23.082 -8.053 923 1HD LYS 436 2HD LYS 436 -5.046 25.933 -8.705 924 2HD LYS 436 1HD LYS 436 -6.008 24.744 -7.826 925 1HE LYS 436 2HE LYS 436 -5.002 25.214 -5.887 926 2HE LYS 436 1HE LYS 436 -3.398 25.193 -6.620 927 1HZ LYS 436 1HZ LYS 436 -3.542 27.429 -7.180 928 2HZ LYS 436 2HZ LYS 436 -4.247 27.378 -5.643 929 3HZ LYS 436 3HZ LYS 436 -5.226 27.478 -7.018 930 H MET 437 H MET 437 -1.301 21.619 -8.997 931 HA MET 437 HA MET 437 1.389 22.328 -8.278 932 1HB MET 437 2HB MET 437 0.081 20.715 -6.946 933 2HB MET 437 1HB MET 437 0.045 19.617 -8.320 934 1HG MET 437 2HG MET 437 2.643 20.563 -7.183 935 2HG MET 437 1HG MET 437 1.764 19.226 -6.447 936 1HE MET 437 1HE MET 437 0.710 17.436 -7.879 937 2HE MET 437 2HE MET 437 1.685 16.499 -9.012 938 3HE MET 437 3HE MET 437 0.660 17.806 -9.602 939 H LEU 438 H LEU 438 -0.147 20.295 -10.744 940 HA LEU 438 HA LEU 438 2.119 19.244 -11.948 941 1HB LEU 438 2HB LEU 438 -0.528 20.093 -13.110 942 2HB LEU 438 1HB LEU 438 0.711 19.319 -14.078 943 HG LEU 438 HG LEU 438 -0.481 18.063 -11.610 944 1HD1 LEU 438 1HD1 LEU 438 -2.289 17.521 -12.763 945 2HD1 LEU 438 2HD1 LEU 438 -1.289 16.765 -14.006 946 3HD1 LEU 438 3HD1 LEU 438 -1.705 18.478 -14.125 947 1HD2 LEU 438 1HD2 LEU 438 1.454 17.218 -13.710 948 2HD2 LEU 438 2HD2 LEU 438 0.392 16.011 -12.986 949 3HD2 LEU 438 3HD2 LEU 438 1.490 16.946 -11.970 950 H ASP 439 H ASP 439 0.292 22.036 -13.202 951 HA ASP 439 HA ASP 439 2.236 22.986 -14.927 952 1HB ASP 439 2HB ASP 439 -0.169 23.753 -14.763 953 2HB ASP 439 1HB ASP 439 0.297 24.712 -13.366 954 H PHE 440 H PHE 440 1.694 23.686 -11.505 955 HA PHE 440 HA PHE 440 3.597 25.678 -11.133 956 1HB PHE 440 2HB PHE 440 2.318 25.347 -9.234 957 2HB PHE 440 1HB PHE 440 2.374 23.594 -9.375 958 HD1 PHE 440 HD1 PHE 440 4.803 26.388 -8.871 959 HD2 PHE 440 HD2 PHE 440 3.498 22.506 -7.718 960 HE1 PHE 440 HE1 PHE 440 6.573 26.308 -7.162 961 HE2 PHE 440 HE2 PHE 440 5.266 22.419 -6.004 962 HZ PHE 440 HZ PHE 440 6.805 24.320 -5.726 963 H TYR 441 H TYR 441 3.894 22.231 -11.497 964 HA TYR 441 HA TYR 441 6.672 22.162 -10.780 965 1HB TYR 441 2HB TYR 441 4.682 20.168 -11.774 966 2HB TYR 441 1HB TYR 441 6.399 19.802 -11.938 967 HD1 TYR 441 HD1 TYR 441 6.864 18.176 -10.327 968 HD2 TYR 441 HD2 TYR 441 4.571 21.585 -9.242 969 HE1 TYR 441 HE1 TYR 441 6.946 17.476 -7.973 970 HE2 TYR 441 HE2 TYR 441 4.645 20.902 -6.893 971 HH TYR 441 HH TYR 441 5.325 19.370 -5.436 972 H ALA 442 H ALA 442 4.780 22.541 -13.673 973 HA ALA 442 HA ALA 442 6.691 21.960 -15.621 974 1HB ALA 442 1HB ALA 442 4.657 24.198 -15.688 975 2HB ALA 442 2HB ALA 442 4.368 22.534 -16.192 976 3HB ALA 442 3HB ALA 442 5.515 23.536 -17.080 977 H LYS 443 H LYS 443 6.165 24.763 -13.597 978 HA LYS 443 HA LYS 443 8.315 26.313 -14.712 979 1HB LYS 443 2HB LYS 443 7.576 26.984 -11.964 980 2HB LYS 443 1HB LYS 443 7.541 27.984 -13.409 981 1HG LYS 443 2HG LYS 443 5.385 26.930 -14.026 982 2HG LYS 443 1HG LYS 443 5.417 26.057 -12.493 983 1HD LYS 443 2HD LYS 443 4.062 28.216 -12.577 984 2HD LYS 443 1HD LYS 443 5.195 28.027 -11.238 985 1HE LYS 443 2HE LYS 443 6.626 29.625 -12.043 986 2HE LYS 443 1HE LYS 443 6.151 29.360 -13.720 987 1HZ LYS 443 1HZ LYS 443 5.331 31.472 -12.997 988 2HZ LYS 443 2HZ LYS 443 4.589 30.788 -11.638 989 3HZ LYS 443 3HZ LYS 443 4.009 30.432 -13.186 990 H GLN 444 H GLN 444 7.831 24.239 -11.894 991 HA GLN 444 HA GLN 444 10.357 24.628 -10.711 992 1HB GLN 444 2HB GLN 444 9.670 23.100 -9.171 993 2HB GLN 444 1HB GLN 444 8.104 23.361 -9.927 994 1HG GLN 444 2HG GLN 444 8.043 21.146 -10.126 995 2HG GLN 444 1HG GLN 444 9.169 21.363 -11.466 996 1HE2 GLN 444 1HE2 GLN 444 11.267 22.282 -9.602 997 2HE2 GLN 444 2HE2 GLN 444 11.862 20.855 -8.841 998 H ARG 445 H ARG 445 9.461 23.090 -13.573 999 HA ARG 445 HA ARG 445 11.693 21.227 -13.607 1000 1HB ARG 445 2HB ARG 445 9.172 21.261 -14.805 1001 2HB ARG 445 1HB ARG 445 10.288 21.559 -16.129 1002 1HG ARG 445 2HG ARG 445 10.558 19.265 -14.204 1003 2HG ARG 445 1HG ARG 445 9.717 19.163 -15.753 1004 1HD ARG 445 2HD ARG 445 12.399 20.322 -15.919 1005 2HD ARG 445 1HD ARG 445 12.375 18.652 -15.357 1006 HE ARG 445 HE ARG 445 12.067 19.472 -17.995 1007 1HH1 ARG 445 1HH1 ARG 445 10.442 17.393 -15.715 1008 2HH1 ARG 445 2HH1 ARG 445 9.834 16.323 -16.933 1009 1HH2 ARG 445 1HH2 ARG 445 11.258 18.075 -19.600 1010 2HH2 ARG 445 2HH2 ARG 445 10.293 16.712 -19.139 1011 H ALA 446 H ALA 446 10.578 24.100 -15.372 1012 HA ALA 446 HA ALA 446 12.884 24.251 -17.035 1013 1HB ALA 446 1HB ALA 446 10.607 26.072 -16.422 1014 2HB ALA 446 2HB ALA 446 11.143 25.419 -17.970 1015 3HB ALA 446 3HB ALA 446 12.036 26.737 -17.212 1016 H ALA 447 H ALA 447 11.977 25.581 -13.935 1017 HA ALA 447 HA ALA 447 14.231 27.321 -13.694 1018 1HB ALA 447 1HB ALA 447 13.489 27.264 -11.204 1019 2HB ALA 447 2HB ALA 447 12.075 26.419 -11.837 1020 3HB ALA 447 3HB ALA 447 12.461 28.042 -12.408 1021 H ILE 448 H ILE 448 13.424 24.778 -11.362 1022 HA ILE 448 HA ILE 448 14.946 23.718 -9.946 1023 HB ILE 448 HB ILE 448 16.198 21.985 -11.605 1024 1HG1 ILE 448 2HG1 ILE 448 13.634 22.474 -13.065 1025 2HG1 ILE 448 1HG1 ILE 448 15.055 23.424 -13.488 1026 1HG2 ILE 448 1HG2 ILE 448 13.835 20.764 -11.453 1027 2HG2 ILE 448 2HG2 ILE 448 13.537 22.074 -10.311 1028 3HG2 ILE 448 3HG2 ILE 448 14.888 20.971 -10.054 1029 1HD1 ILE 448 1HD1 ILE 448 15.393 21.738 -14.929 1030 2HD1 ILE 448 2HD1 ILE 448 14.454 20.589 -13.976 1031 3HD1 ILE 448 3HD1 ILE 448 16.116 20.960 -13.522 1032 HA PRO 449 HA PRO 449 18.836 25.899 -10.714 1033 1HB PRO 449 2HB PRO 449 19.156 26.866 -8.263 1034 2HB PRO 449 1HB PRO 449 17.927 27.540 -9.340 1035 1HG PRO 449 2HG PRO 449 17.605 25.617 -7.074 1036 2HG PRO 449 1HG PRO 449 16.591 27.002 -7.519 1037 1HD PRO 449 2HD PRO 449 16.067 24.356 -8.181 1038 2HD PRO 449 1HD PRO 449 15.381 25.770 -9.004 1039 H ARG 450 H ARG 450 17.950 23.374 -8.522 1040 HA ARG 450 HA ARG 450 19.137 21.573 -7.762 1041 1HB ARG 450 2HB ARG 450 20.800 22.628 -9.849 1042 2HB ARG 450 1HB ARG 450 21.814 22.111 -8.509 1043 1HG ARG 450 2HG ARG 450 20.578 19.916 -8.572 1044 2HG ARG 450 1HG ARG 450 19.863 20.464 -10.090 1045 1HD ARG 450 2HD ARG 450 21.729 20.028 -11.237 1046 2HD ARG 450 1HD ARG 450 22.745 20.816 -10.031 1047 HE ARG 450 HE ARG 450 22.075 18.455 -8.871 1048 1HH1 ARG 450 1HH1 ARG 450 23.489 19.335 -11.929 1049 2HH1 ARG 450 2HH1 ARG 450 24.428 17.884 -12.059 1050 1HH2 ARG 450 1HH2 ARG 450 23.306 16.541 -9.033 1051 2HH2 ARG 450 2HH2 ARG 450 24.322 16.297 -10.414 1052 H SER 451 H SER 451 18.821 24.073 -6.316 1053 HA SER 451 HA SER 451 21.234 24.038 -4.630 1054 1HB SER 451 2HB SER 451 19.136 26.193 -4.971 1055 2HB SER 451 1HB SER 451 20.465 26.267 -3.816 1056 HG SER 451 HG SER 451 21.858 25.983 -5.721 1057 H GLU 452 H GLU 452 20.604 24.801 -2.281 1058 HA GLU 452 HA GLU 452 18.235 23.281 -1.417 1059 1HB GLU 452 2HB GLU 452 20.157 21.917 -0.907 1060 2HB GLU 452 1HB GLU 452 20.987 23.282 -0.172 1061 1HG GLU 452 2HG GLU 452 18.858 23.282 1.385 1062 2HG GLU 452 1HG GLU 452 18.799 21.589 0.894 1063 H SER 453 HN SER 453 16.839 24.518 -0.362 1064 HA SER 453 HA SER 453 17.352 27.183 0.368 1065 1HB SER 453 2HB SER 453 15.158 25.622 1.682 1066 2HB SER 453 1HB SER 453 15.139 27.276 1.070 1067 HG SER 453 HG SER 453 14.315 26.469 -0.674 Start of MODEL 13 1 1H5* G 1 2H5* G 1 -18.123 -28.420 -4.903 2 2H5* G 1 1H5* G 1 -16.680 -27.932 -5.815 3 H4* G 1 H4* G 1 -18.546 -26.883 -6.889 4 H3* G 1 H3* G 1 -16.790 -25.104 -5.204 5 H2* G 1 H2* G 1 -18.233 -23.241 -5.477 6 2HO* G 1 HO2* G 1 -19.444 -24.811 -7.532 7 H1* G 1 H1* G 1 -20.573 -24.450 -5.035 8 H8 G 1 H8 G 1 -18.229 -26.384 -2.881 9 H1 G 1 H1 G 1 -19.366 -20.580 -0.501 10 1H2 G 1 1H2 G 1 -20.406 -19.332 -2.012 11 2H2 G 1 2H2 G 1 -20.816 -19.931 -3.604 12 H5T G 1 H5T G 1 -16.954 -27.746 -3.292 13 1H5* G 2 2H5* G 2 -18.531 -22.749 -7.916 14 2H5* G 2 1H5* G 2 -17.339 -22.230 -9.125 15 H4* G 2 H4* G 2 -18.613 -20.282 -8.577 16 H3* G 2 H3* G 2 -15.923 -20.366 -7.149 17 H2* G 2 H2* G 2 -16.406 -18.192 -6.306 18 2HO* G 2 HO2* G 2 -18.554 -18.170 -8.193 19 H1* G 2 H1* G 2 -19.044 -18.668 -5.708 20 H8 G 2 H8 G 2 -16.968 -21.668 -4.769 21 H1 G 2 H1 G 2 -16.509 -16.931 -0.536 22 1H2 G 2 1H2 G 2 -17.445 -15.095 -1.346 23 2H2 G 2 2H2 G 2 -18.185 -15.039 -2.930 24 1H5* G 3 2H5* G 3 -16.426 -16.224 -8.592 25 2H5* G 3 1H5* G 3 -14.831 -15.874 -9.279 26 H4* G 3 H4* G 3 -15.623 -14.264 -7.474 27 H3* G 3 H3* G 3 -12.998 -15.745 -7.488 28 H2* G 3 H2* G 3 -12.515 -15.192 -5.304 29 2HO* G 3 HO2* G 3 -14.138 -12.880 -5.299 30 H1* G 3 H1* G 3 -15.152 -14.422 -4.428 31 H8 G 3 H8 G 3 -14.557 -18.054 -5.214 32 H1 G 3 H1 G 3 -12.659 -16.452 0.663 33 1H2 G 3 1H2 G 3 -12.717 -14.254 0.906 34 2H2 G 3 2H2 G 3 -13.222 -13.179 -0.378 35 1H5* A 4 2H5* A 4 -13.074 -11.261 -6.103 36 2H5* A 4 1H5* A 4 -11.717 -10.542 -6.992 37 H4* A 4 H4* A 4 -11.685 -9.682 -4.721 38 H3* A 4 H3* A 4 -9.538 -11.703 -5.441 39 H2* A 4 H2* A 4 -8.658 -11.571 -3.268 40 2HO* A 4 HO2* A 4 -10.239 -9.262 -2.729 41 H1* A 4 H1* A 4 -11.043 -11.217 -1.876 42 H8 A 4 H8 A 4 -10.948 -14.014 -4.465 43 1H6 A 4 1H6 A 4 -8.856 -17.629 0.060 44 2H6 A 4 2H6 A 4 -9.429 -17.593 -1.592 45 H2 A 4 H2 A 4 -8.971 -13.406 1.579 46 1H5* U 5 2H5* U 5 -8.457 -7.382 -3.415 47 2H5* U 5 1H5* U 5 -6.765 -7.154 -3.898 48 H4* U 5 H4* U 5 -7.289 -6.721 -1.443 49 H3* U 5 H3* U 5 -5.145 -8.620 -2.430 50 H2* U 5 H2* U 5 -4.570 -9.157 -0.176 51 2HO* U 5 HO2* U 5 -5.781 -6.711 0.304 52 H1* U 5 H1* U 5 -7.073 -9.518 0.758 53 H3 U 5 H3 U 5 -5.538 -13.742 0.087 54 H5 U 5 H5 U 5 -6.394 -12.333 -3.784 55 H6 U 5 H6 U 5 -6.835 -10.150 -2.830 56 1H5* A 6 2H5* A 6 -3.111 -6.727 0.823 57 2H5* A 6 1H5* A 6 -1.475 -6.399 0.217 58 H4* A 6 H4* A 6 -1.539 -7.960 2.194 59 H3* A 6 H3* A 6 -0.386 -8.810 -0.485 60 H2* A 6 H2* A 6 0.124 -10.914 0.406 61 2HO* A 6 HO2* A 6 -0.238 -10.880 2.976 62 H1* A 6 H1* A 6 -2.003 -11.122 2.220 63 H8 A 6 H8 A 6 -3.128 -10.316 -1.288 64 1H6 A 6 1H6 A 6 -2.774 -16.322 -2.554 65 2H6 A 6 2H6 A 6 -3.309 -14.760 -3.131 66 H2 A 6 H2 A 6 -0.928 -15.648 1.493 67 1H5* C 7 2H5* C 7 1.693 -9.957 3.026 68 2H5* C 7 1H5* C 7 3.227 -9.066 3.082 69 H4* C 7 H4* C 7 3.798 -11.141 4.011 70 H3* C 7 H3* C 7 4.488 -10.939 1.086 71 H2* C 7 H2* C 7 5.077 -13.220 0.940 72 2HO* C 7 HO2* C 7 4.891 -13.530 3.757 73 H1* C 7 H1* C 7 3.121 -14.306 2.469 74 1H4 C 7 1H4 C 7 0.552 -14.542 -3.309 75 2H4 C 7 2H4 C 7 0.372 -12.803 -3.349 76 H5 C 7 H5 C 7 1.178 -11.353 -1.607 77 H6 C 7 H6 C 7 2.328 -11.255 0.553 78 1H5* C 8 2H5* C 8 7.641 -13.494 2.272 79 2H5* C 8 1H5* C 8 9.108 -12.680 1.693 80 H4* C 8 H4* C 8 8.951 -14.898 0.674 81 H3* C 8 H3* C 8 8.529 -12.471 -1.088 82 H2* C 8 H2* C 8 7.947 -13.795 -2.893 83 2HO* C 8 HO2* C 8 8.798 -16.048 -2.973 84 H1* C 8 H1* C 8 7.228 -16.176 -1.459 85 1H4 C 8 1H4 C 8 2.256 -14.456 -5.023 86 2H4 C 8 2H4 C 8 2.105 -12.946 -4.157 87 H5 C 8 H5 C 8 3.620 -12.266 -2.416 88 H6 C 8 H6 C 8 5.601 -12.888 -1.123 89 1H5* A 9 2H5* A 9 11.545 -15.870 -2.780 90 2H5* A 9 1H5* A 9 12.637 -14.884 -3.776 91 H4* A 9 H4* A 9 11.680 -16.899 -4.960 92 H3* A 9 H3* A 9 11.258 -14.068 -5.969 93 H2* A 9 H2* A 9 10.024 -14.901 -7.802 94 2HO* A 9 HO2* A 9 10.422 -17.602 -7.392 95 H1* A 9 H1* A 9 8.727 -16.977 -6.504 96 H8 A 9 H8 A 9 8.909 -13.558 -4.779 97 1H6 A 9 1H6 A 9 3.510 -12.320 -7.461 98 2H6 A 9 2H6 A 9 4.710 -11.756 -6.321 99 H2 A 9 H2 A 9 4.991 -16.255 -9.058 100 1H5* U 10 2H5* U 10 11.492 -16.735 -9.350 101 2H5* U 10 1H5* U 10 12.715 -16.010 -10.413 102 H4* U 10 H4* U 10 10.568 -16.358 -11.600 103 H3* U 10 H3* U 10 11.745 -13.626 -11.172 104 H2* U 10 H2* U 10 9.787 -12.520 -11.670 105 2HO* U 10 HO2* U 10 9.618 -14.524 -13.663 106 H1* U 10 H1* U 10 7.997 -14.829 -11.693 107 H3 U 10 H3 U 10 5.124 -11.865 -9.970 108 H5 U 10 H5 U 10 8.485 -11.473 -7.482 109 H6 U 10 H6 U 10 9.645 -13.059 -8.896 110 1H5* G 11 2H5* G 11 10.594 -15.174 -15.668 111 2H5* G 11 1H5* G 11 11.097 -13.945 -16.843 112 H4* G 11 H4* G 11 8.657 -14.817 -16.961 113 H3* G 11 H3* G 11 9.537 -11.913 -16.973 114 H2* G 11 H2* G 11 7.312 -11.198 -16.986 115 2HO* G 11 HO2* G 11 5.803 -12.206 -18.135 116 H1* G 11 H1* G 11 6.152 -13.433 -15.671 117 H8 G 11 H8 G 11 8.767 -11.875 -13.527 118 H1 G 11 H1 G 11 3.394 -8.440 -13.588 119 1H2 G 11 1H2 G 11 2.048 -9.166 -15.192 120 2H2 G 11 2H2 G 11 2.471 -10.497 -16.246 121 1H5* U 12 2H5* U 12 6.504 -13.594 -20.024 122 2H5* U 12 1H5* U 12 6.537 -12.622 -21.509 123 H4* U 12 H4* U 12 4.237 -13.050 -20.407 124 H3* U 12 H3* U 12 5.353 -10.428 -21.393 125 H2* U 12 H2* U 12 3.536 -9.200 -20.525 126 2HO* U 12 HO2* U 12 1.569 -10.141 -20.038 127 H1* U 12 H1* U 12 3.157 -10.522 -18.179 128 H3 U 12 H3 U 12 4.820 -6.474 -17.012 129 H5 U 12 H5 U 12 8.191 -8.710 -18.193 130 H6 U 12 H6 U 12 6.686 -10.437 -18.990 131 1H5* U 13 2H5* U 13 0.878 -10.539 -21.618 132 2H5* U 13 1H5* U 13 0.475 -9.772 -23.167 133 H4* U 13 H4* U 13 -0.513 -8.710 -21.030 134 H3* U 13 H3* U 13 0.962 -7.289 -23.249 135 H2* U 13 H2* U 13 1.111 -5.332 -22.035 136 2HO* U 13 HO2* U 13 -1.219 -5.930 -20.534 137 H1* U 13 H1* U 13 0.456 -6.429 -19.422 138 H3 U 13 H3 U 13 3.576 -3.304 -18.412 139 H5 U 13 H5 U 13 5.612 -5.998 -20.937 140 H6 U 13 H6 U 13 3.522 -7.171 -21.273 141 1H5* C 14 2H5* C 14 -2.988 -5.362 -21.794 142 2H5* C 14 1H5* C 14 -3.638 -4.348 -23.099 143 H4* C 14 H4* C 14 -3.235 -3.239 -20.790 144 H3* C 14 H3* C 14 -2.304 -2.176 -23.475 145 H2* C 14 H2* C 14 -1.245 -0.373 -22.427 146 2HO* C 14 HO2* C 14 -2.575 0.654 -21.138 147 H1* C 14 H1* C 14 -0.701 -1.619 -19.933 148 1H4 C 14 1H4 C 14 4.828 -0.354 -22.844 149 2H4 C 14 2H4 C 14 4.625 -1.762 -23.862 150 H5 C 14 H5 C 14 2.649 -3.133 -23.838 151 H6 C 14 H6 C 14 0.437 -3.452 -22.839 152 1H5* A 15 2H5* A 15 -3.225 1.059 -25.691 153 2H5* A 15 1H5* A 15 -2.396 -0.376 -25.054 154 H4* A 15 H4* A 15 -1.899 2.247 -23.686 155 H3* A 15 H3* A 15 -1.011 1.541 -26.498 156 H2* A 15 H2* A 15 1.163 2.302 -26.035 157 2HO* A 15 HO2* A 15 -0.201 4.082 -24.525 158 H1* A 15 H1* A 15 1.272 1.609 -23.320 159 H8 A 15 H8 A 15 0.171 -1.355 -25.306 160 1H6 A 15 1H6 A 15 6.065 -2.333 -26.791 161 2H6 A 15 2H6 A 15 4.448 -3.000 -26.819 162 H2 A 15 H2 A 15 5.769 1.713 -24.850 163 1H5* G 16 2H5* G 16 0.100 5.145 -26.477 164 2H5* G 16 1H5* G 16 0.027 6.050 -28.003 165 H4* G 16 H4* G 16 2.332 5.215 -27.350 166 H3* G 16 H3* G 16 1.023 5.141 -29.935 167 H2* G 16 H2* G 16 1.344 2.851 -30.306 168 2HO* G 16 HO2* G 16 3.617 4.236 -30.879 169 H1* G 16 H1* G 16 3.655 2.789 -28.356 170 H8 G 16 H8 G 16 4.257 0.293 -28.341 171 H1 G 16 H1 G 16 -1.733 -1.603 -29.437 172 1H2 G 16 1H2 G 16 -3.064 0.160 -29.626 173 2H2 G 16 2H2 G 16 -2.477 1.802 -29.480 174 1H5* A 17 2H5* A 17 3.516 7.603 -28.255 175 2H5* A 17 1H5* A 17 4.283 8.013 -29.803 176 H4* A 17 H4* A 17 6.014 9.240 -28.749 177 H3* A 17 H3* A 17 6.067 7.348 -26.785 178 H2* A 17 H2* A 17 4.103 7.938 -25.605 179 2HO* A 17 HO2* A 17 4.883 9.817 -24.092 180 H1* A 17 H1* A 17 4.468 10.887 -25.908 181 H8 A 17 H8 A 17 2.129 7.862 -26.543 182 1H6 A 17 1H6 A 17 -2.436 11.574 -24.729 183 2H6 A 17 2H6 A 17 -2.019 9.950 -25.230 184 H2 A 17 H2 A 17 1.366 13.974 -24.804 185 1H5* A 18 2H5* A 18 9.081 9.999 -24.127 186 2H5* A 18 1H5* A 18 9.974 8.603 -23.487 187 H4* A 18 H4* A 18 8.530 9.919 -21.819 188 H3* A 18 H3* A 18 8.560 6.936 -22.236 189 H2* A 18 H2* A 18 6.720 6.582 -20.806 190 2HO* A 18 HO2* A 18 6.479 7.771 -19.071 191 H1* A 18 H1* A 18 5.166 8.690 -21.506 192 H8 A 18 H8 A 18 7.306 6.652 -24.026 193 1H6 A 18 1H6 A 18 2.041 3.811 -25.486 194 2H6 A 18 2H6 A 18 3.746 3.943 -25.849 195 H2 A 18 H2 A 18 1.184 6.718 -22.166 196 1H5* G 19 2H5* G 19 9.936 7.878 -18.004 197 2H5* G 19 1H5* G 19 10.532 6.465 -17.110 198 H4* G 19 H4* G 19 8.089 7.233 -16.686 199 H3* G 19 H3* G 19 9.019 4.406 -17.263 200 H2* G 19 H2* G 19 6.796 3.627 -17.174 201 2HO* G 19 HO2* G 19 6.473 5.886 -15.556 202 H1* G 19 H1* G 19 5.547 5.811 -18.334 203 H8 G 19 H8 G 19 8.516 4.967 -20.415 204 H1 G 19 H1 G 19 3.767 0.796 -21.228 205 1H2 G 19 1H2 G 19 2.216 1.116 -19.671 206 2H2 G 19 2H2 G 19 2.357 2.349 -18.441 207 1H5* A 20 2H5* A 20 6.836 5.364 -13.057 208 2H5* A 20 1H5* A 20 7.093 3.978 -11.978 209 H4* A 20 H4* A 20 4.676 4.868 -12.241 210 H3* A 20 H3* A 20 5.628 2.014 -12.340 211 H2* A 20 H2* A 20 3.505 1.198 -13.011 212 2HO* A 20 HO2* A 20 1.631 2.392 -12.787 213 H1* A 20 H1* A 20 2.883 3.038 -14.849 214 H8 A 20 H8 A 20 6.586 2.771 -15.153 215 1H6 A 20 1H6 A 20 5.789 -2.381 -18.409 216 2H6 A 20 2H6 A 20 6.939 -1.168 -17.906 217 H2 A 20 H2 A 20 1.840 -1.286 -16.558 218 1H5* A 21 2H5* A 21 2.020 2.095 -10.518 219 2H5* A 21 1H5* A 21 1.658 0.784 -9.377 220 H4* A 21 H4* A 21 0.417 0.777 -11.649 221 H3* A 21 H3* A 21 1.828 -1.525 -10.306 222 H2* A 21 H2* A 21 1.648 -2.890 -12.167 223 2HO* A 21 HO2* A 21 -0.106 -2.637 -13.665 224 H1* A 21 H1* A 21 1.371 -0.918 -14.195 225 H8 A 21 H8 A 21 4.639 -0.521 -12.532 226 1H6 A 21 1H6 A 21 6.780 -5.264 -15.810 227 2H6 A 21 2H6 A 21 7.212 -3.933 -14.763 228 H2 A 21 H2 A 21 2.311 -5.156 -16.270 229 1H5* C 22 2H5* C 22 -2.525 -2.500 -12.291 230 2H5* C 22 1H5* C 22 -3.142 -3.638 -11.075 231 H4* C 22 H4* C 22 -3.371 -4.381 -13.502 232 H3* C 22 H3* C 22 -2.090 -5.972 -11.284 233 H2* C 22 H2* C 22 -1.379 -7.669 -12.762 234 2HO* C 22 HO2* C 22 -2.168 -7.482 -15.070 235 H1* C 22 H1* C 22 -0.545 -6.153 -14.833 236 1H4 C 22 1H4 C 22 4.538 -7.100 -11.117 237 2H4 C 22 2H4 C 22 4.075 -5.743 -10.116 238 H5 C 22 H5 C 22 2.020 -4.529 -10.413 239 H6 C 22 H6 C 22 -0.029 -4.342 -11.738 240 1H5* G 23 2H5* G 23 -4.184 -8.430 -14.420 241 2H5* G 23 1H5* G 23 -4.912 -9.819 -13.589 242 H4* G 23 H4* G 23 -3.242 -10.284 -15.529 243 H3* G 23 H3* G 23 -3.141 -11.567 -12.770 244 H2* G 23 H2* G 23 -1.309 -12.864 -13.500 245 2HO* G 23 HO2* G 23 -0.824 -13.115 -15.722 246 H1* G 23 H1* G 23 -0.117 -10.931 -15.112 247 H8 G 23 H8 G 23 -0.988 -9.509 -11.750 248 H1 G 23 H1 G 23 4.363 -12.973 -11.671 249 1H2 G 23 1H2 G 23 4.564 -14.100 -13.574 250 2H2 G 23 2H2 G 23 3.377 -14.000 -14.854 251 1H5* U 24 2H5* U 24 -1.901 -14.565 -15.534 252 2H5* U 24 1H5* U 24 -2.957 -15.943 -15.174 253 H4* U 24 H4* U 24 -0.570 -16.577 -15.030 254 H3* U 24 H3* U 24 -2.431 -16.709 -12.681 255 H2* U 24 H2* U 24 -0.754 -16.721 -11.117 256 2HO* U 24 HO2* U 24 0.742 -18.374 -12.904 257 H1* U 24 H1* U 24 1.508 -16.291 -12.956 258 H3 U 24 H3 U 24 3.199 -14.454 -9.212 259 H5 U 24 H5 U 24 -0.429 -12.392 -9.776 260 H6 U 24 H6 U 24 -0.901 -13.856 -11.648 261 1H5* G 25 2H5* G 25 0.636 -20.263 -13.192 262 2H5* G 25 1H5* G 25 -0.358 -21.707 -12.921 263 H4* G 25 H4* G 25 1.595 -22.191 -11.713 264 H3* G 25 H3* G 25 -0.460 -20.924 -9.856 265 H2* G 25 H2* G 25 1.083 -21.224 -8.068 266 2HO* G 25 HO2* G 25 3.202 -22.359 -8.831 267 H1* G 25 H1* G 25 3.316 -20.415 -9.418 268 H8 G 25 H8 G 25 0.092 -18.467 -10.163 269 H1 G 25 H1 G 25 3.386 -16.200 -5.207 270 1H2 G 25 1H2 G 25 5.073 -17.554 -4.730 271 2H2 G 25 2H2 G 25 5.388 -19.020 -5.632 272 1H5* G 26 2H5* G 26 0.822 -24.662 -7.589 273 2H5* G 26 1H5* G 26 -0.649 -25.027 -6.669 274 H4* G 26 H4* G 26 1.494 -24.455 -5.334 275 H3* G 26 H3* G 26 -1.242 -23.207 -4.914 276 H2* G 26 H2* G 26 -0.375 -21.817 -3.252 277 2HO* G 26 HO2* G 26 1.832 -23.613 -2.977 278 H1* G 26 H1* G 26 2.314 -21.712 -4.180 279 H8 G 26 H8 G 26 -0.292 -20.491 -6.617 280 H1 G 26 H1 G 26 1.335 -16.087 -2.308 281 1H2 G 26 1H2 G 26 2.574 -17.004 -0.718 282 2H2 G 26 2H2 G 26 2.998 -18.700 -0.717 283 1H5* U 27 2H5* U 27 1.170 -24.759 -0.966 284 2H5* U 27 1H5* U 27 -0.209 -25.502 -0.133 285 H4* U 27 H4* U 27 1.128 -24.153 1.429 286 H3* U 27 H3* U 27 -1.676 -23.225 0.732 287 H2* U 27 H2* U 27 -1.427 -21.392 2.227 288 2HO* U 27 HO2* U 27 0.524 -23.057 3.333 289 H1* U 27 H1* U 27 1.126 -20.712 1.548 290 H3 U 27 H3 U 27 -1.270 -17.380 -0.295 291 H5 U 27 H5 U 27 -2.194 -20.717 -2.703 292 H6 U 27 H6 U 27 -0.932 -22.098 -1.156 293 1H5* A 28 2H5* A 28 -0.899 -22.005 4.750 294 2H5* A 28 1H5* A 28 -2.142 -22.857 5.684 295 H4* A 28 H4* A 28 -2.184 -20.481 6.245 296 H3* A 28 H3* A 28 -4.483 -21.762 4.804 297 H2* A 28 H2* A 28 -5.449 -19.771 4.175 298 2HO* A 28 HO2* A 28 -4.573 -17.954 5.929 299 H1* A 28 H1* A 28 -3.253 -17.987 4.598 300 H8 A 28 H8 A 28 -3.425 -20.672 1.859 301 1H6 A 28 1H6 A 28 -5.277 -16.107 -1.852 302 2H6 A 28 2H6 A 28 -4.817 -17.793 -1.782 303 H2 A 28 H2 A 28 -4.988 -14.482 2.316 304 1H5* U 29 2H5* U 29 -5.047 -19.013 8.704 305 2H5* U 29 1H5* U 29 -6.633 -19.361 9.420 306 H4* U 29 H4* U 29 -6.152 -16.918 9.303 307 H3* U 29 H3* U 29 -8.466 -18.106 7.735 308 H2* U 29 H2* U 29 -9.049 -15.919 7.006 309 2HO* U 29 HO2* U 29 -7.148 -14.954 8.912 310 H1* U 29 H1* U 29 -6.539 -15.048 6.440 311 H3 U 29 H3 U 29 -8.547 -15.722 2.416 312 H5 U 29 H5 U 29 -7.504 -19.583 3.729 313 H6 U 29 H6 U 29 -6.853 -18.621 5.856 314 1H5* C 30 2H5* C 30 -9.547 -14.340 9.203 315 2H5* C 30 1H5* C 30 -11.227 -14.391 9.771 316 H4* C 30 H4* C 30 -10.762 -12.718 7.915 317 H3* C 30 H3* C 30 -12.826 -14.936 7.583 318 H2* C 30 H2* C 30 -13.412 -13.957 5.511 319 2HO* C 30 HO2* C 30 -12.509 -11.672 6.777 320 H1* C 30 H1* C 30 -10.840 -13.154 4.784 321 1H4 C 30 1H4 C 30 -12.350 -18.260 1.287 322 2H4 C 30 2H4 C 30 -11.874 -19.310 2.602 323 H5 C 30 H5 C 30 -11.219 -18.495 4.770 324 H6 C 30 H6 C 30 -10.886 -16.499 6.147 325 1H5* U 31 2H5* U 31 -14.301 -11.702 5.682 326 2H5* U 31 1H5* U 31 -15.906 -11.337 6.340 327 H4* U 31 H4* U 31 -16.185 -11.566 3.975 328 H3* U 31 H3* U 31 -17.060 -14.054 5.502 329 H2* U 31 H2* U 31 -17.725 -14.990 3.466 330 2HO* U 31 HO2* U 31 -17.931 -13.494 1.563 331 H1* U 31 H1* U 31 -15.811 -13.681 1.831 332 H3 U 31 H3 U 31 -15.292 -18.065 0.864 333 H5 U 31 H5 U 31 -14.107 -17.784 4.891 334 H6 U 31 H6 U 31 -14.787 -15.460 4.867 335 1H5* C 32 2H5* C 32 -19.758 -12.124 2.556 336 2H5* C 32 1H5* C 32 -21.437 -12.134 3.135 337 H4* C 32 H4* C 32 -21.317 -12.811 0.765 338 H3* C 32 H3* C 32 -22.065 -14.921 2.810 339 H2* C 32 H2* C 32 -22.425 -16.449 1.085 340 2HO* C 32 HO2* C 32 -22.284 -15.300 -1.203 341 H1* C 32 H1* C 32 -20.413 -15.476 -0.632 342 1H4 C 32 1H4 C 32 -18.270 -21.014 1.650 343 2H4 C 32 2H4 C 32 -17.934 -20.272 3.198 344 H5 C 32 H5 C 32 -18.515 -17.992 3.728 345 H6 C 32 H6 C 32 -19.545 -15.942 2.886 346 H3T C 32 H3T C 32 -23.331 -12.902 2.216 347 1H GLY 364 1HT GLY 364 -10.995 7.136 -19.076 348 2H GLY 364 2HT GLY 364 -12.389 7.957 -19.569 349 3H GLY 364 3HT GLY 364 -12.044 7.790 -17.922 350 1HA GLY 364 1HA GLY 364 -10.609 9.442 -19.916 351 2HA GLY 364 2HA GLY 364 -11.487 10.001 -18.501 352 H SER 365 H SER 365 -8.522 9.830 -19.620 353 HA SER 365 HA SER 365 -6.414 9.563 -18.765 354 1HB SER 365 2HB SER 365 -6.697 11.569 -17.655 355 2HB SER 365 1HB SER 365 -8.027 10.959 -16.672 356 HG SER 365 HG SER 365 -6.582 10.663 -15.189 357 H LEU 366 H LEU 366 -6.917 7.150 -18.892 358 HA LEU 366 HA LEU 366 -7.390 5.761 -16.439 359 1HB LEU 366 2HB LEU 366 -6.301 3.864 -18.044 360 2HB LEU 366 1HB LEU 366 -8.000 4.292 -18.016 361 HG LEU 366 HG LEU 366 -6.160 5.743 -19.874 362 1HD1 LEU 366 1HD1 LEU 366 -7.520 3.235 -20.753 363 2HD1 LEU 366 2HD1 LEU 366 -5.926 3.158 -20.004 364 3HD1 LEU 366 3HD1 LEU 366 -6.162 4.093 -21.481 365 1HD2 LEU 366 1HD2 LEU 366 -8.074 6.615 -20.577 366 2HD2 LEU 366 2HD2 LEU 366 -8.926 5.715 -19.322 367 3HD2 LEU 366 3HD2 LEU 366 -8.710 5.008 -20.924 368 H ASP 367 H ASP 367 -5.633 3.761 -16.216 369 HA ASP 367 HA ASP 367 -3.562 4.691 -14.713 370 1HB ASP 367 2HB ASP 367 -3.111 2.304 -16.495 371 2HB ASP 367 1HB ASP 367 -2.557 2.563 -14.847 372 H MET 368 H MET 368 -2.960 3.416 -17.958 373 HA MET 368 HA MET 368 -0.515 4.289 -18.522 374 1HB MET 368 2HB MET 368 -1.303 4.757 -20.901 375 2HB MET 368 1HB MET 368 -1.647 3.160 -20.252 376 1HG MET 368 2HG MET 368 -3.922 3.656 -19.950 377 2HG MET 368 1HG MET 368 -3.654 5.385 -20.165 378 1HE MET 368 1HE MET 368 -2.995 5.779 -23.916 379 2HE MET 368 2HE MET 368 -2.233 6.107 -22.359 380 3HE MET 368 3HE MET 368 -3.913 6.574 -22.636 381 H ASN 369 H ASN 369 -3.398 6.362 -18.599 382 HA ASN 369 HA ASN 369 -2.065 8.704 -19.459 383 1HB ASN 369 2HB ASN 369 -4.701 8.052 -18.287 384 2HB ASN 369 1HB ASN 369 -4.131 9.693 -17.997 385 1HD2 ASN 369 1HD2 ASN 369 -5.352 7.462 -20.292 386 2HD2 ASN 369 2HD2 ASN 369 -5.453 8.552 -21.630 387 H ALA 370 H ALA 370 -2.980 7.538 -16.233 388 HA ALA 370 HA ALA 370 -1.952 9.622 -14.720 389 1HB ALA 370 1HB ALA 370 -1.430 7.334 -13.219 390 2HB ALA 370 2HB ALA 370 -2.815 6.910 -14.225 391 3HB ALA 370 3HB ALA 370 -2.890 8.324 -13.173 392 H LYS 371 H LYS 371 -0.291 6.478 -14.782 393 HA LYS 371 HA LYS 371 2.145 7.098 -13.955 394 1HB LYS 371 2HB LYS 371 2.784 5.611 -16.238 395 2HB LYS 371 1HB LYS 371 2.455 4.994 -14.626 396 1HG LYS 371 2HG LYS 371 0.301 4.384 -15.148 397 2HG LYS 371 1HG LYS 371 0.183 5.538 -16.479 398 1HD LYS 371 2HD LYS 371 1.230 4.146 -17.957 399 2HD LYS 371 1HD LYS 371 2.206 3.377 -16.708 400 1HE LYS 371 2HE LYS 371 -0.716 2.904 -17.281 401 2HE LYS 371 1HE LYS 371 0.616 1.781 -17.551 402 1HZ LYS 371 1HZ LYS 371 -0.545 2.666 -14.983 403 2HZ LYS 371 2HZ LYS 371 0.997 1.974 -15.058 404 3HZ LYS 371 3HZ LYS 371 -0.353 1.090 -15.567 405 H ARG 372 H ARG 372 1.156 7.634 -17.336 406 HA ARG 372 HA ARG 372 3.499 8.730 -18.310 407 1HB ARG 372 2HB ARG 372 0.987 8.342 -19.313 408 2HB ARG 372 1HB ARG 372 1.057 10.096 -19.224 409 1HG ARG 372 2HG ARG 372 3.465 8.953 -20.381 410 2HG ARG 372 1HG ARG 372 2.003 8.520 -21.275 411 1HD ARG 372 2HD ARG 372 1.476 10.734 -21.741 412 2HD ARG 372 1HD ARG 372 2.471 11.352 -20.424 413 HE ARG 372 HE ARG 372 3.996 10.034 -22.463 414 1HH1 ARG 372 1HH1 ARG 372 2.485 13.033 -21.532 415 2HH1 ARG 372 2HH1 ARG 372 3.537 14.012 -22.498 416 1HH2 ARG 372 1HH2 ARG 372 5.389 11.320 -23.735 417 2HH2 ARG 372 2HH2 ARG 372 5.188 13.040 -23.749 418 H GLN 373 H GLN 373 0.829 10.355 -16.637 419 HA GLN 373 HA GLN 373 1.800 12.965 -16.807 420 1HB GLN 373 2HB GLN 373 -0.385 11.703 -15.609 421 2HB GLN 373 1HB GLN 373 0.476 12.451 -14.267 422 1HG GLN 373 2HG GLN 373 -0.756 13.749 -16.669 423 2HG GLN 373 1HG GLN 373 -1.035 14.079 -14.960 424 1HE2 GLN 373 1HE2 GLN 373 1.484 14.332 -13.997 425 2HE2 GLN 373 2HE2 GLN 373 2.267 15.693 -14.717 426 H LEU 374 H LEU 374 2.170 10.595 -14.199 427 HA LEU 374 HA LEU 374 3.668 12.095 -12.456 428 1HB LEU 374 2HB LEU 374 4.259 9.188 -12.804 429 2HB LEU 374 1HB LEU 374 4.149 10.129 -11.328 430 HG LEU 374 HG LEU 374 1.949 8.960 -12.983 431 1HD1 LEU 374 1HD1 LEU 374 2.919 8.817 -10.181 432 2HD1 LEU 374 2HD1 LEU 374 2.347 7.536 -11.249 433 3HD1 LEU 374 3HD1 LEU 374 1.192 8.620 -10.475 434 1HD2 LEU 374 1HD2 LEU 374 0.930 10.978 -12.865 435 2HD2 LEU 374 2HD2 LEU 374 1.904 11.514 -11.496 436 3HD2 LEU 374 3HD2 LEU 374 0.545 10.419 -11.239 437 H TYR 375 H TYR 375 5.227 9.509 -14.359 438 HA TYR 375 HA TYR 375 7.759 10.848 -14.045 439 1HB TYR 375 2HB TYR 375 6.889 8.227 -15.194 440 2HB TYR 375 1HB TYR 375 8.511 8.831 -15.513 441 HD1 TYR 375 HD1 TYR 375 10.126 7.915 -14.162 442 HD2 TYR 375 HD2 TYR 375 6.257 8.594 -12.526 443 HE1 TYR 375 HE1 TYR 375 10.886 7.011 -12.004 444 HE2 TYR 375 HE2 TYR 375 7.008 7.694 -10.363 445 HH TYR 375 HH TYR 375 9.454 7.499 -9.198 446 H SER 376 H SER 376 5.512 10.369 -16.730 447 HA SER 376 HA SER 376 7.429 11.309 -18.662 448 1HB SER 376 2HB SER 376 5.258 9.718 -18.886 449 2HB SER 376 1HB SER 376 4.579 11.252 -19.432 450 HG SER 376 HG SER 376 6.407 11.366 -20.891 451 H LEU 377 H LEU 377 5.215 12.894 -16.556 452 HA LEU 377 HA LEU 377 5.472 15.319 -18.214 453 1HB LEU 377 2HB LEU 377 3.168 14.151 -16.838 454 2HB LEU 377 1HB LEU 377 3.373 15.867 -16.557 455 HG LEU 377 HG LEU 377 1.920 14.975 -18.567 456 1HD1 LEU 377 1HD1 LEU 377 1.979 17.258 -18.335 457 2HD1 LEU 377 2HD1 LEU 377 2.814 17.055 -19.875 458 3HD1 LEU 377 3HD1 LEU 377 3.740 17.329 -18.399 459 1HD2 LEU 377 1HD2 LEU 377 4.608 15.201 -19.895 460 2HD2 LEU 377 2HD2 LEU 377 3.077 14.686 -20.603 461 3HD2 LEU 377 3HD2 LEU 377 3.898 13.654 -19.432 462 H ILE 378 H ILE 378 5.900 13.932 -15.056 463 HA ILE 378 HA ILE 378 6.868 16.556 -14.128 464 HB ILE 378 HB ILE 378 5.668 14.442 -12.341 465 1HG1 ILE 378 2HG1 ILE 378 3.974 15.337 -13.893 466 2HG1 ILE 378 1HG1 ILE 378 3.679 15.871 -12.241 467 1HG2 ILE 378 1HG2 ILE 378 5.802 17.281 -11.553 468 2HG2 ILE 378 2HG2 ILE 378 7.348 16.435 -11.661 469 3HG2 ILE 378 3HG2 ILE 378 6.078 15.823 -10.600 470 1HD1 ILE 378 1HD1 ILE 378 4.236 18.047 -12.703 471 2HD1 ILE 378 2HD1 ILE 378 3.490 17.544 -14.220 472 3HD1 ILE 378 3HD1 ILE 378 5.246 17.610 -14.081 473 H GLY 379 H GLY 379 7.101 13.150 -13.058 474 1HA GLY 379 2HA GLY 379 9.608 13.370 -11.865 475 2HA GLY 379 1HA GLY 379 8.922 11.874 -12.485 476 H TYR 380 H TYR 380 10.759 14.743 -13.399 477 HA TYR 380 HA TYR 380 11.458 13.925 -15.983 478 1HB TYR 380 2HB TYR 380 13.524 15.470 -15.531 479 2HB TYR 380 1HB TYR 380 11.911 16.163 -15.639 480 HD1 TYR 380 HD1 TYR 380 14.799 15.611 -13.536 481 HD2 TYR 380 HD2 TYR 380 10.726 16.840 -13.539 482 HE1 TYR 380 HE1 TYR 380 15.116 16.647 -11.329 483 HE2 TYR 380 HE2 TYR 380 11.031 17.877 -11.330 484 HH TYR 380 HH TYR 380 12.803 18.743 -9.929 485 H ALA 381 H ALA 381 13.045 13.340 -12.873 486 HA ALA 381 HA ALA 381 14.007 10.885 -13.191 487 1HB ALA 381 1HB ALA 381 15.248 10.899 -15.061 488 2HB ALA 381 2HB ALA 381 16.488 11.597 -14.018 489 3HB ALA 381 3HB ALA 381 15.483 12.647 -15.017 490 H SER 382 H SER 382 14.587 14.078 -12.127 491 HA SER 382 HA SER 382 16.120 13.047 -9.837 492 1HB SER 382 2HB SER 382 16.686 15.370 -11.610 493 2HB SER 382 1HB SER 382 16.999 15.579 -9.887 494 HG SER 382 HG SER 382 18.801 14.593 -10.326 495 H LEU 383 H LEU 383 13.327 13.258 -9.933 496 HA LEU 383 HA LEU 383 12.693 15.669 -8.396 497 1HB LEU 383 2HB LEU 383 11.330 14.421 -10.403 498 2HB LEU 383 1HB LEU 383 10.540 13.756 -8.987 499 HG LEU 383 HG LEU 383 10.896 16.720 -9.278 500 1HD1 LEU 383 1HD1 LEU 383 9.769 16.404 -11.252 501 2HD1 LEU 383 2HD1 LEU 383 8.426 16.536 -10.116 502 3HD1 LEU 383 3HD1 LEU 383 8.951 14.949 -10.680 503 1HD2 LEU 383 1HD2 LEU 383 9.834 16.713 -7.332 504 2HD2 LEU 383 2HD2 LEU 383 9.715 14.954 -7.377 505 3HD2 LEU 383 3HD2 LEU 383 8.447 15.942 -8.103 506 H ARG 384 H ARG 384 12.733 12.160 -8.165 507 HA ARG 384 HA ARG 384 12.877 10.807 -6.324 508 1HB ARG 384 2HB ARG 384 13.891 13.090 -5.338 509 2HB ARG 384 1HB ARG 384 12.431 12.988 -4.363 510 1HG ARG 384 2HG ARG 384 13.361 11.476 -3.045 511 2HG ARG 384 1HG ARG 384 13.729 10.437 -4.424 512 1HD ARG 384 2HD ARG 384 15.678 12.143 -4.801 513 2HD ARG 384 1HD ARG 384 15.422 12.505 -3.094 514 HE ARG 384 HE ARG 384 16.330 10.466 -2.554 515 1HH1 ARG 384 1HH1 ARG 384 15.642 10.561 -5.968 516 2HH1 ARG 384 2HH1 ARG 384 16.509 9.103 -6.314 517 1HH2 ARG 384 1HH2 ARG 384 17.483 8.552 -3.002 518 2HH2 ARG 384 2HH2 ARG 384 17.557 7.961 -4.628 519 H LEU 385 H LEU 385 10.513 11.006 -7.618 520 HA LEU 385 HA LEU 385 8.401 11.479 -5.681 521 1HB LEU 385 2HB LEU 385 8.189 12.178 -8.071 522 2HB LEU 385 1HB LEU 385 8.200 10.485 -8.524 523 HG LEU 385 HG LEU 385 6.151 11.361 -6.554 524 1HD1 LEU 385 1HD1 LEU 385 6.047 11.998 -9.498 525 2HD1 LEU 385 2HD1 LEU 385 6.003 13.144 -8.158 526 3HD1 LEU 385 3HD1 LEU 385 4.655 12.036 -8.414 527 1HD2 LEU 385 1HD2 LEU 385 5.391 9.327 -7.005 528 2HD2 LEU 385 2HD2 LEU 385 6.710 9.085 -8.152 529 3HD2 LEU 385 3HD2 LEU 385 5.180 9.771 -8.699 530 H HIS 386 H HIS 386 7.072 9.918 -4.823 531 HA HIS 386 HA HIS 386 7.265 7.169 -5.606 532 1HB HIS 386 2HB HIS 386 8.257 6.275 -3.586 533 2HB HIS 386 1HB HIS 386 9.368 7.406 -4.351 534 HD1 HIS 386 HD1 HIS 386 10.228 9.271 -2.928 535 HD2 HIS 386 HD2 HIS 386 6.924 7.393 -1.248 536 HE1 HIS 386 HE1 HIS 386 9.992 10.257 -0.627 537 HE2 HIS 386 HE2 HIS 386 8.018 9.068 0.392 538 H TYR 387 H TYR 387 5.603 5.978 -4.969 539 HA TYR 387 HA TYR 387 3.579 7.265 -3.296 540 1HB TYR 387 2HB TYR 387 3.463 4.994 -5.277 541 2HB TYR 387 1HB TYR 387 2.127 5.365 -4.189 542 HD1 TYR 387 HD1 TYR 387 0.460 6.713 -5.002 543 HD2 TYR 387 HD2 TYR 387 4.387 7.137 -6.564 544 HE1 TYR 387 HE1 TYR 387 -0.358 8.416 -6.564 545 HE2 TYR 387 HE2 TYR 387 3.593 8.838 -8.135 546 HH TYR 387 HH TYR 387 1.821 9.935 -8.933 547 H VAL 388 H VAL 388 2.779 6.302 -1.451 548 HA VAL 388 HA VAL 388 4.186 3.859 -0.601 549 HB VAL 388 HB VAL 388 3.349 5.177 1.740 550 1HG1 VAL 388 1HG1 VAL 388 5.680 5.102 2.263 551 2HG1 VAL 388 2HG1 VAL 388 6.127 5.094 0.554 552 3HG1 VAL 388 3HG1 VAL 388 5.324 3.690 1.263 553 1HG2 VAL 388 1HG2 VAL 388 5.077 7.088 0.206 554 2HG2 VAL 388 2HG2 VAL 388 4.101 7.364 1.648 555 3HG2 VAL 388 3HG2 VAL 388 3.321 7.190 0.078 556 H THR 389 H THR 389 2.881 2.200 -0.404 557 HA THR 389 HA THR 389 0.065 2.381 -0.381 558 HB THR 389 HB THR 389 1.910 0.145 0.459 559 HG1 THR 389 HG1 THR 389 1.180 -0.773 -1.516 560 1HG2 THR 389 1HG2 THR 389 -1.087 0.023 0.137 561 2HG2 THR 389 2HG2 THR 389 -0.233 0.001 1.679 562 3HG2 THR 389 3HG2 THR 389 -0.019 -1.324 0.533 563 H VAL 390 H VAL 390 -0.391 3.932 1.173 564 HA VAL 390 HA VAL 390 0.411 3.524 3.895 565 HB VAL 390 HB VAL 390 0.446 5.750 3.235 566 1HG1 VAL 390 1HG1 VAL 390 -2.107 6.531 2.487 567 2HG1 VAL 390 2HG1 VAL 390 -1.810 5.017 1.639 568 3HG1 VAL 390 3HG1 VAL 390 -0.688 6.358 1.458 569 1HG2 VAL 390 1HG2 VAL 390 -1.190 6.906 4.583 570 2HG2 VAL 390 2HG2 VAL 390 -0.521 5.508 5.431 571 3HG2 VAL 390 3HG2 VAL 390 -2.139 5.424 4.725 572 H LYS 391 H LYS 391 -0.712 2.675 5.506 573 HA LYS 391 HA LYS 391 -2.541 1.984 6.746 574 1HB LYS 391 2HB LYS 391 -3.958 3.457 5.250 575 2HB LYS 391 1HB LYS 391 -4.180 2.049 4.221 576 1HG LYS 391 2HG LYS 391 -4.911 2.130 7.137 577 2HG LYS 391 1HG LYS 391 -6.039 2.454 5.817 578 1HD LYS 391 2HD LYS 391 -5.043 0.114 4.977 579 2HD LYS 391 1HD LYS 391 -4.847 -0.100 6.717 580 1HE LYS 391 2HE LYS 391 -7.432 0.760 5.437 581 2HE LYS 391 1HE LYS 391 -7.024 -0.926 5.750 582 1HZ LYS 391 1HZ LYS 391 -6.568 0.493 8.100 583 2HZ LYS 391 2HZ LYS 391 -7.768 -0.661 7.803 584 3HZ LYS 391 3HZ LYS 391 -8.084 0.978 7.525 585 H LYS 392 H LYS 392 -2.807 -0.107 7.302 586 HA LYS 392 HA LYS 392 -1.849 -2.130 5.467 587 1HB LYS 392 2HB LYS 392 -2.782 -2.381 8.328 588 2HB LYS 392 1HB LYS 392 -1.978 -3.639 7.398 589 1HG LYS 392 2HG LYS 392 -0.849 -1.087 8.476 590 2HG LYS 392 1HG LYS 392 -0.286 -2.742 8.712 591 1HD LYS 392 2HD LYS 392 -0.238 -1.312 6.058 592 2HD LYS 392 1HD LYS 392 1.128 -1.359 7.174 593 1HE LYS 392 2HE LYS 392 -0.002 -3.992 6.634 594 2HE LYS 392 1HE LYS 392 0.600 -3.187 5.186 595 1HZ LYS 392 1HZ LYS 392 2.086 -3.937 7.624 596 2HZ LYS 392 2HZ LYS 392 2.678 -2.751 6.573 597 3HZ LYS 392 3HZ LYS 392 2.428 -4.328 6.015 598 HA PRO 393 HA PRO 393 -6.020 -3.188 4.234 599 1HB PRO 393 2HB PRO 393 -4.860 -5.344 2.683 600 2HB PRO 393 1HB PRO 393 -5.616 -3.856 2.119 601 1HG PRO 393 2HG PRO 393 -2.950 -4.381 1.876 602 2HG PRO 393 1HG PRO 393 -3.622 -2.746 1.980 603 1HD PRO 393 2HD PRO 393 -2.296 -4.394 4.094 604 2HD PRO 393 1HD PRO 393 -2.176 -2.650 3.773 605 H THR 394 H THR 394 -7.420 -5.035 4.232 606 HA THR 394 HA THR 394 -6.664 -7.026 6.269 607 HB THR 394 HB THR 394 -8.766 -7.004 7.123 608 HG1 THR 394 HG1 THR 394 -10.582 -7.025 5.932 609 1HG2 THR 394 1HG2 THR 394 -9.859 -4.724 6.800 610 2HG2 THR 394 2HG2 THR 394 -8.521 -4.364 5.709 611 3HG2 THR 394 3HG2 THR 394 -8.202 -4.738 7.403 612 H ALA 395 H ALA 395 -8.882 -8.774 5.758 613 HA ALA 395 HA ALA 395 -7.759 -10.219 3.498 614 1HB ALA 395 1HB ALA 395 -8.433 -11.182 5.840 615 2HB ALA 395 2HB ALA 395 -8.647 -12.139 4.373 616 3HB ALA 395 3HB ALA 395 -10.026 -11.307 5.093 617 H VAL 396 H VAL 396 -10.966 -9.045 4.523 618 HA VAL 396 HA VAL 396 -11.846 -9.319 1.739 619 HB VAL 396 HB VAL 396 -14.195 -9.112 2.777 620 1HG1 VAL 396 1HG1 VAL 396 -12.474 -11.342 2.346 621 2HG1 VAL 396 2HG1 VAL 396 -14.227 -11.251 2.188 622 3HG1 VAL 396 3HG1 VAL 396 -13.503 -11.679 3.737 623 1HG2 VAL 396 1HG2 VAL 396 -14.481 -9.637 5.051 624 2HG2 VAL 396 2HG2 VAL 396 -13.191 -8.434 5.019 625 3HG2 VAL 396 3HG2 VAL 396 -12.800 -10.141 5.233 626 H ASP 397 H ASP 397 -11.021 -7.231 4.139 627 HA ASP 397 HA ASP 397 -12.366 -4.975 2.839 628 1HB ASP 397 2HB ASP 397 -11.742 -5.538 5.696 629 2HB ASP 397 1HB ASP 397 -11.703 -3.860 5.160 630 HA PRO 398 HA PRO 398 -7.539 -5.022 2.388 631 1HB PRO 398 2HB PRO 398 -8.246 -4.378 -0.363 632 2HB PRO 398 1HB PRO 398 -7.158 -5.620 0.250 633 1HG PRO 398 2HG PRO 398 -9.779 -5.970 -0.762 634 2HG PRO 398 1HG PRO 398 -8.738 -7.192 -0.024 635 1HD PRO 398 2HD PRO 398 -11.131 -6.092 1.028 636 2HD PRO 398 1HD PRO 398 -10.016 -7.209 1.831 637 H ASN 399 H ASN 399 -10.290 -3.069 1.575 638 HA ASN 399 HA ASN 399 -9.728 -0.767 0.564 639 1HB ASN 399 2HB ASN 399 -11.353 -1.506 2.733 640 2HB ASN 399 1HB ASN 399 -10.551 -0.015 3.203 641 1HD2 ASN 399 1HD2 ASN 399 -12.514 -1.519 0.708 642 2HD2 ASN 399 2HD2 ASN 399 -13.246 -0.062 0.144 643 H SER 400 H SER 400 -7.534 -0.382 0.364 644 HA SER 400 HA SER 400 -6.235 0.702 2.769 645 1HB SER 400 2HB SER 400 -5.018 -1.254 2.127 646 2HB SER 400 1HB SER 400 -5.052 -0.797 0.421 647 HG SER 400 HG SER 400 -3.527 0.291 2.526 648 H ILE 401 H ILE 401 -4.700 2.451 2.350 649 HA ILE 401 HA ILE 401 -5.577 4.065 0.065 650 HB ILE 401 HB ILE 401 -6.205 5.097 2.148 651 1HG1 ILE 401 2HG1 ILE 401 -3.768 6.586 1.183 652 2HG1 ILE 401 1HG1 ILE 401 -5.239 6.476 0.225 653 1HG2 ILE 401 1HG2 ILE 401 -4.589 3.966 3.577 654 2HG2 ILE 401 2HG2 ILE 401 -4.596 5.708 3.851 655 3HG2 ILE 401 3HG2 ILE 401 -3.306 4.967 2.907 656 1HD1 ILE 401 1HD1 ILE 401 -6.222 7.322 2.602 657 2HD1 ILE 401 2HD1 ILE 401 -5.778 8.374 1.258 658 3HD1 ILE 401 3HD1 ILE 401 -4.640 8.100 2.576 659 H VAL 402 H VAL 402 -3.987 5.552 -0.806 660 HA VAL 402 HA VAL 402 -1.248 4.472 -0.691 661 HB VAL 402 HB VAL 402 -2.117 5.910 -3.139 662 1HG1 VAL 402 1HG1 VAL 402 -0.491 3.424 -2.628 663 2HG1 VAL 402 2HG1 VAL 402 0.128 5.040 -2.964 664 3HG1 VAL 402 3HG1 VAL 402 -0.757 4.158 -4.210 665 1HG2 VAL 402 1HG2 VAL 402 -3.406 3.423 -2.184 666 2HG2 VAL 402 2HG2 VAL 402 -2.900 3.452 -3.873 667 3HG2 VAL 402 3HG2 VAL 402 -4.016 4.676 -3.266 668 H GLU 403 H GLU 403 0.445 5.983 -0.597 669 HA GLU 403 HA GLU 403 -0.441 8.749 -0.137 670 1HB GLU 403 2HB GLU 403 1.489 7.001 1.170 671 2HB GLU 403 1HB GLU 403 2.202 8.539 0.698 672 1HG GLU 403 2HG GLU 403 -0.239 9.224 1.824 673 2HG GLU 403 1HG GLU 403 0.381 7.934 2.853 674 H CYS 404 H CYS 404 0.035 10.158 -1.698 675 HA CYS 404 HA CYS 404 2.097 9.448 -3.671 676 1HB CYS 404 2HB CYS 404 0.210 11.752 -4.026 677 2HB CYS 404 1HB CYS 404 0.957 10.727 -5.247 678 HG CYS 404 HG CYS 404 -1.355 9.817 -5.275 679 H ARG 405 H ARG 405 4.041 10.223 -3.003 680 HA ARG 405 HA ARG 405 4.131 13.072 -2.310 681 1HB ARG 405 2HB ARG 405 5.678 12.610 -0.469 682 2HB ARG 405 1HB ARG 405 4.121 11.828 -0.217 683 1HG ARG 405 2HG ARG 405 5.402 9.822 -1.425 684 2HG ARG 405 1HG ARG 405 6.785 10.644 -0.699 685 1HD ARG 405 2HD ARG 405 4.417 9.388 0.635 686 2HD ARG 405 1HD ARG 405 6.133 9.123 0.936 687 HE ARG 405 HE ARG 405 5.254 11.796 1.522 688 1HH1 ARG 405 1HH1 ARG 405 5.592 8.555 2.742 689 2HH1 ARG 405 2HH1 ARG 405 5.636 9.043 4.403 690 1HH2 ARG 405 1HH2 ARG 405 5.311 12.456 3.704 691 2HH2 ARG 405 2HH2 ARG 405 5.475 11.264 4.951 692 H VAL 406 H VAL 406 6.580 13.656 -1.960 693 HA VAL 406 HA VAL 406 8.306 12.379 -3.924 694 HB VAL 406 HB VAL 406 8.732 14.975 -4.615 695 1HG1 VAL 406 1HG1 VAL 406 6.988 12.839 -5.788 696 2HG1 VAL 406 2HG1 VAL 406 8.643 13.269 -6.218 697 3HG1 VAL 406 3HG1 VAL 406 7.314 14.351 -6.638 698 1HG2 VAL 406 1HG2 VAL 406 6.788 16.204 -4.748 699 2HG2 VAL 406 2HG2 VAL 406 6.554 15.370 -3.212 700 3HG2 VAL 406 3HG2 VAL 406 5.757 14.775 -4.669 701 H GLY 407 H GLY 407 10.444 12.597 -3.483 702 1HA GLY 407 2HA GLY 407 12.299 12.990 -2.179 703 2HA GLY 407 1HA GLY 407 11.649 14.612 -1.962 704 H ASP 408 H