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 3c6x_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 4.080 4.320 -0.400 0.000 0.244 2 A C 0.000 177.556 177.584 -0.046 0.000 1.274 2 A CA 0.000 51.911 52.037 -0.209 0.000 0.836 2 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 3 F N -1.563 118.445 119.950 0.097 0.000 2.458 3 F HA 0.130 4.819 4.527 0.271 0.000 0.330 3 F C -0.567 175.337 175.800 0.174 0.000 1.082 3 F CA -2.125 55.975 58.000 0.167 0.000 0.995 3 F CB 1.865 40.882 39.000 0.028 0.000 1.170 3 F HN -0.085 8.101 8.300 -0.191 0.000 0.478 4 A N 0.728 123.801 122.820 0.422 0.000 2.485 4 A HA 0.354 4.676 4.320 0.003 0.000 0.292 4 A C -3.055 174.499 177.584 -0.051 0.000 1.147 4 A CA -1.771 50.240 52.037 -0.044 0.000 0.750 4 A CB 3.329 21.991 19.000 -0.564 0.000 1.331 4 A HN 0.213 8.886 8.150 0.872 0.000 0.419 5 H N 0.996 119.909 119.070 -0.262 0.000 2.623 5 H HA 0.747 5.695 4.556 -0.065 -0.431 0.299 5 H C -1.163 173.975 175.328 -0.316 0.000 1.052 5 H CA -3.127 52.822 56.048 -0.165 0.000 1.231 5 H CB 1.100 30.834 29.762 -0.045 0.000 1.389 5 H HN 0.458 8.685 8.280 -0.088 0.000 0.469 6 F N 7.061 127.099 119.950 0.148 0.000 2.394 6 F HA 0.440 5.088 4.527 -0.118 -0.192 0.340 6 F C -1.028 174.702 175.800 -0.116 0.000 1.105 6 F CA -0.899 57.058 58.000 -0.071 0.000 1.124 6 F CB 1.665 40.562 39.000 -0.172 0.000 1.145 6 F HN 0.648 9.110 8.300 0.269 0.000 0.505 7 V N 2.889 122.752 119.914 -0.084 0.000 2.350 7 V HA 0.521 4.684 4.120 -0.260 -0.199 0.285 7 V C -1.250 174.636 176.094 -0.345 0.000 1.014 7 V CA -1.260 60.892 62.300 -0.247 0.000 0.831 7 V CB 0.593 32.252 31.823 -0.273 0.000 1.000 7 V HN 0.553 8.700 8.190 -0.073 0.000 0.433 8 L N 7.624 128.533 121.223 -0.523 0.000 2.276 8 L HA 0.462 4.367 4.340 -0.973 -0.149 0.286 8 L C -1.074 175.457 176.870 -0.566 0.000 1.061 8 L CA -0.623 53.635 54.840 -0.971 0.000 0.807 8 L CB 0.954 41.950 42.059 -1.772 0.000 1.177 8 L HN 0.603 8.552 8.230 -0.469 0.000 0.429 9 I N 1.011 121.425 120.570 -0.260 0.000 2.448 9 I HA 0.369 4.491 4.170 -0.080 0.000 0.281 9 I C -1.458 174.811 176.117 0.253 0.000 1.027 9 I CA -1.689 59.593 61.300 -0.029 0.000 1.111 9 I CB 1.775 39.699 38.000 -0.126 0.000 1.236 9 I HN 0.412 8.422 8.210 -0.333 0.000 0.452 10 H N 5.545 124.833 119.070 0.363 0.000 2.730 10 H HA 0.032 4.688 4.556 -0.010 -0.106 0.376 10 H C -0.715 174.672 175.328 0.098 0.000 1.299 10 H CA -1.111 55.004 56.048 0.111 0.000 1.447 10 H CB 0.624 30.358 29.762 -0.047 0.000 1.493 10 H HN 0.262 8.652 8.280 0.183 0.000 0.619 11 T N -1.477 113.180 114.554 0.173 0.000 2.824 11 T HA 0.135 4.655 4.350 0.282 0.000 0.277 11 T C -0.039 174.969 174.700 0.514 0.000 0.975 11 T CA -1.501 60.750 62.100 0.252 0.000 0.966 11 T CB 1.520 70.410 68.868 0.037 0.000 1.054 11 T HN -0.091 8.468 8.240 0.019 -0.307 0.533 12 I N -4.003 116.851 120.570 0.474 0.000 2.872 12 I HA -0.194 4.248 4.170 0.453 0.000 0.291 12 I C 0.709 177.108 176.117 0.470 0.000 1.216 12 I CA 1.511 63.058 61.300 0.411 0.000 1.424 12 I CB 0.202 38.340 38.000 0.230 0.000 1.351 12 I HN 0.214 8.689 8.210 0.442 0.000 0.592 13 C N -2.486 117.030 119.300 0.359 0.000 4.784 13 C HA -0.372 4.325 4.460 0.214 -0.108 0.261 13 C C -0.164 174.958 174.990 0.221 0.000 1.492 13 C CA 1.580 60.769 59.018 0.285 0.000 1.622 13 C CB -2.845 25.061 27.740 0.277 0.000 1.855 13 C HN 1.052 9.463 8.230 0.302 0.000 0.662 14 H N -0.531 118.639 119.070 0.166 0.000 2.915 14 H HA 0.217 4.899 4.556 0.210 0.000 0.298 14 H C -0.873 174.141 175.328 -0.524 0.000 1.516 14 H CA 0.028 56.036 56.048 -0.066 0.000 1.480 14 H CB 2.927 32.535 29.762 -0.257 0.000 1.847 14 H HN -0.649 7.827 8.280 0.480 0.092 0.806 15 G N -4.247 103.999 108.800 -0.923 0.000 2.663 15 G HA2 0.128 3.141 3.960 -1.578 0.000 0.299 15 G HA3 0.128 3.858 3.960 -0.382 0.000 0.299 15 G C -1.277 173.191 174.900 -0.720 0.000 1.372 15 G CA -0.394 44.124 45.100 -0.970 0.000 0.781 15 G HN -0.123 7.431 8.290 -1.227 0.000 0.491 16 A N 1.295 124.040 122.820 -0.125 0.000 1.986 16 A HA -0.154 4.384 4.320 0.363 0.000 0.220 16 A C 1.652 179.295 177.584 0.098 0.000 1.171 16 A CA 2.987 55.118 52.037 0.156 0.000 0.640 16 A CB -0.058 19.061 19.000 0.197 0.000 0.811 16 A HN 0.457 8.934 8.150 -0.040 -0.352 0.451 17 W N -5.261 116.096 121.300 0.095 0.000 2.341 17 W HA -0.326 4.396 4.660 0.104 0.000 0.283 17 W C 1.019 177.616 176.519 0.129 0.000 1.215 17 W CA 0.494 57.885 57.345 0.077 0.000 1.211 17 W CB -1.304 28.141 29.460 -0.025 0.000 1.131 17 W HN -0.204 8.002 8.180 0.106 0.037 0.552 18 I N 1.459 121.695 120.570 -0.556 0.000 2.567 18 I HA -0.239 3.846 4.170 -0.141 0.000 0.257 18 I C 0.570 176.488 176.117 -0.333 0.000 1.184 18 I CA 1.732 62.712 61.300 -0.532 0.000 1.451 18 I CB -0.099 37.285 38.000 -1.027 0.000 1.089 18 I HN -0.628 6.913 8.210 -1.053 0.037 0.441 19 W N -3.212 118.068 121.300 -0.033 0.000 3.405 19 W HA 0.010 4.602 4.660 -0.113 0.000 0.300 19 W C 0.456 176.979 176.519 0.007 0.000 1.286 19 W CA -0.568 56.743 57.345 -0.058 0.000 1.762 19 W CB -1.168 28.238 29.460 -0.091 0.000 1.087 19 W HN -0.463 7.644 8.180 -0.043 0.048 0.703 20 H N -2.176 117.006 119.070 0.186 0.000 2.489 20 H HA -0.216 4.435 4.556 0.157 0.000 0.293 20 H C 0.840 176.238 175.328 0.116 0.000 1.066 20 H CA 3.009 59.150 56.048 0.156 0.000 1.305 20 H CB -0.495 29.362 29.762 0.160 0.000 1.386 20 H HN -0.351 8.098 8.280 0.421 0.084 0.551 21 K N -1.598 118.569 120.400 -0.388 0.000 2.128 21 K HA -0.174 4.029 4.320 -0.196 0.000 0.202 21 K C 1.446 178.007 176.600 -0.065 0.000 1.050 21 K CA 2.026 58.167 56.287 -0.243 0.000 0.966 21 K CB -0.055 32.270 32.500 -0.291 0.000 0.759 21 K HN -0.132 7.808 8.250 -0.473 0.026 0.454 22 L N 0.143 121.367 121.223 0.002 0.000 2.072 22 L HA -0.242 4.094 4.340 -0.006 0.000 0.205 22 L C 1.081 177.950 176.870 -0.002 0.000 1.079 22 L CA 2.656 57.511 54.840 0.024 0.000 0.752 22 L CB -0.443 41.683 42.059 0.112 0.000 0.906 22 L HN -0.520 7.723 8.230 0.021 0.000 0.436 23 K N -0.626 119.795 120.400 0.033 0.000 2.009 23 K HA -0.247 4.052 4.320 -0.035 0.000 0.210 23 K C -1.054 175.552 176.600 0.011 0.000 1.049 23 K CA 5.840 62.132 56.287 0.008 0.000 0.929 23 K CB -1.853 30.673 32.500 0.044 0.000 0.714 23 K HN -0.167 8.133 8.250 0.084 0.000 0.440 24 P HA -0.086 4.505 4.420 0.014 -0.163 0.218 24 P C 1.604 178.908 177.300 0.006 0.000 1.149 24 P CA 2.462 65.572 63.100 0.015 0.000 0.817 24 P CB -0.255 31.459 31.700 0.024 0.000 0.785 25 L N -2.671 118.552 121.223 -0.000 0.000 2.056 25 L HA -0.338 4.003 4.340 0.002 0.000 0.207 25 L C 2.370 179.249 176.870 0.015 0.000 1.078 25 L CA 2.938 57.778 54.840 -0.001 0.000 0.749 25 L CB -0.429 41.623 42.059 -0.012 0.000 0.901 25 L HN -0.926 7.285 8.230 -0.004 0.017 0.433 26 L N -2.207 119.022 121.223 0.010 0.000 2.083 26 L HA -0.424 4.002 4.340 0.143 0.000 0.209 26 L C 2.557 179.509 176.870 0.137 0.000 1.083 26 L CA 3.193 58.086 54.840 0.089 0.000 0.752 26 L CB -0.392 41.650 42.059 -0.028 0.000 0.899 26 L HN -0.155 8.065 8.230 -0.017 0.000 0.433 27 E N -0.807 119.423 120.200 0.050 0.000 