REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3c70_1_A DATA FIRST_RESID 2 DATA SEQUENCE AFAHFVLIHT ICHGAWIWHK LKPLLEALGH KVTALDLAAS GVDPRQIEEI DATA SEQUENCE GSFDEYSEPL LTFLEALPPG EKVILVGESC GGLNIAIAAD KYCEKIAAAV DATA SEQUENCE FHNSVLPDTE HCPSYVVDKL MEVFPDWKDT TYFTYTKDGK EITGLKLGFT DATA SEQUENCE LLRENLYTLC GPEEYELAKM LTRKGSLFQN ILAKRPFFTK EGYGSIKKIY DATA SEQUENCE VWTDQDEIFL PEFQLWQIEN YKPDKVYKVE GGDHKLQLTK TKEIAEILQE DATA SEQUENCE VADTYN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 4.077 4.320 -0.405 0.000 0.244 2 A C 0.000 177.558 177.584 -0.043 0.000 1.274 2 A CA 0.000 51.910 52.037 -0.211 0.000 0.836 2 A CB 0.000 18.965 19.000 -0.059 0.000 0.831 3 F N -1.629 118.381 119.950 0.100 0.000 2.458 3 F HA 0.130 4.829 4.527 0.286 0.000 0.330 3 F C -0.594 175.313 175.800 0.179 0.000 1.082 3 F CA -2.066 56.038 58.000 0.174 0.000 0.995 3 F CB 1.962 40.979 39.000 0.028 0.000 1.170 3 F HN -0.089 8.107 8.300 -0.173 0.000 0.478 4 A N 0.470 123.548 122.820 0.428 0.000 2.532 4 A HA 0.352 4.675 4.320 0.005 0.000 0.290 4 A C -3.082 174.471 177.584 -0.052 0.000 1.143 4 A CA -1.689 50.322 52.037 -0.042 0.000 0.728 4 A CB 3.347 22.018 19.000 -0.548 0.000 1.317 4 A HN 0.231 8.907 8.150 0.876 0.000 0.414 5 H N 1.000 119.913 119.070 -0.261 0.000 2.623 5 H HA 0.755 5.696 4.556 -0.068 -0.426 0.299 5 H C -1.149 173.985 175.328 -0.322 0.000 1.052 5 H CA -3.129 52.819 56.048 -0.167 0.000 1.231 5 H CB 1.088 30.822 29.762 -0.047 0.000 1.389 5 H HN 0.477 8.707 8.280 -0.083 0.000 0.469 6 F N 7.104 127.143 119.950 0.148 0.000 2.394 6 F HA 0.418 5.065 4.527 -0.116 -0.190 0.340 6 F C -1.009 174.723 175.800 -0.112 0.000 1.105 6 F CA -0.888 57.071 58.000 -0.068 0.000 1.124 6 F CB 1.585 40.484 39.000 -0.169 0.000 1.145 6 F HN 0.641 9.098 8.300 0.263 0.000 0.505 7 V N 3.021 122.885 119.914 -0.084 0.000 2.350 7 V HA 0.497 4.661 4.120 -0.252 -0.194 0.285 7 V C -1.232 174.660 176.094 -0.336 0.000 1.014 7 V CA -1.244 60.913 62.300 -0.238 0.000 0.831 7 V CB 0.455 32.121 31.823 -0.262 0.000 1.000 7 V HN 0.544 8.689 8.190 -0.074 0.000 0.433 8 L N 7.654 128.570 121.223 -0.511 0.000 2.276 8 L HA 0.460 4.380 4.340 -0.948 -0.149 0.286 8 L C -1.081 175.456 176.870 -0.556 0.000 1.061 8 L CA -0.634 53.635 54.840 -0.953 0.000 0.807 8 L CB 0.975 41.980 42.059 -1.756 0.000 1.177 8 L HN 0.600 8.554 8.230 -0.460 0.000 0.429 9 I N 1.026 121.449 120.570 -0.244 0.000 2.448 9 I HA 0.370 4.495 4.170 -0.075 0.000 0.281 9 I C -1.465 174.804 176.117 0.254 0.000 1.027 9 I CA -1.677 59.609 61.300 -0.023 0.000 1.111 9 I CB 1.742 39.668 38.000 -0.122 0.000 1.236 9 I HN 0.396 8.420 8.210 -0.310 0.000 0.452 10 H N 5.488 124.770 119.070 0.354 0.000 2.730 10 H HA 0.048 4.682 4.556 -0.039 -0.101 0.376 10 H C -0.699 174.676 175.328 0.079 0.000 1.299 10 H CA -1.156 54.947 56.048 0.091 0.000 1.447 10 H CB 0.642 30.365 29.762 -0.065 0.000 1.493 10 H HN 0.267 8.656 8.280 0.182 0.000 0.619 11 T N -1.398 113.247 114.554 0.152 0.000 2.810 11 T HA 0.143 4.657 4.350 0.273 0.000 0.277 11 T C -0.018 174.986 174.700 0.507 0.000 0.973 11 T CA -1.569 60.677 62.100 0.243 0.000 0.949 11 T CB 1.499 70.384 68.868 0.028 0.000 1.075 11 T HN -0.120 8.414 8.240 -0.009 -0.300 0.537 12 I N -4.272 116.583 120.570 0.474 0.000 2.932 12 I HA -0.231 4.202 4.170 0.439 0.000 0.295 12 I C 0.763 177.165 176.117 0.476 0.000 1.227 12 I CA 1.638 63.185 61.300 0.412 0.000 1.429 12 I CB 0.042 38.191 38.000 0.248 0.000 1.339 12 I HN 0.220 8.697 8.210 0.445 0.000 0.589 13 C N -2.494 117.023 119.300 0.361 0.000 4.784 13 C HA -0.378 4.316 4.460 0.216 -0.105 0.261 13 C C -0.149 174.984 174.990 0.238 0.000 1.492 13 C CA 1.603 60.795 59.018 0.290 0.000 1.622 13 C CB -2.853 25.056 27.740 0.282 0.000 1.855 13 C HN 1.049 9.459 8.230 0.300 0.000 0.662 14 H N -0.598 118.570 119.070 0.165 0.000 2.915 14 H HA 0.218 4.895 4.556 0.200 0.000 0.298 14 H C -0.852 174.156 175.328 -0.532 0.000 1.516 14 H CA 0.043 56.048 56.048 -0.072 0.000 1.480 14 H CB 2.927 32.530 29.762 -0.265 0.000 1.847 14 H HN -0.669 7.811 8.280 0.488 0.093 0.806 15 G N -4.212 104.021 108.800 -0.946 0.000 2.663 15 G HA2 0.126 3.121 3.960 -1.609 0.000 0.299 15 G HA3 0.126 3.844 3.960 -0.403 0.000 0.299 15 G C -1.260 173.195 174.900 -0.741 0.000 1.372 15 G CA -0.396 44.107 45.100 -0.995 0.000 0.781 15 G HN -0.116 7.415 8.290 -1.264 0.000 0.491 16 A N 1.288 124.029 122.820 -0.132 0.000 1.986 16 A HA -0.148 4.392 4.320 0.366 0.000 0.220 16 A C 1.648 179.291 177.584 0.099 0.000 1.171 16 A CA 2.956 55.087 52.037 0.157 0.000 0.640 16 A CB -0.056 19.062 19.000 0.197 0.000 0.811 16 A HN 0.458 8.932 8.150 -0.047 -0.353 0.451 17 W N -5.252 116.103 121.300 0.093 0.000 2.341 17 W HA -0.328 4.395 4.660 0.105 0.000 0.283 17 W C 0.982 177.576 176.519 0.126 0.000 1.215 17 W CA 0.488 57.878 57.345 0.075 0.000 1.211 17 W CB -1.307 28.137 29.460 -0.027 0.000 1.131 17 W HN -0.206 8.001 8.180 0.106 0.036 0.552 18 I N 1.377 121.616 120.570 -0.553 0.000 2.567 18 I HA -0.249 3.834 4.170 -0.146 0.000 0.257 18 I C 0.450 176.362 176.117 -0.342 0.000 1.184 18 I CA 1.629 62.608 61.300 -0.536 0.000 1.451 18 I CB -0.171 37.211 38.000 -1.031 0.000 1.089 18 I HN -0.622 6.924 8.210 -1.044 0.037 0.441 19 W N -3.218 118.062 121.300 -0.033 0.000 3.388 19 W HA 0.019 4.614 4.660 -0.109 0.000 0.324 19 W C 0.422 176.946 176.519 0.008 0.000 1.250 19 W CA -0.608 56.704 57.345 -0.055 0.000 1.809 19 W CB -1.200 28.209 29.460 -0.085 0.000 1.083 19 W HN -0.472 7.629 8.180 -0.054 0.046 0.685 20 H N -2.261 116.922 119.070 0.188 0.000 2.491 20 H HA -0.202 4.449 4.556 0.159 0.000 0.290 20 H C 0.837 176.235 175.328 0.118 0.000 1.050 20 H CA 2.977 59.119 56.048 0.158 0.000 1.309 20 H CB -0.489 29.369 29.762 0.161 0.000 1.392 20 H HN -0.356 8.090 8.280 0.416 0.083 0.554 21 K N -1.549 118.616 120.400 -0.391 0.000 2.166 21 K HA -0.173 4.027 4.320 -0.201 0.000 0.201 21 K C 1.407 177.967 176.600 -0.066 0.000 1.052 21 K CA 2.069 58.209 56.287 -0.245 0.000 0.969 21 K CB -0.058 32.265 32.500 -0.295 0.000 0.761 21 K HN -0.128 7.812 8.250 -0.475 0.026 0.459 22 L N 0.052 121.277 121.223 0.003 0.000 2.109 22 L HA -0.234 4.103 4.340 -0.006 0.000 0.207 22 L C 1.050 177.921 176.870 0.001 0.000 1.086 22 L CA 2.619 57.475 54.840 0.027 0.000 0.760 22 L CB -0.443 41.687 42.059 0.119 0.000 0.910 22 L HN -0.522 7.722 8.230 0.023 0.000 0.437 23 K N -0.574 119.848 120.400 0.037 0.000 2.009 23 K HA -0.245 4.055 4.320 -0.032 0.000 0.210 23 K C -1.081 175.526 176.600 0.012 0.000 1.049 23 K CA 5.878 62.172 56.287 0.011 0.000 0.929 23 K CB -1.862 30.665 32.500 0.046 0.000 0.714 23 K HN -0.131 8.171 8.250 0.088 0.000 0.440 24 P HA -0.081 4.509 4.420 0.013 -0.162 0.218 24 P C 1.683 178.986 177.300 0.005 0.000 1.149 24 P CA 2.451 65.560 63.100 0.015 0.000 0.817 24 P CB -0.245 31.469 31.700 0.023 0.000 0.785 25 L N -2.318 118.905 121.223 -0.001 0.000 1.994 25 L HA -0.405 3.935 4.340 0.001 0.000 0.208 25 L C 2.309 179.188 176.870 0.015 0.000 1.071 25 L CA 3.068 57.907 54.840 -0.002 0.000 0.745 25 L CB -0.520 41.531 42.059 -0.013 0.000 0.892 25 L HN -0.956 7.271 8.230 -0.004 0.000 0.431 26 L N -2.684 118.544 121.223 0.009 0.000 2.042 26 L HA -0.459 3.966 4.340 0.142 0.000 0.210 26 L C 2.669 179.620 176.870 0.135 0.000 1.076 26 L CA 3.170 58.063 54.840 0.087 0.000 0.749 26 L CB -0.462 41.581 42.059 -0.026 0.000 0.893 26 L HN -0.227 7.992 8.230 -0.017 0.000 0.432 27 E N -0.991 119.238 120.200 0.049 0.000 2.153 27 E HA -0.279 4.246 4.350 -0.009 -0.180 0.194 27 E C 2.947 179.516 176.600 -0.052 0.000 0.988 27 E CA 2.672 59.068 56.400 -0.007 0.000 0.811 27 E CB -0.192 29.499 29.700 -0.015 0.000 0.746 27 E HN -0.302 8.078 8.360 0.032 0.000 0.466 28 A N -1.283 121.523 122.820 -0.024 0.000 2.168 28 A HA -0.101 4.192 4.320 -0.046 0.000 0.215 28 A C 1.208 178.769 177.584 -0.037 0.000 1.152 28 A CA 1.360 53.378 52.037 -0.032 0.000 0.716 28 A CB -0.123 18.870 19.000 -0.010 0.000 0.794 28 A HN -0.335 7.619 8.150 -0.005 0.193 0.465 29 L N -2.863 118.339 121.223 -0.034 0.000 2.558 29 L HA -0.070 4.266 4.340 -0.007 0.000 0.225 29 L C 0.010 176.735 176.870 -0.242 0.000 1.128 29 L CA -0.142 54.665 54.840 -0.054 0.000 0.868 29 L CB 0.116 42.215 42.059 0.067 0.000 1.006 29 L HN -0.737 7.332 8.230 -0.004 0.159 0.454 30 G N -4.055 104.512 108.800 -0.387 0.000 2.179 30 G HA2 -0.333 3.225 3.960 -0.671 0.000 0.220 30 G HA3 -0.333 2.920 3.960 -1.179 0.000 0.220 30 G C -0.175 174.191 174.900 -0.891 0.000 0.990 30 G CA -0.332 44.275 45.100 -0.821 0.000 0.646 30 G HN -0.473 7.477 8.290 -0.260 0.185 0.517 31 H N 0.176 119.156 119.070 -0.150 0.000 2.547 31 H HA 0.080 4.694 4.556 -0.007 -0.063 0.362 31 H C -0.514 174.777 175.328 -0.062 0.000 1.181 31 H CA 0.392 56.440 56.048 -0.000 0.000 1.376 31 H CB 1.135 31.072 29.762 0.291 0.000 1.488 31 H HN -0.641 7.436 8.280 -0.339 0.000 0.583 32 K N 1.489 121.936 120.400 0.078 0.000 2.174 32 K HA 0.215 4.482 4.320 -0.088 0.000 0.275 32 K C -2.032 174.603 176.600 0.059 0.000 1.015 32 K CA -0.537 55.707 56.287 -0.072 0.000 0.933 32 K CB 1.237 33.535 32.500 -0.336 0.000 1.025 32 K HN -0.092 8.228 8.250 0.117 0.000 0.463 33 V N 4.497 124.422 