ASP 408 9.563 12.095 -1.042 705 HA ASP 408 HA ASP 408 8.672 11.480 0.948 706 1HB ASP 408 2HB ASP 408 10.161 10.674 2.630 707 2HB ASP 408 1HB ASP 408 10.928 10.355 1.080 708 H GLY 409 H GLY 409 8.718 14.262 0.290 709 1HA GLY 409 2HA GLY 409 8.422 15.330 3.007 710 2HA GLY 409 1HA GLY 409 9.375 16.225 1.837 711 H THR 410 H THR 410 7.474 15.421 -0.364 712 HA THR 410 HA THR 410 5.274 17.234 0.386 713 HB THR 410 HB THR 410 6.711 17.011 -2.259 714 HG1 THR 410 HG1 THR 410 7.472 18.985 -1.786 715 1HG2 THR 410 1HG2 THR 410 3.994 17.676 -1.780 716 2HG2 THR 410 2HG2 THR 410 4.896 17.764 -3.293 717 3HG2 THR 410 3HG2 THR 410 4.849 19.156 -2.214 718 H VAL 411 H VAL 411 3.455 16.102 0.570 719 HA VAL 411 HA VAL 411 2.979 13.718 -1.034 720 HB VAL 411 HB VAL 411 1.339 15.045 1.124 721 1HG1 VAL 411 1HG1 VAL 411 -0.267 14.067 -0.296 722 2HG1 VAL 411 2HG1 VAL 411 0.000 12.880 0.979 723 3HG1 VAL 411 3HG1 VAL 411 0.744 12.656 -0.603 724 1HG2 VAL 411 1HG2 VAL 411 2.139 13.465 2.572 725 2HG2 VAL 411 2HG2 VAL 411 3.538 13.635 1.512 726 3HG2 VAL 411 3HG2 VAL 411 2.427 12.283 1.295 727 H LEU 412 H LEU 412 2.249 13.993 -3.049 728 HA LEU 412 HA LEU 412 0.962 16.356 -3.946 729 1HB LEU 412 2HB LEU 412 0.944 13.645 -5.275 730 2HB LEU 412 1HB LEU 412 0.650 15.195 -6.046 731 HG LEU 412 HG LEU 412 2.808 14.967 -6.684 732 1HD1 LEU 412 1HD1 LEU 412 4.126 16.400 -5.519 733 2HD1 LEU 412 2HD1 LEU 412 3.776 15.640 -3.967 734 3HD1 LEU 412 3HD1 LEU 412 2.602 16.733 -4.700 735 1HD2 LEU 412 1HD2 LEU 412 4.185 13.712 -4.528 736 2HD2 LEU 412 2HD2 LEU 412 3.897 13.109 -6.161 737 3HD2 LEU 412 3HD2 LEU 412 2.722 12.794 -4.884 738 H GLY 413 H GLY 413 -0.179 13.181 -2.875 739 1HA GLY 413 2HA GLY 413 -2.680 14.186 -2.066 740 2HA GLY 413 1HA GLY 413 -2.855 13.439 -3.648 741 H THR 414 H THR 414 -4.070 11.710 -3.041 742 HA THR 414 HA THR 414 -2.757 9.415 -2.088 743 HB THR 414 HB THR 414 -2.926 10.568 0.092 744 HG1 THR 414 HG1 THR 414 -3.528 8.762 1.132 745 1HG2 THR 414 1HG2 THR 414 -5.126 11.712 -0.572 746 2HG2 THR 414 2HG2 THR 414 -4.945 11.163 1.095 747 3HG2 THR 414 3HG2 THR 414 -5.899 10.216 -0.047 748 H GLY 415 H GLY 415 -4.402 7.592 -1.633 749 1HA GLY 415 2HA GLY 415 -7.058 8.010 -2.696 750 2HA GLY 415 1HA GLY 415 -5.998 7.127 -3.784 751 H VAL 416 H VAL 416 -8.463 6.304 -2.322 752 HA VAL 416 HA VAL 416 -7.320 4.000 -0.866 753 HB VAL 416 HB VAL 416 -9.887 5.498 -0.332 754 1HG1 VAL 416 1HG1 VAL 416 -10.393 3.143 -0.207 755 2HG1 VAL 416 2HG1 VAL 416 -10.307 3.805 1.426 756 3HG1 VAL 416 3HG1 VAL 416 -8.966 2.854 0.789 757 1HG2 VAL 416 1HG2 VAL 416 -8.747 6.505 1.281 758 2HG2 VAL 416 2HG2 VAL 416 -7.284 5.685 0.736 759 3HG2 VAL 416 3HG2 VAL 416 -8.300 4.945 1.972 760 H GLY 417 H GLY 417 -8.476 2.006 -1.066 761 1HA GLY 417 2HA GLY 417 -10.631 1.776 -2.952 762 2HA GLY 417 1HA GLY 417 -9.098 1.232 -3.603 763 H ARG 418 H ARG 418 -11.693 -0.142 -2.834 764 HA ARG 418 HA ARG 418 -11.215 -1.816 -0.613 765 1HB ARG 418 2HB ARG 418 -12.887 -3.354 -1.974 766 2HB ARG 418 1HB ARG 418 -13.426 -1.887 -1.172 767 1HG ARG 418 2HG ARG 418 -12.523 -1.383 -3.881 768 2HG ARG 418 1HG ARG 418 -13.832 -2.560 -3.810 769 1HD ARG 418 2HD ARG 418 -15.313 -0.956 -3.419 770 2HD ARG 418 1HD ARG 418 -14.400 -0.413 -2.012 771 HE ARG 418 HE ARG 418 -13.505 1.285 -3.280 772 1HH1 ARG 418 1HH1 ARG 418 -15.136 -1.000 -5.337 773 2HH1 ARG 418 2HH1 ARG 418 -15.073 0.016 -6.739 774 1HH2 ARG 418 1HH2 ARG 418 -13.417 2.638 -5.117 775 2HH2 ARG 418 2HH2 ARG 418 -14.092 2.086 -6.614 776 H ASN 419 H ASN 419 -10.511 -2.218 -4.052 777 HA ASN 419 HA ASN 419 -9.087 -4.709 -3.454 778 1HB ASN 419 2HB ASN 419 -9.259 -5.281 -5.737 779 2HB ASN 419 1HB ASN 419 -10.825 -4.589 -5.337 780 1HD2 ASN 419 1HD2 ASN 419 -11.564 -2.982 -6.546 781 2HD2 ASN 419 2HD2 ASN 419 -10.645 -2.113 -7.723 782 H ILE 420 H ILE 420 -8.222 -2.103 -2.739 783 HA ILE 420 HA ILE 420 -6.492 -0.656 -2.769 784 HB ILE 420 HB ILE 420 -4.474 -1.596 -2.388 785 1HG1 ILE 420 2HG1 ILE 420 -3.961 -3.959 -3.447 786 2HG1 ILE 420 1HG1 ILE 420 -5.128 -3.428 -4.651 787 1HG2 ILE 420 1HG2 ILE 420 -6.114 -2.631 -0.946 788 2HG2 ILE 420 2HG2 ILE 420 -4.847 -3.795 -1.334 789 3HG2 ILE 420 3HG2 ILE 420 -6.412 -3.892 -2.142 790 1HD1 ILE 420 1HD1 ILE 420 -3.593 -1.258 -4.604 791 2HD1 ILE 420 2HD1 ILE 420 -3.242 -2.653 -5.626 792 3HD1 ILE 420 3HD1 ILE 420 -2.399 -2.451 -4.091 793 H LYS 421 H LYS 421 -6.281 -2.583 -5.815 794 HA LYS 421 HA LYS 421 -4.459 -1.017 -7.137 795 1HB LYS 421 2HB LYS 421 -4.998 -2.690 -8.547 796 2HB LYS 421 1HB LYS 421 -6.640 -2.807 -7.941 797 1HG LYS 421 2HG LYS 421 -5.786 -0.605 -9.788 798 2HG LYS 421 1HG LYS 421 -6.320 -2.179 -10.383 799 1HD LYS 421 2HD LYS 421 -8.277 -1.553 -8.586 800 2HD LYS 421 1HD LYS 421 -7.861 0.028 -9.247 801 1HE LYS 421 2HE LYS 421 -7.961 -1.469 -11.506 802 2HE LYS 421 1HE LYS 421 -9.181 -2.273 -10.520 803 1HZ LYS 421 1HZ LYS 421 -9.183 0.661 -10.825 804 2HZ LYS 421 2HZ LYS 421 -10.463 -0.363 -10.409 805 3HZ LYS 421 3HZ LYS 421 -9.891 -0.327 -12.001 806 H ILE 422 H ILE 422 -7.957 -0.525 -6.867 807 HA ILE 422 HA ILE 422 -8.232 1.817 -8.312 808 HB ILE 422 HB ILE 422 -9.603 2.079 -5.753 809 1HG1 ILE 422 2HG1 ILE 422 -11.144 0.084 -6.275 810 2HG1 ILE 422 1HG1 ILE 422 -9.791 -0.537 -7.219 811 1HG2 ILE 422 1HG2 ILE 422 -10.244 3.219 -7.820 812 2HG2 ILE 422 2HG2 ILE 422 -11.564 2.253 -7.153 813 3HG2 ILE 422 3HG2 ILE 422 -10.651 1.661 -8.542 814 1HD1 ILE 422 1HD1 ILE 422 -8.528 0.040 -4.927 815 2HD1 ILE 422 2HD1 ILE 422 -9.258 -1.522 -5.278 816 3HD1 ILE 422 3HD1 ILE 422 -10.137 -0.339 -4.313 817 H ALA 423 H ALA 423 -6.954 1.212 -5.106 818 HA ALA 423 HA ALA 423 -6.528 3.931 -4.380 819 1HB ALA 423 1HB ALA 423 -6.301 1.524 -3.083 820 2HB ALA 423 2HB ALA 423 -5.766 3.081 -2.449 821 3HB ALA 423 3HB ALA 423 -4.617 2.020 -3.266 822 H GLY 424 H GLY 424 -4.536 1.447 -5.933 823 1HA GLY 424 2HA GLY 424 -2.161 2.964 -6.119 824 2HA GLY 424 1HA GLY 424 -2.583 1.594 -7.137 825 H ILE 425 H ILE 425 -4.341 2.141 -8.822 826 HA ILE 425 HA ILE 425 -3.335 3.936 -10.655 827 HB ILE 425 HB ILE 425 -6.287 3.404 -10.496 828 1HG1 ILE 425 2HG1 ILE 425 -5.410 1.236 -10.133 829 2HG1 ILE 425 1HG1 ILE 425 -5.727 1.316 -11.863 830 1HG2 ILE 425 1HG2 ILE 425 -4.954 3.152 -13.055 831 2HG2 ILE 425 2HG2 ILE 425 -4.687 4.729 -12.316 832 3HG2 ILE 425 3HG2 ILE 425 -6.330 4.151 -12.593 833 1HD1 ILE 425 1HD1 ILE 425 -3.418 0.450 -10.740 834 2HD1 ILE 425 2HD1 ILE 425 -3.026 2.133 -11.092 835 3HD1 ILE 425 3HD1 ILE 425 -3.570 1.066 -12.385 836 H ARG 426 H ARG 426 -6.242 4.501 -8.638 837 HA ARG 426 HA ARG 426 -6.684 7.118 -9.340 838 1HB ARG 426 2HB ARG 426 -8.148 7.246 -7.586 839 2HB ARG 426 1HB ARG 426 -7.970 5.504 -7.692 840 1HG ARG 426 2HG ARG 426 -6.808 5.368 -5.724 841 2HG ARG 426 1HG ARG 426 -6.154 6.997 -5.864 842 1HD ARG 426 2HD ARG 426 -8.215 6.262 -4.236 843 2HD ARG 426 1HD ARG 426 -7.860 7.907 -4.764 844 HE ARG 426 HE ARG 426 -9.720 7.845 -6.107 845 1HH1 ARG 426 1HH1 ARG 426 -8.962 4.624 -5.026 846 2HH1 ARG 426 2HH1 ARG 426 -10.417 3.928 -5.659 847 1HH2 ARG 426 1HH2 ARG 426 -11.639 6.939 -6.952 848 2HH2 ARG 426 2HH2 ARG 426 -11.939 5.244 -6.754 849 H ALA 427 H ALA 427 -4.483 5.884 -6.835 850 HA ALA 427 HA ALA 427 -3.645 8.229 -5.690 851 1HB ALA 427 1HB ALA 427 -1.865 5.908 -6.434 852 2HB ALA 427 2HB ALA 427 -2.848 6.023 -4.975 853 3HB ALA 427 3HB ALA 427 -1.513 7.147 -5.229 854 H ALA 428 H ALA 428 -2.329 6.716 -8.638 855 HA ALA 428 HA ALA 428 -0.436 8.636 -9.281 856 1HB ALA 428 1HB ALA 428 -0.766 6.465 -10.474 857 2HB ALA 428 2HB ALA 428 -0.530 7.849 -11.541 858 3HB ALA 428 3HB ALA 428 -2.146 7.189 -11.299 859 H GLU 429 H GLU 429 -3.853 8.488 -10.260 860 HA GLU 429 HA GLU 429 -3.941 10.875 -11.704 861 1HB GLU 429 2HB GLU 429 -6.106 9.575 -10.039 862 2HB GLU 429 1HB GLU 429 -6.378 10.870 -11.195 863 1HG GLU 429 2HG GLU 429 -5.376 9.332 -12.939 864 2HG GLU 429 1HG GLU 429 -5.510 8.050 -11.736 865 H ASN 430 H ASN 430 -4.082 10.246 -8.263 866 HA ASN 430 HA ASN 430 -4.961 12.751 -7.374 867 1HB ASN 430 2HB ASN 430 -3.878 10.358 -6.214 868 2HB ASN 430 1HB ASN 430 -3.091 11.760 -5.492 869 1HD2 ASN 430 1HD2 ASN 430 -6.316 10.647 -6.446 870 2HD2 ASN 430 2HD2 ASN 430 -7.129 11.273 -5.058 871 H ALA 431 H ALA 431 -1.713 11.548 -8.149 872 HA ALA 431 HA ALA 431 -0.301 13.826 -7.272 873 1HB ALA 431 1HB ALA 431 1.353 12.927 -9.151 874 2HB ALA 431 2HB ALA 431 0.312 11.510 -9.021 875 3HB ALA 431 3HB ALA 431 1.162 12.114 -7.598 876 H LEU 432 H LEU 432 -1.691 12.924 -10.372 877 HA LEU 432 HA LEU 432 -0.859 15.410 -11.611 878 1HB LEU 432 2HB LEU 432 -2.324 14.505 -13.520 879 2HB LEU 432 1HB LEU 432 -0.831 13.668 -13.143 880 HG LEU 432 HG LEU 432 -3.001 12.523 -11.639 881 1HD1 LEU 432 1HD1 LEU 432 -3.385 12.764 -14.614 882 2HD1 LEU 432 2HD1 LEU 432 -4.500 13.250 -13.337 883 3HD1 LEU 432 3HD1 LEU 432 -4.176 11.539 -13.622 884 1HD2 LEU 432 1HD2 LEU 432 -2.214 10.482 -12.703 885 2HD2 LEU 432 2HD2 LEU 432 -0.856 11.449 -12.122 886 3HD2 LEU 432 3HD2 LEU 432 -1.257 11.432 -13.840 887 H ARG 433 H ARG 433 -3.050 14.851 -9.359 888 HA ARG 433 HA ARG 433 -5.260 16.331 -10.575 889 1HB ARG 433 2HB ARG 433 -4.975 14.451 -8.375 890 2HB ARG 433 1HB ARG 433 -5.898 15.873 -7.909 891 1HG ARG 433 2HG ARG 433 -7.211 15.458 -10.080 892 2HG ARG 433 1HG ARG 433 -6.497 13.847 -10.018 893 1HD ARG 433 2HD ARG 433 -7.421 13.549 -7.755 894 2HD ARG 433 1HD ARG 433 -8.172 15.139 -7.866 895 HE ARG 433 HE ARG 433 -8.950 13.483 -10.037 896 1HH1 ARG 433 1HH1 ARG 433 -9.510 14.058 -6.648 897 2HH1 ARG 433 2HH1 ARG 433 -11.119 13.420 -6.673 898 1HH2 ARG 433 1HH2 ARG 433 -11.071 12.642 -10.082 899 2HH2 ARG 433 2HH2 ARG 433 -12.008 12.617 -8.625 900 H ASP 434 H ASP 434 -2.499 17.319 -9.612 901 HA ASP 434 HA ASP 434 -3.543 19.629 -8.109 902 1HB ASP 434 2HB ASP 434 -0.870 18.254 -7.763 903 2HB ASP 434 1HB ASP 434 -1.324 19.767 -6.985 904 H LYS 435 H LYS 435 -3.818 20.568 -10.252 905 HA LYS 435 HA LYS 435 -1.932 20.946 -12.190 906 1HB LYS 435 2HB LYS 435 -3.262 22.631 -13.026 907 2HB LYS 435 1HB LYS 435 -4.401 21.797 -11.980 908 1HG LYS 435 2HG LYS 435 -4.075 23.457 -10.249 909 2HG LYS 435 1HG LYS 435 -2.858 24.272 -11.235 910 1HD LYS 435 2HD LYS 435 -4.805 25.519 -11.584 911 2HD LYS 435 1HD LYS 435 -4.705 24.473 -13.002 912 1HE LYS 435 2HE LYS 435 -6.449 23.135 -12.305 913 2HE LYS 435 1HE LYS 435 -6.235 23.561 -10.608 914 1HZ LYS 435 1HZ LYS 435 -8.136 24.575 -12.211 915 2HZ LYS 435 2HZ LYS 435 -6.950 25.776 -12.314 916 3HZ LYS 435 3HZ LYS 435 -7.568 25.329 -10.805 917 H LYS 436 H LYS 436 -2.455 23.103 -9.396 918 HA LYS 436 HA LYS 436 -0.383 24.885 -9.910 919 1HB LYS 436 2HB LYS 436 -1.270 23.997 -7.164 920 2HB LYS 436 1HB LYS 436 -0.536 25.536 -7.599 921 1HG LYS 436 2HG LYS 436 -2.825 25.273 -9.203 922 2HG LYS 436 1HG LYS 436 -3.295 24.787 -7.574 923 1HD LYS 436 2HD LYS 436 -2.909 26.862 -6.697 924 2HD LYS 436 1HD LYS 436 -1.650 27.244 -7.875 925 1HE LYS 436 2HE LYS 436 -3.121 28.090 -9.362 926 2HE LYS 436 1HE LYS 436 -4.351 26.884 -8.985 927 1HZ LYS 436 1HZ LYS 436 -4.167 29.546 -8.086 928 2HZ LYS 436 2HZ LYS 436 -4.083 28.515 -6.749 929 3HZ LYS 436 3HZ LYS 436 -5.398 28.420 -7.807 930 H MET 437 H MET 437 -0.350 21.796 -8.205 931 HA MET 437 HA MET 437 2.382 21.964 -7.397 932 1HB MET 437 2HB MET 437 0.897 20.528 -6.166 933 2HB MET 437 1HB MET 437 0.466 19.643 -7.622 934 1HG MET 437 2HG MET 437 3.177 19.327 -7.539 935 2HG MET 437 1HG MET 437 2.740 19.315 -5.831 936 1HE MET 437 1HE MET 437 3.743 16.785 -8.222 937 2HE MET 437 2HE MET 437 2.615 17.706 -9.217 938 3HE MET 437 3HE MET 437 2.277 16.018 -8.832 939 H LEU 438 H LEU 438 0.673 20.303 -10.025 940 HA LEU 438 HA LEU 438 2.870 19.029 -11.189 941 1HB LEU 438 2HB LEU 438 0.300 20.078 -12.355 942 2HB LEU 438 1HB LEU 438 1.481 19.214 -13.321 943 HG LEU 438 HG LEU 438 0.135 18.069 -10.873 944 1HD1 LEU 438 1HD1 LEU 438 -1.630 17.589 -12.114 945 2HD1 LEU 438 2HD1 LEU 438 -0.606 16.775 -13.297 946 3HD1 LEU 438 3HD1 LEU 438 -0.930 18.504 -13.450 947 1HD2 LEU 438 1HD2 LEU 438 2.176 16.953 -11.194 948 2HD2 LEU 438 2HD2 LEU 438 2.003 16.964 -12.948 949 3HD2 LEU 438 3HD2 LEU 438 0.969 15.926 -11.967 950 H ASP 439 H ASP 439 1.302 22.038 -12.261 951 HA ASP 439 HA ASP 439 3.225 22.828 -14.100 952 1HB ASP 439 2HB ASP 439 0.950 23.865 -13.770 953 2HB ASP 439 1HB ASP 439 1.603 24.703 -12.365 954 H PHE 440 H PHE 440 3.111 23.147 -10.629 955 HA PHE 440 HA PHE 440 5.163 25.023 -10.265 956 1HB PHE 440 2HB PHE 440 4.003 24.603 -8.306 957 2HB PHE 440 1HB PHE 440 3.957 22.866 -8.579 958 HD1 PHE 440 HD1 PHE 440 6.120 25.667 -7.519 959 HD2 PHE 440 HD2 PHE 440 5.589 21.447 -7.664 960 HE1 PHE 440 HE1 PHE 440 8.011 25.380 -5.969 961 HE2 PHE 440 HE2 PHE 440 7.477 21.151 -6.114 962 HZ PHE 440 HZ PHE 440 8.691 23.120 -5.264 963 H TYR 441 H TYR 441 5.202 21.544 -10.748 964 HA TYR 441 HA TYR 441 8.061 21.334 -10.430 965 1HB TYR 441 2HB TYR 441 5.905 19.407 -11.287 966 2HB TYR 441 1HB TYR 441 7.615 18.985 -11.365 967 HD1 TYR 441 HD1 TYR 441 8.965 19.372 -9.163 968 HD2 TYR 441 HD2 TYR 441 4.735 18.983 -9.332 969 HE1 TYR 441 HE1 TYR 441 8.937 18.774 -6.784 970 HE2 TYR 441 HE2 TYR 441 4.688 18.378 -6.950 971 HH TYR 441 HH TYR 441 7.688 18.036 -5.083 972 H ALA 442 H ALA 442 5.794 21.888 -12.996 973 HA ALA 442 HA ALA 442 7.382 21.176 -15.207 974 1HB ALA 442 1HB ALA 442 5.206 23.240 -14.896 975 2HB ALA 442 2HB ALA 442 5.088 21.636 -15.619 976 3HB ALA 442 3HB ALA 442 5.997 22.905 -16.436 977 H LYS 443 H LYS 443 6.940 24.294 -13.558 978 HA LYS 443 HA LYS 443 8.896 25.725 -14.988 979 1HB LYS 443 2HB LYS 443 7.243 26.854 -13.582 980 2HB LYS 443 1HB LYS 443 7.898 26.075 -12.149 981 1HG LYS 443 2HG LYS 443 9.982 27.481 -13.519 982 2HG LYS 443 1HG LYS 443 8.608 28.554 -13.240 983 1HD LYS 443 2HD LYS 443 8.616 27.828 -10.854 984 2HD LYS 443 1HD LYS 443 10.098 26.928 -11.182 985 1HE LYS 443 2HE LYS 443 10.930 28.914 -10.354 986 2HE LYS 443 1HE LYS 443 10.959 29.209 -12.091 987 1HZ LYS 443 1HZ LYS 443 10.038 31.094 -10.926 988 2HZ LYS 443 2HZ LYS 443 8.857 30.124 -10.204 989 3HZ LYS 443 3HZ LYS 443 8.839 30.373 -11.876 990 H GLN 444 H GLN 444 8.985 23.918 -11.951 991 HA GLN 444 HA GLN 444 11.687 24.284 -11.321 992 1HB GLN 444 2HB GLN 444 9.486 22.528 -10.506 993 2HB GLN 444 1HB GLN 444 11.064 21.772 -10.355 994 1HG GLN 444 2HG GLN 444 11.081 24.464 -9.323 995 2HG GLN 444 1HG GLN 444 9.841 23.478 -8.551 996 1HE2 GLN 444 1HE2 GLN 444 12.754 22.139 -9.878 997 2HE2 GLN 444 2HE2 GLN 444 13.477 21.697 -8.376 998 H ARG 445 H ARG 445 10.181 22.514 -13.803 999 HA ARG 445 HA ARG 445 12.234 20.534 -14.156 1000 1HB ARG 445 2HB ARG 445 9.619 20.815 -15.016 1001 2HB ARG 445 1HB ARG 445 10.550 21.097 -16.481 1002 1HG ARG 445 2HG ARG 445 10.838 18.684 -14.705 1003 2HG ARG 445 1HG ARG 445 9.871 18.745 -16.181 1004 1HD ARG 445 2HD ARG 445 12.589 19.707 -16.574 1005 2HD ARG 445 1HD ARG 445 12.537 18.044 -15.995 1006 HE ARG 445 HE ARG 445 11.495 17.400 -17.971 1007 1HH1 ARG 445 1HH1 ARG 445 11.926 20.858 -17.867 1008 2HH1 ARG 445 2HH1 ARG 445 11.610 21.075 -19.555 1009 1HH2 ARG 445 1HH2 ARG 445 11.072 17.680 -20.191 1010 2HH2 ARG 445 2HH2 ARG 445 11.125 19.270 -20.877 1011 H ALA 446 H ALA 446 11.236 23.491 -15.838 1012 HA ALA 446 HA ALA 446 13.467 23.410 -17.646 1013 1HB ALA 446 1HB ALA 446 12.732 25.686 -18.295 1014 2HB ALA 446 2HB ALA 446 11.520 25.630 -17.015 1015 3HB ALA 446 3HB ALA 446 11.431 24.498 -18.365 1016 H ALA 447 H ALA 447 12.740 24.788 -14.553 1017 HA ALA 447 HA ALA 447 14.935 26.604 -14.447 1018 1HB ALA 447 1HB ALA 447 12.918 25.610 -12.503 1019 2HB ALA 447 2HB ALA 447 13.319 27.260 -12.974 1020 3HB ALA 447 3HB ALA 447 14.381 26.373 -11.879 1021 H ILE 448 H ILE 448 14.430 23.965 -12.122 1022 HA ILE 448 HA ILE 448 16.098 22.930 -10.878 1023 HB ILE 448 HB ILE 448 17.306 21.320 -12.680 1024 1HG1 ILE 448 2HG1 ILE 448 14.635 21.709 -13.955 1025 2HG1 ILE 448 1HG1 ILE 448 15.957 22.770 -14.428 1026 1HG2 ILE 448 1HG2 ILE 448 16.154 20.142 -11.139 1027 2HG2 ILE 448 2HG2 ILE 448 14.961 20.027 -12.433 1028 3HG2 ILE 448 3HG2 ILE 448 14.778 21.245 -11.169 1029 1HD1 ILE 448 1HD1 ILE 448 15.706 20.835 -15.917 1030 2HD1 ILE 448 2HD1 ILE 448 16.030 19.765 -14.553 1031 3HD1 ILE 448 3HD1 ILE 448 17.279 20.874 -15.120 1032 HA PRO 449 HA PRO 449 19.748 25.446 -11.789 1033 1HB PRO 449 2HB PRO 449 20.349 26.006 -9.245 1034 2HB PRO 449 1HB PRO 449 19.011 26.812 -10.073 1035 1HG PRO 449 2HG PRO 449 18.932 24.508 -8.162 1036 2HG PRO 449 1HG PRO 449 17.904 25.951 -8.212 1037 1HD PRO 449 2HD PRO 449 17.167 23.534 -9.255 1038 2HD PRO 449 1HD PRO 449 16.565 25.089 -9.862 1039 H ARG 450 H ARG 450 19.282 22.429 -10.347 1040 HA ARG 450 HA ARG 450 20.700 20.634 -10.188 1041 1HB ARG 450 2HB ARG 450 22.023 22.150 -11.975 1042 2HB ARG 450 1HB ARG 450 23.170 22.212 -10.645 1043 1HG ARG 450 2HG ARG 450 22.097 19.705 -11.921 1044 2HG ARG 450 1HG ARG 450 23.687 20.414 -12.210 1045 1HD ARG 450 2HD ARG 450 24.462 19.858 -10.101 1046 2HD ARG 450 1HD ARG 450 22.839 19.746 -9.423 1047 HE ARG 450 HE ARG 450 22.875 17.728 -11.210 1048 1HH1 ARG 450 1HH1 ARG 450 25.055 18.662 -8.658 1049 2HH1 ARG 450 2HH1 ARG 450 25.575 17.043 -8.334 1050 1HH2 ARG 450 1HH2 ARG 450 23.554 15.593 -10.794 1051 2HH2 ARG 450 2HH2 ARG 450 24.719 15.295 -9.547 1052 H SER 451 H SER 451 20.540 20.219 -8.054 1053 HA SER 451 HA SER 451 22.727 20.882 -6.356 1054 1HB SER 451 2HB SER 451 21.455 22.130 -4.647 1055 2HB SER 451 1HB SER 451 21.522 23.006 -6.177 1056 HG SER 451 HG SER 451 19.360 21.292 -5.686 1057 H GLU 452 H GLU 452 22.046 18.445 -6.977 1058 HA GLU 452 HA GLU 452 20.404 17.431 -4.754 1059 1HB GLU 452 2HB GLU 452 20.973 16.309 -7.490 1060 2HB GLU 452 1HB GLU 452 20.328 15.314 -6.191 1061 1HG GLU 452 2HG GLU 452 18.814 17.744 -6.451 1062 2HG GLU 452 1HG GLU 452 18.903 16.892 -7.992 1063 H SER 453 HN SER 453 23.420 18.113 -5.133 1064 HA SER 453 HA SER 453 25.059 15.948 -5.065 1065 1HB SER 453 2HB SER 453 26.485 17.623 -4.641 1066 2HB SER 453 1HB SER 453 25.172 18.654 -4.072 1067 HG SER 453 HG SER 453 26.903 17.002 -2.629 Start of MODEL 14 1 1H5* G 1 2H5* G 1 -17.654 -28.455 -4.896 2 2H5* G 1 1H5* G 1 -16.486 -27.634 -5.950 3 H4* G 1 H4* G 1 -18.673 -26.407 -5.685 4 H3* G 1 H3* G 1 -15.970 -25.256 -5.065 5 H2* G 1 H2* G 1 -16.807 -23.539 -3.781 6 2HO* G 1 HO2* G 1 -19.213 -23.101 -5.022 7 H1* G 1 H1* G 1 -19.611 -24.428 -3.732 8 H8 G 1 H8 G 1 -17.356 -26.049 -1.241 9 H1 G 1 H1 G 1 -19.212 -20.255 0.668 10 1H2 G 1 1H2 G 1 -20.215 -19.194 -1.002 11 2H2 G 1 2H2 G 1 -20.424 -19.914 -2.581 12 H5T G 1 H5T G 1 -16.406 -27.066 -3.219 13 1H5* G 2 2H5* G 2 -19.186 -22.548 -7.191 14 2H5* G 2 1H5* G 2 -18.293 -21.995 -8.622 15 H4* G 2 H4* G 2 -19.474 -20.071 -8.049 16 H3* G 2 H3* G 2 -16.786 -20.015 -6.625 17 H2* G 2 H2* G 2 -17.380 -17.899 -5.707 18 2HO* G 2 HO2* G 2 -19.856 -17.652 -6.926 19 H1* G 2 H1* G 2 -19.949 -18.539 -5.045 20 H8 G 2 H8 G 2 -17.938 -21.573 -4.310 21 H1 G 2 H1 G 2 -16.954 -16.987 0.001 22 1H2 G 2 1H2 G 2 -17.822 -15.080 -0.713 23 2H2 G 2 2H2 G 2 -18.646 -14.938 -2.250 24 1H5* G 3 2H5* G 3 -17.191 -15.855 -8.072 25 2H5* G 3 1H5* G 3 -15.561 -15.526 -8.688 26 H4* G 3 H4* G 3 -16.414 -13.985 -6.824 27 H3* G 3 H3* G 3 -13.780 -15.472 -6.827 28 H2* G 3 H2* G 3 -13.301 -14.796 -4.655 29 2HO* G 3 HO2* G 3 -14.922 -12.557 -5.320 30 H1* G 3 H1* G 3 -15.957 -14.356 -3.731 31 H8 G 3 H8 G 3 -15.436 -17.893 -4.774 32 H1 G 3 H1 G 3 -12.814 -16.655 0.909 33 1H2 G 3 1H2 G 3 -12.782 -14.469 1.265 34 2H2 G 3 2H2 G 3 -13.409 -13.317 0.107 35 1H5* A 4 2H5* A 4 -13.643 -10.771 -5.481 36 2H5* A 4 1H5* A 4 -12.132 -10.325 -6.297 37 H4* A 4 H4* A 4 -12.304 -9.534 -3.899 38 H3* A 4 H3* A 4 -10.071 -11.309 -4.917 39 H2* A 4 H2* A 4 -9.149 -11.489 -2.785 40 2HO* A 4 HO2* A 4 -9.333 -9.036 -2.655 41 H1* A 4 H1* A 4 -11.497 -11.187 -1.251 42 H8 A 4 H8 A 4 -11.473 -13.932 -3.883 43 