2.153 27 E HA -0.265 4.263 4.350 -0.006 -0.182 0.194 27 E C 2.922 179.492 176.600 -0.050 0.000 0.988 27 E CA 2.665 59.062 56.400 -0.004 0.000 0.811 27 E CB -0.183 29.509 29.700 -0.014 0.000 0.746 27 E HN -0.302 8.078 8.360 0.033 0.000 0.466 28 A N -0.877 121.929 122.820 -0.023 0.000 2.168 28 A HA -0.109 4.185 4.320 -0.044 0.000 0.215 28 A C 0.625 178.188 177.584 -0.036 0.000 1.152 28 A CA 2.235 54.254 52.037 -0.031 0.000 0.716 28 A CB -0.522 18.473 19.000 -0.009 0.000 0.794 28 A HN -0.205 7.840 8.150 -0.004 0.103 0.465 29 L N -4.908 116.296 121.223 -0.033 0.000 2.558 29 L HA 0.033 4.368 4.340 -0.008 0.000 0.225 29 L C 0.464 177.189 176.870 -0.240 0.000 1.128 29 L CA -0.404 54.404 54.840 -0.055 0.000 0.868 29 L CB 0.332 42.432 42.059 0.068 0.000 1.006 29 L HN -0.751 7.319 8.230 -0.002 0.158 0.454 30 G N -4.006 104.567 108.800 -0.379 0.000 2.179 30 G HA2 -0.336 3.231 3.960 -0.656 0.000 0.220 30 G HA3 -0.336 2.934 3.960 -1.150 0.000 0.220 30 G C -0.161 174.222 174.900 -0.861 0.000 0.990 30 G CA -0.323 44.297 45.100 -0.800 0.000 0.646 30 G HN -0.460 7.493 8.290 -0.254 0.185 0.517 31 H N 0.122 119.106 119.070 -0.143 0.000 2.546 31 H HA 0.085 4.706 4.556 0.001 -0.064 0.365 31 H C -0.628 174.664 175.328 -0.058 0.000 1.220 31 H CA 0.259 56.312 56.048 0.007 0.000 1.386 31 H CB 1.143 31.081 29.762 0.295 0.000 1.510 31 H HN -0.623 7.457 8.280 -0.332 0.000 0.591 32 K N 2.005 122.456 120.400 0.084 0.000 2.201 32 K HA 0.204 4.472 4.320 -0.087 0.000 0.278 32 K C -2.111 174.513 176.600 0.040 0.000 1.027 32 K CA -1.155 55.087 56.287 -0.075 0.000 0.909 32 K CB 0.912 33.219 32.500 -0.321 0.000 1.062 32 K HN 0.004 8.332 8.250 0.129 0.000 0.465 33 V N 6.158 126.084 119.914 0.020 0.000 2.588 33 V HA 0.725 5.147 4.120 0.186 -0.190 0.304 33 V C -0.307 175.803 176.094 0.026 0.000 1.042 33 V CA -1.844 60.506 62.300 0.083 0.000 0.877 33 V CB 2.800 34.645 31.823 0.037 0.000 0.996 33 V HN 0.239 8.405 8.190 -0.041 0.000 0.425 34 T N 7.636 122.205 114.554 0.026 0.000 2.792 34 T HA 0.264 4.553 4.350 -0.103 0.000 0.280 34 T C -1.649 172.908 174.700 -0.238 0.000 0.990 34 T CA -1.052 60.966 62.100 -0.136 0.000 0.960 34 T CB 1.860 70.524 68.868 -0.340 0.000 0.939 34 T HN 0.649 8.936 8.240 0.078 0.000 0.439 35 A N 7.788 130.501 122.820 -0.179 0.000 2.323 35 A HA 0.584 4.915 4.320 -0.249 -0.161 0.305 35 A C -1.157 176.393 177.584 -0.056 0.000 1.275 35 A CA -1.396 50.557 52.037 -0.140 0.000 0.804 35 A CB 1.399 20.389 19.000 -0.017 0.000 1.152 35 A HN 0.322 8.396 8.150 -0.126 0.000 0.487 36 L N 3.022 124.199 121.223 -0.076 0.000 2.375 36 L HA 0.090 4.402 4.340 -0.047 0.000 0.271 36 L C -0.539 176.423 176.870 0.154 0.000 1.107 36 L CA -0.775 54.048 54.840 -0.027 0.000 0.806 36 L CB 0.970 42.957 42.059 -0.120 0.000 1.146 36 L HN -0.479 7.676 8.230 -0.125 0.000 0.447 37 D N 1.179 121.672 120.400 0.156 0.000 2.280 37 D HA 0.082 4.952 4.640 0.382 0.000 0.243 37 D C -0.383 176.058 176.300 0.235 0.000 1.129 37 D CA -0.264 53.889 54.000 0.254 0.000 0.848 37 D CB 0.517 41.414 40.800 0.162 0.000 1.107 37 D HN -0.056 8.376 8.370 0.104 0.000 0.471 38 L N 1.675 123.131 121.223 0.389 0.000 2.470 38 L HA -0.044 4.272 4.340 -0.039 0.000 0.243 38 L C -0.051 176.916 176.870 0.162 0.000 1.227 38 L CA -0.252 54.621 54.840 0.055 0.000 0.824 38 L CB 0.685 42.513 42.059 -0.384 0.000 1.175 38 L HN 0.063 8.875 8.230 0.971 0.000 0.503 39 A N -2.835 120.054 122.820 0.114 0.000 2.498 39 A HA -0.159 4.400 4.320 0.160 -0.143 0.239 39 A C 0.427 178.202 177.584 0.318 0.000 1.068 39 A CA 0.412 52.576 52.037 0.212 0.000 0.766 39 A CB 0.221 19.346 19.000 0.208 0.000 1.003 39 A HN -0.336 7.799 8.150 -0.025 0.000 0.497 40 A N 1.198 124.148 122.820 0.217 0.000 2.826 40 A HA -0.400 4.247 4.320 0.138 -0.245 0.274 40 A C -1.391 176.319 177.584 0.211 0.000 1.443 40 A CA 0.881 53.030 52.037 0.187 0.000 0.833 40 A CB -1.602 17.502 19.000 0.174 0.000 1.023 40 A HN 0.426 9.307 8.150 0.173 -0.628 0.600 41 S N -2.282 113.556 115.700 0.230 0.000 2.568 41 S HA 0.154 4.740 4.470 0.194 0.000 0.293 41 S C -0.035 174.644 174.600 0.132 0.000 1.089 41 S CA -1.113 57.211 58.200 0.206 0.000 0.945 41 S CB 2.419 65.815 63.200 0.327 0.000 1.077 41 S HN -0.896 7.514 8.310 0.221 0.033 0.485 42 G N 2.455 111.330 108.800 0.125 0.000 2.596 42 G HA2 -0.367 3.777 3.960 0.306 0.000 0.295 42 G HA3 -0.367 3.913 3.960 0.172 -0.217 0.295 42 G C 1.177 176.151 174.900 0.124 0.000 1.240 42 G CA 1.476 46.689 45.100 0.188 0.000 0.985 42 G HN 0.009 8.382 8.290 0.138 0.000 0.555 43 V N -0.976 119.004 119.914 0.109 0.000 3.331 43 V HA 0.262 4.383 4.120 0.001 0.000 0.332 43 V C 0.382 176.515 176.094 0.065 0.000 1.341 43 V CA -0.095 62.243 62.300 0.064 0.000 1.218 43 V CB -1.222 30.629 31.823 0.047 0.000 1.152 43 V HN 0.034 nan 8.190 nan 0.000 0.445 44 D N 2.092 122.542 120.400 0.084 0.000 2.362 44 D HA 0.173 4.814 4.640 0.001 0.000 0.238 44 D C -0.921 175.417 176.300 0.063 0.000 1.212 44 D CA -1.602 52.446 54.000 0.080 0.000 0.902 44 D CB 1.904 42.767 40.800 0.105 0.000 1.180 44 D HN 0.033 nan 8.370 nan 0.000 0.445 45 P HA 0.139 nan 4.420 nan 0.000 0.225 45 P C -0.735 176.588 177.300 0.039 0.000 1.142 45 P CA 0.319 63.443 63.100 0.040 0.000 0.894 45 P CB 1.347 33.072 31.700 0.041 0.000 0.895 46 R N -0.906 119.630 120.500 0.059 0.000 2.582 46 R HA -0.059 4.433 4.340 0.044 -0.126 0.271 46 R C -0.583 175.748 176.300 0.051 0.000 1.078 46 R CA 0.237 56.371 56.100 0.058 0.000 1.127 46 R CB 1.001 31.348 30.300 0.079 0.000 1.038 46 R HN 0.046 9.131 8.270 0.071 -0.772 0.500 47 Q N 0.271 120.085 119.800 0.024 0.000 2.226 47 Q HA 0.278 4.627 4.340 0.014 0.000 0.256 47 Q C 1.018 177.013 176.000 -0.008 0.000 0.962 47 Q CA -1.940 53.863 55.803 -0.001 0.000 0.887 47 Q CB 1.814 30.526 28.738 -0.043 0.000 1.282 47 Q HN -0.082 8.515 8.270 0.017 -0.317 0.449 48 I N 3.569 124.128 120.570 -0.018 0.000 2.335 48 I HA -0.435 3.784 4.170 0.082 0.000 0.251 48 I C 1.465 177.433 176.117 -0.248 0.000 1.129 48 I CA 2.587 63.877 61.300 -0.015 0.000 1.402 48 I CB 0.153 38.176 38.000 0.040 0.000 1.069 48 I HN 0.678 8.881 8.210 -0.011 0.000 0.424 49 E N -1.082 118.832 120.200 -0.477 0.000 2.401 49 E HA -0.261 2.855 4.350 -2.057 0.000 0.199 49 E C 0.815 177.271 176.600 -0.239 0.000 1.023 49 E CA 2.416 58.306 56.400 -0.851 0.000 0.859 49 E CB -0.879 28.515 29.700 -0.511 0.000 0.780 49 E HN 0.569 8.708 8.360 -0.325 0.026 0.523 50 E N -3.187 116.977 120.200 -0.061 0.000 2.435 50 E HA -0.087 4.300 4.350 0.061 0.000 0.195 50 E C -0.516 176.166 176.600 0.137 0.000 1.029 50 E CA 0.967 57.399 56.400 0.053 0.000 0.865 50 E CB 0.736 30.465 29.700 0.048 0.000 0.833 50 E HN -0.641 7.616 8.360 -0.077 0.056 0.510 51 I N -0.546 120.151 120.570 0.212 0.000 2.354 51 I HA 0.203 4.622 4.170 0.185 -0.138 0.292 51 I C -0.123 176.245 176.117 0.418 0.000 0.989 51 I CA -3.077 58.386 61.300 0.271 0.000 1.188 51 I CB -0.000 38.192 38.000 0.320 0.000 1.342 51 I HN -0.320 7.825 8.210 0.183 0.174 0.457 52 G N 6.388 115.316 108.800 0.214 0.000 3.159 52 G HA2 0.084 4.259 3.960 0.359 