119.914 0.020 0.000 2.686 33 V HA 0.712 5.137 4.120 0.186 -0.194 0.306 33 V C -0.434 175.674 176.094 0.023 0.000 1.065 33 V CA -2.027 60.323 62.300 0.083 0.000 0.894 33 V CB 2.998 34.844 31.823 0.037 0.000 1.004 33 V HN 0.248 8.417 8.190 -0.035 0.000 0.424 34 T N 7.392 121.958 114.554 0.020 0.000 2.792 34 T HA 0.273 4.555 4.350 -0.113 0.000 0.280 34 T C -1.659 172.896 174.700 -0.242 0.000 0.990 34 T CA -1.047 60.966 62.100 -0.144 0.000 0.960 34 T CB 1.814 70.463 68.868 -0.364 0.000 0.939 34 T HN 0.614 8.898 8.240 0.073 0.000 0.439 35 A N 7.865 130.576 122.820 -0.182 0.000 2.323 35 A HA 0.585 4.915 4.320 -0.250 -0.160 0.305 35 A C -1.207 176.343 177.584 -0.057 0.000 1.275 35 A CA -1.387 50.565 52.037 -0.142 0.000 0.804 35 A CB 1.393 20.384 19.000 -0.015 0.000 1.152 35 A HN 0.327 8.398 8.150 -0.132 0.000 0.487 36 L N 2.928 124.106 121.223 -0.074 0.000 2.357 36 L HA 0.103 4.416 4.340 -0.046 0.000 0.273 36 L C -0.549 176.414 176.870 0.155 0.000 1.080 36 L CA -0.824 54.002 54.840 -0.024 0.000 0.803 36 L CB 1.014 43.004 42.059 -0.115 0.000 1.174 36 L HN -0.482 7.676 8.230 -0.121 0.000 0.443 37 D N 1.033 121.526 120.400 0.154 0.000 2.280 37 D HA 0.084 4.952 4.640 0.380 0.000 0.243 37 D C -0.374 176.069 176.300 0.237 0.000 1.129 37 D CA -0.266 53.887 54.000 0.254 0.000 0.848 37 D CB 0.527 41.424 40.800 0.161 0.000 1.107 37 D HN -0.058 8.373 8.370 0.102 0.000 0.471 38 L N 1.671 123.128 121.223 0.390 0.000 2.470 38 L HA -0.053 4.268 4.340 -0.032 0.000 0.243 38 L C -0.034 176.938 176.870 0.170 0.000 1.227 38 L CA -0.207 54.671 54.840 0.063 0.000 0.824 38 L CB 0.662 42.505 42.059 -0.360 0.000 1.175 38 L HN 0.061 8.871 8.230 0.968 0.000 0.503 39 A N -2.844 120.053 122.820 0.128 0.000 2.498 39 A HA -0.264 4.269 4.320 0.164 -0.115 0.239 39 A C 0.270 178.043 177.584 0.316 0.000 1.068 39 A CA 0.528 52.695 52.037 0.217 0.000 0.766 39 A CB 0.007 19.133 19.000 0.211 0.000 1.003 39 A HN -0.281 7.868 8.150 -0.001 0.000 0.497 40 A N 1.069 124.020 122.820 0.217 0.000 2.826 40 A HA -0.399 4.250 4.320 0.137 -0.248 0.274 40 A C -1.328 176.381 177.584 0.208 0.000 1.443 40 A CA 0.877 53.025 52.037 0.184 0.000 0.833 40 A CB -1.569 17.533 19.000 0.171 0.000 1.023 40 A HN 0.403 9.250 8.150 0.174 -0.593 0.600 41 S N -2.220 113.618 115.700 0.229 0.000 2.568 41 S HA 0.204 4.790 4.470 0.194 0.000 0.293 41 S C -0.121 174.558 174.600 0.132 0.000 1.089 41 S CA -0.900 57.425 58.200 0.208 0.000 0.945 41 S CB 2.627 66.026 63.200 0.331 0.000 1.077 41 S HN -0.896 7.514 8.310 0.221 0.033 0.485 42 G N 3.481 112.354 108.800 0.123 0.000 2.629 42 G HA2 -0.395 3.765 3.960 0.333 0.000 0.313 42 G HA3 -0.395 3.862 3.960 0.182 -0.188 0.313 42 G C 0.400 175.376 174.900 0.127 0.000 1.217 42 G CA 1.718 46.936 45.100 0.197 0.000 0.994 42 G HN 0.112 8.480 8.290 0.129 0.000 0.549 43 V N 0.166 120.146 119.914 0.109 0.000 3.444 43 V HA 0.253 4.401 4.120 0.047 0.000 0.308 43 V C -0.664 175.468 176.094 0.064 0.000 1.371 43 V CA -1.543 60.796 62.300 0.065 0.000 1.141 43 V CB -0.408 31.444 31.823 0.048 0.000 1.037 43 V HN -0.354 8.111 8.190 0.125 -0.199 0.433 44 D N 3.421 123.872 120.400 0.085 0.000 2.424 44 D HA 0.083 4.767 4.640 0.075 0.000 0.244 44 D C -0.921 175.420 176.300 0.068 0.000 1.134 44 D CA -1.470 52.580 54.000 0.084 0.000 0.881 44 D CB 2.698 43.564 40.800 0.109 0.000 1.191 44 D HN -0.405 7.839 8.370 0.099 0.185 0.445 45 P HA 0.031 4.472 4.420 0.034 0.000 0.221 45 P C 0.061 177.387 177.300 0.043 0.000 1.150 45 P CA 0.809 63.934 63.100 0.041 0.000 0.800 45 P CB 0.292 32.013 31.700 0.035 0.000 0.787 46 R N -1.615 118.921 120.500 0.059 0.000 2.734 46 R HA -0.153 4.333 4.340 0.043 -0.120 0.266 46 R C -0.617 175.713 176.300 0.050 0.000 1.044 46 R CA 0.972 57.106 56.100 0.057 0.000 1.128 46 R CB 0.559 30.906 30.300 0.078 0.000 1.010 46 R HN -0.503 8.244 8.270 0.071 -0.435 0.461 47 Q N 0.055 119.869 119.800 0.023 0.000 2.226 47 Q HA 0.265 4.612 4.340 0.012 0.000 0.256 47 Q C 1.028 177.022 176.000 -0.010 0.000 0.962 47 Q CA -1.936 53.866 55.803 -0.003 0.000 0.887 47 Q CB 1.704 30.415 28.738 -0.045 0.000 1.282 47 Q HN -0.135 8.463 8.270 0.017 -0.319 0.449 48 I N 3.424 123.980 120.570 -0.023 0.000 2.454 48 I HA -0.426 3.788 4.170 0.073 0.000 0.254 48 I C 1.500 177.461 176.117 -0.260 0.000 1.156 48 I CA 2.425 63.711 61.300 -0.025 0.000 1.433 48 I CB 0.154 38.170 38.000 0.026 0.000 1.082 48 I HN 0.693 8.893 8.210 -0.017 0.000 0.432 49 E N -1.038 118.876 120.200 -0.477 0.000 2.409 49 E HA -0.261 2.852 4.350 -2.062 0.000 0.198 49 E C 0.826 177.286 176.600 -0.233 0.000 1.024 49 E CA 2.445 58.336 56.400 -0.848 0.000 0.861 49 E CB -0.810 28.601 29.700 -0.483 0.000 0.788 49 E HN 0.572 8.709 8.360 -0.322 0.030 0.521 50 E N -3.159 117.004 120.200 -0.061 0.000 2.435 50 E HA -0.101 4.286 4.350 0.063 0.000 0.195 50 E C -0.456 176.227 176.600 0.138 0.000 1.029 50 E CA 1.027 57.459 56.400 0.054 0.000 0.865 50 E CB 0.684 30.412 29.700 0.047 0.000 0.833 50 E HN -0.640 7.617 8.360 -0.081 0.054 0.510 51 I N -0.532 120.164 120.570 0.211 0.000 2.354 51 I HA 0.206 4.629 4.170 0.188 -0.140 0.292 51 I C -0.100 176.269 176.117 0.420 0.000 0.989 51 I CA -3.072 58.392 61.300 0.274 0.000 1.188 51 I CB -0.137 38.055 38.000 0.320 0.000 1.342 51 I HN -0.329 7.814 8.210 0.180 0.176 0.457 52 G N 6.801 115.731 108.800 0.216 0.000 3.020 52 G HA2 0.012 4.182 3.960 0.349 0.000 0.217 52 G HA3 0.012 4.065 3.960 0.155 0.000 0.217 52 G C -1.654 173.264 174.900 0.031 0.000 1.144 52 G CA 0.034 45.260 45.100 0.209 0.000 0.760 52 G HN 0.212 9.154 8.290 0.122 -0.579 0.548 53 S N -4.039 111.416 115.700 -0.410 0.000 2.611 53 S HA 0.026 4.196 4.470 -0.500 0.000 0.268 53 S C -0.814 173.154 174.600 -1.054 0.000 1.156 53 S CA -1.551 56.297 58.200 -0.587 0.000 0.817 53 S CB 1.746 64.860 63.200 -0.143 0.000 1.122 53 S HN -1.068 6.976 8.310 -0.444 0.000 0.466 54 F N 2.009 121.550 119.950 -0.680 0.000 2.216 54 F HA -0.315 4.082 4.527 -0.217 0.000 0.300 54 F C 1.156 176.942 175.800 -0.024 0.000 1.085 54 F CA 4.776 62.655 58.000 -0.201 0.000 1.326 54 F CB 0.280 39.359 39.000 0.131 0.000 1.027 54 F HN 0.747 8.947 8.300 -0.167 0.000 0.497 55 D N -2.028 118.454 120.400 0.137 0.000 2.077 55 D HA -0.362 4.383 4.640 0.175 0.000 0.193 55 D C 1.137 177.469 176.300 0.054 0.000 0.989 55 D CA 3.662 57.733 54.000 0.118 0.000 0.831 55 D CB -0.554 40.299 40.800 0.089 0.000 0.979 55 D HN -0.126 8.281 8.370 0.095 0.020 0.449 56 E N -1.745 118.456 120.200 0.002 0.000 2.086 56 E HA -0.386 3.987 4.350 0.038 0.000 0.200 56 E C 2.509 179.135 176.600 0.044 0.000 1.012 56 E CA 2.544 58.953 56.400 0.016 0.000 0.812 56 E CB 0.076 29.779 29.700 0.005 0.000 0.743 56 E HN -0.750 7.598 8.360 -0.021 0.000 0.453 57 Y N 0.722 120.919 120.300 -0.172 0.000 2.193 57 Y HA -0.399 4.128 4.550 -0.037 0.000 0.285 57 Y C 1.102 176.985 175.900 -0.028 0.000 1.166 57 Y CA 2.252 60.282 58.100 -0.118 0.000 1.181 57 Y CB -0.158 38.115 38.460 -0.311 0.000 0.976 57 Y HN -0.212 8.029 8.280 -0.065 0.000 0.520 58 S N -2.498 113.134 115.700 -0.114 0.000 2.607 58 S HA -0.226 4.072 4.470 -0.286 0.000 0.224 58 S C 1.158 175.733 174.600 -0.042 0.000 0.969 58 S CA 2.665 60.788 58.200 -0.128 0.000 0.927 58 S CB -0.870 62.351 63.200 0.035 0.000 0.772 58 S HN -0.459 7.702 8.310 0.005 0.153 0.533 59 E N 2.637 122.837 120.200 -0.000 0.000 2.070 59 E HA -0.278 4.107 4.350 0.059 0.000 0.197 59 E C -0.512 176.110 176.600 0.037 0.000 1.004 59 E CA 4.778 61.201 56.400 0.040 0.000 0.805 59 E CB -1.794 27.938 29.700 0.053 0.000 0.744 59 E HN -0.134 7.946 8.360 0.002 0.281 0.451 60 P HA -0.196 4.260 4.420 0.061 0.000 0.218 60 P C 1.288 178.616 177.300 0.047 0.000 1.148 60 P CA 3.102 66.225 63.100 0.039 0.000 0.822 60 P CB -0.449 31.269 31.700 0.030 0.000 0.784 61 L N -1.757 119.466 121.223 0.000 0.000 2.027 61 L HA -0.244 4.107 4.340 0.019 0.000 0.206 61 L C 1.299 178.199 176.870 0.050 0.000 1.074 61 L CA 3.148 57.995 54.840 0.012 0.000 0.745 61 L CB -0.362 41.672 42.059 -0.041 0.000 0.898 61 L HN -0.706 7.489 8.230 -0.036 0.014 0.433 62 L N -2.224 119.041 121.223 0.070 0.000 2.046 62 L HA -0.449 3.974 4.340 0.139 0.000 0.208 62 L C 2.304 179.182 176.870 0.013 0.000 1.077 62 L CA 3.539 58.452 54.840 0.121 0.000 0.747 62 L CB -0.802 41.386 42.059 0.217 0.000 0.896 62 L HN -0.517 7.752 8.230 0.064 0.000 0.432 63 T N 1.208 115.788 114.554 0.044 0.000 2.746 63 T HA -0.310 4.046 4.350 0.010 0.000 0.267 63 T C 1.953 176.632 174.700 -0.036 0.000 1.039 63 T CA 4.561 66.671 62.100 0.018 0.000 1.142 63 T CB -0.287 68.614 68.868 0.055 0.000 0.866 63 T HN 0.074 8.353 8.240 0.065 0.000 0.444 64 F N 2.579 122.462 119.950 -0.111 0.000 2.186 64 F HA -0.307 4.166 4.527 -0.091 0.000 0.299 64 F C 0.968 176.639 175.800 -0.215 0.000 1.090 64 F CA 3.489 61.415 58.000 -0.124 0.000 1.307 64 F CB 0.207 39.150 39.000 -0.097 0.000 1.019 64 F HN -0.581 7.815 8.300 0.159 0.000 0.489 65 L N -2.406 118.636 121.223 -0.301 0.000 2.056 65 L HA -0.506 3.560 4.340 -0.456 0.000 0.207 65 L C 2.189 178.584 176.870 -0.791 0.000 1.078 65 L CA 2.742 57.232 54.840 -0.582 0.000 0.749 65 L CB -0.467 41.179 42.059 -0.689 0.000 0.901 65 L HN -0.188 7.956 8.230 -0.143 0.000 0.433 66 E N -0.849 118.890 120.200 -0.768 0.000 2.097 66 E HA -0.436 3.688 4.350 -0.376 0.000 0.196 66 E C 1.362 177.803 176.600 -0.266 0.000 1.000 66 E CA 2.670 58.832 56.400 -0.397 0.000 0.804 66 E CB -0.393 29.242 29.700 -0.108 0.000 0.740 66 E HN -0.163 7.783 8.360 -0.689 0.000 0.454 67 A N -2.114 120.516 122.820 -0.317 0.000 2.209 67 A HA -0.132 4.076 4.320 -0.187 0.000 0.212 67 A C 0.184 177.581 177.584 -0.312 0.000 1.158 67 A CA 0.429 52.297 52.037 -0.282 0.000 0.742 67 A CB -0.234 18.587 19.000 -0.298 0.000 0.790 67 A HN -0.709 7.078 8.150 -0.375 0.138 0.472 68 L N 0.208 121.210 121.223 -0.367 0.000 2.410 68 L HA 0.126 4.306 4.340 -0.267 0.000 0.273 68 L C -1.853 174.929 176.870 -0.147 0.000 1.152 68 L CA -1.992 52.688 54.840 -0.267 0.000 0.855 68 L CB -0.104 41.803 42.059 -0.254 0.000 1.129 68 L HN -0.755 7.011 8.230 -0.424 0.210 0.463 69 P HA 0.210 4.600 4.420 -0.051 0.000 0.270 69 P C -2.225 175.054 177.300 -0.035 0.000 1.223 69 P CA -1.243 61.825 63.100 -0.053 0.000 0.785 69 P CB -0.434 31.244 31.700 -0.037 0.000 0.923 70 P HA -0.116 4.304 4.420 -0.001 0.000 0.265 70 P C 0.501 177.800 177.300 -0.003 0.000 1.187 70 P CA 1.365 64.462 63.100 -0.004 0.000 0.766 70 P CB -0.088 31.613 31.700 0.002 0.000 0.820 71 G N 2.319 111.121 108.800 0.002 0.000 2.241 71 G HA2 -0.403 3.562 3.960 0.008 0.000 0.244 71 G HA3 -0.403 3.561 3.960 0.006 0.000 0.244 71 G C -0.629 174.273 174.900 0.004 0.000 0.998 71 G CA -0.077 45.026 45.100 0.005 0.000 0.621 71 G HN 0.244 8.537 8.290 0.005 0.000 0.519 72 E N 3.124 123.321 120.200 -0.003 0.000 2.223 72 E HA -0.018 4.339 4.350 0.013 0.000 0.282 72 E C -0.823 175.769 176.600 -0.015 0.000 1.046 72 E CA -0.080 56.320 56.400 0.000 0.000 0.857 72 E CB 0.582 30.283 29.700 0.002 0.000 1.055 72 E HN -0.454 7.819 8.360 -0.010 0.081 0.409 73 K N 3.809 124.203 120.400 -0.010 0.000 2.238 73 K HA 0.610 5.066 4.320 -0.040 -0.160 0.239 73 K C -1.046 175.515 176.600 -0.065 0.000 0.987 73 K CA -1.312 54.956 56.287 -0.032 0.000 0.857 73 K CB 2.661 35.151 32.500 -0.016 0.000 1.154 73 K HN 0.225 8.476 8.250 0.002 0.000 0.439 74 V N -4.990 114.859 119.914 -0.108 0.000 3.102 74 V HA 0.745 4.864 4.120 -0.193 -0.115 0.312 74 V C -1.818 174.177 176.094 -0.165 0.000 1.135 74 V CA -3.396 58.792 62.300 -0.187 0.000 1.022 74 V CB 3.625 35.278 31.823 -0.282 0.000 1.056 74 V HN 0.455 8.591 8.190 -0.090 0.000 0.436 75 I N 1.090 121.521 120.570 -0.232 0.000 2.330 75 I HA 0.377 4.664 4.170 -0.116 -0.187 0.289 75 I C -0.520 175.541 176.117 -0.095 0.000 1.001 75 I CA -1.185 60.018 61.300 -0.161 0.000 1.193 75 I CB 0.812 38.678 38.000 -0.223 0.000 1.345 75 I HN 0.020 8.045 8.210 -0.308 0.000 0.461 76 L N 7.841 129.002 121.223 -0.104 0.000 2.371 76 L HA 0.328 4.727 4.340 -0.151 -0.150 0.272 76 L C -0.815 175.956 176.870 -0.164 0.000 1.124 76 L CA -0.338 54.417 54.840 -0.142 0.000 0.816 76 L CB 0.868 42.836 42.059 -0.150 0.000 1.129 76 L HN 0.077 8.246 8.230 -0.101 0.000 0.448 77 V N 2.081 121.865 119.914 -0.216 0.000 2.447 77 V HA 0.667 4.874 4.120 -0.205 -0.210 0.292 77 V C -1.188 174.774 176.094 -0.220 0.000 1.021 77 V CA -1.795 60.361 62.300 -0.241 0.000 0.850 77 V CB 1.648 33.275 31.823 -0.326 0.000 1.005 77 V HN 0.423 8.468 8.190 -0.243 0.000 0.426 78 G N 5.448 114.159 108.800 -0.147 0.000 2.470 78 G HA2 0.684 4.847 3.960 0.031 0.000 0.320 78 G HA3 0.684 4.595 3.960 -0.080 0.000 0.320 78 G C -2.811 172.145 174.900 0.093 0.000 1.245 78 G CA -1.523 43.562 45.100 -0.024 0.000 0.935 78 G HN 0.734 8.897 8.290 -0.211 0.000 0.476 79 E N 4.205 124.475 120.200 0.116 0.000 2.191 79 E HA 0.884 5.729 4.350 0.072 -0.452 0.278 79 E C 0.607 177.208 176.600 0.001 0.000 0.972 79 E CA -2.431 53.949 56.400 -0.033 0.000 0.804 79 E CB 2.305 31.715 29.700 -0.483 0.000 1.110 79 E HN -0.293 8.171 8.360 0.174 0.000 0.394 80 S N 2.399 118.087 115.700 -0.019 0.000 4.138 80 S HA -0.622 3.924 4.470 -0.189 -0.189 0.574 80 S C 1.177 175.992 174.600 0.357 0.000 1.895 80 S CA 2.905 61.104 58.200 -0.002 0.000 4.239 80 S CB -1.256 61.886 63.200 -0.096 0.000 0.264 80 S HN 0.320 8.614 8.310 -0.026 0.000 0.489 81 C N 3.113 122.657 119.300 0.407 0.000 2.491 81 C HA -0.131 4.642 4.460 0.522 0.000 0.277 81 C C 2.513 177.768 174.990 0.442 0.000 1.455 81 C CA 1.749 61.066 59.018 0.500 0.000 1.758 81 C CB -1.679 26.421 27.740 0.600 0.000 1.745 81 C HN -0.077 8.360 8.230 0.345 0.000 0.558 82 G N 0.263 109.251 108.800 0.313 0.000 2.498 82 G HA2 -0.311 4.028 3.960 0.248 0.000 0.219 82 G HA3 -0.311 3.733 3.960 0.139 0.000 0.219 82 G C 0.546 175.547 174.900 0.169 0.000 1.119 82 G CA 2.115 47.344 45.100 0.216 0.000 0.766 82 G HN 0.391 8.608 8.290 0.263 0.231 0.552 83 G N 1.101 110.050 108.800 0.248 0.000 2.462 83 G HA2 -0.292 3.782 3.960 0.189 0.000 0.220 83 G HA3 -0.292 4.217 3.960 0.537 -0.226 0.220 83 G C 1.054 176.034 174.900 0.134 0.000 1.121 83 G CA 1.487 46.772 45.100 0.308 0.000 0.758 83 G HN -0.463 7.982 8.290 0.312 0.033 0.559 84 L N 0.553 121.805 121.223 0.050 0.000 2.093 84 L HA -0.430 3.743 4.340 -0.278 0.000 0.208 84 L C 1.697 178.517 176.870 -0.083 0.000 1.085 84 L CA 3.086 57.811 54.840 -0.192 0.000 0.755 84 L CB -0.250 41.425 42.059 -0.640 0.000 0.904 84 L HN -0.466 7.823 8.230 0.133 0.021 0.435 85 N N -0.488 118.303 118.700 0.151 0.000 2.166 85 N HA -0.300 4.564 4.740 0.207 0.000 0.186 85 N C 2.358 177.866 175.510 -0.003 0.000 1.019 85 N CA 3.602 56.733 53.050 0.135 0.000 0.856 85 N CB -0.185 38.357 38.487 0.092 0.000 0.993 85 N HN -0.625 7.903 8.380 0.246 0.000 0.426 86 I N -0.036 120.503 120.570 -0.052 0.000 2.163 86 I HA -0.554 3.582 4.170 -0.057 0.000 0.243 86 I C 1.256 177.302 176.117 -0.118 0.000 1.085 86 I CA 4.263 65.518 61.300 -0.075 0.000 1.347 86 I CB -0.293 37.628 38.000 -0.130 0.000 1.044 86 I HN -0.304 7.888 8.210 -0.029 0.000 0.408 87 A N -0.438 122.129 122.820 -0.422 0.000 1.902 87 A HA -0.336 3.403 4.320 -0.968 0.000 0.217 87 A C 1.993 179.243 177.584 -0.557 0.000 1.181 87 A CA 3.152 54.546 52.037 -1.071 0.000 0.623 87 A CB -0.838 16.741 19.000 -2.369 0.000 0.818 87 A HN -0.590 7.322 8.150 -0.398 0.000 0.443 88 I N -1.977 118.446 120.570 -0.245 0.000 2.179 88 I HA -0.603 3.716 4.170 0.248 0.000 0.242 88 I C 1.866 178.042 176.117 0.097 0.000 1.088 88 I CA 3.842 65.204 61.300 0.104 0.000 1.357 88 I CB -0.057 38.057 38.000 0.190 0.000 1.051 88 I HN -0.545 7.498 8.210 -0.280 0.000 0.409 89 A N -1.847 121.020 122.820 0.078 0.000 1.902 89 A HA -0.325 4.120 4.320 0.209 0.000 0.217 89 A C 1.773 179.456 177.584 0.164 0.000 1.181 89 A CA 3.004 55.131 52.037 0.150 0.000 0.623 89 A CB -0.786 18.282 19.000 0.113 0.000 0.818 89 A HN -0.209 7.963 8.150 0.037 0.000 0.443 90 A N -3.189 119.707 122.820 0.126 0.000 2.067 90 A HA -0.232 4.182 4.320 0.158 0.000 0.219 90 A C 1.576 179.250 177.584 0.150 0.000 1.158 90 A CA 2.629 54.764 52.037 0.164 0.000 0.661 90 A CB -0.496 18.660 19.000 0.259 0.000 0.801 90 A HN -0.030 8.171 8.150 0.085 0.000 0.452 91 D N -4.684 115.800 120.400 0.140 0.000 2.355 91 D HA -0.069 4.652 4.640 0.134 0.000 0.218 91 D C 0.746 177.054 176.300 0.014 0.000 1.004 91 D CA 1.800 55.875 54.000 0.124 0.000 0.880 91 D CB 0.111 41.029 40.800 0.197 0.000 0.911 91 D HN -0.610 7.814 8.370 0.132 0.025 0.528 92 K N -1.484 118.883 120.400 -0.054 0.000 2.365 92 K HA 0.026 4.160 4.320 -0.311 0.000 0.195 92 K C 0.619 176.823 176.600 -0.661 0.000 1.079 92 K CA 1.001 57.075 56.287 -0.356 0.000 0.979 92 K CB 2.522 34.780 32.500 -0.403 0.000 0.929 92 K HN -0.627 7.461 8.250 0.020 0.174 0.523 93 Y N -3.398 116.928 120.300 0.042 0.000 2.720 93 Y HA 0.325 4.992 4.550 0.020 -0.104 0.264 93 Y C 0.037 175.953 175.900 0.026 0.000 0.989 93 Y CA -1.531 56.583 58.100 0.024 0.000 1.100 93 Y CB -0.200 38.267 38.460 0.011 0.000 1.196 93 Y HN -0.285 8.023 8.280 0.046 0.000 0.631 94 C N 2.815 122.182 119.300 0.111 0.000 2.391 94 C HA -0.461 4.060 4.460 0.102 0.000 0.276 94 C C 0.986 176.024 174.990 0.079 0.000 1.217 94 C CA 3.576 62.649 59.018 0.092 0.000 1.766 94 C CB -0.764 27.015 27.740 0.066 0.000 2.046 94 C HN 0.377 8.644 8.230 0.062 0.000 0.475 95 E N -1.348 118.898 120.200 0.078 0.000 2.418 95 E HA -0.253 4.125 4.350 0.047 0.000 0.197 95 E C -0.022 176.611 176.600 0.056 0.000 1.026 95 E CA 1.779 58.215 56.400 0.059 0.000 0.862 95 E CB -1.286 28.446 29.700 0.054 0.000 0.799 95 E HN 0.475 8.861 8.360 0.083 0.024 0.518 96 K N -3.563 116.882 120.400 0.075 0.000 2.374 96 K HA 0.128 4.459 4.320 0.018 0.000 0.196 96 K C -1.104 175.500 176.600 0.008 0.000 1.023 96 K CA -0.310 55.998 56.287 0.034 0.000 1.103 96 K CB 0.618 33.133 32.500 0.023 0.000 0.848 96 K HN -0.535 7.557 8.250 0.111 0.225 0.528 97 I N -0.654 119.929 120.570 0.022 0.000 2.354 97 I HA 0.271 4.578 4.170 -0.025 -0.151 0.286 97 I C -0.425 175.688 176.117 -0.006 0.000 1.007 97 I CA -1.174 60.126 61.300 0.000 0.000 1.167 97 I CB 0.848 38.862 38.000 0.022 0.000 1.320 97 I HN -0.653 7.509 8.210 0.040 0.072 0.458 98 A N 8.241 131.048 122.820 -0.022 0.000 1.929 98 A HA -0.091 4.239 4.320 0.017 0.000 0.216 98 A C -1.014 176.559 177.584 -0.018 0.000 1.176 98 A CA 1.746 