1H6 A 4 1H6 A 4 -9.009 -17.577 0.410 44 2H6 A 4 2H6 A 4 -9.684 -17.514 -1.200 45 H2 A 4 H2 A 4 -9.137 -13.391 2.044 46 1H5* U 5 2H5* U 5 -8.565 -7.100 -2.757 47 2H5* U 5 1H5* U 5 -6.935 -6.966 -3.447 48 H4* U 5 H4* U 5 -7.099 -6.743 -0.905 49 H3* U 5 H3* U 5 -5.288 -8.705 -2.338 50 H2* U 5 H2* U 5 -4.474 -9.473 -0.237 51 2HO* U 5 HO2* U 5 -5.969 -7.597 1.239 52 H1* U 5 H1* U 5 -6.854 -9.623 1.051 53 H3 U 5 H3 U 5 -5.658 -13.909 0.173 54 H5 U 5 H5 U 5 -7.123 -12.461 -3.504 55 H6 U 5 H6 U 5 -7.256 -10.252 -2.507 56 1H5* A 6 2H5* A 6 -2.685 -7.046 0.875 57 2H5* A 6 1H5* A 6 -1.127 -6.869 0.046 58 H4* A 6 H4* A 6 -1.172 -8.427 2.085 59 H3* A 6 H3* A 6 -0.123 -9.161 -0.660 60 H2* A 6 H2* A 6 0.296 -11.350 0.026 61 2HO* A 6 HO2* A 6 1.307 -11.642 1.851 62 H1* A 6 H1* A 6 -1.665 -11.548 2.063 63 H8 A 6 H8 A 6 -3.106 -10.706 -1.308 64 1H6 A 6 1H6 A 6 -3.058 -16.729 -2.565 65 2H6 A 6 2H6 A 6 -3.614 -15.158 -3.093 66 H2 A 6 H2 A 6 -0.742 -16.079 1.234 67 1H5* C 7 2H5* C 7 2.514 -10.561 3.168 68 2H5* C 7 1H5* C 7 4.076 -9.960 2.574 69 H4* C 7 H4* C 7 4.295 -12.223 3.535 70 H3* C 7 H3* C 7 4.793 -11.747 0.592 71 H2* C 7 H2* C 7 5.167 -14.047 0.209 72 2HO* C 7 HO2* C 7 5.041 -14.845 2.879 73 H1* C 7 H1* C 7 3.222 -15.079 1.811 74 1H4 C 7 1H4 C 7 0.352 -14.809 -3.830 75 2H4 C 7 2H4 C 7 0.279 -13.063 -3.759 76 H5 C 7 H5 C 7 1.265 -11.771 -1.983 77 H6 C 7 H6 C 7 2.532 -11.874 0.115 78 1H5* C 8 2H5* C 8 7.505 -14.623 1.453 79 2H5* C 8 1H5* C 8 9.133 -14.075 1.002 80 H4* C 8 H4* C 8 8.719 -16.147 -0.166 81 H3* C 8 H3* C 8 8.652 -13.605 -1.791 82 H2* C 8 H2* C 8 7.796 -14.673 -3.645 83 2HO* C 8 HO2* C 8 9.834 -16.155 -3.300 84 H1* C 8 H1* C 8 6.854 -17.089 -2.365 85 1H4 C 8 1H4 C 8 1.954 -14.664 -5.610 86 2H4 C 8 2H4 C 8 2.018 -13.184 -4.681 87 H5 C 8 H5 C 8 3.681 -12.755 -2.999 88 H6 C 8 H6 C 8 5.635 -13.650 -1.833 89 1H5* A 9 2H5* A 9 11.299 -17.284 -3.691 90 2H5* A 9 1H5* A 9 12.532 -16.332 -4.543 91 H4* A 9 H4* A 9 11.572 -18.107 -5.987 92 H3* A 9 H3* A 9 11.106 -15.187 -6.689 93 H2* A 9 H2* A 9 9.943 -15.862 -8.639 94 2HO* A 9 HO2* A 9 11.572 -18.072 -8.369 95 H1* A 9 H1* A 9 8.634 -18.044 -7.555 96 H8 A 9 H8 A 9 8.802 -14.784 -5.529 97 1H6 A 9 1H6 A 9 3.400 -13.361 -8.092 98 2H6 A 9 2H6 A 9 4.595 -12.888 -6.909 99 H2 A 9 H2 A 9 4.896 -17.142 -10.014 100 1H5* U 10 2H5* U 10 11.559 -17.455 -10.092 101 2H5* U 10 1H5* U 10 12.584 -16.626 -11.279 102 H4* U 10 H4* U 10 10.244 -17.166 -12.088 103 H3* U 10 H3* U 10 11.509 -14.439 -12.095 104 H2* U 10 H2* U 10 9.507 -13.338 -12.380 105 2HO* U 10 HO2* U 10 8.578 -15.518 -13.968 106 H1* U 10 H1* U 10 7.737 -15.649 -11.992 107 H3 U 10 H3 U 10 5.118 -12.327 -10.421 108 H5 U 10 H5 U 10 8.547 -12.119 -8.012 109 H6 U 10 H6 U 10 9.560 -13.828 -9.393 110 1H5* G 11 2H5* G 11 9.641 -16.109 -16.450 111 2H5* G 11 1H5* G 11 10.224 -14.884 -17.592 112 H4* G 11 H4* G 11 7.695 -15.476 -17.617 113 H3* G 11 H3* G 11 8.908 -12.697 -17.565 114 H2* G 11 H2* G 11 6.782 -11.733 -17.449 115 2HO* G 11 HO2* G 11 5.400 -12.426 -18.878 116 H1* G 11 H1* G 11 5.432 -13.878 -16.163 117 H8 G 11 H8 G 11 8.271 -12.722 -14.061 118 H1 G 11 H1 G 11 3.327 -8.694 -13.814 119 1H2 G 11 1H2 G 11 1.871 -9.188 -15.409 120 2H2 G 11 2H2 G 11 2.119 -10.504 -16.535 121 1H5* U 12 2H5* U 12 5.551 -13.912 -20.543 122 2H5* U 12 1H5* U 12 5.641 -12.870 -21.977 123 H4* U 12 H4* U 12 3.344 -13.107 -20.817 124 H3* U 12 H3* U 12 4.702 -10.533 -21.642 125 H2* U 12 H2* U 12 2.982 -9.235 -20.679 126 2HO* U 12 HO2* U 12 1.274 -11.274 -19.936 127 H1* U 12 H1* U 12 2.526 -10.706 -18.425 128 H3 U 12 H3 U 12 4.423 -6.829 -17.026 129 H5 U 12 H5 U 12 7.655 -9.150 -18.425 130 H6 U 12 H6 U 12 6.048 -10.753 -19.281 131 1H5* U 13 2H5* U 13 0.259 -10.225 -21.824 132 2H5* U 13 1H5* U 13 -0.081 -9.392 -23.355 133 H4* U 13 H4* U 13 -0.999 -8.304 -21.209 134 H3* U 13 H3* U 13 0.611 -6.959 -23.375 135 H2* U 13 H2* U 13 0.979 -5.079 -22.098 136 2HO* U 13 HO2* U 13 -0.683 -4.162 -20.866 137 H1* U 13 H1* U 13 0.107 -6.161 -19.533 138 H3 U 13 H3 U 13 3.418 -3.274 -18.404 139 H5 U 13 H5 U 13 5.344 -6.145 -20.811 140 H6 U 13 H6 U 13 3.183 -7.153 -21.230 141 1H5* C 14 2H5* C 14 -3.105 -4.634 -21.868 142 2H5* C 14 1H5* C 14 -3.637 -3.562 -23.179 143 H4* C 14 H4* C 14 -3.115 -2.494 -20.871 144 H3* C 14 H3* C 14 -2.085 -1.546 -23.564 145 H2* C 14 H2* C 14 -0.851 0.150 -22.525 146 2HO* C 14 HO2* C 14 -3.030 0.232 -20.952 147 H1* C 14 H1* C 14 -0.384 -1.146 -20.050 148 1H4 C 14 1H4 C 14 5.169 -0.530 -23.118 149 2H4 C 14 2H4 C 14 4.804 -1.949 -24.073 150 H5 C 14 H5 C 14 2.698 -3.108 -23.963 151 H6 C 14 H6 C 14 0.485 -3.157 -22.916 152 1H5* A 15 2H5* A 15 -2.612 1.643 -25.836 153 2H5* A 15 1H5* A 15 -1.951 0.167 -25.101 154 H4* A 15 H4* A 15 -1.228 2.751 -23.788 155 H3* A 15 H3* A 15 -0.439 2.016 -26.616 156 H2* A 15 H2* A 15 1.815 2.566 -26.187 157 2HO* A 15 HO2* A 15 0.692 4.066 -24.063 158 H1* A 15 H1* A 15 2.000 1.599 -23.615 159 H8 A 15 H8 A 15 0.122 -0.976 -25.526 160 1H6 A 15 1H6 A 15 5.449 -2.818 -28.008 161 2H6 A 15 2H6 A 15 3.756 -3.206 -27.795 162 H2 A 15 H2 A 15 6.172 1.078 -25.885 163 1H5* G 16 2H5* G 16 1.135 4.996 -26.140 164 2H5* G 16 1H5* G 16 1.397 6.372 -27.230 165 H4* G 16 H4* G 16 3.443 5.031 -27.030 166 H3* G 16 H3* G 16 2.080 5.581 -29.554 167 H2* G 16 H2* G 16 2.161 3.389 -30.349 168 2HO* G 16 HO2* G 16 4.034 4.365 -31.356 169 H1* G 16 H1* G 16 4.366 2.663 -28.416 170 H8 G 16 H8 G 16 4.589 0.136 -28.833 171 H1 G 16 H1 G 16 -1.576 -0.600 -30.284 172 1H2 G 16 1H2 G 16 -2.620 1.357 -30.161 173 2H2 G 16 2H2 G 16 -1.796 2.836 -29.722 174 1H5* A 17 2H5* A 17 5.223 7.829 -28.757 175 2H5* A 17 1H5* A 17 6.763 7.529 -29.591 176 H4* A 17 H4* A 17 7.919 8.836 -28.153 177 H3* A 17 H3* A 17 6.692 7.037 -26.201 178 H2* A 17 H2* A 17 5.943 8.543 -24.605 179 2HO* A 17 HO2* A 17 7.685 10.605 -25.453 180 H1* A 17 H1* A 17 5.517 10.854 -25.978 181 H8 A 17 H8 A 17 4.558 7.155 -26.696 182 1H6 A 17 1H6 A 17 -1.262 8.988 -25.900 183 2H6 A 17 2H6 A 17 -0.220 7.623 -26.228 184 H2 A 17 H2 A 17 1.404 12.584 -25.465 185 1H5* A 18 2H5* A 18 11.051 8.836 -23.381 186 2H5* A 18 1H5* A 18 9.849 7.759 -24.117 187 H4* A 18 H4* A 18 9.354 9.850 -21.963 188 H3* A 18 H3* A 18 9.559 6.833 -22.012 189 H2* A 18 H2* A 18 7.722 6.619 -20.539 190 2HO* A 18 HO2* A 18 8.614 9.040 -19.678 191 H1* A 18 H1* A 18 6.117 8.570 -21.579 192 H8 A 18 H8 A 18 8.206 6.322 -23.929 193 1H6 A 18 1H6 A 18 3.143 2.851 -24.422 194 2H6 A 18 2H6 A 18 4.783 3.084 -24.988 195 H2 A 18 H2 A 18 2.330 6.088 -21.411 196 1H5* G 19 2H5* G 19 10.492 8.051 -17.914 197 2H5* G 19 1H5* G 19 11.118 6.726 -16.911 198 H4* G 19 H4* G 19 8.588 7.275 -16.755 199 H3* G 19 H3* G 19 9.811 4.529 -17.161 200 H2* G 19 H2* G 19 7.684 3.566 -17.302 201 2HO* G 19 HO2* G 19 5.926 5.346 -16.517 202 H1* G 19 H1* G 19 6.293 5.800 -18.354 203 H8 G 19 H8 G 19 9.238 4.785 -20.451 204 H1 G 19 H1 G 19 4.184 1.010 -21.364 205 1H2 G 19 1H2 G 19 2.631 1.450 -19.842 206 2H2 G 19 2H2 G 19 2.843 2.670 -18.609 207 1H5* A 20 2H5* A 20 6.930 5.726 -13.764 208 2H5* A 20 1H5* A 20 7.129 4.711 -12.323 209 H4* A 20 H4* A 20 4.730 5.182 -12.907 210 H3* A 20 H3* A 20 5.881 2.396 -12.720 211 H2* A 20 H2* A 20 3.830 1.422 -13.401 212 2HO* A 20 HO2* A 20 1.915 2.774 -13.594 213 H1* A 20 H1* A 20 3.229 3.101 -15.421 214 H8 A 20 H8 A 20 6.975 2.775 -15.378 215 1H6 A 20 1H6 A 20 6.313 -2.507 -18.470 216 2H6 A 20 2H6 A 20 7.452 -1.303 -17.917 217 H2 A 20 H2 A 20 2.253 -1.208 -17.062 218 1H5* A 21 2H5* A 21 1.765 2.397 -11.577 219 2H5* A 21 1H5* A 21 1.565 1.321 -10.181 220 H4* A 21 H4* A 21 0.238 0.759 -12.333 221 H3* A 21 H3* A 21 1.932 -1.148 -10.704 222 H2* A 21 H2* A 21 1.602 -2.864 -12.246 223 2HO* A 21 HO2* A 21 -0.622 -1.575 -13.440 224 H1* A 21 H1* A 21 1.150 -1.281 -14.562 225 H8 A 21 H8 A 21 4.501 -0.582 -13.060 226 1H6 A 21 1H6 A 21 6.627 -5.566 -15.976 227 2H6 A 21 2H6 A 21 7.066 -4.136 -15.070 228 H2 A 21 H2 A 21 2.143 -5.583 -16.278 229 1H5* C 22 2H5* C 22 -2.468 -2.402 -12.013 230 2H5* C 22 1H5* C 22 -2.994 -3.603 -10.817 231 H4* C 22 H4* C 22 -3.234 -4.242 -13.299 232 H3* C 22 H3* C 22 -1.909 -5.912 -11.148 233 H2* C 22 H2* C 22 -1.356 -7.579 -12.732 234 2HO* C 22 HO2* C 22 -2.428 -7.840 -14.612 235 H1* C 22 H1* C 22 -0.558 -5.968 -14.764 236 1H4 C 22 1H4 C 22 4.675 -7.446 -11.442 237 2H4 C 22 2H4 C 22 4.339 -6.151 -10.313 238 H5 C 22 H5 C 22 2.337 -4.816 -10.393 239 H6 C 22 H6 C 22 0.223 -4.434 -11.570 240 1H5* G 23 2H5* G 23 -4.202 -8.192 -14.323 241 2H5* G 23 1H5* G 23 -4.973 -9.549 -13.479 242 H4* G 23 H4* G 23 -3.447 -10.086 -15.510 243 H3* G 23 H3* G 23 -3.252 -11.414 -12.778 244 H2* G 23 H2* G 23 -1.553 -12.809 -13.648 245 2HO* G 23 HO2* G 23 -2.680 -12.083 -16.142 246 H1* G 23 H1* G 23 -0.346 -10.920 -15.291 247 H8 G 23 H8 G 23 -0.926 -9.484 -11.876 248 H1 G 23 H1 G 23 4.203 -13.260 -12.124 249 1H2 G 23 1H2 G 23 4.216 -14.396 -14.026 250 2H2 G 23 2H2 G 23 2.962 -14.225 -15.234 251 1H5* U 24 2H5* U 24 -2.366 -14.230 -15.579 252 2H5* U 24 1H5* U 24 -3.482 -15.598 -15.390 253 H4* U 24 H4* U 24 -1.245 -16.496 -15.345 254 H3* U 24 H3* U 24 -2.671 -16.336 -12.678 255 H2* U 24 H2* U 24 -0.772 -17.002 -11.542 256 2HO* U 24 HO2* U 24 -0.762 -18.982 -12.887 257 H1* U 24 H1* U 24 1.183 -16.310 -13.527 258 H3 U 24 H3 U 24 3.061 -14.818 -9.713 259 H5 U 24 H5 U 24 -0.544 -12.653 -9.955 260 H6 U 24 H6 U 24 -1.115 -13.945 -11.917 261 1H5* G 25 2H5* G 25 -0.923 -20.803 -13.630 262 2H5* G 25 1H5* G 25 -2.120 -21.766 -12.742 263 H4* G 25 H4* G 25 0.202 -22.437 -12.187 264 H3* G 25 H3* G 25 -1.497 -21.156 -10.007 265 H2* G 25 H2* G 25 0.281 -21.617 -8.482 266 2HO* G 25 HO2* G 25 1.523 -23.110 -10.581 267 H1* G 25 H1* G 25 2.306 -20.793 -10.112 268 H8 G 25 H8 G 25 -0.908 -18.727 -10.347 269 H1 G 25 H1 G 25 3.068 -16.794 -5.764 270 1H2 G 25 1H2 G 25 4.737 -18.239 -5.547 271 2H2 G 25 2H2 G 25 4.868 -19.678 -6.532 272 1H5* G 26 2H5* G 26 -0.591 -25.173 -8.004 273 2H5* G 26 1H5* G 26 -2.019 -25.328 -6.963 274 H4* G 26 H4* G 26 0.302 -25.100 -5.822 275 H3* G 26 H3* G 26 -2.190 -23.495 -5.152 276 H2* G 26 H2* G 26 -1.000 -22.313 -3.524 277 2HO* G 26 HO2* G 26 1.175 -24.106 -3.482 278 H1* G 26 H1* G 26 1.573 -22.499 -4.714 279 H8 G 26 H8 G 26 -0.993 -20.897 -6.943 280 H1 G 26 H1 G 26 1.322 -16.879 -2.569 281 1H2 G 26 1H2 G 26 2.505 -17.994 -1.068 282 2H2 G 26 2H2 G 26 2.725 -19.728 -1.142 283 1H5* U 27 2H5* U 27 0.043 -25.561 -1.397 284 2H5* U 27 1H5* U 27 -1.387 -26.109 -0.500 285 H4* U 27 H4* U 27 0.248 -25.010 0.993 286 H3* U 27 H3* U 27 -2.458 -23.716 0.527 287 H2* U 27 H2* U 27 -1.869 -21.964 2.019 288 2HO* U 27 HO2* U 27 0.201 -23.748 2.816 289 H1* U 27 H1* U 27 0.675 -21.571 1.148 290 H3 U 27 H3 U 27 -1.536 -17.981 -0.456 291 H5 U 27 H5 U 27 -2.874 -21.157 -2.887 292 H6 U 27 H6 U 27 -1.654 -22.683 -1.449 293 1H5* A 28 2H5* A 28 -1.084 -22.651 4.331 294 2H5* A 28 1H5* A 28 -2.249 -23.337 5.480 295 H4* A 28 H4* A 28 -1.884 -20.979 6.005 296 H3* A 28 H3* A 28 -4.555 -21.875 4.943 297 H2* A 28 H2* A 28 -5.310 -19.725 4.582 298 2HO* A 28 HO2* A 28 -3.491 -18.660 6.483 299 H1* A 28 H1* A 28 -2.845 -18.330 4.463 300 H8 A 28 H8 A 28 -3.790 -21.016 1.898 301 1H6 A 28 1H6 A 28 -5.909 -16.371 -1.553 302 2H6 A 28 2H6 A 28 -5.581 -18.089 -1.510 303 H2 A 28 H2 A 28 -4.728 -14.714 2.451 304 1H5* U 29 2H5* U 29 -4.392 -18.806 8.708 305 2H5* U 29 1H5* U 29 -5.850 -19.241 9.623 306 H4* U 29 H4* U 29 -5.636 -16.791 9.401 307 H3* U 29 H3* U 29 -7.929 -18.162 7.941 308 H2* U 29 H2* U 29 -8.719 -15.999 7.316 309 2HO* U 29 HO2* U 29 -6.856 -14.394 8.454 310 H1* U 29 H1* U 29 -6.294 -14.968 6.610 311 H3 U 29 H3 U 29 -8.530 -15.670 2.720 312 H5 U 29 H5 U 29 -7.282 -19.509 3.902 313 H6 U 29 H6 U 29 -6.506 -18.549 5.993 314 1H5* C 30 2H5* C 30 -9.265 -14.703 9.633 315 2H5* C 30 1H5* C 30 -10.984 -14.783 10.067 316 H4* C 30 H4* C 30 -10.274 -13.158 8.165 317 H3* C 30 H3* C 30 -12.530 -15.196 7.940 318 H2* C 30 H2* C 30 -13.011 -14.286 5.819 319 2HO* C 30 HO2* C 30 -11.294 -12.089 6.059 320 H1* C 30 H1* C 30 -10.368 -13.646 5.122 321 1H4 C 30 1H4 C 30 -12.381 -18.566 1.578 322 2H4 C 30 2H4 C 30 -11.724 -19.659 2.776 323 H5 C 30 H5 C 30 -10.818 -18.923 4.881 324 H6 C 30 H6 C 30 -10.352 -16.981 6.298 325 1H5* U 31 2H5* U 31 -13.615 -11.799 5.845 326 2H5* U 31 1H5* U 31 -15.156 -11.248 6.529 327 H4* U 31 H4* U 31 -15.343 -11.478 4.094 328 H3* U 31 H3* U 31 -16.910 -13.298 5.914 329 H2* U 31 H2* U 31 -17.489 -14.731 4.197 330 2HO* U 31 HO2* U 31 -18.500 -13.927 2.504 331 H1* U 31 H1* U 31 -15.618 -13.757 2.192 332 H3 U 31 H3 U 31 -15.748 -18.201 1.346 333 H5 U 31 H5 U 31 -14.107 -17.936 5.212 334 H6 U 31 H6 U 31 -14.561 -15.556 5.175 335 1H5* C 32 2H5* C 32 -19.564 -11.731 2.295 336 2H5* C 32 1H5* C 32 -21.108 -11.450 3.126 337 H4* C 32 H4* C 32 -21.485 -12.826 1.141 338 H3* C 32 H3* C 32 -21.709 -14.204 3.831 339 H2* C 32 H2* C 32 -22.257 -16.199 2.788 340 2HO* C 32 HO2* C 32 -23.309 -16.305 0.839 341 H1* C 32 H1* C 32 -20.864 -15.701 0.346 342 1H4 C 32 1H4 C 32 -17.857 -20.611 3.017 343 2H4 C 32 2H4 C 32 -17.488 -19.674 4.447 344 H5 C 32 H5 C 32 -18.223 -17.404 4.765 345 H6 C 32 H6 C 32 -19.469 -15.539 3.781 346 H3T C 32 H3T C 32 -23.314 -12.732 3.489 347 1H GLY 364 1HT GLY 364 -9.796 6.244 -23.132 348 2H GLY 364 2HT GLY 364 -10.622 5.251 -24.225 349 3H GLY 364 3HT GLY 364 -8.944 5.116 -24.064 350 1HA GLY 364 1HA GLY 364 -10.612 4.699 -21.691 351 2HA GLY 364 2HA GLY 364 -10.540 3.423 -22.897 352 H SER 365 H SER 365 -9.545 3.515 -20.115 353 HA SER 365 HA SER 365 -7.792 2.604 -18.978 354 1HB SER 365 2HB SER 365 -7.584 1.104 -20.973 355 2HB SER 365 1HB SER 365 -6.451 2.261 -21.670 356 HG SER 365 HG SER 365 -6.149 0.619 -19.403 357 H LEU 366 H LEU 366 -8.005 5.462 -19.795 358 HA LEU 366 HA LEU 366 -5.810 6.814 -20.485 359 1HB LEU 366 2HB LEU 366 -8.000 7.310 -18.699 360 2HB LEU 366 1HB LEU 366 -6.537 8.013 -18.041 361 HG LEU 366 HG LEU 366 -7.300 9.778 -19.243 362 1HD1 LEU 366 1HD1 LEU 366 -5.784 10.159 -20.870 363 2HD1 LEU 366 2HD1 LEU 366 -6.126 8.639 -21.697 364 3HD1 LEU 366 3HD1 LEU 366 -5.101 8.651 -20.262 365 1HD2 LEU 366 1HD2 LEU 366 -9.311 8.941 -20.103 366 2HD2 LEU 366 2HD2 LEU 366 -8.484 7.758 -21.118 367 3HD2 LEU 366 3HD2 LEU 366 -8.406 9.473 -21.520 368 H ASP 367 H ASP 367 -6.162 4.947 -17.550 369 HA ASP 367 HA ASP 367 -4.341 5.701 -15.814 370 1HB ASP 367 2HB ASP 367 -3.746 3.364 -15.348 371 2HB ASP 367 1HB ASP 367 -5.470 3.526 -15.667 372 H MET 368 H MET 368 -3.518 4.414 -18.985 373 HA MET 368 HA MET 368 -0.762 4.160 -18.712 374 1HB MET 368 2HB MET 368 -1.768 3.353 -20.712 375 2HB MET 368 1HB MET 368 -2.483 4.919 -21.071 376 1HG MET 368 2HG MET 368 0.267 5.372 -20.953 377 2HG MET 368 1HG MET 368 0.075 3.855 -21.829 378 1HE MET 368 1HE MET 368 -1.127 7.600 -21.622 379 2HE MET 368 2HE MET 368 -2.625 6.670 -21.715 380 3HE MET 368 3HE MET 368 -2.141 7.704 -23.061 381 H ASN 369 H ASN 369 -2.617 6.978 -19.879 382 HA ASN 369 HA ASN 369 -0.501 8.778 -20.087 383 1HB ASN 369 2HB ASN 369 -3.436 9.153 -19.495 384 2HB ASN 369 1HB ASN 369 -2.336 10.525 -19.565 385 1HD2 ASN 369 1HD2 ASN 369 -0.807 10.264 -21.608 386 2HD2 ASN 369 2HD2 ASN 369 -1.671 10.023 -23.083 387 H ALA 370 H ALA 370 -2.456 7.783 -17.344 388 HA ALA 370 HA ALA 370 -1.770 9.648 -15.441 389 1HB ALA 370 1HB ALA 370 -2.938 7.068 -15.434 390 2HB ALA 370 2HB ALA 370 -3.002 8.304 -14.178 391 3HB ALA 370 3HB ALA 370 -1.708 7.106 -14.170 392 H LYS 371 H LYS 371 -0.236 6.447 -15.316 393 HA LYS 371 HA LYS 371 1.950 7.062 -13.825 394 1HB LYS 371 2HB LYS 371 3.145 5.320 -15.457 395 2HB LYS 371 1HB LYS 371 1.922 4.824 -14.295 396 1HG LYS 371 2HG LYS 371 0.659 5.618 -16.739 397 2HG LYS 371 1HG LYS 371 1.924 4.433 -17.071 398 1HD LYS 371 2HD LYS 371 0.386 3.690 -14.741 399 2HD LYS 371 1HD LYS 371 -0.658 3.928 -16.143 400 1HE LYS 371 2HE LYS 371 1.103 2.485 -17.384 401 2HE LYS 371 1HE LYS 371 1.589 1.987 -15.765 402 1HZ LYS 371 1HZ LYS 371 -0.961 1.512 -17.156 403 2HZ LYS 371 2HZ LYS 371 -0.906 1.509 -15.466 404 3HZ LYS 371 3HZ LYS 371 0.034 0.410 -16.343 405 H ARG 372 H ARG 372 1.567 7.535 -17.293 406 HA ARG 372 HA ARG 372 4.125 8.393 -17.954 407 1HB ARG 372 2HB ARG 372 2.055 7.931 -19.450 408 2HB ARG 372 1HB ARG 372 1.667 9.622 -19.170 409 1HG ARG 372 2HG ARG 372 4.191 9.926 -19.936 410 2HG ARG 372 1HG ARG 372 3.840 8.411 -20.769 411 1HD ARG 372 2HD ARG 372 3.382 10.368 -22.183 412 2HD ARG 372 1HD ARG 372 1.929 9.420 -21.866 413 HE ARG 372 HE ARG 372 2.082 11.434 -19.941 414 1HH1 ARG 372 1HH1 ARG 372 1.641 11.103 -23.379 415 2HH1 ARG 372 2HH1 ARG 372 0.686 12.539 -23.526 416 1HH2 ARG 372 1HH2 ARG 372 0.831 13.328 -20.120 417 2HH2 ARG 372 2HH2 ARG 372 0.225 13.807 -21.671 418 H GLN 373 H GLN 373 1.337 10.286 -16.819 419 HA GLN 373 HA GLN 373 2.510 12.812 -16.945 420 1HB GLN 373 2HB GLN 373 0.100 11.731 -15.999 421 2HB GLN 373 1HB GLN 373 0.814 12.537 -14.607 422 1HG GLN 373 2HG GLN 373 0.179 13.756 -17.284 423 2HG GLN 373 1HG GLN 373 -0.629 14.069 -15.749 424 1HE2 GLN 373 1HE2 GLN 373 1.863 14.071 -14.247 425 2HE2 GLN 373 2HE2 GLN 373 2.648 15.566 -14.611 426 H LEU 374 H LEU 374 2.440 10.465 -14.302 427 HA LEU 374 HA LEU 374 3.697 11.916 -12.347 428 1HB LEU 374 2HB LEU 374 4.293 9.005 -12.780 429 2HB LEU 374 1HB LEU 374 4.185 9.879 -11.264 430 HG LEU 374 HG LEU 374 2.035 8.706 -12.931 431 1HD1 LEU 374 1HD1 LEU 374 2.280 9.196 -9.968 432 2HD1 LEU 374 2HD1 LEU 374 2.807 7.731 -10.794 433 3HD1 LEU 374 3HD1 LEU 374 1.099 8.169 -10.779 434 1HD2 LEU 374 1HD2 LEU 374 0.549 10.386 -11.446 435 2HD2 LEU 374 2HD2 LEU 374 0.995 10.698 -13.123 436 3HD2 LEU 374 3HD2 LEU 374 1.922 11.431 -11.812 437 H TYR 375 H TYR 375 5.479 9.452 -14.228 438 HA TYR 375 HA TYR 375 7.960 10.778 -13.558 439 1HB TYR 375 2HB TYR 375 7.181 8.175 -14.732 440 2HB TYR 375 1HB TYR 375 8.771 8.796 -15.164 441 HD1 TYR 375 HD1 TYR 375 10.414 7.748 -13.934 442 HD2 TYR 375 HD2 TYR 375 6.774 8.804 -12.004 443 HE1 TYR 375 HE1 TYR 375 11.317 6.930 -11.798 444 HE2 TYR 375 HE2 TYR 375 7.667 7.988 -9.862 445 HH TYR 375 HH TYR 375 10.191 6.003 -9.560 446 H SER 376 H SER 376 6.158 10.164 -16.555 447 HA SER 376 HA SER 376 8.142 11.175 -18.285 448 1HB SER 376 2HB SER 376 5.932 9.799 -18.758 449 2HB SER 376 1HB SER 376 5.262 11.406 -19.037 450 HG SER 376 HG SER 376 6.069 10.664 -20.970 451 H LEU 377 H LEU 377 5.659 12.796 -16.404 452 HA LEU 377 HA LEU 377 6.416 15.322 -17.718 453 1HB LEU 377 2HB LEU 377 3.886 14.392 -16.441 454 2HB LEU 377 1HB LEU 377 4.255 16.103 -16.444 455 HG LEU 377 HG LEU 377 2.789 15.392 -18.319 456 1HD1 LEU 377 1HD1 LEU 377 4.982 16.215 -19.941 457 2HD1 LEU 377 2HD1 LEU 377 5.074 17.052 -18.391 458 3HD1 LEU 377 3HD1 LEU 377 3.610 17.164 -19.367 459 1HD2 LEU 377 1HD2 LEU 377 3.295 13.716 -19.705 460 2HD2 LEU 377 2HD2 LEU 377 4.498 13.250 -18.503 461 3HD2 LEU 377 3HD2 LEU 377 4.967 14.249 -19.879 462 H ILE 378 H ILE 378 5.763 13.884 -14.533 463 HA ILE 378 HA ILE 378 7.308 16.102 -13.349 464 HB ILE 378 HB ILE 378 5.490 14.528 -11.615 465 1HG1 ILE 378 2HG1 ILE 378 4.189 14.936 -13.706 466 2HG1 ILE 378 1HG1 ILE 378 3.522 15.746 -12.291 467 1HG2 ILE 378 1HG2 ILE 378 7.009 16.515 -10.987 468 2HG2 ILE 378 2HG2 ILE 378 5.353 16.498 -10.382 469 3HG2 ILE 378 3HG2 ILE 378 5.774 17.508 -11.765 470 1HD1 ILE 378 1HD1 ILE 378 5.412 17.391 -13.781 471 2HD1 ILE 378 2HD1 ILE 378 3.790 17.767 -13.195 472 3HD1 ILE 378 3HD1 ILE 378 4.000 16.904 -14.719 473 H GLY 379 H GLY 379 8.814 14.137 -14.288 474 1HA GLY 379 2HA GLY 379 9.734 12.809 -11.835 475 2HA GLY 379 1HA GLY 379 9.493 11.842 -13.283 476 H TYR 380 H TYR 380 10.853 15.102 -12.913 477 HA TYR 380 HA TYR 380 13.154 14.264 -14.486 478 1HB TYR 380 2HB TYR 380 13.676 16.627 -14.666 479 2HB TYR 380 1HB TYR 380 11.980 16.363 -15.054 480 HD1 TYR 380 HD1 TYR 380 14.258 17.488 -12.343 481 HD2 TYR 380 HD2 TYR 380 