0.000 0.232 52 G HA3 0.084 4.140 3.960 0.160 0.000 0.232 52 G C -1.673 173.248 174.900 0.036 0.000 1.116 52 G CA -0.185 45.044 45.100 0.214 0.000 0.767 52 G HN 0.167 9.111 8.290 0.120 -0.581 0.547 53 S N -4.259 111.195 115.700 -0.410 0.000 2.611 53 S HA 0.075 4.264 4.470 -0.468 0.000 0.268 53 S C -0.565 173.412 174.600 -1.039 0.000 1.156 53 S CA -2.049 55.809 58.200 -0.571 0.000 0.817 53 S CB 1.650 64.768 63.200 -0.137 0.000 1.122 53 S HN -1.084 6.957 8.310 -0.448 0.000 0.466 54 F N 1.978 121.531 119.950 -0.662 0.000 2.216 54 F HA -0.300 4.104 4.527 -0.205 0.000 0.300 54 F C 1.105 176.896 175.800 -0.014 0.000 1.085 54 F CA 4.801 62.688 58.000 -0.189 0.000 1.326 54 F CB 0.216 39.300 39.000 0.141 0.000 1.027 54 F HN 0.788 8.997 8.300 -0.151 0.000 0.497 55 D N -2.483 118.003 120.400 0.143 0.000 2.117 55 D HA -0.319 4.429 4.640 0.179 0.000 0.198 55 D C 1.065 177.398 176.300 0.055 0.000 0.982 55 D CA 3.561 57.635 54.000 0.123 0.000 0.828 55 D CB -0.610 40.245 40.800 0.093 0.000 0.967 55 D HN -0.009 8.397 8.370 0.097 0.022 0.464 56 E N -1.937 118.258 120.200 -0.009 0.000 2.110 56 E HA -0.289 4.081 4.350 0.033 0.000 0.193 56 E C 2.529 179.154 176.600 0.041 0.000 0.988 56 E CA 2.424 58.829 56.400 0.009 0.000 0.804 56 E CB 0.241 29.939 29.700 -0.005 0.000 0.745 56 E HN -0.614 7.714 8.360 -0.054 0.000 0.458 57 Y N 1.287 121.484 120.300 -0.171 0.000 2.207 57 Y HA -0.362 4.163 4.550 -0.042 0.000 0.287 57 Y C 0.996 176.878 175.900 -0.031 0.000 1.156 57 Y CA 2.303 60.330 58.100 -0.121 0.000 1.182 57 Y CB -0.102 38.167 38.460 -0.319 0.000 0.979 57 Y HN -0.209 8.035 8.280 -0.060 0.000 0.521 58 S N -2.489 113.138 115.700 -0.120 0.000 2.607 58 S HA -0.220 4.075 4.470 -0.292 0.000 0.224 58 S C 1.126 175.698 174.600 -0.048 0.000 0.969 58 S CA 2.681 60.801 58.200 -0.132 0.000 0.927 58 S CB -0.849 62.372 63.200 0.034 0.000 0.772 58 S HN -0.442 7.740 8.310 0.003 0.130 0.533 59 E N 2.659 122.856 120.200 -0.006 0.000 2.070 59 E HA -0.278 4.105 4.350 0.056 0.000 0.197 59 E C -0.531 176.090 176.600 0.034 0.000 1.004 59 E CA 4.783 61.205 56.400 0.036 0.000 0.805 59 E CB -1.810 27.920 29.700 0.050 0.000 0.744 59 E HN -0.439 7.742 8.360 -0.004 0.176 0.451 60 P HA -0.189 4.267 4.420 0.060 0.000 0.218 60 P C 1.242 178.570 177.300 0.046 0.000 1.148 60 P CA 3.040 66.162 63.100 0.037 0.000 0.822 60 P CB -0.449 31.267 31.700 0.026 0.000 0.784 61 L N -1.758 119.465 121.223 0.001 0.000 2.056 61 L HA -0.225 4.128 4.340 0.022 0.000 0.207 61 L C 1.282 178.188 176.870 0.061 0.000 1.078 61 L CA 3.098 57.947 54.840 0.015 0.000 0.749 61 L CB -0.339 41.696 42.059 -0.041 0.000 0.901 61 L HN -0.694 7.497 8.230 -0.037 0.016 0.433 62 L N -3.194 118.075 121.223 0.078 0.000 2.046 62 L HA -0.385 4.051 4.340 0.161 0.000 0.208 62 L C 1.788 178.678 176.870 0.033 0.000 1.077 62 L CA 3.102 58.022 54.840 0.133 0.000 0.747 62 L CB -0.540 41.647 42.059 0.212 0.000 0.896 62 L HN -0.513 7.757 8.230 0.067 0.000 0.432 63 T N -1.668 112.918 114.554 0.052 0.000 2.746 63 T HA -0.275 4.083 4.350 0.013 0.000 0.267 63 T C 1.496 176.179 174.700 -0.029 0.000 1.039 63 T CA 3.633 65.747 62.100 0.023 0.000 1.142 63 T CB 0.324 69.226 68.868 0.057 0.000 0.866 63 T HN -0.261 8.021 8.240 0.071 0.000 0.444 64 F N 2.741 122.629 119.950 -0.104 0.000 2.102 64 F HA -0.350 4.125 4.527 -0.087 0.000 0.298 64 F C 1.182 176.855 175.800 -0.211 0.000 1.105 64 F CA 3.641 61.569 58.000 -0.120 0.000 1.239 64 F CB 0.104 39.045 39.000 -0.099 0.000 0.991 64 F HN -0.608 7.797 8.300 0.175 0.000 0.474 65 L N -2.039 119.013 121.223 -0.286 0.000 2.083 65 L HA -0.480 3.588 4.340 -0.452 0.000 0.209 65 L C 2.810 179.204 176.870 -0.793 0.000 1.083 65 L CA 2.219 56.721 54.840 -0.564 0.000 0.752 65 L CB -0.955 40.717 42.059 -0.646 0.000 0.899 65 L HN -0.392 7.759 8.230 -0.130 0.000 0.433 66 E N 1.002 120.743 120.200 -0.765 0.000 2.118 66 E HA -0.233 4.118 4.350 0.001 0.000 0.195 66 E C 1.655 178.094 176.600 -0.269 0.000 0.992 66 E CA 1.621 57.767 56.400 -0.424 0.000 0.804 66 E CB -0.436 29.197 29.700 -0.112 0.000 0.741 66 E HN 0.408 nan 8.360 nan 0.000 0.458 67 A N -1.785 120.842 122.820 -0.321 0.000 2.167 67 A HA -0.079 4.128 4.320 -0.188 0.000 0.214 67 A C 0.680 178.077 177.584 -0.312 0.000 1.151 67 A CA 0.168 52.035 52.037 -0.283 0.000 0.735 67 A CB 0.221 19.044 19.000 -0.295 0.000 0.802 67 A HN -0.661 7.129 8.150 -0.378 0.133 0.467 68 L N 1.037 122.037 121.223 -0.372 0.000 2.410 68 L HA 0.048 4.228 4.340 -0.267 0.000 0.273 68 L C -1.953 174.828 176.870 -0.149 0.000 1.144 68 L CA -1.556 53.122 54.840 -0.270 0.000 0.863 68 L CB -0.424 41.478 42.059 -0.263 0.000 1.140 68 L HN -0.881 6.882 8.230 -0.432 0.207 0.463 69 P HA 0.203 4.591 4.420 -0.053 0.000 0.270 69 P C -2.241 175.036 177.300 -0.037 0.000 1.223 69 P CA -1.293 61.774 63.100 -0.055 0.000 0.785 69 P CB -0.453 31.224 31.700 -0.038 0.000 0.923 70 P HA -0.127 4.292 4.420 -0.002 0.000 0.264 70 P C 0.462 177.760 177.300 -0.004 0.000 1.183 70 P CA 1.419 64.516 63.100 -0.006 0.000 0.763 70 P CB -0.109 31.592 31.700 0.001 0.000 0.807 71 G N 2.461 111.262 108.800 0.001 0.000 2.241 71 G HA2 -0.396 3.568 3.960 0.008 0.000 0.244 71 G HA3 -0.396 3.566 3.960 0.005 0.000 0.244 71 G C -0.629 174.273 174.900 0.003 0.000 0.998 71 G CA -0.085 45.018 45.100 0.004 0.000 0.621 71 G HN 0.242 8.534 8.290 0.004 0.000 0.519 72 E N 3.132 123.329 120.200 -0.004 0.000 2.152 72 E HA -0.018 4.340 4.350 0.012 0.000 0.285 72 E C -0.860 175.731 176.600 -0.015 0.000 1.043 72 E CA -0.133 56.267 56.400 -0.000 0.000 0.839 72 E CB 0.476 30.177 29.700 0.001 0.000 1.069 72 E HN -0.457 7.816 8.360 -0.011 0.080 0.399 73 K N 4.576 124.970 120.400 -0.010 0.000 2.208 73 K HA 0.578 5.052 4.320 -0.039 -0.177 0.247 73 K C -0.952 175.612 176.600 -0.061 0.000 0.953 73 K CA -1.322 54.947 56.287 -0.031 0.000 0.837 73 K CB 2.567 35.057 32.500 -0.015 0.000 1.131 73 K HN 0.218 8.469 8.250 0.001 0.000 0.431 74 V N -3.598 116.252 119.914 -0.106 0.000 3.046 74 V HA 0.745 4.867 4.120 -0.190 -0.116 0.316 74 V C -1.641 174.355 176.094 -0.163 0.000 1.104 74 V CA -3.591 58.600 62.300 -0.183 0.000 1.006 74 V CB 3.269 34.927 31.823 -0.275 0.000 1.058 74 V HN 0.392 8.530 8.190 -0.086 0.000 0.440 75 I N 1.268 121.700 120.570 -0.231 0.000 2.330 75 I HA 0.355 4.644 4.170 -0.114 -0.187 0.289 75 I C -0.495 175.566 176.117 -0.093 0.000 1.001 75 I CA -1.147 60.057 61.300 -0.159 0.000 1.193 75 I CB 0.708 38.574 38.000 -0.224 0.000 1.345 75 I HN 0.028 8.054 8.210 -0.307 0.000 0.461 76 L N 7.856 129.017 121.223 -0.103 0.000 2.349 76 L HA 0.312 4.709 4.340 -0.154 -0.149 0.275 76 L C -0.814 175.957 176.870 -0.166 0.000 1.115 76 L CA -0.298 54.456 54.840 -0.143 0.000 0.820 76 L CB 0.810 42.779 42.059 -0.150 0.000 1.135 76 L HN 0.073 8.243 8.230 -0.100 0.000 0.445 77 V N 2.092 121.872 119.914 -0.224 0.000 2.447 77 V HA 0.675 4.876 4.120 -0.213 -0.209 0.292 77 V C -1.192 174.757 176.094 -0.240 0.000 1.021 77 V CA -1.784 60.363 62.300 -0.255 0.000 0.850 77 V CB 1.721 33.335 31.823 -0.347 0.000 1.005 77 V HN 0.441 8.480 8.190 -0.252 0.000 0.426 78 G N 5.454 114.159 108.800 -0.158 0.000 2.470 78 G HA2 0.692 4.858 3.960 0.028 0.000 0.320 78 G HA3 0.692 4.606 3.960 -0.078 0.000 0.320 78 G C -2.784 172.172 174.900 0.093 0.000 1.245 78 G CA -1.504 43.580 45.100 -0.027 0.000 0.935 78 G HN 0.721 8.881 8.290 -0.216 0.000 0.476 79 E N 3.682 123.961 120.200 0.132 0.000 2.231 79 E HA 0.641 5.283 4.350 0.091 -0.238 0.277 79 E C 0.435 177.049 176.600 0.022 0.000 0.999 79 E CA -2.507 53.899 56.400 0.011 0.000 0.827 79 E CB 2.546 32.066 29.700 -0.299 0.000 1.101 79 E HN -0.281 8.195 8.360 0.193 0.000 0.393 80 S N 1.211 116.897 115.700 -0.024 0.000 4.150 80 S HA -0.620 3.911 4.470 -0.165 -0.160 0.541 80 S C 1.105 175.910 174.600 0.342 0.000 1.860 80 S CA 2.695 60.890 58.200 -0.008 0.000 4.226 80 S CB -0.721 62.396 63.200 -0.139 0.000 0.445 80 S HN -0.039 8.150 8.310 -0.056 0.087 0.470 81 C N 2.507 122.037 119.300 0.383 0.000 2.522 81 C HA 0.013 4.771 4.460 0.496 0.000 0.271 81 C C 2.408 177.660 174.990 0.437 0.000 1.425 81 C CA 0.764 60.072 59.018 0.484 0.000 1.751 81 C CB -0.821 27.278 27.740 0.597 0.000 1.775 81 C HN 0.022 8.443 8.230 0.318 0.000 0.557 82 G N 0.390 109.377 108.800 0.313 0.000 2.498 82 G HA2 -0.313 4.039 3.960 0.251 0.000 0.219 82 G HA3 -0.313 3.732 3.960 0.141 0.000 0.219 82 G C 0.535 175.535 174.900 0.168 0.000 1.119 82 G CA 2.163 47.393 45.100 0.217 0.000 0.766 82 G HN 0.436 8.726 8.290 0.265 0.159 0.552 83 G N 1.144 110.090 108.800 0.242 0.000 2.462 83 G HA2 -0.294 3.783 3.960 0.196 0.000 0.220 83 G HA3 -0.294 4.203 3.960 0.517 -0.227 0.220 83 G C 1.066 176.045 174.900 0.131 0.000 1.121 83 G CA 1.509 46.791 45.100 0.303 0.000 0.758 83 G HN -0.480 7.961 8.290 0.304 0.032 0.559 84 L N 0.588 121.840 121.223 0.048 0.000 2.093 84 L HA -0.422 3.756 4.340 -0.270 0.000 0.208 84 L C 1.692 178.517 176.870 -0.075 0.000 1.085 84 L CA 3.058 57.787 54.840 -0.185 0.000 0.755 84 L CB -0.235 41.450 42.059 -0.622 0.000 0.904 84 L HN -0.419 7.869 8.230 0.129 0.020 0.435 85 N N -0.348 118.451 118.700 0.164 0.000 2.149 85 N HA -0.315 4.552 4.740 0.211 0.000 0.188 85 N C 2.382 177.891 175.510 -0.001 0.000 1.019 85 N CA 3.611 56.746 53.050 0.141 0.000 0.857 85 N CB -0.201 38.345 38.487 0.098 0.000 0.997 85 N HN -0.692 7.847 8.380 0.265 0.000 0.426 86 I N -0.118 120.422 120.570 -0.050 0.000 2.163 86 I HA -0.547 3.590 4.170 -0.056 0.000 0.243 86 I C 1.279 177.321 176.117 -0.124 0.000 1.085 86 I CA 4.228 65.484 61.300 -0.074 0.000 1.347 86 I CB -0.287 37.641 38.000 -0.120 0.000 1.044 86 I HN -0.243 7.951 8.210 -0.026 0.000 0.408 87 A N -0.448 122.112 122.820 -0.435 0.000 1.902 87 A HA -0.330 3.403 4.320 -0.979 0.000 0.217 87 A C 1.976 179.216 177.584 -0.573 0.000 1.181 87 A CA 3.118 54.507 52.037 -1.079 0.000 0.623 87 A CB -0.841 16.726 19.000 -2.388 0.000 0.818 87 A HN -0.609 7.295 8.150 -0.410 0.000 0.443 88 I N -1.952 118.465 120.570 -0.255 0.000 2.163 88 I HA -0.602 3.710 4.170 0.238 0.000 0.243 88 I C 1.824 177.996 176.117 0.092 0.000 1.085 88 I CA 3.876 65.235 61.300 0.098 0.000 1.347 88 I CB -0.065 38.049 38.000 0.189 0.000 1.044 88 I HN -0.532 7.505 8.210 -0.289 0.000 0.408 89 A N -2.050 120.813 122.820 0.072 0.000 1.933 89 A HA -0.316 4.121 4.320 0.195 0.000 0.218 89 A C 1.756 179.432 177.584 0.154 0.000 1.175 89 A CA 2.969 55.091 52.037 0.141 0.000 0.628 89 A CB -0.746 18.320 19.000 0.109 0.000 0.814 89 A HN -0.219 7.951 8.150 0.033 0.000 0.444 90 A N -3.265 119.627 122.820 0.120 0.000 2.067 90 A HA -0.227 4.186 4.320 0.154 0.000 0.219 90 A C 1.144 178.816 177.584 0.146 0.000 1.158 90 A CA 2.577 54.711 52.037 0.161 0.000 0.661 90 A CB -0.423 18.734 19.000 0.261 0.000 0.801 90 A HN -0.096 8.101 8.150 0.078 0.000 0.452 91 D N -5.142 115.339 120.400 0.136 0.000 2.355 91 D HA -0.065 4.653 4.640 0.130 0.000 0.218 91 D C 0.674 176.983 176.300 0.016 0.000 1.004 91 D CA 1.630 55.703 54.000 0.122 0.000 0.880 91 D CB 0.162 41.079 40.800 0.196 0.000 0.911 91 D HN -0.657 7.762 8.370 0.127 0.027 0.528 92 K N -1.397 118.973 120.400 -0.051 0.000 2.399 92 K HA 0.041 4.185 4.320 -0.293 0.000 0.196 92 K C 0.644 176.863 176.600 -0.635 0.000 1.117 92 K CA 0.892 56.976 56.287 -0.338 0.000 0.965 92 K CB 2.582 34.849 32.500 -0.387 0.000 0.983 92 K HN -0.603 7.482 8.250 0.019 0.176 0.531 93 Y N -2.045 118.280 120.300 0.042 0.000 2.658 93 Y HA 0.448 5.118 4.550 0.020 -0.108 0.273 93 Y C 1.630 177.546 175.900 0.026 0.000 0.992 93 Y CA -1.538 56.578 58.100 0.025 0.000 1.105 93 Y CB -1.505 36.962 38.460 0.012 0.000 1.188 93 Y HN -0.317 7.992 8.280 0.050 0.000 0.616 94 C N 1.635 121.001 119.300 0.111 0.000 2.403 94 C HA -0.189 4.272 4.460 0.001 0.000 0.277 94 C C 1.365 176.402 174.990 0.078 0.000 1.248 94 C CA 0.840 59.914 59.018 0.093 0.000 1.762 94 C CB -0.642 27.142 27.740 0.073 0.000 2.014 94 C HN 0.153 nan 8.230 nan 0.000 0.486 95 E N 0.081 120.328 120.200 0.078 0.000 2.338 95 E HA -0.300 4.078 4.350 0.047 0.000 0.197 95 E C 0.015 176.647 176.600 0.055 0.000 1.007 95 E CA 1.274 57.710 56.400 0.059 0.000 0.849 95 E CB -1.038 28.695 29.700 0.054 0.000 0.774 95 E HN 0.502 8.889 8.360 0.084 0.024 0.506 96 K N -3.195 117.249 120.400 0.073 0.000 2.374 96 K HA 0.146 4.475 4.320 0.016 0.000 0.196 96 K C -1.088 175.516 176.600 0.007 0.000 1.023 96 K CA -0.348 55.959 56.287 0.032 0.000 1.103 96 K CB 0.633 33.145 32.500 0.020 0.000 0.848 96 K HN -0.519 7.625 8.250 0.108 0.170 0.528 97 I N -0.546 120.038 120.570 0.023 0.000 2.359 97 I HA 0.284 4.592 4.170 -0.024 -0.152 0.284 97 I C -0.357 175.756 176.117 -0.006 0.000 1.018 97 I CA -1.226 60.074 61.300 0.000 0.000 1.173 97 I CB 0.792 38.806 38.000 0.023 0.000 1.326 97 I HN -0.668 7.494 8.210 0.040 0.072 0.462 98 A N 8.236 131.043 122.820 -0.021 0.000 1.930 98 A HA -0.094 4.236 4.320 0.017 0.000 0.217 98 A C -1.017 176.556 177.584 -0.019 0.000 1.175 98 A CA 1.789 53.825 52.037 -0.001 0.000 0.627 98 A CB 1.022 20.023 19.000 0.002 0.000 0.815 98 A HN 0.487 8.614 8.150 -0.039 0.000 0.443 99 A N -7.193 115.593 122.820 -0.056 0.000 2.586 99 A HA 0.252 4.594 4.320 -0.147 -0.111 0.291 99 A C -2.885 174.650 177.584 -0.081 0.000 1.062 99 A CA -0.222 51.744 52.037 -0.117 0.000 0.666 99 A CB 2.550 21.438 19.000 -0.186 0.000 1.281 99 A HN -0.967 7.151 8.150 -0.053 0.000 0.421 100 A N -1.157 121.618 122.820 -0.075 0.000 2.343 100 A HA 0.894 5.287 4.320 -0.157 -0.168 0.316 100 A C -2.160 175.357 177.584 -0.112 0.000 1.104 100 A CA -2.017 49.941 52.037 -0.131 0.000 0.768 100 A CB 3.169 22.079 19.000 -0.150 0.000 1.213 100 A HN 0.474 8.581 8.150 -0.072 0.000 0.456 101 V N 2.574 122.373 119.914 -0.192 0.000 2.384 101 V HA 0.681 5.061 4.120 0.112 -0.193 0.287 101 V C -1.360 174.597 176.094 -0.229 0.000 1.020 101 V CA -2.271 59.996 62.300 -0.054 0.000 0.850 101 V CB 1.341 33.176 31.823 0.020 0.000 0.987 101 V HN 0.677 8.732 8.190 -0.226 0.000 0.436 102 F N 6.499 126.488 119.950 0.064 0.000 2.405 102 F HA 0.317 5.010 4.527 0.072 -0.123 0.355 102 F C -1.204 174.575 175.800 -0.036 0.000 1.121 102 F CA -0.886 57.127 58.000 0.021 0.000 1.112 