53.782 52.037 -0.001 0.000 0.628 98 A CB 1.049 20.049 19.000 0.001 0.000 0.816 98 A HN 0.501 8.628 8.150 -0.040 0.000 0.444 99 A N -7.132 115.654 122.820 -0.056 0.000 2.586 99 A HA 0.256 4.596 4.320 -0.147 -0.108 0.291 99 A C -2.891 174.643 177.584 -0.083 0.000 1.062 99 A CA -0.234 51.733 52.037 -0.117 0.000 0.666 99 A CB 2.598 21.489 19.000 -0.182 0.000 1.281 99 A HN -0.966 7.152 8.150 -0.054 0.000 0.421 100 A N -0.940 121.833 122.820 -0.078 0.000 2.343 100 A HA 0.905 5.298 4.320 -0.161 -0.170 0.316 100 A C -2.158 175.356 177.584 -0.117 0.000 1.104 100 A CA -1.940 50.015 52.037 -0.136 0.000 0.768 100 A CB 3.005 21.913 19.000 -0.154 0.000 1.213 100 A HN 0.413 8.517 8.150 -0.076 0.000 0.456 101 V N 2.675 122.472 119.914 -0.196 0.000 2.417 101 V HA 0.645 5.023 4.120 0.108 -0.194 0.291 101 V C -1.348 174.607 176.094 -0.231 0.000 1.024 101 V CA -1.827 60.438 62.300 -0.059 0.000 0.861 101 V CB 2.002 33.832 31.823 0.012 0.000 0.985 101 V HN 0.689 8.740 8.190 -0.231 0.000 0.436 102 F N 6.565 126.548 119.950 0.055 0.000 2.404 102 F HA 0.353 5.044 4.527 0.064 -0.125 0.354 102 F C -1.145 174.626 175.800 -0.050 0.000 1.122 102 F CA -1.151 56.856 58.000 0.012 0.000 1.080 102 F CB 1.468 40.467 39.000 -0.002 0.000 1.131 102 F HN 0.705 9.239 8.300 0.390 0.000 0.471 103 H N 5.791 124.869 119.070 0.013 0.000 2.691 103 H HA 0.422 4.951 4.556 -0.046 0.000 0.281 103 H C -0.287 174.973 175.328 -0.113 0.000 1.121 103 H CA -1.682 54.341 56.048 -0.042 0.000 1.254 103 H CB 0.436 30.203 29.762 0.010 0.000 1.390 103 H HN 0.576 8.987 8.280 0.218 0.000 0.491 104 N N 7.487 126.099 118.700 -0.147 0.000 2.698 104 N HA -0.489 4.488 4.740 0.095 -0.181 0.258 104 N C -1.576 173.974 175.510 0.067 0.000 0.978 104 N CA 1.851 54.879 53.050 -0.036 0.000 0.777 104 N CB -1.358 37.011 38.487 -0.197 0.000 0.907 104 N HN 0.313 8.579 8.380 -0.191 0.000 0.543 105 S N -2.988 112.846 115.700 0.222 0.000 2.568 105 S HA 0.479 5.443 4.470 0.434 -0.234 0.302 105 S C -0.368 174.645 174.600 0.688 0.000 1.082 105 S CA -1.720 56.751 58.200 0.451 0.000 1.009 105 S CB 2.263 65.714 63.200 0.418 0.000 1.069 105 S HN -0.454 7.893 8.310 0.062 0.000 0.500 106 V N -0.568 119.814 119.914 0.780 0.000 2.788 106 V HA -0.095 4.580 4.120 0.620 -0.182 0.307 106 V C -1.588 174.774 176.094 0.446 0.000 1.069 106 V CA 0.037 62.695 62.300 0.596 0.000 1.173 106 V CB -0.148 31.968 31.823 0.489 0.000 0.925 106 V HN 0.385 9.070 8.190 0.825 0.000 0.492 107 L N 5.921 127.310 121.223 0.276 0.000 2.457 107 L HA 0.589 4.901 4.340 -0.047 0.000 0.252 107 L C -2.530 174.419 176.870 0.130 0.000 1.132 107 L CA -3.188 51.691 54.840 0.064 0.000 0.938 107 L CB 0.440 42.469 42.059 -0.051 0.000 1.246 107 L HN 0.020 8.727 8.230 0.283 -0.307 0.476 108 P HA 0.061 4.573 4.420 0.155 0.000 0.271 108 P C -1.678 175.660 177.300 0.063 0.000 1.233 108 P CA -0.595 62.569 63.100 0.106 0.000 0.789 108 P CB 0.903 32.556 31.700 -0.079 0.000 0.951 109 D N -1.424 118.941 120.400 -0.058 0.000 2.689 109 D HA 0.277 4.290 4.640 -1.044 0.000 0.255 109 D C -0.460 175.763 176.300 -0.128 0.000 1.113 109 D CA -1.441 52.245 54.000 -0.524 0.000 1.115 109 D CB 2.551 42.952 40.800 -0.666 0.000 1.334 109 D HN -0.011 8.392 8.370 0.055 0.000 0.621 110 T N -8.246 106.178 114.554 -0.217 0.000 3.010 110 T HA 0.084 4.630 4.350 0.160 -0.100 0.257 110 T C -0.224 174.494 174.700 0.030 0.000 1.020 110 T CA 0.429 62.557 62.100 0.046 0.000 0.938 110 T CB 1.165 70.107 68.868 0.125 0.000 1.049 110 T HN -0.109 7.859 8.240 -0.454 0.000 0.522 111 E N -0.527 119.582 120.200 -0.152 0.000 2.476 111 E HA 0.117 4.431 4.350 -0.060 0.000 0.199 111 E C -0.412 175.900 176.600 -0.481 0.000 1.021 111 E CA 0.232 56.482 56.400 -0.251 0.000 0.907 111 E CB 0.692 30.161 29.700 -0.385 0.000 0.974 111 E HN 0.176 8.522 8.360 -0.223 -0.119 0.489 112 H N -1.247 117.591 119.070 -0.387 0.000 2.855 112 H HA 0.109 4.406 4.556 -0.432 0.000 0.363 112 H C -1.346 173.251 175.328 -1.218 0.000 1.185 112 H CA -1.235 54.415 56.048 -0.662 0.000 1.174 112 H CB 3.315 32.458 29.762 -1.032 0.000 1.857 112 H HN -0.402 7.916 8.280 -0.377 -0.264 0.565 113 C N -1.010 117.740 119.300 -0.917 0.000 2.741 113 C HA 0.043 3.469 4.460 -1.722 0.000 0.403 113 C C 0.632 175.335 174.990 -0.478 0.000 1.282 113 C CA -2.285 56.177 59.018 -0.926 0.000 2.053 113 C CB -1.381 26.204 27.740 -0.259 0.000 2.731 113 C HN 0.340 8.288 8.230 -0.470 0.000 0.680 114 P HA -0.203 4.133 4.420 -0.140 0.000 0.219 114 P C 0.117 177.410 177.300 -0.012 0.000 1.146 114 P CA 2.400 65.362 63.100 -0.231 0.000 0.808 114 P CB 0.167 31.586 31.700 -0.467 0.000 0.779 115 S N -3.926 111.771 115.700 -0.006 0.000 2.561 115 S HA -0.211 4.293 4.470 0.056 0.000 0.225 115 S C 0.881 175.547 174.600 0.111 0.000 0.977 115 S CA 1.351 59.583 58.200 0.054 0.000 0.926 115 S CB -0.440 62.783 63.200 0.040 0.000 0.769 115 S HN -0.688 7.535 8.310 -0.049 0.057 0.533 116 Y N 4.040 124.334 120.300 -0.009 0.000 2.069 116 Y HA -0.356 4.195 4.550 0.002 0.000 0.278 116 Y C 1.421 177.392 175.900 0.119 0.000 1.175 116 Y CA 3.752 61.866 58.100 0.024 0.000 1.134 116 Y CB 0.119 38.575 38.460 -0.007 0.000 0.965 116 Y HN -0.085 8.141 8.280 0.200 0.174 0.498 117 V N -5.226 114.808 119.914 0.201 0.000 2.719 117 V HA -0.207 4.044 4.120 0.218 0.000 0.252 117 V C 1.582 177.773 176.094 0.162 0.000 1.065 117 V CA 3.211 65.666 62.300 0.259 0.000 1.086 117 V CB -0.957 31.120 31.823 0.424 0.000 0.700 117 V HN -0.141 8.218 8.190 0.283 0.000 0.467 118 V N 2.741 122.708 119.914 0.089 0.000 2.358 118 V HA -0.450 3.668 4.120 -0.003 0.000 0.246 118 V C 2.007 178.055 176.094 -0.077 0.000 1.047 118 V CA 4.049 66.358 62.300 0.015 0.000 1.035 118 V CB -0.945 30.912 31.823 0.058 0.000 0.658 118 V HN -0.864 7.395 8.190 0.114 0.000 0.452 119 D N -0.010 120.343 120.400 -0.080 0.000 2.123 119 D HA -0.350 4.227 4.640 -0.106 0.000 0.196 119 D C 2.450 178.616 176.300 -0.222 0.000 0.992 119 D CA 3.614 57.537 54.000 -0.127 0.000 0.833 119 D CB -0.805 39.938 40.800 -0.096 0.000 0.954 119 D HN 0.024 8.369 8.370 -0.041 0.000 0.455 120 K N -0.132 120.070 120.400 -0.330 0.000 2.057 120 K HA -0.219 3.798 4.320 -0.504 0.000 0.206 120 K C 1.992 178.332 176.600 -0.433 0.000 1.050 120 K CA 2.144 58.127 56.287 -0.507 0.000 0.935 120 K CB -0.284 31.618 32.500 -0.996 0.000 0.715 120 K HN -0.749 7.309 8.250 -0.303 0.011 0.439 121 L N 0.210 121.124 121.223 -0.515 0.000 2.042 121 L HA -0.343 3.169 4.340 -1.379 0.000 0.210 121 L C 1.448 178.111 176.870 -0.345 0.000 1.076 121 L CA 3.373 57.679 54.840 -0.890 0.000 0.749 121 L CB -0.242 41.217 42.059 -1.000 0.000 0.893 121 L HN -0.251 7.756 8.230 -0.371 0.000 0.432 122 M N -5.126 114.371 119.600 -0.172 0.000 2.460 122 M HA -0.212 4.347 4.480 0.132 0.000 0.263 122 M C 2.250 178.514 176.300 -0.060 0.000 1.071 122 M CA 0.386 55.672 55.300 -0.022 0.000 1.096 122 M CB -1.518 31.046 32.600 -0.060 0.000 1.408 122 M HN -0.291 7.863 8.290 -0.204 0.014 0.463 123 E N -1.142 118.972 120.200 -0.143 0.000 2.190 123 E HA -0.191 4.096 4.350 -0.105 0.000 0.191 123 E C 2.038 178.567 176.600 -0.117 0.000 0.978 123 E CA 1.909 58.228 56.400 -0.135 0.000 0.839 123 E CB 0.211 29.803 29.700 -0.180 0.000 0.787 123 E HN -0.612 7.470 8.360 -0.200 0.158 0.473 124 V N -1.542 118.288 119.914 -0.141 0.000 2.488 124 V HA -0.197 3.883 4.120 -0.068 0.000 0.246 124 V C 0.201 176.303 176.094 0.013 0.000 1.046 124 V CA 3.115 65.370 62.300 -0.076 0.000 1.053 124 V CB 0.722 32.497 31.823 -0.081 0.000 0.679 124 V HN -0.529 7.540 8.190 -0.202 0.000 0.458 125 F N -0.268 119.597 119.950 -0.141 0.000 2.660 125 F HA 0.561 5.030 4.527 -0.097 0.000 0.352 125 F C -2.733 173.108 175.800 0.069 0.000 1.257 125 F CA -3.209 54.728 58.000 -0.104 0.000 1.200 125 F CB 2.125 40.983 39.000 -0.237 0.000 1.473 125 F HN -0.213 8.107 8.300 0.034 0.000 0.561 126 P HA 0.204 4.918 4.420 0.124 -0.219 0.230 126 P C -0.929 176.415 177.300 0.074 0.000 1.168 126 P CA 0.729 63.836 63.100 0.012 0.000 0.793 126 P CB 0.282 31.946 31.700 -0.061 0.000 0.851 127 D N -1.258 119.012 120.400 -0.216 0.000 2.427 127 D HA -0.019 4.670 4.640 0.081 0.000 0.226 127 D C -0.889 175.383 176.300 -0.047 0.000 1.076 127 D CA -1.179 52.771 54.000 -0.084 0.000 0.849 127 D CB -0.528 40.161 40.800 -0.184 0.000 1.052 127 D HN -0.332 7.700 8.370 -0.563 0.000 0.515 128 W N 4.679 125.989 121.300 0.018 0.000 3.391 128 W HA 0.039 4.894 4.660 0.325 0.000 0.372 128 W C -0.584 176.022 176.519 0.145 0.000 1.171 128 W CA -1.230 56.235 57.345 0.200 0.000 1.862 128 W CB -0.679 28.950 29.460 0.282 0.000 1.048 128 W HN 0.355 8.886 8.180 0.585 0.000 0.726 129 K N -1.770 118.767 120.400 0.228 0.000 1.979 129 K HA -0.429 4.020 4.320 0.108 -0.063 0.143 129 K C -0.533 176.156 176.600 0.149 0.000 1.185 129 K CA 2.067 58.445 56.287 0.152 0.000 0.336 129 K CB -1.718 30.864 32.500 0.137 0.000 0.680 129 K HN -0.184 8.376 8.250 0.180 -0.202 0.783 130 D N -1.813 118.665 120.400 0.130 0.000 2.325 130 D HA 0.025 4.708 4.640 0.071 0.000 0.225 130 D C 0.519 176.849 176.300 0.050 0.000 1.096 130 D CA -0.287 53.762 54.000 0.082 0.000 0.844 130 D CB -0.536 40.302 40.800 0.063 0.000 0.925 130 D HN 0.116 