10.293 17.508 -13.889 482 HE1 TYR 380 HE1 TYR 380 13.622 19.181 -10.676 483 HE2 TYR 380 HE2 TYR 380 9.649 19.201 -12.227 484 HH TYR 380 HH TYR 380 11.509 19.948 -9.544 485 H ALA 381 H ALA 381 12.483 15.727 -11.311 486 HA ALA 381 HA ALA 381 14.246 14.378 -9.791 487 1HB ALA 381 1HB ALA 381 15.717 16.045 -11.637 488 2HB ALA 381 2HB ALA 381 16.296 14.790 -10.540 489 3HB ALA 381 3HB ALA 381 16.095 16.445 -9.960 490 H SER 382 H SER 382 15.516 16.173 -8.195 491 HA SER 382 HA SER 382 15.041 17.367 -6.302 492 1HB SER 382 2HB SER 382 15.417 19.052 -8.197 493 2HB SER 382 1HB SER 382 13.669 19.282 -8.176 494 HG SER 382 HG SER 382 15.390 19.609 -5.943 495 H LEU 383 H LEU 383 12.832 15.496 -7.250 496 HA LEU 383 HA LEU 383 10.685 16.764 -5.683 497 1HB LEU 383 2HB LEU 383 9.038 16.087 -7.150 498 2HB LEU 383 1HB LEU 383 10.339 16.545 -8.231 499 HG LEU 383 HG LEU 383 9.835 13.694 -7.394 500 1HD1 LEU 383 1HD1 LEU 383 8.726 15.280 -9.687 501 2HD1 LEU 383 2HD1 LEU 383 7.872 14.249 -8.539 502 3HD1 LEU 383 3HD1 LEU 383 8.910 13.528 -9.770 503 1HD2 LEU 383 1HD2 LEU 383 11.976 13.719 -8.211 504 2HD2 LEU 383 2HD2 LEU 383 11.663 15.075 -9.294 505 3HD2 LEU 383 3HD2 LEU 383 11.067 13.467 -9.702 506 H ARG 384 H ARG 384 12.879 14.355 -5.695 507 HA ARG 384 HA ARG 384 12.921 12.152 -4.909 508 1HB ARG 384 2HB ARG 384 12.318 14.161 -2.880 509 2HB ARG 384 1HB ARG 384 11.848 12.540 -2.388 510 1HG ARG 384 2HG ARG 384 14.579 13.155 -3.467 511 2HG ARG 384 1HG ARG 384 14.176 13.309 -1.755 512 1HD ARG 384 2HD ARG 384 13.770 11.019 -1.526 513 2HD ARG 384 1HD ARG 384 13.615 10.782 -3.265 514 HE ARG 384 HE ARG 384 16.220 11.639 -2.313 515 1HH1 ARG 384 1HH1 ARG 384 14.164 8.996 -3.274 516 2HH1 ARG 384 2HH1 ARG 384 15.482 7.926 -3.615 517 1HH2 ARG 384 1HH2 ARG 384 17.961 10.238 -2.759 518 2HH2 ARG 384 2HH2 ARG 384 17.642 8.631 -3.319 519 H LEU 385 H LEU 385 10.760 12.122 -6.529 520 HA LEU 385 HA LEU 385 8.284 11.602 -5.346 521 1HB LEU 385 2HB LEU 385 9.133 11.814 -7.895 522 2HB LEU 385 1HB LEU 385 8.945 10.074 -7.783 523 HG LEU 385 HG LEU 385 6.679 11.727 -6.816 524 1HD1 LEU 385 1HD1 LEU 385 6.175 11.371 -9.530 525 2HD1 LEU 385 2HD1 LEU 385 7.805 12.040 -9.446 526 3HD1 LEU 385 3HD1 LEU 385 6.462 12.893 -8.686 527 1HD2 LEU 385 1HD2 LEU 385 7.189 9.034 -7.846 528 2HD2 LEU 385 2HD2 LEU 385 5.714 9.781 -8.462 529 3HD2 LEU 385 3HD2 LEU 385 5.954 9.606 -6.722 530 H HIS 386 H HIS 386 7.439 9.968 -4.309 531 HA HIS 386 HA HIS 386 8.250 7.266 -4.693 532 1HB HIS 386 2HB HIS 386 9.221 6.833 -2.496 533 2HB HIS 386 1HB HIS 386 10.176 8.027 -3.367 534 HD1 HIS 386 HD1 HIS 386 10.443 10.306 -2.304 535 HD2 HIS 386 HD2 HIS 386 7.704 7.898 -0.311 536 HE1 HIS 386 HE1 HIS 386 9.908 11.521 -0.169 537 HE2 HIS 386 HE2 HIS 386 8.275 10.030 1.039 538 H TYR 387 H TYR 387 6.279 6.423 -4.683 539 HA TYR 387 HA TYR 387 4.052 7.407 -3.360 540 1HB TYR 387 2HB TYR 387 4.758 4.812 -4.626 541 2HB TYR 387 1HB TYR 387 3.341 4.844 -3.578 542 HD1 TYR 387 HD1 TYR 387 4.543 7.608 -5.708 543 HD2 TYR 387 HD2 TYR 387 1.621 4.561 -5.183 544 HE1 TYR 387 HE1 TYR 387 3.223 8.574 -7.532 545 HE2 TYR 387 HE2 TYR 387 0.285 5.520 -7.010 546 HH TYR 387 HH TYR 387 0.684 8.548 -8.187 547 H VAL 388 H VAL 388 2.763 5.926 -1.798 548 HA VAL 388 HA VAL 388 4.333 4.614 0.219 549 HB VAL 388 HB VAL 388 2.899 6.376 1.815 550 1HG1 VAL 388 1HG1 VAL 388 4.917 6.613 2.824 551 2HG1 VAL 388 2HG1 VAL 388 5.776 6.855 1.300 552 3HG1 VAL 388 3HG1 VAL 388 5.283 5.228 1.788 553 1HG2 VAL 388 1HG2 VAL 388 2.623 7.893 -0.071 554 2HG2 VAL 388 2HG2 VAL 388 4.366 7.885 -0.351 555 3HG2 VAL 388 3HG2 VAL 388 3.714 8.587 1.131 556 H THR 389 H THR 389 3.165 2.877 0.182 557 HA THR 389 HA THR 389 0.293 2.876 0.073 558 HB THR 389 HB THR 389 2.260 0.634 0.554 559 HG1 THR 389 HG1 THR 389 1.615 0.047 -1.571 560 1HG2 THR 389 1HG2 THR 389 -0.041 0.326 1.619 561 2HG2 THR 389 2HG2 THR 389 0.492 -0.921 0.491 562 3HG2 THR 389 3HG2 THR 389 -0.670 0.299 -0.029 563 H VAL 390 H VAL 390 -0.800 3.620 1.792 564 HA VAL 390 HA VAL 390 0.058 2.669 4.444 565 HB VAL 390 HB VAL 390 -1.068 4.594 5.423 566 1HG1 VAL 390 1HG1 VAL 390 0.593 5.783 3.251 567 2HG1 VAL 390 2HG1 VAL 390 1.328 4.642 4.379 568 3HG1 VAL 390 3HG1 VAL 390 0.588 6.125 4.982 569 1HG2 VAL 390 1HG2 VAL 390 -2.781 4.755 3.566 570 2HG2 VAL 390 2HG2 VAL 390 -1.561 5.636 2.645 571 3HG2 VAL 390 3HG2 VAL 390 -2.148 6.282 4.180 572 H LYS 391 H LYS 391 -1.519 1.974 5.910 573 HA LYS 391 HA LYS 391 -3.457 0.995 6.605 574 1HB LYS 391 2HB LYS 391 -4.529 3.007 5.507 575 2HB LYS 391 1HB LYS 391 -4.742 2.010 4.074 576 1HG LYS 391 2HG LYS 391 -6.747 2.186 5.552 577 2HG LYS 391 1HG LYS 391 -6.218 0.539 5.206 578 1HD LYS 391 2HD LYS 391 -6.836 0.921 7.586 579 2HD LYS 391 1HD LYS 391 -5.177 0.359 7.362 580 1HE LYS 391 2HE LYS 391 -4.268 2.395 7.935 581 2HE LYS 391 1HE LYS 391 -5.714 3.289 7.471 582 1HZ LYS 391 1HZ LYS 391 -5.755 1.442 9.773 583 2HZ LYS 391 2HZ LYS 391 -6.775 2.749 9.444 584 3HZ LYS 391 3HZ LYS 391 -5.185 3.027 9.946 585 H LYS 392 H LYS 392 -1.600 -0.556 5.448 586 HA LYS 392 HA LYS 392 -1.891 -2.022 3.255 587 1HB LYS 392 2HB LYS 392 -0.972 -2.614 5.949 588 2HB LYS 392 1HB LYS 392 -1.588 -4.045 5.135 589 1HG LYS 392 2HG LYS 392 0.001 -3.911 3.435 590 2HG LYS 392 1HG LYS 392 0.376 -2.224 3.793 591 1HD LYS 392 2HD LYS 392 0.931 -4.475 5.715 592 2HD LYS 392 1HD LYS 392 2.103 -3.921 4.517 593 1HE LYS 392 2HE LYS 392 2.720 -2.258 5.852 594 2HE LYS 392 1HE LYS 392 1.063 -1.658 5.906 595 1HZ LYS 392 1HZ LYS 392 1.497 -2.091 8.105 596 2HZ LYS 392 2HZ LYS 392 2.446 -3.453 7.780 597 3HZ LYS 392 3HZ LYS 392 0.763 -3.541 7.635 598 HA PRO 393 HA PRO 393 -5.917 -3.737 2.869 599 1HB PRO 393 2HB PRO 393 -4.550 -6.130 1.773 600 2HB PRO 393 1HB PRO 393 -5.788 -5.106 1.039 601 1HG PRO 393 2HG PRO 393 -3.247 -4.978 0.236 602 2HG PRO 393 1HG PRO 393 -4.249 -3.520 0.345 603 1HD PRO 393 2HD PRO 393 -2.117 -4.495 2.195 604 2HD PRO 393 1HD PRO 393 -2.499 -2.839 1.686 605 H THR 394 H THR 394 -7.025 -5.984 3.183 606 HA THR 394 HA THR 394 -5.878 -7.692 5.193 607 HB THR 394 HB THR 394 -6.847 -6.954 7.071 608 HG1 THR 394 HG1 THR 394 -8.982 -6.870 7.255 609 1HG2 THR 394 1HG2 THR 394 -7.496 -4.566 5.346 610 2HG2 THR 394 2HG2 THR 394 -6.034 -4.823 6.298 611 3HG2 THR 394 3HG2 THR 394 -7.582 -4.581 7.107 612 H ALA 395 H ALA 395 -7.209 -9.537 5.670 613 HA ALA 395 HA ALA 395 -8.566 -10.560 3.452 614 1HB ALA 395 1HB ALA 395 -9.356 -11.791 5.977 615 2HB ALA 395 2HB ALA 395 -7.610 -11.622 5.788 616 3HB ALA 395 3HB ALA 395 -8.549 -12.491 4.573 617 H VAL 396 H VAL 396 -9.687 -8.568 6.042 618 HA VAL 396 HA VAL 396 -12.431 -8.860 5.041 619 HB VAL 396 HB VAL 396 -13.343 -8.613 7.195 620 1HG1 VAL 396 1HG1 VAL 396 -12.848 -10.775 7.454 621 2HG1 VAL 396 2HG1 VAL 396 -11.575 -10.226 8.543 622 3HG1 VAL 396 3HG1 VAL 396 -11.204 -10.560 6.852 623 1HG2 VAL 396 1HG2 VAL 396 -11.407 -8.332 9.094 624 2HG2 VAL 396 2HG2 VAL 396 -12.378 -7.012 8.442 625 3HG2 VAL 396 3HG2 VAL 396 -10.773 -7.333 7.786 626 H ASP 397 H ASP 397 -9.987 -7.011 4.677 627 HA ASP 397 HA ASP 397 -11.530 -4.624 4.376 628 1HB ASP 397 2HB ASP 397 -9.743 -4.938 6.656 629 2HB ASP 397 1HB ASP 397 -9.323 -3.547 5.662 630 HA PRO 398 HA PRO 398 -7.973 -5.867 1.374 631 1HB PRO 398 2HB PRO 398 -10.317 -5.222 -0.370 632 2HB PRO 398 1HB PRO 398 -9.057 -6.439 -0.594 633 1HG PRO 398 2HG PRO 398 -11.473 -7.140 0.258 634 2HG PRO 398 1HG PRO 398 -10.018 -7.907 0.922 635 1HD PRO 398 2HD PRO 398 -11.827 -5.892 2.152 636 2HD PRO 398 1HD PRO 398 -10.876 -7.179 2.918 637 H ASN 399 H ASN 399 -10.338 -3.290 1.648 638 HA ASN 399 HA ASN 399 -9.356 -1.444 -0.138 639 1HB ASN 399 2HB ASN 399 -10.383 0.269 1.321 640 2HB ASN 399 1HB ASN 399 -11.447 -1.108 1.045 641 1HD2 ASN 399 1HD2 ASN 399 -11.304 0.883 3.209 642 2HD2 ASN 399 2HD2 ASN 399 -11.180 -0.026 4.667 643 H SER 400 H SER 400 -7.661 -0.153 -0.245 644 HA SER 400 HA SER 400 -5.996 0.265 2.133 645 1HB SER 400 2HB SER 400 -5.267 -1.430 0.020 646 2HB SER 400 1HB SER 400 -4.367 0.061 -0.258 647 HG SER 400 HG SER 400 -4.149 -1.794 1.786 648 H ILE 401 H ILE 401 -4.962 2.259 2.220 649 HA ILE 401 HA ILE 401 -5.865 4.174 0.200 650 HB ILE 401 HB ILE 401 -6.729 4.932 2.176 651 1HG1 ILE 401 2HG1 ILE 401 -5.277 6.800 3.045 652 2HG1 ILE 401 1HG1 ILE 401 -3.984 6.184 2.025 653 1HG2 ILE 401 1HG2 ILE 401 -5.286 4.958 4.320 654 2HG2 ILE 401 2HG2 ILE 401 -4.332 3.752 3.465 655 3HG2 ILE 401 3HG2 ILE 401 -6.036 3.454 3.783 656 1HD1 ILE 401 1HD1 ILE 401 -4.829 7.136 0.204 657 2HD1 ILE 401 2HD1 ILE 401 -5.808 8.086 1.322 658 3HD1 ILE 401 3HD1 ILE 401 -6.473 6.627 0.586 659 H VAL 402 H VAL 402 -4.289 4.232 -1.308 660 HA VAL 402 HA VAL 402 -1.514 4.109 -0.681 661 HB VAL 402 HB VAL 402 -2.330 5.313 -3.267 662 1HG1 VAL 402 1HG1 VAL 402 -0.013 4.694 -2.791 663 2HG1 VAL 402 2HG1 VAL 402 -0.667 3.753 -4.131 664 3HG1 VAL 402 3HG1 VAL 402 -0.510 3.022 -2.534 665 1HG2 VAL 402 1HG2 VAL 402 -4.128 3.836 -3.237 666 2HG2 VAL 402 2HG2 VAL 402 -3.226 2.601 -2.357 667 3HG2 VAL 402 3HG2 VAL 402 -2.869 2.912 -4.058 668 H GLU 403 H GLU 403 0.019 5.859 -1.329 669 HA GLU 403 HA GLU 403 -0.981 8.576 -1.186 670 1HB GLU 403 2HB GLU 403 -0.728 8.041 1.176 671 2HB GLU 403 1HB GLU 403 0.890 7.419 0.885 672 1HG GLU 403 2HG GLU 403 1.548 9.700 0.125 673 2HG GLU 403 1HG GLU 403 -0.036 10.268 0.651 674 H CYS 404 H CYS 404 0.684 10.090 -1.704 675 HA CYS 404 HA CYS 404 3.075 8.902 -2.906 676 1HB CYS 404 2HB CYS 404 1.336 9.419 -4.678 677 2HB CYS 404 1HB CYS 404 1.491 11.111 -4.228 678 HG CYS 404 HG CYS 404 3.048 10.286 -6.309 679 H ARG 405 H ARG 405 4.855 9.942 -2.319 680 HA ARG 405 HA ARG 405 4.563 12.628 -1.158 681 1HB ARG 405 2HB ARG 405 4.738 10.902 0.601 682 2HB ARG 405 1HB ARG 405 6.280 10.390 -0.074 683 1HG ARG 405 2HG ARG 405 7.227 11.817 1.342 684 2HG ARG 405 1HG ARG 405 6.616 13.103 0.300 685 1HD ARG 405 2HD ARG 405 5.802 13.738 2.362 686 2HD ARG 405 1HD ARG 405 4.441 12.837 1.698 687 HE ARG 405 HE ARG 405 6.094 11.096 3.166 688 1HH1 ARG 405 1HH1 ARG 405 3.850 13.720 3.622 689 2HH1 ARG 405 2HH1 ARG 405 3.364 13.200 5.201 690 1HH2 ARG 405 1HH2 ARG 405 5.461 10.402 5.241 691 2HH2 ARG 405 2HH2 ARG 405 4.281 11.312 6.122 692 H VAL 406 H VAL 406 5.891 14.095 -1.975 693 HA VAL 406 HA VAL 406 8.312 13.180 -3.381 694 HB VAL 406 HB VAL 406 7.801 15.456 -4.688 695 1HG1 VAL 406 1HG1 VAL 406 6.722 12.705 -5.208 696 2HG1 VAL 406 2HG1 VAL 406 8.230 13.402 -5.786 697 3HG1 VAL 406 3HG1 VAL 406 6.692 13.997 -6.408 698 1HG2 VAL 406 1HG2 VAL 406 5.058 14.326 -4.189 699 2HG2 VAL 406 2HG2 VAL 406 5.485 15.781 -5.092 700 3HG2 VAL 406 3HG2 VAL 406 5.690 15.737 -3.343 701 H GLY 407 H GLY 407 10.164 14.187 -2.923 702 1HA GLY 407 2HA GLY 407 11.655 15.620 -1.929 703 2HA GLY 407 1HA GLY 407 10.395 16.847 -2.002 704 H ASP 408 H ASP 408 9.203 14.170 -0.415 705 HA ASP 408 HA ASP 408 8.767 13.683 1.770 706 1HB ASP 408 2HB ASP 408 11.474 14.221 1.733 707 2HB ASP 408 1HB ASP 408 10.880 15.320 2.975 708 H GLY 409 H GLY 409 6.985 15.217 1.129 709 1HA GLY 409 2HA GLY 409 6.170 16.788 3.198 710 2HA GLY 409 1HA GLY 409 7.079 17.887 2.172 711 H THR 410 H THR 410 6.435 17.002 -0.337 712 HA THR 410 HA THR 410 3.686 17.925 -0.557 713 HB THR 410 HB THR 410 5.864 17.413 -2.580 714 HG1 THR 410 HG1 THR 410 4.528 19.830 -2.523 715 1HG2 THR 410 1HG2 THR 410 4.239 18.360 -4.250 716 2HG2 THR 410 2HG2 THR 410 2.970 18.079 -3.057 717 3HG2 THR 410 3HG2 THR 410 3.892 16.719 -3.703 718 H VAL 411 H VAL 411 2.091 16.461 -0.423 719 HA VAL 411 HA VAL 411 2.579 13.675 -0.775 720 HB VAL 411 HB VAL 411 -0.146 14.886 -0.532 721 1HG1 VAL 411 1HG1 VAL 411 -0.275 12.682 0.890 722 2HG1 VAL 411 2HG1 VAL 411 1.123 12.220 -0.085 723 3HG1 VAL 411 3HG1 VAL 411 -0.406 12.625 -0.868 724 1HG2 VAL 411 1HG2 VAL 411 1.930 15.403 1.220 725 2HG2 VAL 411 2HG2 VAL 411 1.083 14.043 1.957 726 3HG2 VAL 411 3HG2 VAL 411 0.206 15.525 1.576 727 H LEU 412 H LEU 412 0.208 15.762 -2.626 728 HA LEU 412 HA LEU 412 -0.602 15.418 -4.695 729 1HB LEU 412 2HB LEU 412 2.018 13.968 -4.963 730 2HB LEU 412 1HB LEU 412 0.878 14.087 -6.289 731 HG LEU 412 HG LEU 412 1.410 16.229 -6.734 732 1HD1 LEU 412 1HD1 LEU 412 2.038 17.889 -4.971 733 2HD1 LEU 412 2HD1 LEU 412 1.739 16.631 -3.770 734 3HD1 LEU 412 3HD1 LEU 412 0.423 17.202 -4.796 735 1HD2 LEU 412 1HD2 LEU 412 3.568 15.592 -6.976 736 2HD2 LEU 412 2HD2 LEU 412 3.691 15.003 -5.318 737 3HD2 LEU 412 3HD2 LEU 412 3.799 16.732 -5.650 738 H GLY 413 H GLY 413 0.541 12.367 -3.114 739 1HA GLY 413 2HA GLY 413 -1.723 11.055 -4.456 740 2HA GLY 413 1HA GLY 413 -0.277 10.219 -3.946 741 H THR 414 H THR 414 -3.383 10.373 -3.343 742 HA THR 414 HA THR 414 -3.130 9.276 -0.712 743 HB THR 414 HB THR 414 -4.989 11.551 -0.552 744 HG1 THR 414 HG1 THR 414 -3.482 13.125 -0.439 745 1HG2 THR 414 1HG2 THR 414 -3.165 11.556 1.567 746 2HG2 THR 414 2HG2 THR 414 -3.430 9.857 1.176 747 3HG2 THR 414 3HG2 THR 414 -4.801 10.897 1.566 748 H GLY 415 H GLY 415 -4.105 7.827 -2.551 749 1HA GLY 415 2HA GLY 415 -7.031 8.229 -2.630 750 2HA GLY 415 1HA GLY 415 -6.113 7.316 -3.813 751 H VAL 416 H VAL 416 -8.284 6.124 -2.908 752 HA VAL 416 HA VAL 416 -7.245 4.031 -1.122 753 HB VAL 416 HB VAL 416 -8.911 5.604 0.008 754 1HG1 VAL 416 1HG1 VAL 416 -10.381 5.625 -2.091 755 2HG1 VAL 416 2HG1 VAL 416 -11.185 5.504 -0.526 756 3HG1 VAL 416 3HG1 VAL 416 -10.981 4.066 -1.527 757 1HG2 VAL 416 1HG2 VAL 416 -10.194 2.985 0.187 758 2HG2 VAL 416 2HG2 VAL 416 -9.359 3.924 1.424 759 3HG2 VAL 416 3HG2 VAL 416 -8.436 2.918 0.307 760 H GLY 417 H GLY 417 -8.580 1.980 -1.309 761 1HA GLY 417 2HA GLY 417 -10.229 1.586 -3.592 762 2HA GLY 417 1HA GLY 417 -8.588 1.062 -3.932 763 H ARG 418 H ARG 418 -11.554 0.058 -2.894 764 HA ARG 418 HA ARG 418 -11.256 -1.661 -0.799 765 1HB ARG 418 2HB ARG 418 -12.767 -3.228 -2.371 766 2HB ARG 418 1HB ARG 418 -13.392 -1.794 -1.568 767 1HG ARG 418 2HG ARG 418 -12.209 -1.179 -4.143 768 2HG ARG 418 1HG ARG 418 -13.518 -2.355 -4.265 769 1HD ARG 418 2HD ARG 418 -14.132 -0.142 -2.472 770 2HD ARG 418 1HD ARG 418 -13.800 0.381 -4.123 771 HE ARG 418 HE ARG 418 -15.529 -1.703 -4.420 772 1HH1 ARG 418 1HH1 ARG 418 -15.577 1.276 -2.620 773 2HH1 ARG 418 2HH1 ARG 418 -17.298 1.452 -2.705 774 1HH2 ARG 418 1HH2 ARG 418 -17.797 -1.482 -4.539 775 2HH2 ARG 418 2HH2 ARG 418 -18.560 -0.117 -3.795 776 H ASN 419 H ASN 419 -10.911 -2.807 -4.171 777 HA ASN 419 HA ASN 419 -9.506 -5.137 -3.376 778 1HB ASN 419 2HB ASN 419 -9.815 -5.767 -5.514 779 2HB ASN 419 1HB ASN 419 -10.752 -4.291 -5.691 780 1HD2 ASN 419 1HD2 ASN 419 -8.608 -6.051 -7.215 781 2HD2 ASN 419 2HD2 ASN 419 -7.680 -4.842 -8.027 782 H ILE 420 H ILE 420 -8.638 -1.893 -3.905 783 HA ILE 420 HA ILE 420 -6.694 -0.920 -3.084 784 HB ILE 420 HB ILE 420 -4.631 -1.910 -2.870 785 1HG1 ILE 420 2HG1 ILE 420 -4.374 -4.361 -3.923 786 2HG1 ILE 420 1HG1 ILE 420 -5.520 -3.683 -5.078 787 1HG2 ILE 420 1HG2 ILE 420 -5.692 -4.496 -2.300 788 2HG2 ILE 420 2HG2 ILE 420 -6.868 -3.263 -1.843 789 3HG2 ILE 420 3HG2 ILE 420 -5.232 -3.207 -1.189 790 1HD1 ILE 420 1HD1 ILE 420 -3.982 -1.838 -5.533 791 2HD1 ILE 420 2HD1 ILE 420 -3.222 -3.406 -5.829 792 3HD1 ILE 420 3HD1 ILE 420 -2.843 -2.507 -4.362 793 H LYS 421 H LYS 421 -6.795 -2.769 -6.102 794 HA LYS 421 HA LYS 421 -4.939 -1.346 -7.566 795 1HB LYS 421 2HB LYS 421 -7.119 -3.092 -8.167 796 2HB LYS 421 1HB LYS 421 -7.172 -1.727 -9.274 797 1HG LYS 421 2HG LYS 421 -5.854 -3.580 -10.172 798 2HG LYS 421 1HG LYS 421 -4.876 -2.129 -9.925 799 1HD LYS 421 2HD LYS 421 -3.523 -3.193 -8.513 800 2HD LYS 421 1HD LYS 421 -4.887 -3.784 -7.561 801 1HE LYS 421 2HE LYS 421 -4.317 -5.084 -10.176 802 2HE LYS 421 1HE LYS 421 -3.248 -5.435 -8.817 803 1HZ LYS 421 1HZ LYS 421 -6.062 -6.128 -9.197 804 2HZ LYS 421 2HZ LYS 421 -5.549 -5.794 -7.620 805 3HZ LYS 421 3HZ LYS 421 -4.811 -7.032 -8.506 806 H ILE 422 H ILE 422 -8.382 -0.606 -7.127 807 HA ILE 422 HA ILE 422 -8.544 1.789 -8.499 808 HB ILE 422 HB ILE 422 -9.769 1.964 -5.831 809 1HG1 ILE 422 2HG1 ILE 422 -11.548 0.217 -6.622 810 2HG1 ILE 422 1HG1 ILE 422 -10.208 -0.444 -7.557 811 1HG2 ILE 422 1HG2 ILE 422 -10.951 2.030 -8.598 812 2HG2 ILE 422 2HG2 ILE 422 -10.346 3.426 -7.703 813 3HG2 ILE 422 3HG2 ILE 422 -11.745 2.530 -7.104 814 1HD1 ILE 422 1HD1 ILE 422 -8.965 -0.305 -5.240 815 2HD1 ILE 422 2HD1 ILE 422 -10.021 -1.666 -5.643 816 3HD1 ILE 422 3HD1 ILE 422 -10.617 -0.358 -4.623 817 H ALA 423 H ALA 423 -7.088 0.969 -5.458 818 HA ALA 423 HA ALA 423 -6.510 3.639 -4.631 819 1HB ALA 423 1HB ALA 423 -6.538 1.185 -3.407 820 2HB ALA 423 2HB ALA 423 -5.904 2.679 -2.709 821 3HB ALA 423 3HB ALA 423 -4.813 1.551 -3.513 822 H GLY 424 H GLY 424 -4.834 1.135 -6.477 823 1HA GLY 424 2HA GLY 424 -2.293 2.454 -6.463 824 2HA GLY 424 1HA GLY 424 -2.798 1.180 -7.568 825 H ILE 425 H ILE 425 -4.786 2.113 -8.987 826 HA ILE 425 HA ILE 425 -3.609 3.954 -10.771 827 HB ILE 425 HB ILE 425 -6.428 2.914 -10.532 828 1HG1 ILE 425 2HG1 ILE 425 -5.638 1.938 -12.830 829 2HG1 ILE 425 1HG1 ILE 425 -4.025 2.288 -12.218 830 1HG2 ILE 425 1HG2 ILE 425 -5.522 5.230 -11.961 831 2HG2 ILE 425 2HG2 ILE 425 -7.149 4.561 -11.838 832 3HG2 ILE 425 3HG2 ILE 425 -6.053 3.991 -13.097 833 1HD1 ILE 425 1HD1 ILE 425 -5.895 0.748 -10.497 834 2HD1 ILE 425 2HD1 ILE 425 -4.136 0.672 -10.610 835 3HD1 ILE 425 3HD1 ILE 425 -5.133 -0.057 -11.869 836 H ARG 426 H ARG 426 -6.127 4.303 -8.287 837 HA ARG 426 HA ARG 426 -6.884 6.930 -8.780 838 1HB ARG 426 2HB ARG 426 -8.129 5.717 -7.159 839 2HB ARG 426 1HB ARG 426 -6.692 5.367 -6.209 840 1HG ARG 426 2HG ARG 426 -7.723 7.006 -4.964 841 2HG ARG 426 1HG ARG 426 -6.557 7.934 -5.910 842 1HD ARG 426 2HD ARG 426 -8.253 8.629 -7.445 843 2HD ARG 426 1HD ARG 426 -9.430 7.531 -6.724 844 HE ARG 426 HE ARG 426 -8.578 9.257 -4.719 845 1HH1 ARG 426 1HH1 ARG 426 -10.270 9.427 -7.756 846 2HH1 ARG 426 2HH1 ARG 426 -11.199 10.820 -7.312 847 1HH2 ARG 426 1HH2 ARG 426 -9.800 11.095 -4.120 848 2HH2 ARG 426 2HH2 ARG 426 -10.931 11.769 -5.245 849 H ALA 427 H ALA 427 -4.321 5.742 -6.602 850 HA ALA 427 HA ALA 427 -3.329 8.183 -5.761 851 1HB ALA 427 1HB ALA 427 -2.452 5.482 -5.666 852 2HB ALA 427 2HB ALA 427 -1.935 6.844 -4.671 853 3HB ALA 427 3HB ALA 427 -1.096 6.485 -6.182 854 H ALA 428 H ALA 428 -2.694 6.379 -8.734 855 HA ALA 428 HA ALA 428 -0.638 7.916 -9.798 856 1HB ALA 428 1HB ALA 428 -0.914 6.490 -11.483 857 2HB ALA 428 2HB ALA 428 -2.428 7.284 -11.919 858 3HB ALA 428 3HB ALA 428 -2.434 5.942 -10.774 859 H GLU 429 H GLU 429 -4.026 8.268 -10.921 860 HA GLU 429 HA GLU 429 -3.833 10.734 -12.048 861 1HB GLU 429 2HB GLU 429 -6.152 9.827 -10.332 862 2HB GLU 429 1HB GLU 429 -6.206 11.056 -11.588 863 1HG GLU 429 2HG GLU 429 -6.384 9.550 -13.228 864 2HG GLU 429 1HG GLU 429 -5.206 8.463 -12.495 865 H ASN 430 H ASN 430 -4.057 9.890 -8.684 866 HA ASN 430 HA ASN 430 -4.498 12.317 -7.453 867 1HB ASN 430 2HB ASN 430 -3.692 9.712 -6.733 868 2HB ASN 430 1HB ASN 430 -2.560 10.830 -5.991 869 1HD2 ASN 430 1HD2 ASN 430 -6.035 10.619 -6.610 870 2HD2 ASN 430 2HD2 ASN 430 -6.526 11.105 -5.030 871 H ALA 431 H ALA 431 -1.492 10.990 -8.781 872 HA ALA 431 HA ALA 431 0.074 13.204 -7.766 873 1HB ALA 431 1HB ALA 431 1.130 11.022 -7.898 874 2HB ALA 431 2HB ALA 431 1.953 12.175 -8.951 875 3HB ALA 431 3HB ALA 431 0.856 10.976 -9.640 876 H LEU 432 H LEU 432 -1.792 12.493 -10.532 877 HA LEU 432 HA LEU 432 -0.578 14.794 -11.933 878 1HB LEU 432 2HB LEU 432 -1.284 13.854 -14.024 879 2HB LEU 432 1HB LEU 432 -0.359 12.647 -13.149 880 HG LEU 432 HG LEU 432 -3.111 12.310 -12.502 881 1HD1 LEU 432 1HD1 LEU 432 -3.093 11.644 -15.288 882 2HD1 LEU 432 2HD1 LEU 432 -2.821 13.374 -15.076 883 3HD1 LEU 432 3HD1 LEU 432 -4.250 12.614 -14.376 884 1HD2 LEU 432 1HD2 LEU 432 -2.636 10.110 -13.741 885 2HD2 LEU 432 2HD2 LEU 432 -1.676 10.478 -12.309 886 3HD2 LEU 432 3HD2 LEU 432 -0.993 10.726 -13.915 887 H ARG 433 H ARG 433 -2.722 14.548 -9.849 888 HA ARG 433 HA ARG 433 -4.978 