102 F CB 1.570 40.570 39.000 -0.001 0.000 1.126 102 F HN 0.764 9.296 8.300 0.386 0.000 0.481 103 H N 5.819 124.900 119.070 0.017 0.000 2.725 103 H HA 0.395 5.037 4.556 -0.036 -0.107 0.283 103 H C -0.317 174.956 175.328 -0.092 0.000 1.110 103 H CA -1.331 54.698 56.048 -0.031 0.000 1.289 103 H CB 0.603 30.382 29.762 0.028 0.000 1.400 103 H HN 0.506 8.924 8.280 0.229 0.000 0.493 104 N N 7.456 126.100 118.700 -0.093 0.000 2.698 104 N HA -0.480 4.520 4.740 0.139 -0.177 0.258 104 N C -1.663 173.917 175.510 0.117 0.000 0.978 104 N CA 1.803 54.861 53.050 0.014 0.000 0.777 104 N CB -1.361 37.038 38.487 -0.146 0.000 0.907 104 N HN 0.306 8.598 8.380 -0.148 0.000 0.543 105 S N -3.145 112.708 115.700 0.255 0.000 2.568 105 S HA 0.157 5.114 4.470 0.459 -0.212 0.302 105 S C -1.100 173.913 174.600 0.688 0.000 1.082 105 S CA -1.534 56.948 58.200 0.469 0.000 1.009 105 S CB 2.150 65.602 63.200 0.420 0.000 1.069 105 S HN -0.398 7.967 8.310 0.091 0.000 0.500 106 V N -0.569 119.801 119.914 0.759 0.000 2.901 106 V HA -0.079 4.569 4.120 0.582 -0.179 0.307 106 V C -1.488 174.869 176.094 0.438 0.000 1.084 106 V CA -0.000 62.643 62.300 0.572 0.000 1.184 106 V CB -0.108 31.999 31.823 0.473 0.000 0.941 106 V HN 0.236 8.904 8.190 0.796 0.000 0.493 107 L N 5.897 127.282 121.223 0.271 0.000 2.457 107 L HA 0.589 4.907 4.340 -0.037 0.000 0.252 107 L C -2.539 174.409 176.870 0.130 0.000 1.132 107 L CA -3.171 51.709 54.840 0.068 0.000 0.938 107 L CB 0.409 42.442 42.059 -0.043 0.000 1.246 107 L HN 0.034 8.733 8.230 0.270 -0.307 0.476 108 P HA 0.066 4.580 4.420 0.157 0.000 0.271 108 P C -1.684 175.660 177.300 0.072 0.000 1.233 108 P CA -0.599 62.568 63.100 0.112 0.000 0.789 108 P CB 0.906 32.561 31.700 -0.076 0.000 0.951 109 D N -1.420 118.948 120.400 -0.054 0.000 2.727 109 D HA 0.282 4.285 4.640 -1.061 0.000 0.264 109 D C -0.385 175.830 176.300 -0.141 0.000 1.101 109 D CA -1.378 52.302 54.000 -0.533 0.000 1.122 109 D CB 2.519 42.913 40.800 -0.676 0.000 1.390 109 D HN -0.062 8.342 8.370 0.057 0.000 0.606 110 T N -8.180 106.232 114.554 -0.236 0.000 3.010 110 T HA 0.093 4.528 4.350 0.142 0.000 0.257 110 T C -0.141 174.561 174.700 0.004 0.000 1.020 110 T CA 0.431 62.548 62.100 0.029 0.000 0.938 110 T CB 1.201 70.137 68.868 0.114 0.000 1.049 110 T HN -0.109 7.847 8.240 -0.474 0.000 0.522 111 E N -0.279 119.814 120.200 -0.179 0.000 2.415 111 E HA 0.068 4.365 4.350 -0.087 0.000 0.197 111 E C -0.230 176.083 176.600 -0.479 0.000 1.007 111 E CA 0.554 56.787 56.400 -0.279 0.000 0.890 111 E CB 0.683 30.124 29.700 -0.431 0.000 0.891 111 E HN 0.187 8.512 8.360 -0.247 -0.113 0.496 112 H N -1.596 117.213 119.070 -0.436 0.000 2.797 112 H HA 0.193 4.468 4.556 -0.468 0.000 0.362 112 H C -1.157 173.437 175.328 -1.223 0.000 1.183 112 H CA -1.064 54.568 56.048 -0.692 0.000 1.197 112 H CB 2.967 32.101 29.762 -1.047 0.000 1.835 112 H HN -0.527 7.755 8.280 -0.420 -0.254 0.567 113 C N 0.503 119.296 119.300 -0.843 0.000 2.550 113 C HA -0.106 3.663 4.460 -1.153 0.000 0.406 113 C C 0.558 175.307 174.990 -0.402 0.000 1.366 113 C CA 0.060 58.650 59.018 -0.714 0.000 1.712 113 C CB -1.189 26.463 27.740 -0.148 0.000 2.613 113 C HN 0.293 8.259 8.230 -0.440 0.000 0.608 114 P HA -0.227 4.105 4.420 -0.147 0.000 0.218 114 P C -0.061 177.236 177.300 -0.005 0.000 1.146 114 P CA 2.310 65.275 63.100 -0.225 0.000 0.813 114 P CB 0.274 31.699 31.700 -0.459 0.000 0.778 115 S N -4.323 111.378 115.700 0.003 0.000 2.561 115 S HA -0.213 4.294 4.470 0.061 0.000 0.225 115 S C 0.834 175.503 174.600 0.115 0.000 0.977 115 S CA 1.351 59.587 58.200 0.060 0.000 0.926 115 S CB -0.464 62.764 63.200 0.046 0.000 0.769 115 S HN -0.651 7.575 8.310 -0.037 0.061 0.533 116 Y N 4.019 124.316 120.300 -0.004 0.000 2.069 116 Y HA -0.347 4.205 4.550 0.004 0.000 0.278 116 Y C 1.432 177.402 175.900 0.116 0.000 1.175 116 Y CA 3.732 61.846 58.100 0.025 0.000 1.134 116 Y CB 0.109 38.565 38.460 -0.006 0.000 0.965 116 Y HN -0.057 8.167 8.280 0.209 0.181 0.498 117 V N -5.274 114.748 119.914 0.179 0.000 2.719 117 V HA -0.201 4.025 4.120 0.177 0.000 0.252 117 V C 1.581 177.763 176.094 0.147 0.000 1.065 117 V CA 3.210 65.648 62.300 0.231 0.000 1.086 117 V CB -0.947 31.115 31.823 0.398 0.000 0.700 117 V HN -0.147 8.203 8.190 0.267 0.000 0.467 118 V N 2.841 122.807 119.914 0.086 0.000 2.358 118 V HA -0.459 3.666 4.120 0.008 0.000 0.246 118 V C 2.000 178.055 176.094 -0.066 0.000 1.047 118 V CA 4.010 66.323 62.300 0.022 0.000 1.035 118 V CB -1.012 30.852 31.823 0.068 0.000 0.658 118 V HN -0.846 7.410 8.190 0.111 0.000 0.452 119 D N -0.013 120.343 120.400 -0.074 0.000 2.123 119 D HA -0.343 4.239 4.640 -0.097 0.000 0.196 119 D C 2.466 178.638 176.300 -0.214 0.000 0.992 119 D CA 3.519 57.447 54.000 -0.119 0.000 0.833 119 D CB -0.754 39.993 40.800 -0.089 0.000 0.954 119 D HN -0.030 8.318 8.370 -0.038 0.000 0.455 120 K N -0.351 119.854 120.400 -0.324 0.000 2.057 120 K HA -0.211 3.815 4.320 -0.489 0.000 0.206 120 K C 2.027 178.378 176.600 -0.415 0.000 1.050 120 K CA 2.143 58.134 56.287 -0.495 0.000 0.935 120 K CB -0.309 31.604 32.500 -0.978 0.000 0.715 120 K HN -0.731 7.335 8.250 -0.307 0.000 0.439 121 L N 0.274 121.206 121.223 -0.484 0.000 2.043 121 L HA -0.377 3.191 4.340 -1.287 0.000 0.212 121 L C 1.479 178.159 176.870 -0.318 0.000 1.075 121 L CA 3.425 57.769 54.840 -0.828 0.000 0.752 121 L CB -0.245 41.243 42.059 -0.951 0.000 0.891 121 L HN -0.226 7.795 8.230 -0.348 0.000 0.432 122 M N -4.634 114.879 119.600 -0.145 0.000 2.296 122 M HA -0.273 4.302 4.480 0.158 0.000 0.265 122 M C 2.459 178.732 176.300 -0.044 0.000 1.064 122 M CA 1.147 56.447 55.300 -0.000 0.000 1.109 122 M CB -1.393 31.182 32.600 -0.043 0.000 1.396 122 M HN -0.350 7.827 8.290 -0.173 0.009 0.430 123 E N -0.942 119.180 120.200 -0.129 0.000 2.112 123 E HA -0.246 4.044 4.350 -0.099 0.000 0.190 123 E C 2.048 178.583 176.600 -0.108 0.000 0.979 123 E CA 2.153 58.478 56.400 -0.126 0.000 0.814 123 E CB -0.086 29.508 29.700 -0.177 0.000 0.762 123 E HN -0.799 7.331 8.360 -0.179 0.122 0.460 124 V N -1.898 117.938 119.914 -0.131 0.000 2.453 124 V HA -0.212 3.871 4.120 -0.062 0.000 0.247 124 V C 0.340 176.449 176.094 0.026 0.000 1.048 124 V CA 3.062 65.321 62.300 -0.068 0.000 1.049 124 V CB 0.682 32.457 31.823 -0.079 0.000 0.672 124 V HN -0.569 7.508 8.190 -0.189 0.000 0.457 125 F N -0.219 119.657 119.950 -0.123 0.000 2.660 125 F HA 0.560 5.045 4.527 -0.070 0.000 0.352 125 F C -2.700 173.159 175.800 0.098 0.000 1.257 125 F CA -3.153 54.802 58.000 -0.075 0.000 1.200 125 F CB 2.099 40.981 39.000 -0.196 0.000 1.473 125 F HN -0.244 8.088 8.300 0.054 0.000 0.561 126 P HA 0.215 4.826 4.420 0.137 -0.109 0.235 126 P C -0.951 176.407 177.300 0.097 0.000 1.177 126 P CA 0.642 63.764 63.100 0.036 0.000 0.785 126 P CB 0.255 31.925 31.700 -0.050 0.000 0.885 127 D N -0.837 119.465 120.400 -0.163 0.000 2.454 127 D HA -0.009 4.686 4.640 0.092 0.000 0.225 127 D C -0.803 175.515 176.300 0.030 0.000 1.081 127 D CA -1.128 52.840 54.000 -0.053 0.000 0.864 127 D CB -0.464 40.235 40.800 -0.169 