8.571 8.370 0.142 0.000 0.513 131 T N 4.375 118.982 114.554 0.089 0.000 2.934 131 T HA -0.170 4.380 4.350 -0.030 -0.218 0.306 131 T C 0.443 174.996 174.700 -0.246 0.000 1.042 131 T CA 2.648 64.721 62.100 -0.045 0.000 1.145 131 T CB 0.383 69.283 68.868 0.053 0.000 0.982 131 T HN -0.505 7.764 8.240 0.167 0.072 0.544 132 T N 3.830 118.196 114.554 -0.314 0.000 2.925 132 T HA 0.296 4.546 4.350 -0.166 0.000 0.285 132 T C -1.633 172.795 174.700 -0.453 0.000 1.021 132 T CA -1.846 60.102 62.100 -0.253 0.000 1.042 132 T CB 2.293 71.118 68.868 -0.073 0.000 1.037 132 T HN 0.168 8.262 8.240 -0.243 0.000 0.481 133 Y N -0.234 120.116 120.300 0.082 0.000 2.576 133 Y HA 0.702 5.410 4.550 -0.028 -0.175 0.346 133 Y C -0.504 175.491 175.900 0.159 0.000 1.018 133 Y CA -1.802 56.312 58.100 0.023 0.000 1.050 133 Y CB 4.046 42.456 38.460 -0.084 0.000 1.280 133 Y HN -0.001 8.354 8.280 0.125 0.000 0.474 134 F N -2.585 117.450 119.950 0.143 0.000 2.711 134 F HA 0.454 5.028 4.527 0.079 0.000 0.313 134 F C -2.333 173.519 175.800 0.086 0.000 1.141 134 F CA -1.429 56.626 58.000 0.092 0.000 0.941 134 F CB 2.172 41.215 39.000 0.071 0.000 1.349 134 F HN 0.375 8.556 8.300 -0.199 0.000 0.464 135 T N 1.302 115.969 114.554 0.187 0.000 2.841 135 T HA 0.855 5.348 4.350 -0.112 -0.210 0.283 135 T C -1.228 173.625 174.700 0.254 0.000 1.000 135 T CA -0.601 61.531 62.100 0.054 0.000 0.977 135 T CB 2.323 71.189 68.868 -0.004 0.000 0.979 135 T HN -0.147 8.269 8.240 0.293 0.000 0.446 136 Y N 2.421 122.767 120.300 0.076 0.000 2.609 136 Y HA 0.380 4.997 4.550 0.111 0.000 0.342 136 Y C -2.433 173.505 175.900 0.063 0.000 1.058 136 Y CA -2.233 55.932 58.100 0.108 0.000 1.055 136 Y CB 1.915 40.476 38.460 0.169 0.000 1.292 136 Y HN 0.503 8.654 8.280 -0.214 0.000 0.476 137 T N 1.940 116.612 114.554 0.198 0.000 2.797 137 T HA 0.758 5.361 4.350 -0.031 -0.272 0.279 137 T C -0.581 174.236 174.700 0.195 0.000 0.991 137 T CA -0.724 61.426 62.100 0.084 0.000 0.979 137 T CB 1.280 70.192 68.868 0.073 0.000 0.943 137 T HN -0.017 8.402 8.240 0.298 0.000 0.444 138 K N 4.764 125.244 120.400 0.135 0.000 2.535 138 K HA 0.144 4.571 4.320 0.178 0.000 0.251 138 K C -1.100 175.565 176.600 0.107 0.000 0.942 138 K CA -0.743 55.653 56.287 0.181 0.000 0.798 138 K CB 2.972 35.659 32.500 0.312 0.000 1.267 138 K HN 0.358 8.638 8.250 0.050 0.000 0.434 139 D N 6.027 126.483 120.400 0.092 0.000 2.701 139 D HA -0.267 4.410 4.640 0.061 0.000 0.235 139 D C -0.428 175.901 176.300 0.048 0.000 1.155 139 D CA 1.485 55.524 54.000 0.066 0.000 0.649 139 D CB -1.367 39.473 40.800 0.066 0.000 1.050 139 D HN 0.642 9.072 8.370 0.100 0.000 0.425 140 G N -5.637 103.190 108.800 0.045 0.000 2.162 140 G HA2 -0.468 3.510 3.960 0.030 0.000 0.260 140 G HA3 -0.468 3.508 3.960 0.027 0.000 0.260 140 G C -1.024 173.887 174.900 0.018 0.000 0.976 140 G CA 0.051 45.169 45.100 0.030 0.000 0.655 140 G HN 0.084 8.375 8.290 0.054 0.031 0.533 141 K N 0.753 121.161 120.400 0.013 0.000 2.259 141 K HA 0.330 4.643 4.320 -0.012 0.000 0.249 141 K C -1.309 175.258 176.600 -0.055 0.000 0.942 141 K CA -2.151 54.129 56.287 -0.012 0.000 0.816 141 K CB 1.672 34.172 32.500 -0.000 0.000 1.155 141 K HN -0.584 7.516 8.250 0.025 0.165 0.428 142 E N 2.217 122.369 120.200 -0.079 0.000 2.152 142 E HA 0.339 4.758 4.350 -0.148 -0.158 0.285 142 E C -0.196 176.270 176.600 -0.223 0.000 1.043 142 E CA -0.910 55.408 56.400 -0.136 0.000 0.839 142 E CB -0.244 29.401 29.700 -0.091 0.000 1.069 142 E HN 0.255 8.579 8.360 -0.060 0.000 0.399 143 I N 6.435 126.749 120.570 -0.427 0.000 2.412 143 I HA 0.085 4.041 4.170 -0.357 0.000 0.296 143 I C -0.798 174.980 176.117 -0.564 0.000 0.987 143 I CA -0.862 60.103 61.300 -0.558 0.000 1.180 143 I CB 2.919 40.404 38.000 -0.857 0.000 1.340 143 I HN 0.784 8.694 8.210 -0.501 0.000 0.455 144 T N 8.605 122.902 114.554 -0.428 0.000 2.728 144 T HA 0.381 4.662 4.350 -0.387 -0.163 0.296 144 T C 0.061 174.455 174.700 -0.510 0.000 0.940 144 T CA 0.485 62.344 62.100 -0.401 0.000 1.013 144 T CB 0.109 68.797 68.868 -0.301 0.000 0.912 144 T HN 0.526 8.544 8.240 -0.370 0.000 0.484 145 G N 4.149 112.467 108.800 -0.802 0.000 2.451 145 G HA2 0.760 4.490 3.960 -0.626 0.000 0.303 145 G HA3 0.760 3.566 3.960 -1.923 0.000 0.303 145 G C -2.320 172.109 174.900 -0.786 0.000 1.166 145 G CA -1.597 42.849 45.100 -1.090 0.000 0.884 145 G HN 0.348 8.094 8.290 -0.907 0.000 0.514 146 L N -6.612 114.417 121.223 -0.323 0.000 2.415 146 L HA 1.047 5.454 4.340 -0.183 -0.177 0.256 146 L C -2.414 174.499 176.870 0.071 0.000 1.010 146 L CA -1.607 53.147 54.840 -0.144 0.000 0.826 146 L CB 4.248 46.174 42.059 -0.222 0.000 1.405 146 L HN 0.367 8.454 8.230 -0.240 0.000 0.410 147 K N 0.846 121.256 120.400 0.017 0.000 2.502 147 K HA 0.417 4.798 4.320 0.102 0.000 0.254 147 K C -1.348 175.269 176.600 0.029 0.000 0.947 147 K CA -1.862 54.459 56.287 0.058 0.000 0.834 147 K CB 2.896 35.421 32.500 0.042 0.000 1.112 147 K HN 0.054 8.244 8.250 -0.100 0.000 0.427 148 L N 6.126 127.432 121.223 0.137 0.000 2.540 148 L HA -0.163 4.321 4.340 0.239 0.000 0.276 148 L C 0.916 177.913 176.870 0.211 0.000 1.212 148 L CA 0.332 55.308 54.840 0.226 0.000 0.893 148 L CB -0.064 42.192 42.059 0.328 0.000 1.138 148 L HN 0.406 8.733 8.230 0.161 0.000 0.491 149 G N 1.006 109.924 108.800 0.198 0.000 2.491 149 G HA2 0.033 4.022 3.960 0.047 0.000 0.242 149 G HA3 0.033 4.249 3.960 0.149 -0.166 0.242 149 G C 0.293 175.410 174.900 0.362 0.000 1.266 149 G CA -0.620 44.581 45.100 0.169 0.000 0.844 149 G HN -0.175 8.244 8.290 0.216 0.000 0.571 150 F N 2.777 122.790 119.950 0.104 0.000 2.234 150 F HA -0.168 4.459 4.527 0.166 0.000 0.299 150 F C 1.901 177.825 175.800 0.207 0.000 1.087 150 F CA 0.567 58.659 58.000 0.154 0.000 1.340 150 F CB -0.666 38.396 39.000 0.104 0.000 1.031 150 F HN 0.264 8.724 8.300 0.203 -0.038 0.500 151 T N 2.601 117.346 114.554 0.318 0.000 2.777 151 T HA -0.308 4.148 4.350 0.176 0.000 0.266 151 T C 1.568 176.374 174.700 0.177 0.000 1.040 151 T CA 4.580 66.799 62.100 0.198 0.000 1.141 151 T CB 0.043 68.994 68.868 0.139 0.000 0.868 151 T HN -0.072 8.792 8.240 0.286 -0.453 0.444 152 L N 2.803 124.150 121.223 0.208 0.000 2.012 152 L HA -0.251 4.187 4.340 0.163 0.000 0.210 152 L C 1.863 178.862 176.870 0.215 0.000 1.073 152 L CA 3.202 58.160 54.840 0.197 0.000 0.748 152 L CB -0.305 41.891 42.059 0.227 0.000 0.891 152 L HN -0.540 8.085 8.230 0.220 -0.263 0.431 153 L N -2.569 118.839 121.223 0.309 0.000 2.012 153 L HA -0.546 4.076 4.340 0.471 0.000 0.210 153 L C 2.012 179.079 176.870 0.329 0.000 1.073 153 L CA 3.497 58.581 54.840 0.408 0.000 0.748 153 L CB -0.757 41.542 42.059 0.400 0.000 0.891 153 L HN 0.018 8.449 8.230 0.334 0.000 0.431 154 R N -1.814 118.755 120.500 0.116 0.000 2.075 154 R HA -0.421 3.532 4.340 -0.646 0.000 0.232 154 R C 2.074 178.306 176.300 -0.114 0.000 1.126 154 R CA 3.702 59.602 56.100 -0.334 0.000 0.963 154 R CB 0.109 30.094 30.300 -0.524 0.000 0.858 154 R HN -0.265 8.127 8.270 0.203 0.000 0.435 155 E N -4.528 115.670 120.200 -0.003 0.000 2.251 155 E HA -0.069 4.271 4.350 -0.018 0.000 0.194 155 E C 1.655 178.272 176.600 0.028 0.000 0.964 155 E CA 2.317 58.722 56.400 0.009 0.000 0.868 155 E CB 0.816 30.533 29.700 0.029 0.000 0.828 155 E HN -0.145 8.237 8.360 0.036 0.000 0.481 156 N N -1.750 116.974 118.700 0.041 0.000 2.460 156 N HA 0.083 4.807 4.740 -0.027 0.000 0.193 156 N C 0.695 176.158 175.510 -0.080 0.000 1.080 156 N CA 2.398 55.430 53.050 -0.031 0.000 0.869 156 N CB 1.609 40.055 38.487 -0.069 0.000 1.201 156 N HN -0.163 8.259 8.380 0.070 0.000 0.457 157 L N -1.128 120.111 121.223 0.026 0.000 2.269 157 L HA -0.028 4.256 4.340 -0.094 0.000 0.200 157 L C -0.163 176.666 176.870 -0.069 0.000 1.069 157 L CA 2.247 57.091 54.840 0.007 0.000 0.804 157 L CB 1.102 43.257 42.059 0.159 0.000 0.987 157 L HN -0.680 7.619 8.230 0.116 0.000 0.468 158 Y N -5.203 115.147 120.300 0.082 0.000 2.720 158 Y HA 0.374 4.974 4.550 0.084 0.000 0.277 158 Y C 0.682 176.585 175.900 0.004 0.000 1.144 158 Y CA -1.203 56.943 58.100 0.076 0.000 1.221 158 Y CB -1.383 37.170 38.460 0.155 0.000 1.163 158 Y HN -0.179 8.327 8.280 0.376 0.000 0.537 159 T N 2.357 116.958 114.554 0.078 0.000 2.649 159 T HA -0.323 4.360 4.350 0.009 -0.327 0.268 159 T C 0.677 175.387 174.700 0.017 0.000 1.036 159 T CA 4.523 66.638 62.100 0.025 0.000 1.157 159 T CB -0.077 68.797 68.868 0.010 0.000 0.861 159 T HN -0.054 8.144 8.240 0.056 0.076 0.445 160 L N -2.488 118.751 121.223 0.026 0.000 2.857 160 L HA 0.160 4.508 4.340 0.013 0.000 0.249 160 L C -0.350 176.546 176.870 0.043 0.000 1.172 160 L CA -0.807 54.045 54.840 0.020 0.000 0.980 160 L CB 0.591 42.652 42.059 0.004 0.000 1.299 160 L HN -0.485 8.081 8.230 0.028 -0.319 0.535 161 C N 0.167 119.521 119.300 0.091 0.000 2.595 161 C HA 0.107 4.630 4.460 0.105 0.000 0.384 161 C C 0.962 176.021 174.990 0.114 0.000 1.289 161 C CA 0.546 59.646 59.018 0.137 0.000 2.372 161 C CB 0.345 28.256 27.740 0.286 0.000 2.593 161 C HN -0.498 7.669 8.230 0.107 0.127 0.639 162 G N -0.408 108.459 108.800 0.111 0.000 2.569 162 G HA2 0.254 4.252 3.960 0.065 0.000 0.249 162 G HA3 0.254 4.260 