15.730 -11.334 889 1HB ARG 433 2HB ARG 433 -4.774 14.034 -8.917 890 2HB ARG 433 1HB ARG 433 -5.987 15.307 -8.866 891 1HG ARG 433 2HG ARG 433 -6.872 14.433 -11.028 892 2HG ARG 433 1HG ARG 433 -5.765 13.069 -10.854 893 1HD ARG 433 2HD ARG 433 -6.832 12.354 -8.851 894 2HD ARG 433 1HD ARG 433 -7.777 13.839 -8.750 895 HE ARG 433 HE ARG 433 -8.304 11.539 -10.440 896 1HH1 ARG 433 1HH1 ARG 433 -9.022 14.865 -9.697 897 2HH1 ARG 433 2HH1 ARG 433 -10.577 14.834 -10.460 898 1HH2 ARG 433 1HH2 ARG 433 -10.351 11.486 -11.443 899 2HH2 ARG 433 2HH2 ARG 433 -11.333 12.913 -11.453 900 H ASP 434 H ASP 434 -2.320 16.692 -9.769 901 HA ASP 434 HA ASP 434 -3.631 18.920 -8.368 902 1HB ASP 434 2HB ASP 434 -0.940 17.623 -8.070 903 2HB ASP 434 1HB ASP 434 -1.224 19.249 -7.461 904 H LYS 435 H LYS 435 -4.047 19.918 -10.462 905 HA LYS 435 HA LYS 435 -2.367 20.663 -12.428 906 1HB LYS 435 2HB LYS 435 -3.803 22.424 -12.907 907 2HB LYS 435 1HB LYS 435 -4.825 21.378 -11.930 908 1HG LYS 435 2HG LYS 435 -4.475 22.756 -9.993 909 2HG LYS 435 1HG LYS 435 -3.304 23.748 -10.864 910 1HD LYS 435 2HD LYS 435 -5.159 25.059 -11.068 911 2HD LYS 435 1HD LYS 435 -5.333 24.069 -12.519 912 1HE LYS 435 2HE LYS 435 -7.435 23.837 -11.672 913 2HE LYS 435 1HE LYS 435 -6.646 22.501 -10.831 914 1HZ LYS 435 1HZ LYS 435 -7.769 23.616 -9.159 915 2HZ LYS 435 2HZ LYS 435 -7.413 25.148 -9.779 916 3HZ LYS 435 3HZ LYS 435 -6.203 24.241 -9.021 917 H LYS 436 H LYS 436 -2.654 22.302 -9.295 918 HA LYS 436 HA LYS 436 -0.781 24.318 -9.720 919 1HB LYS 436 2HB LYS 436 -1.618 22.911 -7.185 920 2HB LYS 436 1HB LYS 436 -0.577 24.329 -7.205 921 1HG LYS 436 2HG LYS 436 -3.053 24.656 -8.730 922 2HG LYS 436 1HG LYS 436 -3.293 24.368 -7.004 923 1HD LYS 436 2HD LYS 436 -3.125 26.697 -7.190 924 2HD LYS 436 1HD LYS 436 -1.527 26.183 -6.641 925 1HE LYS 436 2HE LYS 436 -1.121 27.741 -8.354 926 2HE LYS 436 1HE LYS 436 -0.857 26.160 -9.090 927 1HZ LYS 436 1HZ LYS 436 -3.392 27.689 -9.307 928 2HZ LYS 436 2HZ LYS 436 -2.985 26.271 -10.134 929 3HZ LYS 436 3HZ LYS 436 -2.169 27.712 -10.476 930 H MET 437 H MET 437 -0.297 21.123 -8.201 931 HA MET 437 HA MET 437 2.471 21.411 -7.783 932 1HB MET 437 2HB MET 437 1.255 19.658 -6.652 933 2HB MET 437 1HB MET 437 0.791 18.929 -8.184 934 1HG MET 437 2HG MET 437 3.677 19.228 -7.496 935 2HG MET 437 1HG MET 437 2.733 17.919 -6.788 936 1HE MET 437 1HE MET 437 0.882 16.965 -8.352 937 2HE MET 437 2HE MET 437 1.895 15.569 -8.730 938 3HE MET 437 3HE MET 437 1.140 16.492 -10.029 939 H LEU 438 H LEU 438 0.738 19.658 -10.351 940 HA LEU 438 HA LEU 438 2.854 18.912 -11.930 941 1HB LEU 438 2HB LEU 438 0.140 19.922 -12.781 942 2HB LEU 438 1HB LEU 438 1.272 19.124 -13.854 943 HG LEU 438 HG LEU 438 -0.105 17.910 -11.457 944 1HD1 LEU 438 1HD1 LEU 438 -1.296 18.262 -13.728 945 2HD1 LEU 438 2HD1 LEU 438 -1.382 16.683 -12.946 946 3HD1 LEU 438 3HD1 LEU 438 -0.261 16.946 -14.283 947 1HD2 LEU 438 1HD2 LEU 438 2.018 16.794 -13.278 948 2HD2 LEU 438 2HD2 LEU 438 1.016 15.810 -12.213 949 3HD2 LEU 438 3HD2 LEU 438 2.109 17.016 -11.532 950 H ASP 439 H ASP 439 0.897 21.826 -12.498 951 HA ASP 439 HA ASP 439 2.598 23.048 -14.320 952 1HB ASP 439 2HB ASP 439 0.226 23.724 -13.744 953 2HB ASP 439 1HB ASP 439 0.881 24.530 -12.321 954 H PHE 440 H PHE 440 2.843 22.768 -10.874 955 HA PHE 440 HA PHE 440 4.640 24.939 -10.464 956 1HB PHE 440 2HB PHE 440 3.844 24.384 -8.414 957 2HB PHE 440 1HB PHE 440 3.555 22.712 -8.866 958 HD1 PHE 440 HD1 PHE 440 6.492 24.957 -8.331 959 HD2 PHE 440 HD2 PHE 440 4.719 21.145 -7.676 960 HE1 PHE 440 HE1 PHE 440 8.460 24.270 -7.024 961 HE2 PHE 440 HE2 PHE 440 6.683 20.451 -6.367 962 HZ PHE 440 HZ PHE 440 8.557 22.015 -6.041 963 H TYR 441 H TYR 441 4.995 21.512 -11.189 964 HA TYR 441 HA TYR 441 7.858 21.552 -11.009 965 1HB TYR 441 2HB TYR 441 5.819 19.544 -11.900 966 2HB TYR 441 1HB TYR 441 7.520 19.296 -12.294 967 HD1 TYR 441 HD1 TYR 441 5.004 19.142 -9.718 968 HD2 TYR 441 HD2 TYR 441 9.195 19.165 -10.433 969 HE1 TYR 441 HE1 TYR 441 5.387 18.269 -7.456 970 HE2 TYR 441 HE2 TYR 441 9.595 18.293 -8.180 971 HH TYR 441 HH TYR 441 7.912 18.458 -5.809 972 H ALA 442 H ALA 442 5.528 21.357 -13.718 973 HA ALA 442 HA ALA 442 7.237 21.349 -15.847 974 1HB ALA 442 1HB ALA 442 4.767 21.340 -16.040 975 2HB ALA 442 2HB ALA 442 5.539 22.475 -17.148 976 3HB ALA 442 3HB ALA 442 4.760 23.067 -15.681 977 H LYS 443 H LYS 443 6.193 24.156 -13.951 978 HA LYS 443 HA LYS 443 7.728 26.069 -15.374 979 1HB LYS 443 2HB LYS 443 6.352 27.342 -14.131 980 2HB LYS 443 1HB LYS 443 5.994 26.006 -13.052 981 1HG LYS 443 2HG LYS 443 6.857 27.593 -11.626 982 2HG LYS 443 1HG LYS 443 8.268 26.591 -11.958 983 1HD LYS 443 2HD LYS 443 9.226 28.607 -12.354 984 2HD LYS 443 1HD LYS 443 8.508 28.375 -13.950 985 1HE LYS 443 2HE LYS 443 7.076 30.069 -13.664 986 2HE LYS 443 1HE LYS 443 6.664 29.554 -12.030 987 1HZ LYS 443 1HZ LYS 443 8.273 30.856 -11.114 988 2HZ LYS 443 2HZ LYS 443 7.907 31.799 -12.470 989 3HZ LYS 443 3HZ LYS 443 9.274 30.805 -12.476 990 H GLN 444 H GLN 444 8.291 24.054 -12.553 991 HA GLN 444 HA GLN 444 10.833 25.098 -11.865 992 1HB GLN 444 2HB GLN 444 9.131 22.813 -11.110 993 2HB GLN 444 1HB GLN 444 10.847 22.564 -10.865 994 1HG GLN 444 2HG GLN 444 10.060 25.147 -9.889 995 2HG GLN 444 1HG GLN 444 9.044 23.885 -9.192 996 1HE2 GLN 444 1HE2 GLN 444 12.309 23.358 -10.241 997 2HE2 GLN 444 2HE2 GLN 444 12.988 23.109 -8.675 998 H ARG 445 H ARG 445 9.818 23.359 -14.516 999 HA ARG 445 HA ARG 445 12.317 21.896 -14.879 1000 1HB ARG 445 2HB ARG 445 9.597 21.798 -16.079 1001 2HB ARG 445 1HB ARG 445 10.943 21.338 -17.111 1002 1HG ARG 445 2HG ARG 445 10.478 20.134 -14.397 1003 2HG ARG 445 1HG ARG 445 9.802 19.463 -15.883 1004 1HD ARG 445 2HD ARG 445 12.564 19.971 -16.310 1005 2HD ARG 445 1HD ARG 445 12.398 19.095 -14.793 1006 HE ARG 445 HE ARG 445 10.888 17.589 -16.322 1007 1HH1 ARG 445 1HH1 ARG 445 13.960 19.062 -17.090 1008 2HH1 ARG 445 2HH1 ARG 445 14.405 17.830 -18.222 1009 1HH2 ARG 445 1HH2 ARG 445 11.477 15.973 -17.811 1010 2HH2 ARG 445 2HH2 ARG 445 12.997 16.082 -18.634 1011 H ALA 446 H ALA 446 10.407 24.493 -16.312 1012 HA ALA 446 HA ALA 446 12.229 24.964 -18.471 1013 1HB ALA 446 1HB ALA 446 10.350 25.912 -19.209 1014 2HB ALA 446 2HB ALA 446 10.766 27.287 -18.183 1015 3HB ALA 446 3HB ALA 446 9.679 26.035 -17.582 1016 H ALA 447 H ALA 447 11.972 25.994 -15.183 1017 HA ALA 447 HA ALA 447 13.622 28.324 -15.448 1018 1HB ALA 447 1HB ALA 447 12.885 28.758 -13.396 1019 2HB ALA 447 2HB ALA 447 13.622 27.281 -12.774 1020 3HB ALA 447 3HB ALA 447 11.989 27.239 -13.438 1021 H ILE 448 H ILE 448 14.109 25.063 -14.122 1022 HA ILE 448 HA ILE 448 16.705 25.190 -13.303 1023 HB ILE 448 HB ILE 448 16.910 22.785 -13.979 1024 1HG1 ILE 448 2HG1 ILE 448 14.026 22.897 -14.789 1025 2HG1 ILE 448 1HG1 ILE 448 15.275 23.247 -15.980 1026 1HG2 ILE 448 1HG2 ILE 448 15.026 24.001 -12.159 1027 2HG2 ILE 448 2HG2 ILE 448 16.061 22.590 -11.930 1028 3HG2 ILE 448 3HG2 ILE 448 14.477 22.409 -12.684 1029 1HD1 ILE 448 1HD1 ILE 448 15.997 21.100 -16.055 1030 2HD1 ILE 448 2HD1 ILE 448 14.312 20.816 -15.618 1031 3HD1 ILE 448 3HD1 ILE 448 15.565 20.776 -14.377 1032 HA PRO 449 HA PRO 449 19.049 26.029 -16.970 1033 1HB PRO 449 2HB PRO 449 21.508 25.644 -15.981 1034 2HB PRO 449 1HB PRO 449 20.504 26.999 -15.453 1035 1HG PRO 449 2HG PRO 449 21.008 24.376 -14.099 1036 2HG PRO 449 1HG PRO 449 20.960 26.005 -13.400 1037 1HD PRO 449 2HD PRO 449 18.867 24.236 -13.298 1038 2HD PRO 449 1HD PRO 449 18.675 25.999 -13.240 1039 H ARG 450 H ARG 450 18.354 23.049 -15.894 1040 HA ARG 450 HA ARG 450 20.121 21.753 -17.863 1041 1HB ARG 450 2HB ARG 450 19.000 20.241 -15.534 1042 2HB ARG 450 1HB ARG 450 20.433 19.902 -16.495 1043 1HG ARG 450 2HG ARG 450 21.747 21.332 -15.303 1044 2HG ARG 450 1HG ARG 450 20.399 22.390 -14.879 1045 1HD ARG 450 2HD ARG 450 19.676 20.979 -13.166 1046 2HD ARG 450 1HD ARG 450 20.582 19.603 -13.791 1047 HE ARG 450 HE ARG 450 21.601 21.773 -12.148 1048 1HH1 ARG 450 1HH1 ARG 450 22.315 19.007 -14.144 1049 2HH1 ARG 450 2HH1 ARG 450 23.892 18.768 -13.469 1050 1HH2 ARG 450 1HH2 ARG 450 23.677 21.464 -11.255 1051 2HH2 ARG 450 2HH2 ARG 450 24.666 20.164 -11.829 1052 H SER 451 H SER 451 18.061 22.589 -19.071 1053 HA SER 451 HA SER 451 15.992 20.498 -18.990 1054 1HB SER 451 2HB SER 451 15.732 23.280 -19.001 1055 2HB SER 451 1HB SER 451 15.338 22.792 -20.649 1056 HG SER 451 HG SER 451 13.632 21.702 -19.943 1057 H GLU 452 H GLU 452 18.633 21.646 -20.743 1058 HA GLU 452 HA GLU 452 17.700 20.823 -23.351 1059 1HB GLU 452 2HB GLU 452 19.596 22.598 -22.518 1060 2HB GLU 452 1HB GLU 452 20.593 21.215 -22.950 1061 1HG GLU 452 2HG GLU 452 20.549 22.196 -24.972 1062 2HG GLU 452 1HG GLU 452 19.034 21.308 -25.116 1063 H SER 453 HN SER 453 17.343 18.696 -21.775 1064 HA SER 453 HA SER 453 17.698 16.444 -21.768 1065 1HB SER 453 2HB SER 453 18.462 16.933 -24.182 1066 2HB SER 453 1HB SER 453 20.101 16.816 -23.544 1067 HG SER 453 HG SER 453 18.624 14.844 -24.333 Start of MODEL 15 1 1H5* G 1 2H5* G 1 -15.746 -27.506 -6.883 2 2H5* G 1 1H5* G 1 -14.427 -27.204 -8.033 3 H4* G 1 H4* G 1 -15.814 -25.595 -8.845 4 H3* G 1 H3* G 1 -14.544 -24.379 -6.386 5 H2* G 1 H2* G 1 -16.003 -22.552 -6.437 6 2HO* G 1 HO2* G 1 -16.477 -23.271 -9.160 7 H1* G 1 H1* G 1 -18.284 -23.793 -7.364 8 H8 G 1 H8 G 1 -17.248 -25.997 -4.657 9 H1 G 1 H1 G 1 -18.850 -20.277 -2.341 10 1H2 G 1 1H2 G 1 -19.007 -18.814 -4.015 11 2H2 G 1 2H2 G 1 -18.715 -19.255 -5.678 12 H5T G 1 H5T G 1 -13.728 -27.237 -5.850 13 1H5* G 2 2H5* G 2 -15.645 -21.677 -9.832 14 2H5* G 2 1H5* G 2 -14.112 -20.907 -10.285 15 H4* G 2 H4* G 2 -16.013 -19.322 -10.419 16 H3* G 2 H3* G 2 -13.781 -18.869 -8.419 17 H2* G 2 H2* G 2 -14.855 -16.899 -7.632 18 2HO* G 2 HO2* G 2 -16.362 -17.137 -10.035 19 H1* G 2 H1* G 2 -17.385 -17.859 -7.520 20 H8 G 2 H8 G 2 -15.067 -20.669 -6.580 21 H1 G 2 H1 G 2 -15.971 -16.540 -1.805 22 1H2 G 2 1H2 G 2 -17.006 -14.725 -2.561 23 2H2 G 2 2H2 G 2 -17.474 -14.538 -4.236 24 1H5* G 3 2H5* G 3 -14.500 -14.789 -9.689 25 2H5* G 3 1H5* G 3 -12.867 -14.231 -10.096 26 H4* G 3 H4* G 3 -14.005 -12.852 -8.321 27 H3* G 3 H3* G 3 -11.356 -14.241 -7.956 28 H2* G 3 H2* G 3 -11.332 -13.927 -5.679 29 2HO* G 3 HO2* G 3 -12.409 -11.983 -4.779 30 H1* G 3 H1* G 3 -14.115 -13.319 -5.253 31 H8 G 3 H8 G 3 -13.168 -16.825 -6.277 32 H1 G 3 H1 G 3 -12.524 -15.771 -0.015 33 1H2 G 3 1H2 G 3 -12.776 -13.624 0.420 34 2H2 G 3 2H2 G 3 -13.102 -12.444 -0.829 35 1H5* A 4 2H5* A 4 -11.607 -9.635 -6.168 36 2H5* A 4 1H5* A 4 -10.005 -9.110 -6.724 37 H4* A 4 H4* A 4 -10.368 -8.391 -4.407 38 H3* A 4 H3* A 4 -8.308 -10.568 -4.905 39 H2* A 4 H2* A 4 -7.814 -10.607 -2.597 40 2HO* A 4 HO2* A 4 -9.445 -8.447 -1.895 41 H1* A 4 H1* A 4 -10.377 -10.320 -1.642 42 H8 A 4 H8 A 4 -10.005 -12.681 -4.599 43 1H6 A 4 1H6 A 4 -8.791 -17.088 -0.471 44 2H6 A 4 2H6 A 4 -9.105 -16.758 -2.160 45 H2 A 4 H2 A 4 -8.949 -13.149 1.687 46 1H5* U 5 2H5* U 5 -7.319 -6.961 -1.852 47 2H5* U 5 1H5* U 5 -5.668 -6.607 -2.400 48 H4* U 5 H4* U 5 -5.861 -6.687 0.086 49 H3* U 5 H3* U 5 -4.094 -8.631 -1.421 50 H2* U 5 H2* U 5 -3.442 -9.653 0.628 51 2HO* U 5 HO2* U 5 -4.437 -8.571 2.638 52 H1* U 5 H1* U 5 -5.893 -9.796 1.773 53 H3 U 5 H3 U 5 -5.200 -14.045 0.422 54 H5 U 5 H5 U 5 -5.817 -11.946 -3.177 55 H6 U 5 H6 U 5 -5.869 -9.891 -1.892 56 1H5* A 6 2H5* A 6 -2.033 -7.914 2.180 57 2H5* A 6 1H5* A 6 -0.361 -7.544 1.719 58 H4* A 6 H4* A 6 -0.529 -9.503 3.260 59 H3* A 6 H3* A 6 0.607 -9.749 0.467 60 H2* A 6 H2* A 6 0.813 -12.057 0.664 61 2HO* A 6 HO2* A 6 0.574 -12.349 3.390 62 H1* A 6 H1* A 6 -1.195 -12.516 2.628 63 H8 A 6 H8 A 6 -2.252 -10.936 -0.660 64 1H6 A 6 1H6 A 6 -3.072 -16.672 -2.759 65 2H6 A 6 2H6 A 6 -3.312 -14.972 -3.102 66 H2 A 6 H2 A 6 -1.061 -16.923 1.252 67 1H5* C 7 2H5* C 7 3.170 -12.011 3.527 68 2H5* C 7 1H5* C 7 4.816 -11.476 3.138 69 H4* C 7 H4* C 7 4.863 -13.881 3.279 70 H3* C 7 H3* C 7 4.945 -12.734 0.471 71 H2* C 7 H2* C 7 5.038 -14.903 -0.423 72 2HO* C 7 HO2* C 7 5.274 -16.592 1.566 73 H1* C 7 H1* C 7 3.375 -16.172 1.386 74 1H4 C 7 1H4 C 7 -0.074 -15.234 -3.861 75 2H4 C 7 2H4 C 7 0.071 -13.498 -3.706 76 H5 C 7 H5 C 7 1.346 -12.433 -1.963 77 H6 C 7 H6 C 7 2.751 -12.793 0.007 78 1H5* C 8 2H5* C 8 8.417 -15.986 1.343 79 2H5* C 8 1H5* C 8 9.723 -15.257 0.388 80 H4* C 8 H4* C 8 9.449 -17.686 -0.081 81 H3* C 8 H3* C 8 8.913 -15.660 -2.287 82 H2* C 8 H2* C 8 8.573 -17.482 -3.786 83 2HO* C 8 HO2* C 8 8.947 -19.685 -2.448 84 H1* C 8 H1* C 8 7.112 -19.050 -2.084 85 1H4 C 8 1H4 C 8 2.695 -15.895 -5.356 86 2H4 C 8 2H4 C 8 3.010 -14.439 -4.439 87 H5 C 8 H5 C 8 4.772 -14.261 -2.812 88 H6 C 8 H6 C 8 6.616 -15.439 -1.713 89 1H5* A 9 2H5* A 9 11.790 -18.226 -4.423 90 2H5* A 9 1H5* A 9 12.631 -17.054 -5.457 91 H4* A 9 H4* A 9 11.247 -18.798 -6.691 92 H3* A 9 H3* A 9 10.794 -15.807 -7.012 93 H2* A 9 H2* A 9 9.124 -16.261 -8.604 94 2HO* A 9 HO2* A 9 9.358 -17.841 -10.004 95 H1* A 9 H1* A 9 8.201 -18.680 -7.488 96 H8 A 9 H8 A 9 8.315 -15.785 -5.047 97 1H6 A 9 1H6 A 9 2.771 -14.153 -7.164 98 2H6 A 9 2H6 A 9 3.982 -13.857 -5.936 99 H2 A 9 H2 A 9 4.366 -17.416 -9.812 100 1H5* U 10 2H5* U 10 11.136 -18.088 -11.103 101 2H5* U 10 1H5* U 10 11.923 -16.869 -12.126 102 H4* U 10 H4* U 10 9.723 -17.861 -13.001 103 H3* U 10 H3* U 10 10.400 -14.929 -12.760 104 H2* U 10 H2* U 10 8.240 -14.275 -13.415 105 2HO* U 10 HO2* U 10 7.530 -16.917 -14.157 106 H1* U 10 H1* U 10 6.763 -16.197 -12.157 107 H3 U 10 H3 U 10 5.723 -12.443 -9.882 108 H5 U 10 H5 U 10 9.707 -13.211 -8.766 109 H6 U 10 H6 U 10 9.747 -15.020 -10.380 110 1H5* G 11 2H5* G 11 8.319 -16.248 -16.589 111 2H5* G 11 1H5* G 11 8.707 -15.130 -17.914 112 H4* G 11 H4* G 11 6.202 -15.507 -17.307 113 H3* G 11 H3* G 11 7.581 -12.835 -17.728 114 H2* G 11 H2* G 11 5.606 -11.698 -17.199 115 2HO* G 11 HO2* G 11 3.709 -12.389 -17.892 116 H1* G 11 H1* G 11 4.472 -13.641 -15.470 117 H8 G 11 H8 G 11 7.902 -12.435 -14.455 118 H1 G 11 H1 G 11 3.247 -8.478 -12.644 119 1H2 G 11 1H2 G 11 1.335 -9.069 -13.600 120 2H2 G 11 2H2 G 11 1.208 -10.440 -14.680 121 1H5* U 12 2H5* U 12 3.528 -14.047 -19.674 122 2H5* U 12 1H5* U 12 3.430 -13.266 -21.265 123 H4* U 12 H4* U 12 1.313 -13.135 -19.881 124 H3* U 12 H3* U 12 2.761 -10.718 -20.985 125 H2* U 12 H2* U 12 1.224 -9.250 -19.943 126 2HO* U 12 HO2* U 12 -0.725 -10.158 -18.942 127 H1* U 12 H1* U 12 0.957 -10.535 -17.558 128 H3 U 12 H3 U 12 3.331 -6.801 -16.602 129 H5 U 12 H5 U 12 6.133 -9.377 -18.418 130 H6 U 12 H6 U 12 4.310 -10.892 -18.933 131 1H5* U 13 2H5* U 13 -1.590 -10.039 -20.702 132 2H5* U 13 1H5* U 13 -2.045 -9.178 -22.186 133 H4* U 13 H4* U 13 -2.521 -8.008 -19.927 134 H3* U 13 H3* U 13 -1.147 -6.812 -22.338 135 H2* U 13 H2* U 13 -0.509 -4.935 -21.155 136 2HO* U 13 HO2* U 13 -3.022 -5.308 -19.899 137 H1* U 13 H1* U 13 -0.978 -5.980 -18.478 138 H3 U 13 H3 U 13 2.680 -3.317 -18.028 139 H5 U 13 H5 U 13 3.959 -6.425 -20.573 140 H6 U 13 H6 U 13 1.681 -7.244 -20.617 141 1H5* C 14 2H5* C 14 -4.458 -4.325 -20.292 142 2H5* C 14 1H5* C 14 -5.126 -3.169 -21.460 143 H4* C 14 H4* C 14 -4.205 -2.242 -19.213 144 H3* C 14 H3* C 14 -3.550 -1.201 -21.988 145 H2* C 14 H2* C 14 -2.086 0.369 -21.073 146 2HO* C 14 HO2* C 14 -2.525 0.565 -18.514 147 H1* C 14 H1* C 14 -1.462 -1.040 -18.664 148 1H4 C 14 1H4 C 14 3.903 -0.308 -22.040 149 2H4 C 14 2H4 C 14 3.456 -1.668 -23.044 150 H5 C 14 H5 C 14 1.340 -2.799 -22.869 151 H6 C 14 H6 C 14 -0.807 -2.871 -21.695 152 1H5* A 15 2H5* A 15 -4.032 2.226 -23.895 153 2H5* A 15 1H5* A 15 -3.623 0.535 -23.537 154 H4* A 15 H4* A 15 -2.032 2.684 -22.173 155 H3* A 15 H3* A 15 -1.942 2.053 -25.141 156 H2* A 15 H2* A 15 0.408 2.079 -25.083 157 2HO* A 15 HO2* A 15 0.382 3.271 -22.496 158 H1* A 15 H1* A 15 0.748 1.062 -22.492 159 H8 A 15 H8 A 15 -1.456 -1.378 -24.071 160 1H6 A 15 1H6 A 15 3.261 -3.438 -27.455 161 2H6 A 15 2H6 A 15 1.625 -3.762 -26.929 162 H2 A 15 H2 A 15 4.486 0.457 -25.577 163 1H5* G 16 2H5* G 16 0.142 4.642 -25.029 164 2H5* G 16 1H5* G 16 0.357 6.113 -25.998 165 H4* G 16 H4* G 16 2.077 4.671 -26.736 166 H3* G 16 H3* G 16 -0.138 5.198 -28.536 167 H2* G 16 H2* G 16 -0.596 2.956 -29.028 168 2HO* G 16 HO2* G 16 0.962 2.089 -30.544 169 H1* G 16 H1* G 16 2.193 2.125 -28.210 170 H8 G 16 H8 G 16 2.122 -0.447 -28.114 171 H1 G 16 H1 G 16 -4.226 -0.667 -27.565 172 1H2 G 16 1H2 G 16 -5.051 1.389 -27.446 173 2H2 G 16 2H2 G 16 -4.035 2.813 -27.502 174 1H5* A 17 2H5* A 17 3.202 6.842 -27.878 175 2H5* A 17 1H5* A 17 3.482 7.278 -29.577 176 H4* A 17 H4* A 17 5.757 7.917 -29.122 177 H3* A 17 H3* A 17 5.472 6.136 -26.827 178 H2* A 17 H2* A 17 5.785 7.603 -25.056 179 2HO* A 17 HO2* A 17 7.216 9.421 -26.717 180 H1* A 17 H1* A 17 5.097 10.054 -26.039 181 H8 A 17 H8 A 17 3.607 6.510 -25.741 182 1H6 A 17 1H6 A 17 -1.099 9.193 -22.805 183 2H6 A 17 2H6 A 17 -0.397 7.667 -23.295 184 H2 A 17 H2 A 17 1.637 12.428 -24.305 185 1H5* A 18 2H5* A 18 10.618 7.234 -24.576 186 2H5* A 18 1H5* A 18 9.501 5.862 -24.425 187 H4* A 18 H4* A 18 9.217 8.681 -23.396 188 H3* A 18 H3* A 18 9.038 5.866 -22.301 189 H2* A 18 H2* A 18 7.317 6.478 -20.809 190 2HO* A 18 HO2* A 18 8.624 8.616 -20.470 191 H1* A 18 H1* A 18 5.911 8.175 -22.440 192 H8 A 18 H8 A 18 7.371 4.918 -23.895 193 1H6 A 18 1H6 A 18 1.877 2.403 -22.715 194 2H6 A 18 2H6 A 18 3.450 2.141 -23.436 195 H2 A 18 H2 A 18 1.874 6.586 -21.076 196 1H5* G 19 2H5* G 19 10.010 7.919 -18.847 197 2H5* G 19 1H5* G 19 10.909 6.933 -17.675 198 H4* G 19 H4* G 19 8.518 7.235 -17.037 199 H3* G 19 H3* G 19 9.591 4.467 -17.690 200 H2* G 19 H2* G 19 7.480 3.550 -17.194 201 2HO* G 19 HO2* G 19 6.419 4.289 -15.525 202 H1* G 19 H1* G 19 5.913 5.677 -18.116 203 H8 G 19 H8 G 19 8.613 4.435 -20.496 204 H1 G 19 H1 G 19 3.261 0.977 -20.706 205 1H2 G 19 1H2 G 19 1.881 1.617 -19.088 206 2H2 G 19 2H2 G 19 2.284 2.893 -17.962 207 1H5* A 20 2H5* A 20 7.557 5.605 -13.720 208 2H5* A 20 1H5* A 20 7.895 4.450 -12.415 209 H4* A 20 H4* A 20 5.432 5.084 -12.805 210 H3* A 20 H3* A 20 6.526 2.262 -12.633 211 H2* A 20 H2* A 20 4.350 1.388 -12.972 212 2HO* A 20 HO2* A 20 3.384 4.046 -12.563 213 H1* A 20 H1* A 20 3.540 3.097 -14.924 214 H8 A 20 H8 A 20 7.175 2.257 -15.452 215 1H6 A 20 1H6 A 20 5.323 -2.887 -18.269 216 2H6 A 20 2H6 A 20 6.689 -1.858 -17.917 217 H2 A 20 H2 A 20 1.734 -0.992 -16.331 218 1H5* A 21 2H5* A 21 2.612 2.538 -10.615 219 2H5* A 21 1H5* A 21 2.726 1.500 -9.180 220 H4* A 21 H4* A 21 0.884 0.957 -10.921 221 H3* A 21 H3* A 21 2.838 -0.960 -9.647 222 H2* A 21 H2* A 21 2.214 -2.698 -11.046 223 2HO* A 21 HO2* A 21 -0.300 -1.473 -11.578 224 H1* A 21 H1* A 21 1.101 -1.169 -13.197 225 H8 A 21 H8 A 21 4.776 -0.650 -12.607 226 1H6 A 21 1H6 A 21 5.824 -5.608 -16.087 227 2H6 A 21 2H6 A 21 6.555 -4.240 -15.279 228 H2 A 21 H2 A 21 1.405 -5.382 -15.283 229 1H5* C 22 2H5* C 22 -1.974 -2.107 -9.391 230 2H5* C 22 1H5* C 22 -1.988 -3.364 -8.137 231 H4* C 22 H4* C 22 -3.136 -3.893 -10.404 232 H3* C 22 H3* C 22 -1.160 -5.646 -8.918 233 H2* C 22 H2* C 22 -1.299 -7.279 -10.647 234 2HO* C 22 HO2* C 22 -3.079 -7.510 -11.777 235 H1* C 22 H1* C 22 -1.071 -5.604 -12.742 236 1H4 C 22 1H4 C 22 4.874 -7.195 -11.052 237 2H4 C 22 2H4 C 22 4.923 -5.839 -9.948 238 H5 C 22 H5 C 22 3.015 -4.440 -9.492 239 H6 C 22 H6 C 22 0.649 -4.038 -9.994 240 1H5* G 23 2H5* G 23 -4.369 -7.911 -10.539 241 2H5* G 23 1H5* G 23 -4.701 -9.382 -9.608 242 H4* G 23 H4* G 23 -3.901 -9.625 -12.080 243 H3* G 23 H3* G 23 -2.839 -11.139 -9.667 244 H2* G 23 H2* G 23 -1.317 -12.256 -11.044 245 2HO* G 23 HO2* G 23 -2.399 -11.453 -13.486 246 H1* G 23 H1* G 23 -0.896 -10.234 -12.925 247 H8 G 23 H8 G 23 -0.146 -8.773 -9.636 248 H1 G 23 H1 G 23 4.203 -13.147 -11.271 249 1H2 G 23 1H2 G 23 3.473 -14.328 -12.993 250 2H2 G 23 2H2 G 23 1.917 -14.040 -13.738 251 1H5* U 24 2H5* U 24 -3.257 -13.562 -13.697 252 2H5* U 24 1H5* U 24 -4.199 -14.938 -13.088 253 H4* U 24 