0.000 1.040 127 D HN -0.337 7.727 8.370 -0.510 0.000 0.517 128 W N 4.392 125.712 121.300 0.034 0.000 3.391 128 W HA 0.026 4.876 4.660 0.317 0.000 0.372 128 W C -0.742 175.865 176.519 0.146 0.000 1.171 128 W CA -1.256 56.211 57.345 0.203 0.000 1.862 128 W CB -0.588 29.043 29.460 0.284 0.000 1.048 128 W HN 0.327 8.858 8.180 0.586 0.000 0.726 129 K N -1.916 118.628 120.400 0.241 0.000 1.979 129 K HA -0.424 4.025 4.320 0.113 -0.062 0.143 129 K C -0.566 176.125 176.600 0.151 0.000 1.185 129 K CA 2.018 58.398 56.287 0.156 0.000 0.336 129 K CB -1.742 30.842 32.500 0.141 0.000 0.680 129 K HN -0.173 8.402 8.250 0.199 -0.205 0.783 130 D N -1.761 118.717 120.400 0.130 0.000 2.328 130 D HA 0.019 4.701 4.640 0.069 0.000 0.221 130 D C 0.551 176.881 176.300 0.049 0.000 1.072 130 D CA -0.209 53.839 54.000 0.080 0.000 0.850 130 D CB -0.503 40.335 40.800 0.062 0.000 0.922 130 D HN 0.113 8.568 8.370 0.142 0.000 0.516 131 T N 4.526 119.133 114.554 0.089 0.000 2.934 131 T HA -0.229 4.320 4.350 -0.032 -0.218 0.306 131 T C 0.579 175.131 174.700 -0.246 0.000 1.042 131 T CA 2.385 64.459 62.100 -0.043 0.000 1.145 131 T CB 0.429 69.332 68.868 0.058 0.000 0.982 131 T HN -0.554 7.715 8.240 0.167 0.071 0.544 132 T N 4.884 119.247 114.554 -0.318 0.000 2.925 132 T HA 0.254 4.496 4.350 -0.180 0.000 0.285 132 T C -1.826 172.585 174.700 -0.481 0.000 1.021 132 T CA -1.587 60.355 62.100 -0.264 0.000 1.042 132 T CB 1.478 70.298 68.868 -0.079 0.000 1.037 132 T HN 0.159 8.251 8.240 -0.246 0.000 0.481 133 Y N -0.264 120.081 120.300 0.075 0.000 2.536 133 Y HA 0.639 5.336 4.550 -0.044 -0.174 0.347 133 Y C -0.485 175.501 175.900 0.143 0.000 1.000 133 Y CA -0.992 57.114 58.100 0.011 0.000 1.051 133 Y CB 3.766 42.171 38.460 -0.092 0.000 1.259 133 Y HN -0.100 8.238 8.280 0.096 0.000 0.468 134 F N -1.350 118.684 119.950 0.141 0.000 2.711 134 F HA 0.403 4.977 4.527 0.079 0.000 0.313 134 F C -1.978 173.874 175.800 0.087 0.000 1.141 134 F CA -1.280 56.775 58.000 0.091 0.000 0.941 134 F CB 1.928 40.971 39.000 0.071 0.000 1.349 134 F HN 0.386 8.549 8.300 -0.228 0.000 0.464 135 T N 0.962 115.636 114.554 0.200 0.000 2.885 135 T HA 0.887 5.385 4.350 -0.100 -0.207 0.285 135 T C -1.163 173.720 174.700 0.305 0.000 1.019 135 T CA -0.659 61.486 62.100 0.074 0.000 1.010 135 T CB 2.398 71.277 68.868 0.020 0.000 1.022 135 T HN -0.124 8.300 8.240 0.307 0.000 0.466 136 Y N 0.604 120.958 120.300 0.089 0.000 2.615 136 Y HA 0.336 4.956 4.550 0.117 0.000 0.341 136 Y C -2.693 173.248 175.900 0.068 0.000 1.089 136 Y CA -1.833 56.336 58.100 0.116 0.000 1.049 136 Y CB 1.567 40.134 38.460 0.179 0.000 1.296 136 Y HN 0.662 8.826 8.280 -0.193 0.000 0.470 137 T N 1.718 116.393 114.554 0.202 0.000 2.797 137 T HA 0.743 5.294 4.350 -0.019 -0.213 0.279 137 T C -0.350 174.471 174.700 0.201 0.000 0.991 137 T CA -1.277 60.880 62.100 0.094 0.000 0.979 137 T CB 1.037 69.952 68.868 0.078 0.000 0.943 137 T HN -0.010 8.409 8.240 0.299 0.000 0.444 138 K N 7.060 127.544 120.400 0.141 0.000 2.535 138 K HA 0.254 4.681 4.320 0.180 0.000 0.251 138 K C -1.131 175.536 176.600 0.112 0.000 0.942 138 K CA -0.560 55.837 56.287 0.184 0.000 0.798 138 K CB 2.449 35.140 32.500 0.318 0.000 1.267 138 K HN 0.389 8.674 8.250 0.058 0.000 0.434 139 D N 5.838 126.295 120.400 0.095 0.000 2.708 139 D HA -0.328 4.350 4.640 0.062 0.000 0.236 139 D C 0.152 176.482 176.300 0.050 0.000 1.146 139 D CA 1.152 55.193 54.000 0.068 0.000 0.662 139 D CB -1.650 39.190 40.800 0.068 0.000 1.059 139 D HN 0.831 9.262 8.370 0.101 0.000 0.428 140 G N -6.097 102.731 108.800 0.047 0.000 2.155 140 G HA2 -0.528 3.452 3.960 0.033 0.000 0.257 140 G HA3 -0.528 3.450 3.960 0.029 0.000 0.257 140 G C -0.844 174.068 174.900 0.020 0.000 0.983 140 G CA 0.282 45.401 45.100 0.032 0.000 0.676 140 G HN 0.469 8.760 8.290 0.056 0.032 0.528 141 K N 0.572 120.982 120.400 0.017 0.000 2.259 141 K HA 0.324 4.638 4.320 -0.009 0.000 0.249 141 K C -1.087 175.483 176.600 -0.051 0.000 0.942 141 K CA -2.378 53.905 56.287 -0.008 0.000 0.816 141 K CB 1.708 34.210 32.500 0.003 0.000 1.155 141 K HN -0.583 7.623 8.250 0.029 0.061 0.428 142 E N 2.367 122.523 120.200 -0.074 0.000 2.180 142 E HA 0.199 4.607 4.350 -0.139 -0.142 0.283 142 E C -0.294 176.176 176.600 -0.216 0.000 1.061 142 E CA -0.584 55.738 56.400 -0.130 0.000 0.861 142 E CB -0.428 29.216 29.700 -0.092 0.000 1.056 142 E HN 0.265 8.592 8.360 -0.054 0.000 0.407 143 I N 6.918 127.237 120.570 -0.418 0.000 2.412 143 I HA 0.136 4.093 4.170 -0.354 0.000 0.296 143 I C -0.738 175.044 176.117 -0.559 0.000 0.987 143 I CA -0.940 60.028 61.300 -0.554 0.000 1.180 143 I CB 2.862 40.349 38.000 -0.854 0.000 1.340 143 I HN 0.778 8.689 8.210 -0.498 0.000 0.455 144 T N 8.777 123.078 114.554 -0.421 0.000 2.728 144 T HA 0.381 4.662 4.350 -0.385 -0.162 0.296 144 T C -0.099 174.299 174.700 -0.504 0.000 0.940 144 T CA 0.338 62.200 62.100 -0.397 0.000 1.013 144 T CB 0.196 68.885 68.868 -0.298 0.000 0.912 144 T HN 0.357 8.379 8.240 -0.362 0.000 0.484 145 G N 4.024 112.343 108.800 -0.803 0.000 2.451 145 G HA2 0.801 4.540 3.960 -0.615 0.000 0.303 145 G HA3 0.801 3.605 3.960 -1.927 0.000 0.303 145 G C -2.356 172.067 174.900 -0.796 0.000 1.166 145 G CA -1.650 42.797 45.100 -1.089 0.000 0.884 145 G HN 0.422 8.164 8.290 -0.914 0.000 0.514 146 L N -6.595 114.438 121.223 -0.318 0.000 2.415 146 L HA 1.034 5.431 4.340 -0.190 -0.171 0.256 146 L C -2.484 174.429 176.870 0.072 0.000 1.010 146 L CA -1.547 53.207 54.840 -0.144 0.000 0.826 146 L CB 4.254 46.186 42.059 -0.211 0.000 1.405 146 L HN 0.459 8.553 8.230 -0.227 0.000 0.410 147 K N 0.810 121.219 120.400 0.016 0.000 2.502 147 K HA 0.423 4.805 4.320 0.104 0.000 0.254 147 K C -1.387 175.230 176.600 0.029 0.000 0.947 147 K CA -1.837 54.486 56.287 0.059 0.000 0.834 147 K CB 3.018 35.543 32.500 0.043 0.000 1.112 147 K HN 0.082 8.269 8.250 -0.105 0.000 0.427 148 L N 6.143 127.448 121.223 0.136 0.000 2.540 148 L HA -0.159 4.319 4.340 0.231 0.000 0.276 148 L C 0.916 177.907 176.870 0.202 0.000 1.212 148 L CA 0.324 55.295 54.840 0.218 0.000 0.893 148 L CB -0.085 42.161 42.059 0.312 0.000 1.138 148 L HN 0.411 8.737 8.230 0.160 0.000 0.491 149 G N 1.075 109.987 108.800 0.187 0.000 2.491 149 G HA2 0.022 4.004 3.960 0.035 0.000 0.242 149 G HA3 0.022 4.234 3.960 0.141 -0.167 0.242 149 G C 0.344 175.456 174.900 0.353 0.000 1.266 149 G CA -0.598 44.596 45.100 0.158 0.000 0.844 149 G HN -0.184 8.228 8.290 0.204 0.000 0.571 150 F N 2.860 122.872 119.950 0.103 0.000 2.234 150 F HA -0.173 4.455 4.527 0.169 0.000 0.299 150 F C 1.900 177.821 175.800 0.202 0.000 1.087 150 F CA 0.530 58.623 58.000 0.155 0.000 1.340 150 F CB -0.692 38.373 39.000 0.108 0.000 1.031 150 F HN 0.292 8.744 8.300 0.197 -0.034 0.500 151 T N 2.621 117.364 114.554 0.314 0.000 2.777 151 T HA -0.313 4.140 4.350 0.172 0.000 0.266 151 T C 1.561 176.364 174.700 0.172 0.000 1.040 151 T CA 4.604 66.821 62.100 0.195 0.000 1.141 151 T CB 0.039 68.989 68.868 0.137 0.000 0.868 151 T HN -0.083 8.777 8.240 0.282 -0.451 0.444 152 L N 2.734 124.079 121.223 