3.960 0.078 0.000 0.249 162 G C -1.670 173.294 174.900 0.107 0.000 1.216 162 G CA -1.312 43.839 45.100 0.086 0.000 0.845 162 G HN 0.147 8.785 8.290 0.116 -0.278 0.568 163 P HA -0.290 4.223 4.420 0.155 0.000 0.217 163 P C 0.838 178.183 177.300 0.075 0.000 1.148 163 P CA 2.463 65.625 63.100 0.103 0.000 0.828 163 P CB 0.108 31.845 31.700 0.061 0.000 0.783 164 E N -4.638 115.592 120.200 0.050 0.000 2.216 164 E HA -0.143 4.192 4.350 -0.026 0.000 0.192 164 E C 2.504 179.111 176.600 0.011 0.000 0.988 164 E CA 2.825 59.231 56.400 0.010 0.000 0.834 164 E CB -1.043 28.669 29.700 0.021 0.000 0.772 164 E HN 0.733 9.079 8.360 0.060 0.049 0.479 165 E N 0.861 121.116 120.200 0.091 0.000 2.076 165 E HA -0.236 4.203 4.350 0.148 0.000 0.190 165 E C 1.928 178.553 176.600 0.041 0.000 0.979 165 E CA 2.600 59.090 56.400 0.151 0.000 0.807 165 E CB 0.011 29.874 29.700 0.272 0.000 0.761 165 E HN -0.635 7.674 8.360 0.112 0.118 0.454 166 Y N 0.614 120.847 120.300 -0.112 0.000 2.207 166 Y HA -0.467 3.734 4.550 -0.581 0.000 0.287 166 Y C 1.503 177.179 175.900 -0.373 0.000 1.156 166 Y CA 2.728 60.633 58.100 -0.324 0.000 1.182 166 Y CB 0.048 38.399 38.460 -0.181 0.000 0.979 166 Y HN -0.339 8.065 8.280 0.206 0.000 0.521 167 E N -0.797 119.165 120.200 -0.398 0.000 2.085 167 E HA -0.403 3.544 4.350 -0.672 0.000 0.194 167 E C 2.065 178.354 176.600 -0.518 0.000 0.994 167 E CA 2.920 59.022 56.400 -0.496 0.000 0.801 167 E CB -0.771 28.765 29.700 -0.274 0.000 0.743 167 E HN -0.351 7.884 8.360 -0.175 0.020 0.453 168 L N -0.979 120.001 121.223 -0.406 0.000 2.079 168 L HA -0.280 3.758 4.340 -0.504 0.000 0.210 168 L C 1.191 177.626 176.870 -0.725 0.000 1.081 168 L CA 3.178 57.718 54.840 -0.500 0.000 0.752 168 L CB -0.373 41.486 42.059 -0.334 0.000 0.896 168 L HN -0.749 7.148 8.230 -0.299 0.153 0.433 169 A N -1.595 120.846 122.820 -0.632 0.000 1.898 169 A HA -0.360 3.660 4.320 -0.501 0.000 0.216 169 A C 2.150 179.356 177.584 -0.631 0.000 1.181 169 A CA 3.202 54.891 52.037 -0.580 0.000 0.620 169 A CB -0.735 17.816 19.000 -0.749 0.000 0.819 169 A HN -0.409 7.405 8.150 -0.545 0.009 0.442 170 K N -2.264 117.616 120.400 -0.867 0.000 2.057 170 K HA -0.301 3.338 4.320 -1.134 0.000 0.207 170 K C 2.306 178.580 176.600 -0.544 0.000 1.049 170 K CA 2.691 58.371 56.287 -1.011 0.000 0.931 170 K CB -0.065 31.597 32.500 -1.396 0.000 0.714 170 K HN -0.452 7.215 8.250 -0.972 0.000 0.440 171 M N -2.727 116.566 119.600 -0.511 0.000 2.156 171 M HA -0.284 4.029 4.480 -0.279 0.000 0.264 171 M C 1.714 177.796 176.300 -0.365 0.000 1.067 171 M CA 3.230 58.304 55.300 -0.375 0.000 1.131 171 M CB 0.626 32.993 32.600 -0.388 0.000 1.368 171 M HN -0.403 7.536 8.290 -0.585 0.000 0.416 172 L N -6.785 114.109 121.223 -0.548 0.000 2.575 172 L HA 0.215 4.304 4.340 -0.419 0.000 0.228 172 L C 0.312 177.024 176.870 -0.263 0.000 1.075 172 L CA -0.177 54.314 54.840 -0.583 0.000 0.867 172 L CB 0.876 42.135 42.059 -1.333 0.000 1.097 172 L HN -0.286 7.552 8.230 -0.653 0.000 0.485 173 T N 0.197 114.646 114.554 -0.175 0.000 2.940 173 T HA -0.130 4.450 4.350 0.105 -0.167 0.309 173 T C -0.371 174.350 174.700 0.036 0.000 1.056 173 T CA 0.988 63.093 62.100 0.009 0.000 1.137 173 T CB 0.770 69.623 68.868 -0.025 0.000 0.976 173 T HN -0.499 7.569 8.240 -0.286 0.000 0.547 174 R N 3.261 123.810 120.500 0.080 0.000 2.892 174 R HA 0.333 4.701 4.340 0.046 0.000 0.265 174 R C -1.138 175.221 176.300 0.098 0.000 1.025 174 R CA -1.812 54.332 56.100 0.073 0.000 0.982 174 R CB 3.682 34.028 30.300 0.077 0.000 1.185 174 R HN -0.143 8.189 8.270 0.104 0.000 0.484 175 K N 0.509 120.961 120.400 0.087 0.000 2.436 175 K HA 0.075 4.687 4.320 0.183 -0.181 0.275 175 K C -0.804 175.886 176.600 0.150 0.000 0.999 175 K CA 0.492 56.876 56.287 0.161 0.000 0.980 175 K CB 0.037 32.645 32.500 0.180 0.000 0.919 175 K HN 0.271 8.551 8.250 0.050 0.000 0.484 176 G N 1.283 110.158 108.800 0.125 0.000 2.870 176 G HA2 0.329 4.288 3.960 -0.002 0.000 0.299 176 G HA3 0.329 4.288 3.960 -0.003 0.000 0.299 176 G C -2.799 172.003 174.900 -0.164 0.000 1.324 176 G CA -1.244 43.854 45.100 -0.003 0.000 0.808 176 G HN 0.324 8.703 8.290 0.148 0.000 0.535 177 S N -1.879 113.588 115.700 -0.387 0.000 2.537 177 S HA 0.233 4.436 4.470 -0.445 0.000 0.271 177 S C -1.136 173.123 174.600 -0.569 0.000 1.148 177 S CA -0.604 57.212 58.200 -0.639 0.000 0.868 177 S CB 1.740 64.222 63.200 -1.198 0.000 1.115 177 S HN -0.042 8.027 8.310 -0.401 0.000 0.461 178 L N 2.019 123.071 121.223 -0.284 0.000 2.509 178 L HA 0.093 4.639 4.340 0.343 0.000 0.222 178 L C 0.362 177.432 176.870 0.333 0.000 1.123 178 L CA 0.669 55.584 54.840 0.123 0.000 0.856 178 L CB 0.894 43.016 42.059 0.105 0.000 0.985 178 L HN 0.725 8.780 8.230 -0.290 0.000 0.456 179 F N -5.301 114.707 119.950 0.098 0.000 3.074 179 F HA -0.499 4.035 4.527 0.011 0.000 0.287 179 F C 0.400 176.265 175.800 0.107 0.000 0.932 179 F CA 0.461 58.522 58.000 0.101 0.000 0.995 179 F CB -3.182 35.935 39.000 0.196 0.000 0.966 179 F HN -0.647 7.335 8.300 -0.458 0.043 0.721 180 Q N 0.237 120.114 119.800 0.129 0.000 2.084 180 Q HA -0.501 3.920 4.340 0.134 0.000 0.202 180 Q C 1.047 177.088 176.000 0.067 0.000 0.978 180 Q CA 4.010 59.866 55.803 0.089 0.000 0.844 180 Q CB 0.175 28.912 28.738 -0.001 0.000 0.898 180 Q HN 0.349 8.638 8.270 0.031 0.000 0.426 181 N N -2.182 116.538 118.700 0.034 0.000 2.331 181 N HA -0.214 4.534 4.740 0.014 0.000 0.180 181 N C 1.482 177.025 175.510 0.054 0.000 1.019 181 N CA 2.481 55.544 53.050 0.022 0.000 0.881 181 N CB -1.374 37.104 38.487 -0.015 0.000 0.972 181 N HN 0.041 8.427 8.380 0.011 0.000 0.435 182 I N 0.027 120.662 120.570 0.108 0.000 2.333 182 I HA -0.246 3.972 4.170 0.081 0.000 0.246 182 I C 2.226 178.404 176.117 0.101 0.000 1.106 182 I CA 1.376 62.747 61.300 0.117 0.000 1.411 182 I CB -0.942 37.167 38.000 0.181 0.000 1.082 182 I HN -0.898 7.369 8.210 0.139 0.026 0.420 183 L N -0.239 121.063 121.223 0.133 0.000 2.079 183 L HA -0.428 3.938 4.340 0.044 0.000 0.210 183 L C 2.886 179.765 176.870 0.015 0.000 1.081 183 L CA 3.121 58.002 54.840 0.067 0.000 0.752 183 L CB -0.926 41.183 42.059 0.083 0.000 0.896 183 L HN 0.128 8.472 8.230 0.191 0.000 0.433 184 A N -2.588 120.252 122.820 0.034 0.000 2.019 184 A HA -0.193 4.137 4.320 0.018 0.000 0.219 184 A C 0.645 178.251 177.584 0.037 0.000 1.164 184 A CA 2.321 54.375 52.037 0.027 0.000 0.644 184 A CB -0.377 18.642 19.000 0.030 0.000 0.805 184 A HN -0.325 7.835 8.150 0.051 0.021 0.449 185 K N -4.773 115.648 120.400 0.035 0.000 2.358 185 K HA 0.086 4.436 4.320 0.050 0.000 0.197 185 K C -0.402 176.217 176.600 0.032 0.000 1.025 185 K CA -0.626 55.684 56.287 0.039 0.000 1.104 185 K CB 0.768 33.286 32.500 0.031 0.000 0.855 185 K HN -0.628 7.607 8.250 0.036 0.037 0.531 186 R N 1.801 122.307 120.500 0.009 0.000 2.539 186 R HA 0.122 4.456 4.340 -0.009 0.000 0.275 186 R C -2.236 174.060 176.300 -0.007 0.000 1.077 186 R CA -1.502 54.584 56.100 -0.024 0.000 1.097 186 R CB 0.247 30.497 30.300 -0.084 0.000 1.018 186 R HN -0.875 7.220 8.270 0.002 0.177 0.483 187 P HA -0.091 4.364 4.420 0.057 0.000 0.266 187 P C -1.240 176.071 177.300 0.019 0.000 1.193 187 P CA 0.064 63.178 63.100 0.023 0.000 0.770 187 P CB 0.466 32.157 31.700 -0.015 0.000 0.836 188 F N -0.051 119.772 119.950 -0.211 0.000 2.506 188 F HA -0.143 4.163 4.527 -0.367 0.000 0.351 188 F C 0.947 176.596 175.800 -0.252 0.000 1.136 188 F CA -0.756 57.088 58.000 -0.259 0.000 1.298 188 F CB 0.168 39.093 39.000 -0.125 0.000 1.145 188 F HN -0.325 8.156 8.300 0.300 0.000 0.593 189 F N 2.033 122.065 119.950 0.137 0.000 2.563 189 F HA -0.045 4.699 4.527 0.083 -0.167 0.363 189 F C 1.104 177.010 175.800 0.177 0.000 1.123 189 F CA 0.547 58.610 58.000 0.106 0.000 1.307 189 F CB 0.105 39.112 39.000 0.011 0.000 1.115 189 F HN 0.435 8.501 8.300 -0.390 0.000 0.592 190 T N -0.640 114.133 114.554 0.364 0.000 2.909 190 T HA 0.214 4.682 4.350 0.197 0.000 0.286 190 T C 0.906 175.742 174.700 0.228 0.000 1.002 190 T CA -1.270 60.971 62.100 0.234 0.000 1.074 190 T CB 2.382 71.347 68.868 0.160 0.000 0.984 190 T HN 0.142 9.082 8.240 0.403 -0.458 0.495 191 K N 3.516 124.007 120.400 0.151 0.000 2.097 191 K HA -0.312 4.088 4.320 0.133 0.000 0.205 191 K C 1.657 178.311 176.600 0.089 0.000 1.050 191 K CA 3.616 59.972 56.287 0.116 0.000 0.938 191 K CB -0.386 32.159 32.500 0.075 0.000 0.718 191 K HN 0.564 8.891 8.250 0.128 0.000 0.442 192 E N -2.422 117.826 120.200 0.080 0.000 2.204 192 E HA -0.164 4.214 4.350 0.045 0.000 0.194 192 E C 0.490 177.131 176.600 0.068 0.000 0.989 192 E CA 1.759 58.194 56.400 0.059 0.000 0.824 192 E CB -0.387 29.340 29.700 0.046 0.000 0.756 192 E HN 0.107 8.517 8.360 0.083 0.000 0.477 193 G N -1.490 107.372 108.800 0.103 0.000 2.593 193 G HA2 0.005 4.020 3.960 0.093 0.000 0.212 193 G HA3 0.005 4.196 3.960 0.141 -0.146 0.212 193 G C -0.051 174.946 174.900 0.162 0.000 1.934 193 G CA 0.083 45.257 45.100 0.124 0.000 0.861 193 G HN -0.699 7.618 8.290 0.124 0.047 0.629 194 Y N 4.909 125.264 120.300 0.091 0.000 2.114 194 Y HA -0.398 4.193 4.550 0.069 0.000 0.282 194 Y C 2.289 178.264 175.900 0.124 0.000 1.165 194 Y CA 2.412 60.565 