H4* U 24 -2.310 -15.660 -14.534 254 H3* U 24 H3* U 24 -2.396 -16.440 -11.605 255 H2* U 24 H2* U 24 -0.355 -17.664 -11.885 256 2HO* U 24 HO2* U 24 -0.051 -17.077 -14.593 257 H1* U 24 H1* U 24 1.002 -15.770 -13.187 258 H3 U 24 H3 U 24 2.523 -15.300 -8.966 259 H5 U 24 H5 U 24 -1.308 -13.563 -8.866 260 H6 U 24 H6 U 24 -1.660 -14.372 -11.125 261 1H5* G 25 2H5* G 25 -1.668 -19.922 -13.409 262 2H5* G 25 1H5* G 25 -2.828 -21.223 -13.078 263 H4* G 25 H4* G 25 -0.758 -22.162 -12.462 264 H3* G 25 H3* G 25 -2.191 -20.997 -10.046 265 H2* G 25 H2* G 25 -0.399 -21.785 -8.682 266 2HO* G 25 HO2* G 25 0.405 -23.256 -10.997 267 H1* G 25 H1* G 25 1.636 -21.026 -10.334 268 H8 G 25 H8 G 25 -1.261 -18.535 -10.224 269 H1 G 25 H1 G 25 3.090 -17.659 -5.651 270 1H2 G 25 1H2 G 25 4.511 -19.360 -5.617 271 2H2 G 25 2H2 G 25 4.384 -20.712 -6.720 272 1H5* G 26 2H5* G 26 -1.380 -25.102 -8.605 273 2H5* G 26 1H5* G 26 -2.817 -25.483 -7.637 274 H4* G 26 H4* G 26 -0.661 -25.477 -6.328 275 H3* G 26 H3* G 26 -2.990 -23.652 -5.651 276 H2* G 26 H2* G 26 -1.770 -22.703 -3.901 277 2HO* G 26 HO2* G 26 -0.861 -25.267 -3.694 278 H1* G 26 H1* G 26 0.833 -23.090 -4.958 279 H8 G 26 H8 G 26 -1.609 -21.124 -7.090 280 H1 G 26 H1 G 26 1.290 -17.574 -2.657 281 1H2 G 26 1H2 G 26 2.423 -18.879 -1.266 282 2H2 G 26 2H2 G 26 2.465 -20.619 -1.435 283 1H5* U 27 2H5* U 27 -0.812 -25.828 -1.993 284 2H5* U 27 1H5* U 27 -2.261 -26.459 -1.184 285 H4* U 27 H4* U 27 -0.763 -25.461 0.471 286 H3* U 27 H3* U 27 -3.366 -24.010 -0.123 287 H2* U 27 H2* U 27 -2.809 -22.386 1.516 288 2HO* U 27 HO2* U 27 -1.609 -24.432 2.688 289 H1* U 27 H1* U 27 -0.176 -22.100 0.879 290 H3 U 27 H3 U 27 -1.874 -18.250 -0.714 291 H5 U 27 H5 U 27 -3.465 -21.175 -3.302 292 H6 U 27 H6 U 27 -2.490 -22.876 -1.868 293 1H5* A 28 2H5* A 28 -2.539 -23.555 4.171 294 2H5* A 28 1H5* A 28 -4.057 -24.082 4.921 295 H4* A 28 H4* A 28 -3.393 -21.829 5.703 296 H3* A 28 H3* A 28 -5.921 -22.208 4.075 297 H2* A 28 H2* A 28 -6.316 -19.917 4.060 298 2HO* A 28 HO2* A 28 -5.068 -18.596 5.728 299 H1* A 28 H1* A 28 -3.666 -19.001 4.303 300 H8 A 28 H8 A 28 -4.630 -21.272 1.386 301 1H6 A 28 1H6 A 28 -5.641 -16.086 -1.776 302 2H6 A 28 2H6 A 28 -5.537 -17.828 -1.879 303 H2 A 28 H2 A 28 -4.855 -14.979 2.507 304 1H5* U 29 2H5* U 29 -5.754 -19.508 7.879 305 2H5* U 29 1H5* U 29 -7.208 -19.966 8.788 306 H4* U 29 H4* U 29 -6.977 -17.573 8.953 307 H3* U 29 H3* U 29 -9.150 -18.529 7.056 308 H2* U 29 H2* U 29 -9.741 -16.250 6.666 309 2HO* U 29 HO2* U 29 -7.976 -15.643 8.833 310 H1* U 29 H1* U 29 -7.231 -15.296 6.345 311 H3 U 29 H3 U 29 -8.785 -15.467 2.102 312 H5 U 29 H5 U 29 -8.138 -19.505 3.102 313 H6 U 29 H6 U 29 -7.645 -18.800 5.373 314 1H5* C 30 2H5* C 30 -10.258 -14.958 8.674 315 2H5* C 30 1H5* C 30 -11.861 -15.115 9.416 316 H4* C 30 H4* C 30 -11.871 -13.263 7.820 317 H3* C 30 H3* C 30 -13.416 -15.758 7.011 318 H2* C 30 H2* C 30 -14.172 -14.576 5.102 319 2HO* C 30 HO2* C 30 -13.090 -12.115 5.560 320 H1* C 30 H1* C 30 -11.807 -13.227 4.581 321 1H4 C 30 1H4 C 30 -12.007 -18.067 0.464 322 2H4 C 30 2H4 C 30 -11.633 -19.206 1.738 323 H5 C 30 H5 C 30 -11.426 -18.578 4.050 324 H6 C 30 H6 C 30 -11.535 -16.725 5.646 325 1H5* U 31 2H5* U 31 -15.674 -12.207 5.911 326 2H5* U 31 1H5* U 31 -17.376 -12.646 6.145 327 H4* U 31 H4* U 31 -16.616 -12.046 3.747 328 H3* U 31 H3* U 31 -18.259 -14.417 4.624 329 H2* U 31 H2* U 31 -17.931 -15.534 2.641 330 2HO* U 31 HO2* U 31 -19.146 -13.519 1.771 331 H1* U 31 H1* U 31 -15.897 -13.734 1.526 332 H3 U 31 H3 U 31 -14.904 -17.738 -0.351 333 H5 U 31 H5 U 31 -14.442 -18.397 3.772 334 H6 U 31 H6 U 31 -15.288 -16.165 4.168 335 1H5* C 32 2H5* C 32 -20.188 -12.042 0.974 336 2H5* C 32 1H5* C 32 -21.900 -12.512 0.936 337 H4* C 32 H4* C 32 -20.464 -12.914 -1.197 338 H3* C 32 H3* C 32 -22.199 -15.010 0.149 339 H2* C 32 H2* C 32 -21.684 -16.495 -1.573 340 2HO* C 32 HO2* C 32 -20.362 -15.022 -3.377 341 H1* C 32 H1* C 32 -19.073 -15.501 -2.058 342 1H4 C 32 1H4 C 32 -18.604 -21.337 0.466 343 2H4 C 32 2H4 C 32 -18.718 -20.649 2.070 344 H5 C 32 H5 C 32 -19.170 -18.313 2.478 345 H6 C 32 H6 C 32 -19.607 -16.146 1.433 346 H3T C 32 H3T C 32 -23.118 -14.254 -2.180 347 1H GLY 364 1HT GLY 364 -11.780 1.691 -17.808 348 2H GLY 364 2HT GLY 364 -13.023 2.709 -17.279 349 3H GLY 364 3HT GLY 364 -11.645 2.489 -16.322 350 1HA GLY 364 1HA GLY 364 -12.062 4.213 -18.613 351 2HA GLY 364 2HA GLY 364 -11.002 4.427 -17.228 352 H SER 365 H SER 365 -9.400 5.158 -18.751 353 HA SER 365 HA SER 365 -7.577 3.113 -19.478 354 1HB SER 365 2HB SER 365 -7.626 3.241 -21.865 355 2HB SER 365 1HB SER 365 -9.286 2.953 -21.343 356 HG SER 365 HG SER 365 -9.439 4.595 -22.769 357 H LEU 366 H LEU 366 -7.151 5.185 -17.880 358 HA LEU 366 HA LEU 366 -5.603 7.109 -19.494 359 1HB LEU 366 2HB LEU 366 -6.649 7.521 -16.697 360 2HB LEU 366 1HB LEU 366 -5.888 8.720 -17.721 361 HG LEU 366 HG LEU 366 -8.665 7.722 -17.713 362 1HD1 LEU 366 1HD1 LEU 366 -8.814 10.173 -18.687 363 2HD1 LEU 366 2HD1 LEU 366 -7.199 10.293 -17.988 364 3HD1 LEU 366 3HD1 LEU 366 -8.575 9.879 -16.964 365 1HD2 LEU 366 1HD2 LEU 366 -8.662 8.763 -20.178 366 2HD2 LEU 366 2HD2 LEU 366 -8.487 7.037 -19.868 367 3HD2 LEU 366 3HD2 LEU 366 -7.058 8.025 -20.182 368 H ASP 367 H ASP 367 -5.675 5.105 -16.629 369 HA ASP 367 HA ASP 367 -3.651 5.456 -15.104 370 1HB ASP 367 2HB ASP 367 -2.962 2.876 -15.887 371 2HB ASP 367 1HB ASP 367 -4.139 3.321 -14.656 372 H MET 368 H MET 368 -2.892 3.950 -18.267 373 HA MET 368 HA MET 368 -0.157 4.023 -18.094 374 1HB MET 368 2HB MET 368 -0.090 3.560 -20.335 375 2HB MET 368 1HB MET 368 -1.766 3.166 -19.992 376 1HG MET 368 2HG MET 368 -0.986 5.884 -20.974 377 2HG MET 368 1HG MET 368 -1.216 4.539 -22.083 378 1HE MET 368 1HE MET 368 -3.794 6.767 -22.844 379 2HE MET 368 2HE MET 368 -2.351 7.256 -21.952 380 3HE MET 368 3HE MET 368 -3.954 7.507 -21.249 381 H ASN 369 H ASN 369 -2.252 6.653 -19.318 382 HA ASN 369 HA ASN 369 -0.111 8.448 -19.778 383 1HB ASN 369 2HB ASN 369 -1.726 10.118 -20.154 384 2HB ASN 369 1HB ASN 369 -2.467 8.628 -20.719 385 1HD2 ASN 369 1HD2 ASN 369 -2.175 10.665 -17.877 386 2HD2 ASN 369 2HD2 ASN 369 -3.763 10.376 -17.301 387 H ALA 370 H ALA 370 -1.861 7.485 -16.970 388 HA ALA 370 HA ALA 370 -1.378 9.693 -15.311 389 1HB ALA 370 1HB ALA 370 -2.875 7.737 -14.779 390 2HB ALA 370 2HB ALA 370 -1.832 8.268 -13.460 391 3HB ALA 370 3HB ALA 370 -1.417 6.826 -14.386 392 H LYS 371 H LYS 371 0.365 6.580 -15.142 393 HA LYS 371 HA LYS 371 2.576 7.463 -13.748 394 1HB LYS 371 2HB LYS 371 2.946 5.507 -15.996 395 2HB LYS 371 1HB LYS 371 3.650 5.487 -14.385 396 1HG LYS 371 2HG LYS 371 2.118 4.003 -13.806 397 2HG LYS 371 1HG LYS 371 0.889 5.253 -13.997 398 1HD LYS 371 2HD LYS 371 0.223 4.476 -16.034 399 2HD LYS 371 1HD LYS 371 1.831 3.887 -16.455 400 1HE LYS 371 2HE LYS 371 0.348 2.012 -16.162 401 2HE LYS 371 1HE LYS 371 1.532 2.028 -14.856 402 1HZ LYS 371 1HZ LYS 371 -1.252 3.047 -14.658 403 2HZ LYS 371 2HZ LYS 371 -0.118 3.008 -13.404 404 3HZ LYS 371 3HZ LYS 371 -0.708 1.562 -14.055 405 H ARG 372 H ARG 372 1.745 7.778 -17.104 406 HA ARG 372 HA ARG 372 4.175 8.624 -18.202 407 1HB ARG 372 2HB ARG 372 1.675 8.169 -19.165 408 2HB ARG 372 1HB ARG 372 1.698 9.926 -19.176 409 1HG ARG 372 2HG ARG 372 3.980 8.449 -20.396 410 2HG ARG 372 1HG ARG 372 2.447 8.554 -21.268 411 1HD ARG 372 2HD ARG 372 2.667 10.771 -21.657 412 2HD ARG 372 1HD ARG 372 3.449 11.076 -20.107 413 HE ARG 372 HE ARG 372 5.391 9.809 -21.381 414 1HH1 ARG 372 1HH1 ARG 372 3.259 12.325 -22.499 415 2HH1 ARG 372 2HH1 ARG 372 4.410 12.982 -23.615 416 1HH2 ARG 372 1HH2 ARG 372 6.912 10.662 -22.849 417 2HH2 ARG 372 2HH2 ARG 372 6.488 12.036 -23.813 418 H GLN 373 H GLN 373 1.516 10.441 -16.745 419 HA GLN 373 HA GLN 373 2.575 13.013 -17.097 420 1HB GLN 373 2HB GLN 373 0.260 11.881 -16.011 421 2HB GLN 373 1HB GLN 373 0.996 12.757 -14.676 422 1HG GLN 373 2HG GLN 373 0.049 13.815 -17.315 423 2HG GLN 373 1HG GLN 373 -0.451 14.286 -15.690 424 1HE2 GLN 373 1HE2 GLN 373 1.926 14.646 -14.437 425 2HE2 GLN 373 2HE2 GLN 373 2.789 15.955 -15.162 426 H LEU 374 H LEU 374 2.762 10.775 -14.364 427 HA LEU 374 HA LEU 374 4.041 12.449 -12.570 428 1HB LEU 374 2HB LEU 374 4.832 9.593 -12.543 429 2HB LEU 374 1HB LEU 374 4.304 10.627 -11.230 430 HG LEU 374 HG LEU 374 2.555 9.278 -13.284 431 1HD1 LEU 374 1HD1 LEU 374 3.588 8.191 -11.065 432 2HD1 LEU 374 2HD1 LEU 374 1.985 7.789 -11.685 433 3HD1 LEU 374 3HD1 LEU 374 2.158 8.960 -10.379 434 1HD2 LEU 374 1HD2 LEU 374 0.865 10.334 -11.446 435 2HD2 LEU 374 2HD2 LEU 374 1.233 11.070 -13.006 436 3HD2 LEU 374 3HD2 LEU 374 2.087 11.600 -11.556 437 H TYR 375 H TYR 375 5.754 9.809 -14.274 438 HA TYR 375 HA TYR 375 8.254 11.154 -13.762 439 1HB TYR 375 2HB TYR 375 7.526 8.516 -14.995 440 2HB TYR 375 1HB TYR 375 9.180 9.119 -15.023 441 HD1 TYR 375 HD1 TYR 375 9.470 6.847 -13.766 442 HD2 TYR 375 HD2 TYR 375 7.501 10.241 -12.118 443 HE1 TYR 375 HE1 TYR 375 9.831 5.952 -11.502 444 HE2 TYR 375 HE2 TYR 375 7.858 9.355 -9.851 445 HH TYR 375 HH TYR 375 8.429 6.411 -9.094 446 H SER 376 H SER 376 6.233 10.603 -16.610 447 HA SER 376 HA SER 376 8.297 11.551 -18.386 448 1HB SER 376 2HB SER 376 6.159 9.934 -18.785 449 2HB SER 376 1HB SER 376 5.526 11.462 -19.398 450 HG SER 376 HG SER 376 8.034 11.096 -20.280 451 H LEU 377 H LEU 377 5.761 13.024 -16.551 452 HA LEU 377 HA LEU 377 6.269 15.537 -18.009 453 1HB LEU 377 2HB LEU 377 3.701 14.479 -16.864 454 2HB LEU 377 1HB LEU 377 3.930 16.185 -17.191 455 HG LEU 377 HG LEU 377 2.731 14.881 -18.984 456 1HD1 LEU 377 1HD1 LEU 377 4.973 16.733 -19.272 457 2HD1 LEU 377 2HD1 LEU 377 3.357 16.786 -19.978 458 3HD1 LEU 377 3HD1 LEU 377 4.618 15.807 -20.731 459 1HD2 LEU 377 1HD2 LEU 377 4.444 12.947 -18.686 460 2HD2 LEU 377 2HD2 LEU 377 5.417 13.883 -19.820 461 3HD2 LEU 377 3HD2 LEU 377 3.816 13.319 -20.292 462 H ILE 378 H ILE 378 6.632 13.935 -15.116 463 HA ILE 378 HA ILE 378 7.198 16.450 -13.761 464 HB ILE 378 HB ILE 378 5.520 14.365 -12.373 465 1HG1 ILE 378 2HG1 ILE 378 4.363 15.402 -14.352 466 2HG1 ILE 378 1HG1 ILE 378 3.579 15.688 -12.802 467 1HG2 ILE 378 1HG2 ILE 378 5.297 17.076 -11.430 468 2HG2 ILE 378 2HG2 ILE 378 6.986 16.561 -11.445 469 3HG2 ILE 378 3HG2 ILE 378 5.787 15.623 -10.554 470 1HD1 ILE 378 1HD1 ILE 378 3.924 17.904 -12.893 471 2HD1 ILE 378 2HD1 ILE 378 4.053 17.601 -14.626 472 3HD1 ILE 378 3HD1 ILE 378 5.513 17.737 -13.643 473 H GLY 379 H GLY 379 7.010 13.990 -11.482 474 1HA GLY 379 2HA GLY 379 9.104 13.613 -10.236 475 2HA GLY 379 1HA GLY 379 8.630 12.186 -11.137 476 H TYR 380 H TYR 380 10.528 15.169 -11.541 477 HA TYR 380 HA TYR 380 12.206 13.926 -13.537 478 1HB TYR 380 2HB TYR 380 13.483 16.265 -12.871 479 2HB TYR 380 1HB TYR 380 12.279 16.082 -14.138 480 HD1 TYR 380 HD1 TYR 380 9.896 16.655 -13.652 481 HD2 TYR 380 HD2 TYR 380 13.042 17.585 -10.945 482 HE1 TYR 380 HE1 TYR 380 8.440 18.274 -12.524 483 HE2 TYR 380 HE2 TYR 380 11.590 19.202 -9.802 484 HH TYR 380 HH TYR 380 9.344 19.793 -9.528 485 H ALA 381 H ALA 381 13.277 15.792 -10.743 486 HA ALA 381 HA ALA 381 14.469 13.961 -9.150 487 1HB ALA 381 1HB ALA 381 16.041 12.949 -10.372 488 2HB ALA 381 2HB ALA 381 16.929 14.470 -10.305 489 3HB ALA 381 3HB ALA 381 15.886 14.118 -11.682 490 H SER 382 H SER 382 13.393 16.341 -8.720 491 HA SER 382 HA SER 382 15.589 17.854 -7.548 492 1HB SER 382 2HB SER 382 14.402 18.715 -9.934 493 2HB SER 382 1HB SER 382 13.685 19.721 -8.676 494 HG SER 382 HG SER 382 15.512 20.730 -8.504 495 H LEU 383 H LEU 383 12.807 16.329 -7.050 496 HA LEU 383 HA LEU 383 12.231 17.841 -4.655 497 1HB LEU 383 2HB LEU 383 9.859 18.084 -5.090 498 2HB LEU 383 1HB LEU 383 10.794 18.927 -6.308 499 HG LEU 383 HG LEU 383 9.048 17.911 -7.489 500 1HD1 LEU 383 1HD1 LEU 383 11.129 15.793 -7.820 501 2HD1 LEU 383 2HD1 LEU 383 11.467 17.463 -8.282 502 3HD1 LEU 383 3HD1 LEU 383 10.135 16.590 -9.040 503 1HD2 LEU 383 1HD2 LEU 383 8.211 15.739 -7.169 504 2HD2 LEU 383 2HD2 LEU 383 8.456 16.390 -5.549 505 3HD2 LEU 383 3HD2 LEU 383 9.617 15.248 -6.225 506 H ARG 384 H ARG 384 13.120 15.136 -5.691 507 HA ARG 384 HA ARG 384 12.663 12.887 -5.394 508 1HB ARG 384 2HB ARG 384 13.830 13.711 -3.361 509 2HB ARG 384 1HB ARG 384 12.268 13.962 -2.600 510 1HG ARG 384 2HG ARG 384 12.373 11.893 -1.841 511 2HG ARG 384 1HG ARG 384 12.231 11.324 -3.505 512 1HD ARG 384 2HD ARG 384 14.868 11.972 -3.378 513 2HD ARG 384 1HD ARG 384 14.569 11.423 -1.730 514 HE ARG 384 HE ARG 384 14.454 9.826 -4.159 515 1HH1 ARG 384 1HH1 ARG 384 13.863 10.033 -0.730 516 2HH1 ARG 384 2HH1 ARG 384 13.815 8.318 -0.507 517 1HH2 ARG 384 1HH2 ARG 384 14.387 7.570 -3.871 518 2HH2 ARG 384 2HH2 ARG 384 14.112 6.919 -2.289 519 H LEU 385 H LEU 385 10.513 12.976 -6.601 520 HA LEU 385 HA LEU 385 8.078 13.176 -5.187 521 1HB LEU 385 2HB LEU 385 8.634 12.880 -7.795 522 2HB LEU 385 1HB LEU 385 8.251 11.211 -7.408 523 HG LEU 385 HG LEU 385 6.231 12.873 -6.276 524 1HD1 LEU 385 1HD1 LEU 385 6.974 13.490 -9.113 525 2HD1 LEU 385 2HD1 LEU 385 6.701 14.605 -7.774 526 3HD1 LEU 385 3HD1 LEU 385 5.343 13.732 -8.485 527 1HD2 LEU 385 1HD2 LEU 385 5.496 10.778 -6.763 528 2HD2 LEU 385 2HD2 LEU 385 6.459 10.661 -8.239 529 3HD2 LEU 385 3HD2 LEU 385 4.964 11.596 -8.233 530 H HIS 386 H HIS 386 7.533 11.974 -3.473 531 HA HIS 386 HA HIS 386 8.465 9.191 -3.433 532 1HB HIS 386 2HB HIS 386 9.301 11.130 -1.796 533 2HB HIS 386 1HB HIS 386 7.884 10.599 -0.898 534 HD1 HIS 386 HD1 HIS 386 11.154 10.190 -0.462 535 HD2 HIS 386 HD2 HIS 386 8.209 7.371 -1.257 536 HE1 HIS 386 HE1 HIS 386 12.059 8.018 0.397 537 HE2 HIS 386 HE2 HIS 386 10.314 6.300 -0.199 538 H TYR 387 H TYR 387 6.714 7.991 -3.975 539 HA TYR 387 HA TYR 387 4.100 8.528 -2.879 540 1HB TYR 387 2HB TYR 387 5.311 6.378 -4.581 541 2HB TYR 387 1HB TYR 387 3.802 6.040 -3.736 542 HD1 TYR 387 HD1 TYR 387 1.785 6.665 -4.694 543 HD2 TYR 387 HD2 TYR 387 5.381 8.503 -6.001 544 HE1 TYR 387 HE1 TYR 387 0.536 7.808 -6.470 545 HE2 TYR 387 HE2 TYR 387 4.169 9.652 -7.774 546 HH TYR 387 HH TYR 387 2.203 9.934 -8.793 547 H VAL 388 H VAL 388 3.029 6.758 -1.520 548 HA VAL 388 HA VAL 388 4.910 5.184 0.018 549 HB VAL 388 HB VAL 388 3.091 6.639 1.814 550 1HG1 VAL 388 1HG1 VAL 388 6.013 6.523 2.218 551 2HG1 VAL 388 2HG1 VAL 388 5.171 4.976 2.124 552 3HG1 VAL 388 3HG1 VAL 388 4.697 6.165 3.338 553 1HG2 VAL 388 1HG2 VAL 388 4.288 8.282 0.001 554 2HG2 VAL 388 2HG2 VAL 388 5.515 8.207 1.255 555 3HG2 VAL 388 3HG2 VAL 388 3.880 8.742 1.647 556 H THR 389 H THR 389 3.732 3.831 1.680 557 HA THR 389 HA THR 389 1.027 3.166 0.737 558 HB THR 389 HB THR 389 3.333 1.279 1.166 559 HG1 THR 389 HG1 THR 389 3.148 1.791 -0.964 560 1HG2 THR 389 1HG2 THR 389 0.431 0.496 0.903 561 2HG2 THR 389 2HG2 THR 389 1.343 0.456 2.413 562 3HG2 THR 389 3HG2 THR 389 1.811 -0.589 1.069 563 H VAL 390 H VAL 390 -0.357 3.336 2.341 564 HA VAL 390 HA VAL 390 0.500 2.511 5.028 565 HB VAL 390 HB VAL 390 -0.749 4.327 6.035 566 1HG1 VAL 390 1HG1 VAL 390 1.638 4.640 5.302 567 2HG1 VAL 390 2HG1 VAL 390 0.713 6.127 5.516 568 3HG1 VAL 390 3HG1 VAL 390 1.014 5.500 3.894 569 1HG2 VAL 390 1HG2 VAL 390 -2.316 4.396 3.934 570 2HG2 VAL 390 2HG2 VAL 390 -1.187 5.639 3.395 571 3HG2 VAL 390 3HG2 VAL 390 -2.063 5.839 4.915 572 H LYS 391 H LYS 391 -1.167 1.730 6.391 573 HA LYS 391 HA LYS 391 -3.032 0.543 6.899 574 1HB LYS 391 2HB LYS 391 -4.014 2.718 5.699 575 2HB LYS 391 1HB LYS 391 -4.540 1.513 4.530 576 1HG LYS 391 2HG LYS 391 -5.168 1.503 7.476 577 2HG LYS 391 1HG LYS 391 -6.271 1.970 6.180 578 1HD LYS 391 2HD LYS 391 -5.787 -0.388 5.237 579 2HD LYS 391 1HD LYS 391 -5.189 -0.743 6.858 580 1HE LYS 391 2HE LYS 391 -7.570 0.465 7.399 581 2HE LYS 391 1HE LYS 391 -7.934 -0.376 5.894 582 1HZ LYS 391 1HZ LYS 391 -7.920 -2.334 6.922 583 2HZ LYS 391 2HZ LYS 391 -7.956 -1.477 8.379 584 3HZ LYS 391 3HZ LYS 391 -6.479 -2.004 7.747 585 H LYS 392 H LYS 392 -1.341 -1.078 5.899 586 HA LYS 392 HA LYS 392 -1.712 -2.256 3.414 587 1HB LYS 392 2HB LYS 392 -0.815 -3.458 6.035 588 2HB LYS 392 1HB LYS 392 -0.781 -4.341 4.515 589 1HG LYS 392 2HG LYS 392 1.319 -3.569 4.401 590 2HG LYS 392 1HG LYS 392 0.546 -2.097 3.811 591 1HD LYS 392 2HD LYS 392 0.648 -1.081 5.953 592 2HD LYS 392 1HD LYS 392 1.088 -2.604 6.730 593 1HE LYS 392 2HE LYS 392 2.918 -1.783 4.600 594 2HE LYS 392 1HE LYS 392 2.842 -0.649 5.948 595 1HZ LYS 392 1HZ LYS 392 3.890 -2.071 7.295 596 2HZ LYS 392 2HZ LYS 392 4.377 -2.859 5.880 597 3HZ LYS 392 3HZ LYS 392 3.031 -3.419 6.737 598 HA PRO 393 HA PRO 393 -5.720 -4.078 3.515 599 1HB PRO 393 2HB PRO 393 -5.131 -6.323 1.978 600 2HB PRO 393 1HB PRO 393 -5.623 -4.748 1.354 601 1HG PRO 393 2HG PRO 393 -2.902 -5.929 1.595 602 2HG PRO 393 1HG PRO 393 -3.564 -4.877 0.333 603 1HD PRO 393 2HD PRO 393 -1.881 -3.950 2.216 604 2HD PRO 393 1HD PRO 393 -3.207 -2.954 1.574 605 H THR 394 H THR 394 -6.560 -6.555 3.620 606 HA THR 394 HA THR 394 -4.990 -8.179 5.432 607 HB THR 394 HB THR 394 -6.724 -8.213 7.213 608 HG1 THR 394 HG1 THR 394 -7.775 -6.011 5.736 609 1HG2 THR 394 1HG2 THR 394 -5.715 -5.410 6.786 610 2HG2 THR 394 2HG2 THR 394 -4.659 -6.741 7.259 611 3HG2 THR 394 3HG2 THR 394 -5.989 -6.252 8.310 612 H ALA 395 H ALA 395 -8.507 -7.974 5.192 613 HA ALA 395 HA ALA 395 -9.089 -9.750 3.202 614 1HB ALA 395 1HB ALA 395 -9.512 -11.785 4.947 615 2HB ALA 395 2HB ALA 395 -7.996 -11.122 5.555 616 3HB ALA 395 3HB ALA 395 -8.115 -11.658 3.879 617 H VAL 396 H VAL 396 -9.777 -8.527 6.356 618 HA VAL 396 HA VAL 396 -12.648 -8.896 5.877 619 HB VAL 396 HB VAL 396 -12.762 -8.423 8.449 620 1HG1 VAL 396 1HG1 VAL 396 -11.821 -11.106 8.371 621 2HG1 VAL 396 2HG1 VAL 396 -12.668 -10.770 6.863 622 3HG1 VAL 396 3HG1 VAL 396 -13.485 -10.523 8.405 623 1HG2 VAL 396 1HG2 VAL 396 -9.966 -9.516 8.149 624 2HG2 VAL 396 2HG2 VAL 396 -10.838 -9.331 9.671 625 3HG2 VAL 396 3HG2 VAL 396 -10.397 -7.908 8.729 626 H ASP 397 H ASP 397 -10.233 -6.780 5.758 627 HA ASP 397 HA ASP 397 -11.761 -4.523 5.299 628 1HB ASP 397 2HB ASP 397 -11.177 -4.980 8.114 629 2HB ASP 397 1HB ASP 397 -10.511 -3.450 7.551 630 HA PRO 398 HA PRO 398 -7.183 -4.954 4.120 631 1HB PRO 398 2HB PRO 398 -7.840 -4.489 1.447 632 2HB PRO 398 1HB PRO 398 -7.510 -6.067 2.161 633 1HG PRO 398 2HG PRO 398 -10.123 -4.747 1.597 634 2HG PRO 398 1HG PRO 398 -9.675 -6.459 1.469 635 1HD PRO 398 2HD PRO 398 -11.142 -5.558 3.515 636 2HD PRO 398 1HD PRO 398 -9.912 -6.819 3.752 637 H ASN 399 H ASN 399 -9.091 -3.054 1.917 638 HA ASN 399 HA ASN 399 -8.825 -0.906 1.147 639 1HB ASN 399 2HB ASN 399 -9.643 -0.878 3.881 640 2HB ASN 399 1HB ASN 399 -8.597 0.506 3.599 641 1HD2 ASN 399 1HD2 ASN 399 -11.062 -1.200 1.695 642 2HD2 ASN 399 2HD2 ASN 399 -11.983 0.211 1.311 643 H SER 400 H SER 400 -7.083 -0.148 0.198 644 HA SER 400 HA SER 400 -4.637 0.194 1.801 645 1HB SER 400 2HB SER 400 -3.969 -1.321 0.187 646 2HB SER 400 1HB SER 400 -5.073 -0.676 -1.027 647 HG SER 400 HG SER 400 -2.498 -0.091 -0.641 648 H ILE 401 H ILE 401 -4.192 2.233 2.257 649 HA ILE 401 HA ILE 401 -5.105 4.317 0.415 650 HB ILE 401 HB ILE 401 -6.094 4.844 2.405 651 1HG1 ILE 401 2HG1 ILE 401 -4.772 6.677 3.512 652 2HG1 ILE 401 1HG1 ILE 401 -3.398 6.198 2.520 653 1HG2 ILE 401 1HG2 ILE 401 -4.498 4.752 4.571 654 2HG2 ILE 401 2HG2 ILE 401 -3.864 3.412 3.623 655 3HG2 ILE 401 3HG2 ILE 401 -5.568 3.448 4.059 656 1HD1 ILE 401 1HD1 ILE 401 -4.417 6.924 0.557 657 2HD1 ILE 401 2HD1 ILE 401 -4.821 8.165 1.744 658 3HD1 ILE 401 3HD1 ILE 401 -6.020 6.954 1.292 659 H VAL 402 H VAL 402 -3.547 4.813 -0.937 660 HA VAL 402 HA VAL 402 -0.758 4.646 -0.291 661 HB VAL 402 HB VAL 402 -1.581 6.140 -2.718 662 1HG1 VAL 402 1HG1 VAL 402 0.724 5.582 -2.438 663 2HG1 VAL 402 2HG1 VAL 402 0.081 4.578 -3.737 664 3HG1 VAL 402 3HG1 VAL 402 0.336 3.889 -2.134 665 1HG2 VAL 402 1HG2 VAL 402 -2.619 3.445 -2.080 666 2HG2 VAL 402 2HG2 VAL 402 -1.950 3.672 -3.696 667 3HG2 VAL 402 3HG2 VAL 402 -3.272 4.696 -3.138 668 H GLU 403 H GLU 