0.202 0.000 2.012 152 L HA -0.250 4.185 4.340 0.159 0.000 0.210 152 L C 1.882 178.873 176.870 0.202 0.000 1.073 152 L CA 3.182 58.135 54.840 0.188 0.000 0.748 152 L CB -0.297 41.891 42.059 0.215 0.000 0.891 152 L HN -0.540 8.082 8.230 0.215 -0.263 0.431 153 L N -2.580 118.820 121.223 0.296 0.000 2.012 153 L HA -0.546 4.065 4.340 0.451 0.000 0.210 153 L C 2.000 179.058 176.870 0.314 0.000 1.073 153 L CA 3.493 58.570 54.840 0.396 0.000 0.748 153 L CB -0.764 41.535 42.059 0.399 0.000 0.891 153 L HN 0.007 8.431 8.230 0.323 0.000 0.431 154 R N -1.697 118.865 120.500 0.103 0.000 2.075 154 R HA -0.415 3.564 4.340 -0.602 0.000 0.232 154 R C 2.242 178.477 176.300 -0.108 0.000 1.126 154 R CA 3.696 59.600 56.100 -0.327 0.000 0.963 154 R CB 0.092 30.069 30.300 -0.540 0.000 0.858 154 R HN -0.254 8.125 8.270 0.182 0.000 0.435 155 E N -4.179 116.015 120.200 -0.010 0.000 2.216 155 E HA -0.125 4.213 4.350 -0.021 0.000 0.192 155 E C 1.725 178.339 176.600 0.024 0.000 0.973 155 E CA 2.553 58.956 56.400 0.005 0.000 0.851 155 E CB 0.593 30.309 29.700 0.028 0.000 0.804 155 E HN -0.164 8.214 8.360 0.030 0.000 0.477 156 N N -1.953 116.767 118.700 0.034 0.000 2.460 156 N HA 0.083 4.803 4.740 -0.032 0.000 0.193 156 N C 0.772 176.223 175.510 -0.099 0.000 1.080 156 N CA 2.350 55.377 53.050 -0.038 0.000 0.869 156 N CB 1.597 40.041 38.487 -0.070 0.000 1.201 156 N HN -0.183 8.234 8.380 0.062 0.000 0.457 157 L N -1.057 120.167 121.223 0.002 0.000 2.286 157 L HA -0.040 4.212 4.340 -0.146 0.000 0.203 157 L C -0.215 176.595 176.870 -0.100 0.000 1.068 157 L CA 2.313 57.132 54.840 -0.036 0.000 0.811 157 L CB 1.152 43.270 42.059 0.100 0.000 0.989 157 L HN -0.679 7.609 8.230 0.098 0.000 0.467 158 Y N -5.189 115.153 120.300 0.071 0.000 2.720 158 Y HA 0.375 4.970 4.550 0.076 0.000 0.277 158 Y C 0.584 176.482 175.900 -0.003 0.000 1.144 158 Y CA -1.226 56.914 58.100 0.067 0.000 1.221 158 Y CB -1.364 37.182 38.460 0.144 0.000 1.163 158 Y HN -0.209 8.278 8.280 0.345 0.000 0.537 159 T N 2.205 116.801 114.554 0.070 0.000 2.649 159 T HA -0.313 4.202 4.350 0.004 -0.163 0.268 159 T C 0.770 175.479 174.700 0.015 0.000 1.036 159 T CA 4.402 66.514 62.100 0.021 0.000 1.157 159 T CB -0.133 68.739 68.868 0.007 0.000 0.861 159 T HN -0.016 8.180 8.240 0.048 0.073 0.445 160 L N -2.508 118.729 121.223 0.024 0.000 2.857 160 L HA 0.199 4.546 4.340 0.012 0.000 0.249 160 L C -0.367 176.528 176.870 0.041 0.000 1.172 160 L CA -0.761 54.091 54.840 0.019 0.000 0.980 160 L CB 0.693 42.753 42.059 0.003 0.000 1.299 160 L HN -0.448 8.123 8.230 0.024 -0.327 0.535 161 C N 0.232 119.585 119.300 0.087 0.000 2.604 161 C HA 0.076 4.597 4.460 0.101 0.000 0.396 161 C C 1.039 176.097 174.990 0.112 0.000 1.282 161 C CA 0.679 59.776 59.018 0.133 0.000 2.292 161 C CB 0.097 28.004 27.740 0.278 0.000 2.633 161 C HN -0.507 7.659 8.230 0.103 0.126 0.620 162 G N 0.021 108.885 108.800 0.106 0.000 2.588 162 G HA2 0.348 4.345 3.960 0.062 0.000 0.278 162 G HA3 0.348 4.351 3.960 0.071 0.000 0.278 162 G C -1.394 173.570 174.900 0.107 0.000 1.307 162 G CA -1.027 44.122 45.100 0.083 0.000 1.016 162 G HN 0.576 9.189 8.290 0.109 -0.257 0.503 163 P HA -0.183 4.340 4.420 0.172 0.000 0.218 163 P C 1.226 178.568 177.300 0.071 0.000 1.149 163 P CA 2.217 65.382 63.100 0.107 0.000 0.817 163 P CB 0.261 32.000 31.700 0.065 0.000 0.785 164 E N -1.900 118.328 120.200 0.046 0.000 2.208 164 E HA -0.208 4.124 4.350 -0.029 0.000 0.193 164 E C 2.559 179.166 176.600 0.011 0.000 0.988 164 E CA 3.227 59.631 56.400 0.007 0.000 0.828 164 E CB -0.688 29.022 29.700 0.016 0.000 0.763 164 E HN 0.512 8.868 8.360 0.054 0.037 0.478 165 E N 0.063 120.316 120.200 0.089 0.000 2.076 165 E HA -0.175 4.262 4.350 0.144 0.000 0.190 165 E C 1.842 178.465 176.600 0.038 0.000 0.979 165 E CA 2.043 58.531 56.400 0.146 0.000 0.807 165 E CB -0.202 29.658 29.700 0.267 0.000 0.761 165 E HN -0.367 7.959 8.360 0.110 0.100 0.454 166 Y N 0.777 121.008 120.300 -0.115 0.000 2.207 166 Y HA -0.451 3.745 4.550 -0.589 0.000 0.287 166 Y C 1.645 177.319 175.900 -0.377 0.000 1.156 166 Y CA 2.880 60.783 58.100 -0.329 0.000 1.182 166 Y CB -0.009 38.341 38.460 -0.184 0.000 0.979 166 Y HN -0.335 8.063 8.280 0.198 0.000 0.521 167 E N -0.552 119.409 120.200 -0.398 0.000 2.085 167 E HA -0.375 3.567 4.350 -0.680 0.000 0.194 167 E C 2.254 178.544 176.600 -0.518 0.000 0.994 167 E CA 2.965 59.066 56.400 -0.499 0.000 0.801 167 E CB -0.802 28.732 29.700 -0.277 0.000 0.743 167 E HN -0.370 7.875 8.360 -0.177 0.009 0.453 168 L N -1.672 119.303 121.223 -0.412 0.000 2.042 168 L HA -0.365 3.662 4.340 -0.521 0.000 0.210 168 L C 1.994 178.422 176.870 -0.737 0.000 1.076 168 L CA 3.097 57.627 54.840 -0.517 0.000 0.749 168 L CB -0.320 41.512 42.059 -0.377 0.000 0.893 168 L HN -0.698 7.349 8.230 -0.304 0.000 0.432 169 A N -1.604 120.840 122.820 -0.627 0.000 1.902 169 A HA -0.347 3.676 4.320 -0.494 0.000 0.217 169 A C 2.104 179.314 177.584 -0.624 0.000 1.181 169 A CA 3.047 54.742 52.037 -0.571 0.000 0.623 169 A CB -0.720 17.837 19.000 -0.740 0.000 0.818 169 A HN -0.413 7.402 8.150 -0.544 0.008 0.443 170 K N -2.294 117.590 120.400 -0.859 0.000 2.097 170 K HA -0.295 3.354 4.320 -1.119 0.000 0.206 170 K C 2.296 178.574 176.600 -0.536 0.000 1.049 170 K CA 2.665 58.351 56.287 -1.003 0.000 0.933 170 K CB -0.063 31.602 32.500 -1.392 0.000 0.717 170 K HN -0.443 7.230 8.250 -0.962 0.000 0.442 171 M N -2.716 116.579 119.600 -0.509 0.000 2.156 171 M HA -0.278 4.033 4.480 -0.281 0.000 0.264 171 M C 1.737 177.816 176.300 -0.368 0.000 1.067 171 M CA 3.184 58.258 55.300 -0.377 0.000 1.131 171 M CB 0.617 32.983 32.600 -0.390 0.000 1.368 171 M HN -0.408 7.532 8.290 -0.584 0.000 0.416 172 L N -5.929 114.963 121.223 -0.552 0.000 2.575 172 L HA 0.207 4.293 4.340 -0.423 0.000 0.228 172 L C 0.526 177.232 176.870 -0.272 0.000 1.075 172 L CA -0.345 54.142 54.840 -0.589 0.000 0.867 172 L CB 1.100 42.351 42.059 -1.347 0.000 1.097 172 L HN -0.364 7.472 8.230 -0.656 0.000 0.485 173 T N 0.171 114.617 114.554 -0.180 0.000 2.940 173 T HA -0.114 4.464 4.350 0.101 -0.168 0.309 173 T C -0.395 174.326 174.700 0.034 0.000 1.056 173 T CA 0.914 63.017 62.100 0.005 0.000 1.137 173 T CB 0.773 69.624 68.868 -0.027 0.000 0.976 173 T HN -0.516 7.551 8.240 -0.288 0.000 0.547 174 R N 3.308 123.855 120.500 0.078 0.000 2.888 174 R HA 0.336 4.705 4.340 0.047 0.000 0.266 174 R C -1.121 175.239 176.300 0.100 0.000 1.020 174 R CA -1.839 54.304 56.100 0.073 0.000 0.963 174 R CB 3.774 34.121 30.300 0.078 0.000 1.197 174 R HN -0.126 8.205 8.270 0.100 0.000 0.481 175 K N 0.502 120.957 120.400 0.091 0.000 2.485 175 K HA 0.071 4.677 4.320 0.182 -0.177 0.277 175 K C -0.792 175.899 176.600 0.152 0.000 0.990 175 K CA 0.525 56.910 56.287 0.163 0.000 0.994 175 K CB 0.028 32.641 32.500 0.188 0.000 0.906 175 K HN 0.271 8.554 8.250 0.055 0.000 0.488 176 G N 1.394 110.271 108.800 0.129 0.000 2.870 176 G HA2 0.330 4.294 3.960 0.006 0.000 0.299 176 G HA3 0.330 4.294 3.960 0.007 0.000 0.299 176 G C -2.839 171.972 174.900 -0.150 0.000 1.324 176 