58.100 0.088 0.000 1.148 194 Y CB 0.009 38.504 38.460 0.058 0.000 0.972 194 Y HN 0.046 8.873 8.280 0.340 -0.343 0.504 195 G N -4.568 104.244 108.800 0.019 0.000 2.448 195 G HA2 -0.420 3.473 3.960 -0.112 0.000 0.219 195 G HA3 -0.420 3.652 3.960 0.056 -0.078 0.219 195 G C 1.065 175.921 174.900 -0.074 0.000 1.127 195 G CA 1.738 46.812 45.100 -0.044 0.000 0.766 195 G HN 0.144 8.535 8.290 0.168 0.000 0.552 196 S N -0.055 115.626 115.700 -0.033 0.000 2.496 196 S HA -0.126 4.324 4.470 -0.033 0.000 0.224 196 S C 0.685 175.254 174.600 -0.053 0.000 0.996 196 S CA 0.791 58.973 58.200 -0.030 0.000 0.927 196 S CB 0.262 63.465 63.200 0.006 0.000 0.774 196 S HN -0.507 7.764 8.310 0.002 0.041 0.524 197 I N -2.572 117.954 120.570 -0.073 0.000 2.720 197 I HA 0.067 4.211 4.170 -0.043 0.000 0.287 197 I C -0.568 175.481 176.117 -0.113 0.000 1.090 197 I CA 0.250 61.512 61.300 -0.063 0.000 1.384 197 I CB 1.001 38.993 38.000 -0.013 0.000 1.420 197 I HN -0.935 7.179 8.210 -0.090 0.041 0.575 198 K N 4.309 124.626 120.400 -0.138 0.000 2.350 198 K HA 0.028 4.397 4.320 -0.211 -0.176 0.279 198 K C -0.311 176.177 176.600 -0.187 0.000 1.027 198 K CA -0.196 55.943 56.287 -0.246 0.000 0.969 198 K CB -0.117 32.070 32.500 -0.522 0.000 0.954 198 K HN 0.298 8.476 8.250 -0.120 0.000 0.474 199 K N 3.324 123.646 120.400 -0.130 0.000 2.463 199 K HA 0.676 5.330 4.320 0.246 -0.187 0.255 199 K C -1.337 175.328 176.600 0.108 0.000 0.942 199 K CA -0.977 55.370 56.287 0.099 0.000 0.814 199 K CB 2.591 35.124 32.500 0.055 0.000 1.122 199 K HN 0.170 8.628 8.250 -0.176 -0.314 0.425 200 I N 3.562 124.286 120.570 0.257 0.000 2.362 200 I HA 0.375 4.884 4.170 0.252 -0.188 0.289 200 I C -1.708 174.675 176.117 0.443 0.000 0.994 200 I CA -1.057 60.422 61.300 0.298 0.000 1.158 200 I CB 2.426 40.598 38.000 0.287 0.000 1.315 200 I HN 0.591 8.996 8.210 0.324 0.000 0.451 201 Y N 8.837 129.297 120.300 0.266 0.000 2.342 201 Y HA 0.222 4.981 4.550 0.349 0.000 0.338 201 Y C -2.306 173.802 175.900 0.347 0.000 0.965 201 Y CA -1.552 56.707 58.100 0.264 0.000 1.159 201 Y CB 2.446 40.942 38.460 0.060 0.000 1.157 201 Y HN 0.617 9.151 8.280 0.423 0.000 0.486 202 V N 8.251 128.244 119.914 0.130 0.000 2.459 202 V HA 0.884 5.474 4.120 0.387 -0.237 0.295 202 V C -1.369 174.819 176.094 0.155 0.000 1.029 202 V CA -1.949 60.478 62.300 0.212 0.000 0.874 202 V CB 2.356 34.235 31.823 0.093 0.000 0.985 202 V HN 0.646 8.805 8.190 -0.052 0.000 0.438 203 W N 3.663 124.950 121.300 -0.021 0.000 3.066 203 W HA 0.797 5.562 4.660 -0.126 -0.180 0.330 203 W C -2.971 173.553 176.519 0.008 0.000 1.253 203 W CA -1.715 55.618 57.345 -0.020 0.000 1.187 203 W CB 2.899 32.459 29.460 0.166 0.000 1.434 203 W HN 0.582 8.952 8.180 0.316 0.000 0.572 204 T N 0.802 115.280 114.554 -0.125 0.000 2.863 204 T HA 0.499 4.589 4.350 -0.620 -0.112 0.285 204 T C 0.230 174.760 174.700 -0.283 0.000 1.009 204 T CA -2.399 59.481 62.100 -0.366 0.000 0.989 204 T CB 2.643 71.394 68.868 -0.196 0.000 1.004 204 T HN -0.142 8.387 8.240 0.095 -0.232 0.455 205 D N 7.089 127.170 120.400 -0.531 0.000 2.363 205 D HA -0.085 4.625 4.640 0.117 0.000 0.226 205 D C 0.338 176.639 176.300 0.001 0.000 1.020 205 D CA 0.591 54.493 54.000 -0.164 0.000 0.892 205 D CB -1.200 39.473 40.800 -0.211 0.000 0.900 205 D HN 0.663 8.633 8.370 -0.666 0.000 0.531 206 Q N -2.803 116.976 119.800 -0.035 0.000 2.280 206 Q HA 0.094 4.446 4.340 0.021 0.000 0.201 206 Q C -0.037 175.985 176.000 0.036 0.000 0.890 206 Q CA -1.062 54.743 55.803 0.003 0.000 0.947 206 Q CB -0.080 28.640 28.738 -0.029 0.000 1.081 206 Q HN -0.561 7.579 8.270 -0.094 0.073 0.502 207 D N 1.996 122.448 120.400 0.087 0.000 2.401 207 D HA -0.129 4.557 4.640 0.077 0.000 0.254 207 D C 0.059 176.404 176.300 0.074 0.000 1.192 207 D CA 0.804 54.870 54.000 0.110 0.000 0.885 207 D CB 0.937 41.877 40.800 0.232 0.000 1.147 207 D HN -0.863 7.506 8.370 0.109 0.067 0.478 208 E N 5.156 125.354 120.200 -0.004 0.000 2.465 208 E HA 0.052 4.417 4.350 0.026 0.000 0.191 208 E C -0.201 176.289 176.600 -0.184 0.000 1.053 208 E CA 0.875 57.258 56.400 -0.029 0.000 0.869 208 E CB -0.214 29.482 29.700 -0.006 0.000 0.977 208 E HN 0.415 8.766 8.360 -0.014 0.000 0.483 209 I N -2.250 118.099 120.570 -0.368 0.000 3.739 209 I HA 0.020 3.393 4.170 -1.329 0.000 0.272 209 I C -0.786 175.095 176.117 -0.394 0.000 1.167 209 I CA 1.167 61.950 61.300 -0.862 0.000 1.386 209 I CB 2.580 39.905 38.000 -1.126 0.000 1.490 209 I HN -0.193 8.102 8.210 -0.266 -0.245 0.452 210 F N 1.385 121.120 119.950 -0.359 0.000 2.567 210 F HA 0.012 4.525 4.527 -0.023 0.000 0.352 210 F C -0.766 175.147 175.800 0.189 0.000 1.229 210 F CA -1.126 56.893 58.000 0.031 0.000 1.228 210 F CB -2.101 37.061 39.000 0.270 0.000 1.568 210 F HN -0.588 7.968 8.300 0.012 -0.249 0.634 211 L N 1.246 122.629 121.223 0.266 0.000 2.476 211 L HA 0.129 4.775 4.340 0.234 -0.166 0.264 211 L C -0.162 176.903 176.870 0.325 0.000 1.224 211 L CA -1.506 53.487 54.840 0.255 0.000 0.821 211 L CB -0.641 41.535 42.059 0.195 0.000 1.101 211 L HN -0.761 7.551 8.230 0.169 0.019 0.488 212 P HA -0.290 4.431 4.420 0.501 0.000 0.216 212 P C 1.501 178.922 177.300 0.201 0.000 1.153 212 P CA 3.086 66.402 63.100 0.361 0.000 0.858 212 P CB 0.060 31.977 31.700 0.361 0.000 0.789 213 E N -2.850 117.457 120.200 0.177 0.000 2.085 213 E HA -0.290 4.128 4.350 0.114 0.000 0.194 213 E C 2.119 178.810 176.600 0.151 0.000 0.994 213 E CA 3.222 59.703 56.400 0.134 0.000 0.801 213 E CB -0.526 29.237 29.700 0.104 0.000 0.743 213 E HN 0.442 8.912 8.360 0.183 0.000 0.453 214 F N 0.722 120.687 119.950 0.026 0.000 2.113 214 F HA -0.356 4.144 4.527 -0.045 0.000 0.297 214 F C 1.560 177.419 175.800 0.099 0.000 1.103 214 F CA 3.123 61.126 58.000 0.006 0.000 1.248 214 F CB 0.084 39.033 39.000 -0.085 0.000 0.999 214 F HN -0.688 7.784 8.300 0.301 0.008 0.475 215 Q N -0.779 118.972 119.800 -0.082 0.000 2.079 215 Q HA -0.345 3.792 4.340 -0.338 0.000 0.200 215 Q C 2.740 178.402 176.000 -0.562 0.000 0.974 215 Q CA 3.224 58.848 55.803 -0.297 0.000 0.840 215 Q CB 0.176 28.849 28.738 -0.109 0.000 0.898 215 Q HN -0.320 8.038 8.270 0.147 0.000 0.430 216 L N -1.862 119.097 121.223 -0.440 0.000 2.141 216 L HA -0.278 3.730 4.340 -0.554 0.000 0.209 216 L C 2.001 178.728 176.870 -0.238 0.000 1.094 216 L CA 2.765 57.376 54.840 -0.383 0.000 0.763 216 L CB -0.419 41.537 42.059 -0.171 0.000 0.908 216 L HN -0.033 8.020 8.230 -0.295 0.000 0.437 217 W N -0.090 121.018 121.300 -0.321 0.000 2.358 217 W HA -0.493 4.047 4.660 -0.200 0.000 0.303 217 W C 1.445 177.756 176.519 -0.346 0.000 1.208 217 W CA 4.258 61.441 57.345 -0.270 0.000 1.274 217 W CB -0.008 29.328 29.460 -0.207 0.000 1.138 217 W HN -0.521 7.686 8.180 0.045 0.000 0.515 218 Q N -2.331 117.250 119.800 -0.364 0.000 2.084 218 Q HA -0.446 3.475 4.340 -0.698 0.000 0.202 218 Q C 2.697 178.328 176.000 -0.616 0.000 0.978 218 Q CA 3.523 58.987 55.803 -0.566 0.000 0.844 218 Q CB 0.054 28.496 28.738 -0.493 0.000 0.898 218 Q HN -0.368 7.649 8.270 -0.288 0.080 0.426 219 I N -0.396 119.756 120.570 -0.698 0.000 2.226 219 I HA -0.458 3.287 4.170 -0.708 0.000 0.245 219 I C 1.892 177.746 176.117 -0.438 0.000 1.100 219 I CA 4.188 65.094 61.300 -0.655 0.000 1.374 219 I CB 0.003 37.585 38.000 -0.697 0.000 1.057 219 I HN -0.352 7.430 8.210 -0.712 0.000 0.413 220 E N -0.801 119.155 120.200 -0.406 0.000 2.051 220 E HA -0.371 3.826 4.350 -0.255 0.000 0.192 220 E C 1.740 178.137 176.600 -0.338 0.000 0.991 220 E CA 2.911 59.118 56.400 -0.321 0.000 0.799 220 E CB -0.143 29.392 29.700 -0.275 0.000 0.748 220 E HN -0.495 7.609 8.360 -0.427 0.000 0.449 221 N N -2.633 115.763 118.700 -0.506 0.000 2.166 221 N HA -0.209 4.305 4.740 -0.377 0.000 0.186 221 N C 0.037 175.461 175.510 -0.142 0.000 1.019 221 N CA 2.114 54.897 53.050 -0.445 0.000 0.856 221 N CB 0.969 38.944 38.487 -0.853 0.000 0.993 221 N HN -0.512 7.401 8.380 -0.630 0.089 0.426 222 Y N -1.759 118.345 120.300 -0.327 0.000 2.422 222 Y HA 0.048 4.488 4.550 -0.183 0.000 0.344 222 Y C -2.077 173.672 175.900 -0.252 0.000 1.097 222 Y CA -1.776 56.185 58.100 -0.231 0.000 1.307 222 Y CB 1.387 39.737 38.460 -0.184 0.000 1.102 222 Y HN -0.623 7.495 8.280 -0.223 0.027 0.520 223 K N 8.335 128.541 120.400 -0.323 0.000 2.436 223 K HA 0.121 4.420 4.320 -0.296 -0.157 0.282 223 K C -1.612 174.749 176.600 -0.397 0.000 1.044 223 K CA -1.442 54.653 56.287 -0.320 0.000 1.028 223 K CB 0.179 32.541 32.500 -0.229 0.000 0.919 223 K HN 0.018 8.120 8.250 -0.247 0.000 0.474 224 P HA 0.030 4.268 4.420 -0.304 0.000 0.272 224 P C -0.924 176.279 177.300 -0.162 0.000 1.230 224 P CA -0.727 62.229 63.100 -0.241 0.000 0.788 224 P CB 0.785 32.416 31.700 -0.115 0.000 0.949 225 D N 0.209 120.539 120.400 -0.117 0.000 2.178 225 D HA -0.220 4.383 4.640 -0.061 0.000 0.202 225 D C 0.098 176.409 176.300 0.018 0.000 0.974 225 D CA 2.485 56.458 54.000 -0.046 0.000 0.841 225 D CB 0.648 41.424 40.800 -0.041 0.000 0.953 225 D HN 0.154 8.446 8.370 -0.130 0.000 0.478 226 K N -2.908 117.515 120.400 0.039 0.000 2.542 226 K HA 0.209 4.518 4.320 -0.019 0.000 0.259 226 K C -2.720 173.918 176.600 0.063 0.000 0.932 226 K CA -1.157 