403 0.717 6.470 -0.520 669 HA GLU 403 HA GLU 403 -0.499 9.081 0.113 670 1HB GLU 403 2HB GLU 403 0.518 7.781 2.115 671 2HB GLU 403 1HB GLU 403 2.069 8.165 1.381 672 1HG GLU 403 2HG GLU 403 1.770 9.869 2.911 673 2HG GLU 403 1HG GLU 403 1.237 10.596 1.396 674 H CYS 404 H CYS 404 -0.207 9.736 -1.988 675 HA CYS 404 HA CYS 404 2.447 9.683 -3.147 676 1HB CYS 404 2HB CYS 404 0.352 11.425 -4.325 677 2HB CYS 404 1HB CYS 404 1.455 10.305 -5.114 678 HG CYS 404 HG CYS 404 -1.358 9.633 -4.094 679 H ARG 405 H ARG 405 3.905 11.060 -2.456 680 HA ARG 405 HA ARG 405 3.307 13.869 -2.141 681 1HB ARG 405 2HB ARG 405 3.799 14.095 0.131 682 2HB ARG 405 1HB ARG 405 2.781 12.662 0.073 683 1HG ARG 405 2HG ARG 405 5.092 11.425 -0.098 684 2HG ARG 405 1HG ARG 405 5.685 12.906 0.657 685 1HD ARG 405 2HD ARG 405 3.961 12.619 2.428 686 2HD ARG 405 1HD ARG 405 3.538 11.067 1.706 687 HE ARG 405 HE ARG 405 5.446 10.155 2.606 688 1HH1 ARG 405 1HH1 ARG 405 5.556 13.624 2.892 689 2HH1 ARG 405 2HH1 ARG 405 6.950 13.625 3.921 690 1HH2 ARG 405 1HH2 ARG 405 7.279 10.146 3.964 691 2HH2 ARG 405 2HH2 ARG 405 7.928 11.648 4.530 692 H VAL 406 H VAL 406 5.401 15.062 -1.528 693 HA VAL 406 HA VAL 406 7.706 13.628 -2.669 694 HB VAL 406 HB VAL 406 8.403 15.648 -3.819 695 1HG1 VAL 406 1HG1 VAL 406 6.001 14.185 -4.407 696 2HG1 VAL 406 2HG1 VAL 406 7.243 14.789 -5.505 697 3HG1 VAL 406 3HG1 VAL 406 5.897 15.828 -5.039 698 1HG2 VAL 406 1HG2 VAL 406 5.951 16.834 -2.553 699 2HG2 VAL 406 2HG2 VAL 406 6.731 17.553 -3.964 700 3HG2 VAL 406 3HG2 VAL 406 7.619 17.397 -2.448 701 H GLY 407 H GLY 407 9.459 13.630 -1.458 702 1HA GLY 407 2HA GLY 407 9.778 14.364 1.074 703 2HA GLY 407 1HA GLY 407 11.116 14.438 -0.055 704 H ASP 408 H ASP 408 9.994 16.630 -1.613 705 HA ASP 408 HA ASP 408 11.135 18.788 -0.249 706 1HB ASP 408 2HB ASP 408 10.936 18.816 -2.665 707 2HB ASP 408 1HB ASP 408 9.178 18.768 -2.558 708 H GLY 409 H GLY 409 7.901 17.520 -0.267 709 1HA GLY 409 2HA GLY 409 6.608 18.001 1.775 710 2HA GLY 409 1HA GLY 409 7.095 19.679 1.580 711 H THR 410 H THR 410 5.880 17.300 -0.752 712 HA THR 410 HA THR 410 3.466 18.919 -1.120 713 HB THR 410 HB THR 410 4.828 17.984 -3.591 714 HG1 THR 410 HG1 THR 410 6.051 19.906 -3.678 715 1HG2 THR 410 1HG2 THR 410 2.532 19.334 -3.112 716 2HG2 THR 410 2HG2 THR 410 3.442 19.420 -4.620 717 3HG2 THR 410 3HG2 THR 410 3.653 20.666 -3.391 718 H VAL 411 H VAL 411 1.855 17.525 -0.813 719 HA VAL 411 HA VAL 411 2.026 14.728 -0.957 720 HB VAL 411 HB VAL 411 -0.495 16.344 -1.299 721 1HG1 VAL 411 1HG1 VAL 411 -1.243 14.256 0.137 722 2HG1 VAL 411 2HG1 VAL 411 0.157 13.517 -0.642 723 3HG1 VAL 411 3HG1 VAL 411 -1.153 14.177 -1.622 724 1HG2 VAL 411 1HG2 VAL 411 0.673 17.206 0.625 725 2HG2 VAL 411 2HG2 VAL 411 0.980 15.573 1.216 726 3HG2 VAL 411 3HG2 VAL 411 -0.668 16.200 1.174 727 H LEU 412 H LEU 412 0.172 16.814 -3.280 728 HA LEU 412 HA LEU 412 0.017 16.601 -5.548 729 1HB LEU 412 2HB LEU 412 1.474 13.961 -5.352 730 2HB LEU 412 1HB LEU 412 1.094 14.850 -6.806 731 HG LEU 412 HG LEU 412 3.063 15.851 -6.729 732 1HD1 LEU 412 1HD1 LEU 412 2.572 16.760 -3.910 733 2HD1 LEU 412 2HD1 LEU 412 1.850 17.537 -5.312 734 3HD1 LEU 412 3HD1 LEU 412 3.602 17.506 -5.126 735 1HD2 LEU 412 1HD2 LEU 412 4.293 15.217 -4.306 736 2HD2 LEU 412 2HD2 LEU 412 4.488 14.401 -5.853 737 3HD2 LEU 412 3HD2 LEU 412 3.283 13.830 -4.702 738 H GLY 413 H GLY 413 -0.407 13.672 -3.547 739 1HA GLY 413 2HA GLY 413 -3.138 13.525 -3.841 740 2HA GLY 413 1HA GLY 413 -2.502 12.653 -5.224 741 H THR 414 H THR 414 -4.047 11.233 -3.708 742 HA THR 414 HA THR 414 -2.241 9.350 -2.392 743 HB THR 414 HB THR 414 -2.999 10.304 -0.427 744 HG1 THR 414 HG1 THR 414 -5.267 8.667 -0.734 745 1HG2 THR 414 1HG2 THR 414 -5.150 11.279 -0.045 746 2HG2 THR 414 2HG2 THR 414 -5.771 10.626 -1.561 747 3HG2 THR 414 3HG2 THR 414 -4.541 11.890 -1.582 748 H GLY 415 H GLY 415 -3.867 7.322 -1.722 749 1HA GLY 415 2HA GLY 415 -5.925 7.003 -3.754 750 2HA GLY 415 1HA GLY 415 -4.498 6.020 -4.014 751 H VAL 416 H VAL 416 -7.544 5.998 -2.765 752 HA VAL 416 HA VAL 416 -6.872 3.916 -0.806 753 HB VAL 416 HB VAL 416 -9.515 5.356 -1.099 754 1HG1 VAL 416 1HG1 VAL 416 -9.126 4.254 1.480 755 2HG1 VAL 416 2HG1 VAL 416 -8.726 2.999 0.308 756 3HG1 VAL 416 3HG1 VAL 416 -10.307 3.780 0.258 757 1HG2 VAL 416 1HG2 VAL 416 -8.062 5.897 1.338 758 2HG2 VAL 416 2HG2 VAL 416 -8.766 7.021 0.175 759 3HG2 VAL 416 3HG2 VAL 416 -7.140 6.388 -0.082 760 H GLY 417 H GLY 417 -7.851 1.907 -0.960 761 1HA GLY 417 2HA GLY 417 -9.814 1.363 -2.980 762 2HA GLY 417 1HA GLY 417 -8.217 0.834 -3.468 763 H ARG 418 H ARG 418 -10.721 -0.662 -2.868 764 HA ARG 418 HA ARG 418 -10.388 -2.068 -0.433 765 1HB ARG 418 2HB ARG 418 -11.801 -3.841 -1.810 766 2HB ARG 418 1HB ARG 418 -12.523 -2.359 -1.200 767 1HG ARG 418 2HG ARG 418 -12.740 -1.445 -3.271 768 2HG ARG 418 1HG ARG 418 -11.339 -2.299 -3.919 769 1HD ARG 418 2HD ARG 418 -12.885 -3.571 -4.944 770 2HD ARG 418 1HD ARG 418 -12.990 -4.374 -3.379 771 HE ARG 418 HE ARG 418 -14.750 -2.155 -3.494 772 1HH1 ARG 418 1HH1 ARG 418 -14.361 -5.427 -4.622 773 2HH1 ARG 418 2HH1 ARG 418 -16.063 -5.720 -4.758 774 1HH2 ARG 418 1HH2 ARG 418 -16.994 -2.529 -3.672 775 2HH2 ARG 418 2HH2 ARG 418 -17.560 -4.073 -4.217 776 H ASN 419 H ASN 419 -9.616 -2.990 -3.793 777 HA ASN 419 HA ASN 419 -8.166 -5.325 -2.929 778 1HB ASN 419 2HB ASN 419 -7.900 -4.227 -5.694 779 2HB ASN 419 1HB ASN 419 -8.032 -5.900 -5.162 780 1HD2 ASN 419 1HD2 ASN 419 -9.497 -4.392 -7.222 781 2HD2 ASN 419 2HD2 ASN 419 -11.168 -4.562 -6.819 782 H ILE 420 H ILE 420 -7.513 -2.026 -3.542 783 HA ILE 420 HA ILE 420 -5.654 -0.876 -2.799 784 HB ILE 420 HB ILE 420 -3.581 -1.735 -2.360 785 1HG1 ILE 420 2HG1 ILE 420 -3.074 -4.201 -3.265 786 2HG1 ILE 420 1HG1 ILE 420 -4.191 -3.680 -4.524 787 1HG2 ILE 420 1HG2 ILE 420 -4.200 -3.007 -0.665 788 2HG2 ILE 420 2HG2 ILE 420 -4.524 -4.363 -1.743 789 3HG2 ILE 420 3HG2 ILE 420 -5.788 -3.178 -1.414 790 1HD1 ILE 420 1HD1 ILE 420 -2.788 -1.792 -5.055 791 2HD1 ILE 420 2HD1 ILE 420 -1.829 -3.276 -5.086 792 3HD1 ILE 420 3HD1 ILE 420 -1.714 -2.182 -3.708 793 H LYS 421 H LYS 421 -5.496 -3.001 -5.654 794 HA LYS 421 HA LYS 421 -3.690 -1.540 -7.162 795 1HB LYS 421 2HB LYS 421 -4.219 -3.159 -8.600 796 2HB LYS 421 1HB LYS 421 -5.681 -3.541 -7.706 797 1HG LYS 421 2HG LYS 421 -5.531 -1.330 -9.738 798 2HG LYS 421 1HG LYS 421 -5.968 -2.989 -10.148 799 1HD LYS 421 2HD LYS 421 -7.556 -2.343 -7.951 800 2HD LYS 421 1HD LYS 421 -7.567 -0.898 -8.963 801 1HE LYS 421 2HE LYS 421 -8.197 -3.693 -9.909 802 2HE LYS 421 1HE LYS 421 -9.394 -2.460 -9.515 803 1HZ LYS 421 1HZ LYS 421 -7.427 -2.438 -11.728 804 2HZ LYS 421 2HZ LYS 421 -8.276 -1.054 -11.252 805 3HZ LYS 421 3HZ LYS 421 -9.117 -2.401 -11.834 806 H ILE 422 H ILE 422 -7.122 -0.997 -6.613 807 HA ILE 422 HA ILE 422 -7.482 1.206 -8.313 808 HB ILE 422 HB ILE 422 -8.815 1.477 -5.707 809 1HG1 ILE 422 2HG1 ILE 422 -10.403 -0.487 -6.475 810 2HG1 ILE 422 1HG1 ILE 422 -8.927 -1.097 -7.219 811 1HG2 ILE 422 1HG2 ILE 422 -9.886 1.227 -8.509 812 2HG2 ILE 422 2HG2 ILE 422 -9.431 2.735 -7.712 813 3HG2 ILE 422 3HG2 ILE 422 -10.777 1.775 -7.088 814 1HD1 ILE 422 1HD1 ILE 422 -8.025 -0.498 -4.744 815 2HD1 ILE 422 2HD1 ILE 422 -8.642 -2.081 -5.227 816 3HD1 ILE 422 3HD1 ILE 422 -9.698 -0.942 -4.395 817 H ALA 423 H ALA 423 -6.177 0.803 -5.113 818 HA ALA 423 HA ALA 423 -5.816 3.567 -4.544 819 1HB ALA 423 1HB ALA 423 -5.603 1.160 -3.141 820 2HB ALA 423 2HB ALA 423 -5.365 2.794 -2.516 821 3HB ALA 423 3HB ALA 423 -3.986 1.871 -3.115 822 H GLY 424 H GLY 424 -3.938 1.065 -6.147 823 1HA GLY 424 2HA GLY 424 -1.465 2.520 -6.152 824 2HA GLY 424 1HA GLY 424 -1.868 1.145 -7.175 825 H ILE 425 H ILE 425 -3.582 1.684 -8.903 826 HA ILE 425 HA ILE 425 -2.544 3.510 -10.715 827 HB ILE 425 HB ILE 425 -5.320 2.371 -10.445 828 1HG1 ILE 425 2HG1 ILE 425 -4.519 1.268 -12.638 829 2HG1 ILE 425 1HG1 ILE 425 -2.912 1.810 -12.159 830 1HG2 ILE 425 1HG2 ILE 425 -5.793 4.364 -11.561 831 2HG2 ILE 425 2HG2 ILE 425 -5.581 3.190 -12.860 832 3HG2 ILE 425 3HG2 ILE 425 -4.284 4.320 -12.472 833 1HD1 ILE 425 1HD1 ILE 425 -2.851 0.404 -10.319 834 2HD1 ILE 425 2HD1 ILE 425 -3.649 -0.571 -11.553 835 3HD1 ILE 425 3HD1 ILE 425 -4.604 0.205 -10.290 836 H ARG 426 H ARG 426 -5.224 3.925 -8.426 837 HA ARG 426 HA ARG 426 -6.005 6.501 -9.099 838 1HB ARG 426 2HB ARG 426 -7.312 5.204 -7.547 839 2HB ARG 426 1HB ARG 426 -5.967 5.115 -6.416 840 1HG ARG 426 2HG ARG 426 -7.333 6.714 -5.473 841 2HG ARG 426 1HG ARG 426 -6.141 7.681 -6.343 842 1HD ARG 426 2HD ARG 426 -7.642 8.252 -8.023 843 2HD ARG 426 1HD ARG 426 -8.702 6.887 -7.672 844 HE ARG 426 HE ARG 426 -8.495 8.895 -5.590 845 1HH1 ARG 426 1HH1 ARG 426 -10.242 7.706 -8.357 846 2HH1 ARG 426 2HH1 ARG 426 -11.714 8.522 -7.942 847 1HH2 ARG 426 1HH2 ARG 426 -10.424 9.976 -5.034 848 2HH2 ARG 426 2HH2 ARG 426 -11.816 9.815 -6.053 849 H ALA 427 H ALA 427 -3.450 5.415 -6.898 850 HA ALA 427 HA ALA 427 -2.673 7.850 -5.842 851 1HB ALA 427 1HB ALA 427 -1.781 5.399 -5.450 852 2HB ALA 427 2HB ALA 427 -0.779 6.806 -5.094 853 3HB ALA 427 3HB ALA 427 -0.543 5.913 -6.596 854 H ALA 428 H ALA 428 -1.526 6.269 -8.825 855 HA ALA 428 HA ALA 428 0.273 8.236 -9.643 856 1HB ALA 428 1HB ALA 428 -0.178 7.412 -11.968 857 2HB ALA 428 2HB ALA 428 -1.443 6.387 -11.292 858 3HB ALA 428 3HB ALA 428 0.236 6.153 -10.806 859 H GLU 429 H GLU 429 -2.942 7.820 -11.150 860 HA GLU 429 HA GLU 429 -3.142 10.246 -12.369 861 1HB GLU 429 2HB GLU 429 -5.024 8.228 -11.417 862 2HB GLU 429 1HB GLU 429 -5.719 9.844 -11.412 863 1HG GLU 429 2HG GLU 429 -5.395 10.105 -13.726 864 2HG GLU 429 1HG GLU 429 -4.309 8.718 -13.809 865 H ASN 430 H ASN 430 -3.384 9.532 -8.989 866 HA ASN 430 HA ASN 430 -4.607 11.947 -8.150 867 1HB ASN 430 2HB ASN 430 -3.458 9.599 -6.905 868 2HB ASN 430 1HB ASN 430 -2.995 11.063 -6.044 869 1HD2 ASN 430 1HD2 ASN 430 -5.736 9.262 -7.298 870 2HD2 ASN 430 2HD2 ASN 430 -6.885 9.854 -6.152 871 H ALA 431 H ALA 431 -1.298 10.970 -8.787 872 HA ALA 431 HA ALA 431 -0.040 13.199 -7.588 873 1HB ALA 431 1HB ALA 431 1.482 11.529 -8.025 874 2HB ALA 431 2HB ALA 431 1.780 12.620 -9.379 875 3HB ALA 431 3HB ALA 431 0.798 11.171 -9.611 876 H LEU 432 H LEU 432 -1.098 12.495 -10.924 877 HA LEU 432 HA LEU 432 -0.488 15.205 -11.739 878 1HB LEU 432 2HB LEU 432 -1.242 14.431 -13.944 879 2HB LEU 432 1HB LEU 432 -0.007 13.387 -13.265 880 HG LEU 432 HG LEU 432 -2.616 12.409 -12.544 881 1HD1 LEU 432 1HD1 LEU 432 -3.753 13.004 -14.382 882 2HD1 LEU 432 2HD1 LEU 432 -2.849 11.694 -15.141 883 3HD1 LEU 432 3HD1 LEU 432 -2.290 13.361 -15.301 884 1HD2 LEU 432 1HD2 LEU 432 -0.596 11.079 -12.503 885 2HD2 LEU 432 2HD2 LEU 432 -0.390 11.290 -14.241 886 3HD2 LEU 432 3HD2 LEU 432 -1.762 10.374 -13.618 887 H ARG 433 H ARG 433 -2.667 14.425 -9.751 888 HA ARG 433 HA ARG 433 -5.062 15.296 -11.159 889 1HB ARG 433 2HB ARG 433 -5.140 13.445 -9.467 890 2HB ARG 433 1HB ARG 433 -4.735 14.627 -8.228 891 1HG ARG 433 2HG ARG 433 -6.780 15.778 -8.524 892 2HG ARG 433 1HG ARG 433 -7.145 14.888 -10.003 893 1HD ARG 433 2HD ARG 433 -6.841 12.866 -8.202 894 2HD ARG 433 1HD ARG 433 -7.539 14.136 -7.195 895 HE ARG 433 HE ARG 433 -8.852 12.663 -9.284 896 1HH1 ARG 433 1HH1 ARG 433 -8.822 15.631 -7.466 897 2HH1 ARG 433 2HH1 ARG 433 -10.500 15.963 -7.731 898 1HH2 ARG 433 1HH2 ARG 433 -11.066 13.089 -9.640 899 2HH2 ARG 433 2HH2 ARG 433 -11.778 14.517 -8.969 900 H ASP 434 H ASP 434 -2.443 16.770 -9.946 901 HA ASP 434 HA ASP 434 -3.953 19.112 -8.981 902 1HB ASP 434 2HB ASP 434 -1.146 18.195 -8.336 903 2HB ASP 434 1HB ASP 434 -1.789 19.764 -7.868 904 H LYS 435 H LYS 435 -4.239 19.619 -11.285 905 HA LYS 435 HA LYS 435 -2.430 20.021 -13.230 906 1HB LYS 435 2HB LYS 435 -3.925 21.448 -14.232 907 2HB LYS 435 1HB LYS 435 -4.968 20.681 -13.044 908 1HG LYS 435 2HG LYS 435 -4.526 22.624 -11.530 909 2HG LYS 435 1HG LYS 435 -3.697 23.401 -12.880 910 1HD LYS 435 2HD LYS 435 -6.566 22.470 -12.896 911 2HD LYS 435 1HD LYS 435 -6.035 24.137 -12.659 912 1HE LYS 435 2HE LYS 435 -6.306 24.300 -14.884 913 2HE LYS 435 1HE LYS 435 -4.740 23.494 -14.956 914 1HZ LYS 435 1HZ LYS 435 -6.790 21.573 -14.688 915 2HZ LYS 435 2HZ LYS 435 -5.679 21.768 -15.948 916 3HZ LYS 435 3HZ LYS 435 -7.152 22.596 -15.987 917 H LYS 436 H LYS 436 -2.994 22.256 -10.531 918 HA LYS 436 HA LYS 436 -1.156 24.225 -11.345 919 1HB LYS 436 2HB LYS 436 -2.193 23.505 -8.601 920 2HB LYS 436 1HB LYS 436 -1.217 24.930 -8.936 921 1HG LYS 436 2HG LYS 436 -3.652 24.545 -10.576 922 2HG LYS 436 1HG LYS 436 -3.871 24.989 -8.882 923 1HD LYS 436 2HD LYS 436 -3.644 27.092 -9.656 924 2HD LYS 436 1HD LYS 436 -1.919 26.721 -9.615 925 1HE LYS 436 2HE LYS 436 -1.950 26.113 -11.949 926 2HE LYS 436 1HE LYS 436 -3.701 26.313 -12.014 927 1HZ LYS 436 1HZ LYS 436 -1.785 28.499 -11.409 928 2HZ LYS 436 2HZ LYS 436 -3.454 28.652 -11.636 929 3HZ LYS 436 3HZ LYS 436 -2.462 28.214 -12.934 930 H MET 437 H MET 437 -0.798 21.614 -8.945 931 HA MET 437 HA MET 437 1.908 22.075 -8.367 932 1HB MET 437 2HB MET 437 0.805 20.692 -6.846 933 2HB MET 437 1HB MET 437 0.075 19.716 -8.110 934 1HG MET 437 2HG MET 437 2.831 19.335 -8.381 935 2HG MET 437 1HG MET 437 2.511 19.302 -6.650 936 1HE MET 437 1HE MET 437 2.056 15.896 -9.428 937 2HE MET 437 2HE MET 437 3.409 16.946 -8.998 938 3HE MET 437 3HE MET 437 2.127 17.547 -10.052 939 H LEU 438 H LEU 438 0.314 20.191 -10.857 940 HA LEU 438 HA LEU 438 2.596 18.867 -11.874 941 1HB LEU 438 2HB LEU 438 -0.073 19.582 -13.056 942 2HB LEU 438 1HB LEU 438 1.151 18.724 -13.968 943 HG LEU 438 HG LEU 438 0.053 17.707 -11.353 944 1HD1 LEU 438 1HD1 LEU 438 -1.326 17.938 -13.793 945 2HD1 LEU 438 2HD1 LEU 438 -1.805 17.038 -12.356 946 3HD1 LEU 438 3HD1 LEU 438 -0.876 16.242 -13.625 947 1HD2 LEU 438 1HD2 LEU 438 1.533 16.071 -11.591 948 2HD2 LEU 438 2HD2 LEU 438 2.222 16.944 -12.960 949 3HD2 LEU 438 3HD2 LEU 438 0.964 15.737 -13.226 950 H ASP 439 H ASP 439 0.816 21.681 -13.082 951 HA ASP 439 HA ASP 439 2.643 22.320 -15.135 952 1HB ASP 439 2HB ASP 439 0.268 23.107 -15.019 953 2HB ASP 439 1HB ASP 439 0.746 24.214 -13.735 954 H PHE 440 H PHE 440 2.597 22.994 -11.734 955 HA PHE 440 HA PHE 440 4.377 25.221 -11.790 956 1HB PHE 440 2HB PHE 440 3.352 25.187 -9.747 957 2HB PHE 440 1HB PHE 440 3.232 23.432 -9.718 958 HD1 PHE 440 HD1 PHE 440 6.179 25.710 -9.972 959 HD2 PHE 440 HD2 PHE 440 4.160 22.688 -7.756 960 HE1 PHE 440 HE1 PHE 440 8.069 25.606 -8.397 961 HE2 PHE 440 HE2 PHE 440 6.045 22.579 -6.178 962 HZ PHE 440 HZ PHE 440 8.002 24.039 -6.496 963 H TYR 441 H TYR 441 4.746 21.743 -11.431 964 HA TYR 441 HA TYR 441 7.557 21.827 -11.018 965 1HB TYR 441 2HB TYR 441 5.629 19.617 -11.705 966 2HB TYR 441 1HB TYR 441 7.360 19.336 -11.515 967 HD1 TYR 441 HD1 TYR 441 8.006 21.155 -9.314 968 HD2 TYR 441 HD2 TYR 441 4.667 18.573 -9.831 969 HE1 TYR 441 HE1 TYR 441 7.725 21.056 -6.883 970 HE2 TYR 441 HE2 TYR 441 4.372 18.459 -7.393 971 HH TYR 441 HH TYR 441 6.149 18.822 -5.301 972 H ALA 442 H ALA 442 5.478 21.357 -13.833 973 HA ALA 442 HA ALA 442 7.428 20.645 -15.698 974 1HB ALA 442 1HB ALA 442 5.249 22.538 -16.480 975 2HB ALA 442 2HB ALA 442 4.832 20.906 -15.957 976 3HB ALA 442 3HB ALA 442 5.888 21.142 -17.349 977 H LYS 443 H LYS 443 6.414 23.754 -14.422 978 HA LYS 443 HA LYS 443 8.093 25.344 -16.080 979 1HB LYS 443 2HB LYS 443 6.205 26.398 -15.076 980 2HB LYS 443 1HB LYS 443 6.683 25.873 -13.467 981 1HG LYS 443 2HG LYS 443 7.111 28.244 -13.792 982 2HG LYS 443 1HG LYS 443 8.614 27.351 -13.544 983 1HD LYS 443 2HD LYS 443 8.086 27.364 -16.321 984 2HD LYS 443 1HD LYS 443 7.858 29.013 -15.736 985 1HE LYS 443 2HE LYS 443 10.111 28.574 -14.495 986 2HE LYS 443 1HE LYS 443 10.309 27.303 -15.700 987 1HZ LYS 443 1HZ LYS 443 11.320 29.416 -16.377 988 2HZ LYS 443 2HZ LYS 443 9.803 30.162 -16.324 989 3HZ LYS 443 3HZ LYS 443 10.099 28.929 -17.442 990 H GLN 444 H GLN 444 8.350 24.350 -12.651 991 HA GLN 444 HA GLN 444 10.830 25.460 -12.124 992 1HB GLN 444 2HB GLN 444 10.710 24.351 -10.138 993 2HB GLN 444 1HB GLN 444 9.057 24.074 -10.653 994 1HG GLN 444 2HG GLN 444 9.359 21.894 -10.588 995 2HG GLN 444 1HG GLN 444 10.741 21.987 -11.671 996 1HE2 GLN 444 1HE2 GLN 444 10.288 23.372 -8.485 997 2HE2 GLN 444 2HE2 GLN 444 11.599 22.543 -7.726 998 H ARG 445 H ARG 445 9.968 22.596 -13.878 999 HA ARG 445 HA ARG 445 12.504 21.342 -13.920 1000 1HB ARG 445 2HB ARG 445 9.904 20.966 -15.144 1001 2HB ARG 445 1HB ARG 445 11.191 20.659 -16.297 1002 1HG ARG 445 2HG ARG 445 10.900 19.359 -13.597 1003 2HG ARG 445 1HG ARG 445 10.506 18.621 -15.151 1004 1HD ARG 445 2HD ARG 445 13.220 19.720 -14.975 1005 2HD ARG 445 1HD ARG 445 12.902 18.391 -13.866 1006 HE ARG 445 HE ARG 445 12.727 16.956 -15.670 1007 1HH1 ARG 445 1HH1 ARG 445 12.933 20.250 -16.780 1008 2HH1 ARG 445 2HH1 ARG 445 13.184 19.809 -18.435 1009 1HH2 ARG 445 1HH2 ARG 445 13.073 16.367 -17.839 1010 2HH2 ARG 445 2HH2 ARG 445 13.271 17.602 -19.037 1011 H ALA 446 H ALA 446 10.834 23.351 -16.347 1012 HA ALA 446 HA ALA 446 12.963 23.465 -18.173 1013 1HB ALA 446 1HB ALA 446 10.447 24.951 -17.769 1014 2HB ALA 446 2HB ALA 446 11.098 24.187 -19.219 1015 3HB ALA 446 3HB ALA 446 11.695 25.766 -18.710 1016 H ALA 447 H ALA 447 12.410 25.159 -15.210 1017 HA ALA 447 HA ALA 447 14.275 27.287 -15.801 1018 1HB ALA 447 1HB ALA 447 12.183 27.226 -14.150 1019 2HB ALA 447 2HB ALA 447 13.563 28.296 -13.901 1020 3HB ALA 447 3HB ALA 447 13.449 26.781 -13.005 1021 H ILE 448 H ILE 448 14.189 24.568 -13.495 1022 HA ILE 448 HA ILE 448 16.594 24.787 -12.275 1023 HB ILE 448 HB ILE 448 16.715 22.271 -12.262 1024 1HG1 ILE 448 2HG1 ILE 448 14.052 22.377 -13.667 1025 2HG1 ILE 448 1HG1 ILE 448 15.554 22.121 -14.547 1026 1HG2 ILE 448 1HG2 ILE 448 14.360 23.858 -11.376 1027 2HG2 ILE 448 2HG2 ILE 448 15.608 23.057 -10.421 1028 3HG2 ILE 448 3HG2 ILE 448 14.325 22.106 -11.173 1029 1HD1 ILE 448 1HD1 ILE 448 15.336 19.960 -14.143 1030 2HD1 ILE 448 2HD1 ILE 448 13.960 20.251 -13.079 1031 3HD1 ILE 448 3HD1 ILE 448 15.601 20.298 -12.432 1032 HA PRO 449 HA PRO 449 19.373 24.673 -15.798 1033 1HB PRO 449 2HB PRO 449 21.560 25.515 -14.485 1034 2HB PRO 449 1HB PRO 449 20.246 26.620 -14.910 1035 1HG PRO 449 2HG PRO 449 20.828 25.291 -12.292 1036 2HG PRO 449 1HG PRO 449 20.348 26.969 -12.613 1037 1HD PRO 449 2HD PRO 449 18.603 25.032 -11.795 1038 2HD PRO 449 1HD PRO 449 18.122 26.429 -12.778 1039 H ARG 450 H ARG 450 21.965 23.958 -15.620 1040 HA ARG 450 HA ARG 450 22.108 21.442 -14.143 1041 1HB ARG 450 2HB ARG 450 21.237 20.721 -16.256 1042 2HB ARG 450 1HB ARG 450 22.409 21.692 -17.134 1043 1HG ARG 450 2HG ARG 450 23.506 19.746 -17.313 1044 2HG ARG 450 1HG ARG 450 24.066 20.136 -15.686 1045 1HD ARG 450 2HD ARG 450 21.899 18.241 -16.528 1046 2HD ARG 450 1HD ARG 450 23.319 17.924 -15.537 1047 HE ARG 450 HE ARG 450 22.231 18.859 -13.696 1048 1HH1 ARG 450 1HH1 ARG 450 20.251 19.064 -16.565 1049 2HH1 ARG 450 2HH1 ARG 450 18.794 19.378 -15.685 1050 1HH2 ARG 450 1HH2 ARG 450 20.314 19.269 -12.541 1051 2HH2 ARG 450 2HH2 ARG 450 18.829 19.494 -13.403 1052 H SER 451 H SER 451 23.816 21.889 -12.905 1053 HA SER 451 HA SER 451 26.387 22.271 -14.192 1054 1HB SER 451 2HB SER 451 25.017 24.383 -12.633 1055 2HB SER 451 1HB SER 451 26.713 24.112 -12.229 1056 HG SER 451 HG SER 451 26.717 25.570 -13.871 1057 H GLU 452 H GLU 452 28.028 21.319 -13.075 1058 HA GLU 452 HA GLU 452 29.050 19.965 -11.554 1059 1HB GLU 452 2HB GLU 452 27.971 22.137 -10.115 1060 2HB GLU 452 1HB GLU 452 27.619 20.699 -9.166 1061 1HG GLU 452 2HG GLU 452 30.350 21.441 -10.186 1062 2HG GLU 452 1HG GLU 452 29.749 21.797 -8.567 1063 H SER 453 HN SER 453 28.695 18.162 -10.004 1064 HA SER 453 HA SER 453 26.960 16.276 -10.870 1065 1HB SER 453 2HB SER 453 27.277 15.101 -8.794 1066 2HB SER 453 1HB SER 453 28.774 15.961 -9.154 1067 HG SER 453 HG SER 453 28.273 17.469 -7.621
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