55.149 56.287 0.032 0.000 0.820 226 K CB 2.826 35.388 32.500 0.104 0.000 1.345 226 K HN -0.739 7.509 8.250 0.040 0.026 0.432 227 V N 4.133 124.042 119.914 -0.009 0.000 2.540 227 V HA 0.659 5.149 4.120 0.289 -0.197 0.302 227 V C -0.664 175.450 176.094 0.032 0.000 1.035 227 V CA -1.305 61.078 62.300 0.139 0.000 0.873 227 V CB 1.763 33.676 31.823 0.150 0.000 0.992 227 V HN 0.176 8.313 8.190 -0.088 0.000 0.428 228 Y N 6.578 127.038 120.300 0.267 0.000 2.328 228 Y HA 0.169 4.806 4.550 0.146 0.000 0.336 228 Y C -1.706 174.304 175.900 0.184 0.000 0.960 228 Y CA -1.333 56.877 58.100 0.183 0.000 1.134 228 Y CB 2.894 41.426 38.460 0.121 0.000 1.166 228 Y HN 0.587 9.188 8.280 0.534 0.000 0.464 229 K N 4.744 125.254 120.400 0.184 0.000 2.240 229 K HA 0.537 4.842 4.320 -0.350 -0.194 0.271 229 K C -0.707 175.814 176.600 -0.132 0.000 1.018 229 K CA -1.289 54.898 56.287 -0.167 0.000 0.874 229 K CB 1.770 34.102 32.500 -0.280 0.000 1.098 229 K HN 0.238 8.593 8.250 0.174 0.000 0.458 230 V N 8.991 128.786 119.914 -0.199 0.000 2.432 230 V HA 0.023 4.090 4.120 -0.088 0.000 0.275 230 V C -0.952 175.029 176.094 -0.189 0.000 1.043 230 V CA -0.247 61.966 62.300 -0.144 0.000 0.925 230 V CB 1.252 32.996 31.823 -0.132 0.000 0.985 230 V HN 0.747 8.776 8.190 -0.270 0.000 0.466 231 E N 6.892 127.014 120.200 -0.129 0.000 2.338 231 E HA -0.037 4.220 4.350 -0.155 0.000 0.272 231 E C 0.578 177.118 176.600 -0.101 0.000 1.029 231 E CA -0.011 56.317 56.400 -0.121 0.000 0.872 231 E CB 0.467 30.120 29.700 -0.080 0.000 1.015 231 E HN 0.300 8.602 8.360 -0.096 0.000 0.417 232 G N 3.050 111.791 108.800 -0.098 0.000 2.562 232 G HA2 -0.323 3.599 3.960 -0.063 0.000 0.250 232 G HA3 -0.323 3.602 3.960 -0.060 0.000 0.250 232 G C -0.981 173.872 174.900 -0.078 0.000 1.269 232 G CA -0.323 44.734 45.100 -0.073 0.000 0.919 232 G HN 0.152 8.376 8.290 -0.109 0.000 0.574 233 G N 0.104 108.870 108.800 -0.058 0.000 2.601 233 G HA2 -0.356 3.576 3.960 -0.047 0.000 0.252 233 G HA3 -0.356 3.559 3.960 -0.075 0.000 0.252 233 G C -1.457 173.412 174.900 -0.052 0.000 1.294 233 G CA 0.317 45.382 45.100 -0.059 0.000 0.912 233 G HN -0.146 8.115 8.290 -0.048 0.000 0.574 234 D N -2.017 118.347 120.400 -0.061 0.000 2.867 234 D HA 0.255 4.881 4.640 -0.023 0.000 0.308 234 D C -0.949 175.318 176.300 -0.056 0.000 1.202 234 D CA -1.940 52.036 54.000 -0.040 0.000 1.035 234 D CB 1.705 42.490 40.800 -0.026 0.000 1.427 234 D HN -0.589 7.735 8.370 -0.077 0.000 0.570 235 H N -1.424 117.553 119.070 -0.155 0.000 2.387 235 H HA -0.284 4.296 4.556 -0.184 -0.135 0.299 235 H C 1.169 176.363 175.328 -0.223 0.000 1.099 235 H CA 3.185 59.108 56.048 -0.208 0.000 1.315 235 H CB 0.466 30.074 29.762 -0.256 0.000 1.380 235 H HN 0.261 8.571 8.280 0.049 0.000 0.513 236 K N 0.563 120.794 120.400 -0.281 0.000 2.518 236 K HA 0.134 4.355 4.320 -0.331 -0.100 0.244 236 K C -0.441 176.067 176.600 -0.153 0.000 1.232 236 K CA -1.994 54.106 56.287 -0.311 0.000 1.189 236 K CB -2.154 30.072 32.500 -0.456 0.000 1.737 236 K HN -0.559 7.694 8.250 -0.208 -0.128 0.333 237 L N 1.486 122.629 121.223 -0.134 0.000 2.191 237 L HA -0.268 4.004 4.340 -0.113 0.000 0.212 237 L C 1.911 178.807 176.870 0.044 0.000 1.103 237 L CA 2.784 57.559 54.840 -0.107 0.000 0.769 237 L CB -0.175 41.703 42.059 -0.302 0.000 0.908 237 L HN -0.410 7.630 8.230 -0.227 0.054 0.438 238 Q N -2.600 117.313 119.800 0.188 0.000 2.436 238 Q HA -0.223 4.179 4.340 0.103 0.000 0.209 238 Q C -0.132 175.843 176.000 -0.041 0.000 0.965 238 Q CA 2.275 58.114 55.803 0.060 0.000 0.910 238 Q CB -0.911 27.801 28.738 -0.043 0.000 0.980 238 Q HN -0.483 7.954 8.270 0.332 0.032 0.491 239 L N -4.706 116.480 121.223 -0.061 0.000 2.362 239 L HA 0.343 4.650 4.340 -0.054 0.000 0.204 239 L C 2.194 179.053 176.870 -0.020 0.000 1.060 239 L CA 1.151 55.968 54.840 -0.038 0.000 0.827 239 L CB 1.508 43.574 42.059 0.013 0.000 1.027 239 L HN -0.220 7.801 8.230 -0.070 0.166 0.474 240 T N -4.519 110.018 114.554 -0.028 0.000 3.051 240 T HA -0.014 4.331 4.350 -0.009 0.000 0.255 240 T C 0.762 175.444 174.700 -0.031 0.000 1.085 240 T CA 1.902 63.989 62.100 -0.023 0.000 1.109 240 T CB 0.506 69.357 68.868 -0.030 0.000 0.921 240 T HN -0.181 8.033 8.240 -0.044 0.000 0.488 241 K N 1.600 121.977 120.400 -0.039 0.000 3.278 241 K HA 0.496 4.874 4.320 -0.037 -0.081 0.200 241 K C -0.612 175.968 176.600 -0.033 0.000 1.107 241 K CA -1.411 54.851 56.287 -0.042 0.000 0.923 241 K CB 0.180 32.642 32.500 -0.063 0.000 0.787 241 K HN -0.315 7.811 8.250 -0.038 0.101 0.481 242 T N 3.614 118.153 114.554 -0.026 0.000 2.684 242 T HA -0.360 3.986 4.350 -0.006 0.000 0.267 242 T C 1.608 176.291 174.700 -0.028 0.000 1.036 242 T CA 4.882 66.970 62.100 -0.020 0.000 1.148 242 T CB -0.107 68.743 68.868 -0.029 0.000 0.863 242 T HN 0.376 8.601 8.240 -0.026 0.000 0.436 243 K N -0.013 120.371 120.400 -0.028 0.000 2.057 243 K HA -0.268 4.036 4.320 -0.027 0.000 0.207 243 K C 2.294 178.871 176.600 -0.037 0.000 1.049 243 K CA 3.839 60.109 56.287 -0.027 0.000 0.931 243 K CB -0.426 32.063 32.500 -0.019 0.000 0.714 243 K HN 0.061 8.296 8.250 -0.026 0.000 0.440 244 E N -0.424 119.751 120.200 -0.041 0.000 2.077 244 E HA -0.283 4.038 4.350 -0.047 0.000 0.193 244 E C 2.643 179.194 176.600 -0.080 0.000 0.989 244 E CA 3.472 59.840 56.400 -0.054 0.000 0.800 244 E CB -0.693 28.975 29.700 -0.052 0.000 0.746 244 E HN -0.592 7.745 8.360 -0.038 0.000 0.452 245 I N -0.864 119.663 120.570 -0.072 0.000 2.226 245 I HA -0.416 3.690 4.170 -0.108 0.000 0.245 245 I C 1.982 178.021 176.117 -0.129 0.000 1.100 245 I CA 2.430 63.679 61.300 -0.084 0.000 1.374 245 I CB -1.329 36.668 38.000 -0.006 0.000 1.057 245 I HN -0.180 7.997 8.210 -0.055 0.000 0.413 246 A N -0.910 121.846 122.820 -0.108 0.000 1.933 246 A HA -0.364 3.836 4.320 -0.201 0.000 0.218 246 A C 1.923 179.447 177.584 -0.100 0.000 1.175 246 A CA 3.490 55.450 52.037 -0.127 0.000 0.628 246 A CB -1.021 17.937 19.000 -0.070 0.000 0.814 246 A HN -0.092 8.012 8.150 -0.078 0.000 0.444 247 E N -0.822 119.334 120.200 -0.073 0.000 2.106 247 E HA -0.287 4.056 4.350 -0.013 0.000 0.192 247 E C 2.328 178.869 176.600 -0.099 0.000 0.984 247 E CA 2.767 59.138 56.400 -0.049 0.000 0.806 247 E CB 0.006 29.688 29.700 -0.032 0.000 0.750 247 E HN -0.462 7.856 8.360 -0.071 0.000 0.458 248 I N 0.064 120.513 120.570 -0.201 0.000 2.179 248 I HA -0.506 3.384 4.170 -0.466 0.000 0.242 248 I C 1.844 177.804 176.117 -0.262 0.000 1.088 248 I CA 4.448 65.509 61.300 -0.399 0.000 1.357 248 I CB 0.063 37.711 38.000 -0.586 0.000 1.051 248 I HN -0.411 7.688 8.210 -0.185 0.000 0.409 249 L N -1.855 119.240 121.223 -0.213 0.000 2.083 249 L HA -0.477 3.814 4.340 -0.081 0.000 0.209 249 L C 2.182 179.061 176.870 0.015 0.000 1.083 249 L CA 3.042 57.775 54.840 -0.179 0.000 0.752 249 L CB -0.725 40.979 42.059 -0.591 0.000 0.899 249 L HN -0.218 7.872 8.230 -0.232 0.000 0.433 250 Q N -0.333 119.480 119.800 0.021 0.000 2.096 250 Q HA -0.438 4.064 4.340 0.269 0.000 0.204 250 Q C 1.906 177.993 176.000 0.145 0.000 0.982 250 Q CA 3.069 58.975 55.803 0.171 0.000 0.850 250 Q CB -0.615 28.233 28.738 0.184 0.000 0.901 250 Q HN -0.014 8.233 8.270 -0.039 0.000 0.422 251 E N -0.388 119.862 120.200 0.083 0.000 2.110 251 E HA -0.321 4.088 4.350 0.098 0.000 0.193 251 E C 2.364 179.051 176.600 0.144 0.000 0.988 251 E CA 2.910 59.373 56.400 0.104 0.000 0.804 251 E CB -0.079 29.692 29.700 0.118 0.000 0.745 251 E HN -0.694 7.687 8.360 0.035 0.000 0.458 252 V N -0.031 119.990 119.914 0.178 0.000 2.343 252 V HA -0.489 3.850 4.120 0.365 0.000 0.247 252 V C 1.915 178.154 176.094 0.242 0.000 1.051 252 V CA 4.041 66.514 62.300 0.289 0.000 1.036 252 V CB -0.838 31.162 31.823 0.296 0.000 0.654 252 V HN -0.182 8.081 8.190 0.121 0.000 0.451 253 A N -1.462 121.483 122.820 0.208 0.000 1.978 253 A HA -0.238 4.121 4.320 0.066 0.000 0.220 253 A C 0.939 178.579 177.584 0.094 0.000 1.170 253 A CA 2.535 54.648 52.037 0.128 0.000 0.636 253 A CB -0.290 18.812 19.000 0.170 0.000 0.810 253 A HN -0.233 8.064 8.150 0.245 0.000 0.448 254 D N -3.921 116.530 120.400 0.086 0.000 2.347 254 D HA -0.007 4.643 4.640 0.017 0.000 0.215 254 D C 0.954 177.230 176.300 -0.039 0.000 0.976 254 D CA 1.867 55.883 54.000 0.026 0.000 0.884 254 D CB 0.173 40.993 40.800 0.034 0.000 0.915 254 D HN -0.428 7.897 8.370 0.113 0.113 0.526 255 T N -0.141 114.363 114.554 -0.083 0.000 3.042 255 T HA 0.016 4.202 4.350 -0.273 0.000 0.245 255 T C -0.162 174.258 174.700 -0.466 0.000 1.029 255 T CA 1.778 63.680 62.100 -0.330 0.000 1.120 255 T CB 2.204 70.764 68.868 -0.513 0.000 0.917 255 T HN -0.568 7.484 8.240 -0.012 0.182 0.467 256 Y N 0.295 120.615 120.300 0.034 0.000 2.361 256 Y HA 0.061 4.621 4.550 0.017 0.000 0.337 256 Y C -2.130 173.770 175.900 -0.001 0.000 0.965 256 Y CA -0.663 57.449 58.100 0.020 0.000 1.091 256 Y CB 1.468 39.946 38.460 0.029 0.000 1.182 256 Y HN -0.367 7.940 8.280 0.046 0.000 0.450 257 N N 0.000 118.776 118.700 0.127 0.000 1.763 257 N HA 0.000 4.773 4.740 0.054 0.000 0.220 257 N CA 0.000 53.088 53.050 0.063 0.000 0.885 257 N CB 0.000 38.504 38.487 0.029 0.000 1.341 257 N HN 0.000 8.457 8.380 0.128 0.000 0.667