G CA -1.237 43.866 45.100 0.005 0.000 0.808 176 G HN 0.323 8.702 8.290 0.148 0.000 0.535 177 S N -1.878 113.601 115.700 -0.368 0.000 2.537 177 S HA 0.245 4.463 4.470 -0.419 0.000 0.271 177 S C -1.006 173.275 174.600 -0.532 0.000 1.148 177 S CA -0.671 57.163 58.200 -0.610 0.000 0.868 177 S CB 1.794 64.296 63.200 -1.164 0.000 1.115 177 S HN -0.048 8.032 8.310 -0.383 0.000 0.461 178 L N 1.925 122.993 121.223 -0.258 0.000 2.418 178 L HA 0.062 4.603 4.340 0.335 0.000 0.218 178 L C 0.478 177.547 176.870 0.332 0.000 1.125 178 L CA 0.876 55.790 54.840 0.123 0.000 0.835 178 L CB 0.831 42.955 42.059 0.108 0.000 0.953 178 L HN 0.712 8.782 8.230 -0.267 0.000 0.454 179 F N -5.391 114.626 119.950 0.111 0.000 3.067 179 F HA -0.496 4.042 4.527 0.020 0.000 0.279 179 F C 0.439 176.307 175.800 0.115 0.000 0.945 179 F CA 0.462 58.528 58.000 0.109 0.000 0.948 179 F CB -3.139 35.984 39.000 0.204 0.000 0.898 179 F HN -0.685 7.292 8.300 -0.457 0.048 0.746 180 Q N 0.279 120.159 119.800 0.134 0.000 2.084 180 Q HA -0.492 3.930 4.340 0.137 0.000 0.202 180 Q C 1.049 177.091 176.000 0.071 0.000 0.978 180 Q CA 3.996 59.855 55.803 0.094 0.000 0.844 180 Q CB 0.194 28.935 28.738 0.005 0.000 0.898 180 Q HN 0.348 8.640 8.270 0.037 0.000 0.426 181 N N -2.208 116.515 118.700 0.037 0.000 2.331 181 N HA -0.216 4.534 4.740 0.017 0.000 0.180 181 N C 1.575 177.119 175.510 0.057 0.000 1.019 181 N CA 2.468 55.533 53.050 0.026 0.000 0.881 181 N CB -1.320 37.160 38.487 -0.012 0.000 0.972 181 N HN 0.024 8.413 8.380 0.015 0.000 0.435 182 I N 0.303 120.940 120.570 0.110 0.000 2.333 182 I HA -0.247 3.973 4.170 0.083 0.000 0.246 182 I C 2.239 178.418 176.117 0.103 0.000 1.106 182 I CA 1.338 62.710 61.300 0.119 0.000 1.411 182 I CB -0.925 37.184 38.000 0.183 0.000 1.082 182 I HN -0.846 7.418 8.210 0.141 0.031 0.420 183 L N -0.136 121.168 121.223 0.136 0.000 2.043 183 L HA -0.444 3.924 4.340 0.048 0.000 0.212 183 L C 2.894 179.777 176.870 0.021 0.000 1.075 183 L CA 3.162 58.044 54.840 0.071 0.000 0.752 183 L CB -0.926 41.185 42.059 0.086 0.000 0.891 183 L HN 0.168 8.514 8.230 0.194 0.000 0.432 184 A N -2.551 120.293 122.820 0.040 0.000 2.019 184 A HA -0.201 4.134 4.320 0.026 0.000 0.219 184 A C 0.695 178.304 177.584 0.041 0.000 1.164 184 A CA 2.367 54.424 52.037 0.033 0.000 0.644 184 A CB -0.405 18.616 19.000 0.035 0.000 0.805 184 A HN -0.288 7.793 8.150 0.055 0.102 0.449 185 K N -5.272 115.151 120.400 0.038 0.000 2.374 185 K HA 0.069 4.418 4.320 0.049 0.000 0.196 185 K C -0.104 176.516 176.600 0.032 0.000 1.023 185 K CA -0.461 55.850 56.287 0.040 0.000 1.103 185 K CB 0.712 33.232 32.500 0.032 0.000 0.848 185 K HN -0.596 7.642 8.250 0.039 0.035 0.528 186 R N 1.731 122.237 120.500 0.011 0.000 2.539 186 R HA 0.117 4.452 4.340 -0.007 0.000 0.275 186 R C -2.257 174.040 176.300 -0.005 0.000 1.077 186 R CA -1.478 54.609 56.100 -0.022 0.000 1.097 186 R CB 0.243 30.495 30.300 -0.079 0.000 1.018 186 R HN -0.853 7.243 8.270 0.004 0.176 0.483 187 P HA -0.081 4.371 4.420 0.052 0.000 0.266 187 P C -1.228 176.085 177.300 0.021 0.000 1.193 187 P CA 0.034 63.147 63.100 0.021 0.000 0.770 187 P CB 0.452 32.143 31.700 -0.015 0.000 0.836 188 F N -0.051 119.778 119.950 -0.203 0.000 2.553 188 F HA -0.149 4.164 4.527 -0.357 0.000 0.356 188 F C 0.983 176.640 175.800 -0.238 0.000 1.142 188 F CA -0.910 56.941 58.000 -0.248 0.000 1.322 188 F CB 0.116 39.043 39.000 -0.121 0.000 1.126 188 F HN -0.316 8.160 8.300 0.294 0.000 0.599 189 F N 2.031 122.062 119.950 0.135 0.000 2.563 189 F HA -0.054 4.688 4.527 0.087 -0.163 0.363 189 F C 1.153 177.059 175.800 0.177 0.000 1.123 189 F CA 0.608 58.673 58.000 0.108 0.000 1.307 189 F CB 0.011 39.023 39.000 0.021 0.000 1.115 189 F HN 0.425 8.498 8.300 -0.379 0.000 0.592 190 T N -0.135 114.638 114.554 0.366 0.000 2.909 190 T HA 0.210 4.679 4.350 0.199 0.000 0.289 190 T C 0.939 175.774 174.700 0.225 0.000 1.005 190 T CA -1.255 60.986 62.100 0.235 0.000 1.084 190 T CB 2.355 71.320 68.868 0.161 0.000 0.975 190 T HN 0.208 9.156 8.240 0.403 -0.467 0.509 191 K N 3.403 123.892 120.400 0.149 0.000 2.097 191 K HA -0.292 4.106 4.320 0.130 0.000 0.205 191 K C 1.569 178.222 176.600 0.087 0.000 1.050 191 K CA 3.466 59.821 56.287 0.113 0.000 0.938 191 K CB -0.425 32.120 32.500 0.075 0.000 0.718 191 K HN 0.548 8.875 8.250 0.127 0.000 0.442 192 E N -2.282 117.966 120.200 0.079 0.000 2.152 192 E HA -0.155 4.222 4.350 0.045 0.000 0.192 192 E C 0.483 177.123 176.600 0.067 0.000 0.983 192 E CA 1.681 58.116 56.400 0.058 0.000 0.818 192 E CB -0.349 29.379 29.700 0.046 0.000 0.758 192 E HN 0.081 8.491 8.360 0.084 0.000 0.467 193 G N -1.397 107.464 108.800 0.102 0.000 2.756 193 G HA2 -0.007 4.008 3.960 0.093 0.000 0.203 193 G HA3 -0.007 4.184 3.960 0.140 -0.147 0.203 193 G C -0.041 174.956 174.900 0.161 0.000 2.015 193 G CA 0.067 45.241 45.100 0.123 0.000 0.835 193 G HN -0.696 7.622 8.290 0.121 0.045 0.648 194 Y N 4.879 125.232 120.300 0.089 0.000 2.114 194 Y HA -0.400 4.189 4.550 0.065 0.000 0.282 194 Y C 2.292 178.265 175.900 0.121 0.000 1.165 194 Y CA 2.389 60.539 58.100 0.084 0.000 1.148 194 Y CB 0.003 38.492 38.460 0.049 0.000 0.972 194 Y HN 0.092 8.926 8.280 0.337 -0.352 0.504 195 G N -4.599 104.211 108.800 0.016 0.000 2.448 195 G HA2 -0.417 3.475 3.960 -0.113 0.000 0.219 195 G HA3 -0.417 3.651 3.960 0.053 -0.076 0.219 195 G C 1.058 175.912 174.900 -0.077 0.000 1.127 195 G CA 1.731 46.803 45.100 -0.047 0.000 0.766 195 G HN 0.146 8.534 8.290 0.163 0.000 0.552 196 S N 0.164 115.842 115.700 -0.036 0.000 2.496 196 S HA -0.128 4.321 4.470 -0.034 0.000 0.224 196 S C 0.911 175.478 174.600 -0.054 0.000 0.996 196 S CA 0.781 58.963 58.200 -0.031 0.000 0.927 196 S CB 0.372 63.574 63.200 0.004 0.000 0.774 196 S HN -0.526 7.741 8.310 -0.001 0.042 0.524 197 I N -2.274 118.252 120.570 -0.073 0.000 2.720 197 I HA 0.105 4.250 4.170 -0.042 0.000 0.287 197 I C -0.516 175.533 176.117 -0.113 0.000 1.090 197 I CA 0.091 61.353 61.300 -0.062 0.000 1.384 197 I CB 1.129 39.123 38.000 -0.011 0.000 1.420 197 I HN -0.908 7.247 8.210 -0.091 0.000 0.575 198 K N 4.153 124.470 120.400 -0.137 0.000 2.368 198 K HA 0.038 4.411 4.320 -0.210 -0.179 0.282 198 K C -0.287 176.203 176.600 -0.183 0.000 1.035 198 K CA -0.255 55.886 56.287 -0.243 0.000 0.973 198 K CB -0.173 32.020 32.500 -0.512 0.000 0.957 198 K HN 0.295 8.474 8.250 -0.119 0.000 0.474 199 K N 3.337 123.661 120.400 -0.126 0.000 2.502 199 K HA 0.677 5.333 4.320 0.246 -0.188 0.254 199 K C -1.343 175.323 176.600 0.111 0.000 0.947 199 K CA -0.975 55.371 56.287 0.097 0.000 0.834 199 K CB 2.559 35.085 32.500 0.043 0.000 1.112 199 K HN 0.186 8.648 8.250 -0.174 -0.316 0.427 200 I N 3.684 124.411 120.570 0.262 0.000 2.362 200 I HA 0.354 4.859 4.170 0.253 -0.184 0.289 200 I C -1.704 174.680 176.117 0.445 0.000 0.994 200 I CA -1.040 60.440 61.300 0.300 0.000 1.158 200 I CB 2.302 40.477 38.000 0.291 0.000 1.315 200 I HN 0.623 9.031 8.210 0.329 0.000 0.451 201 Y N 9.017 129.479 120.300 0.269 0.000 2.342 201 Y HA 0.230 4.991 4.550 0.351 0.000 0.338 201 Y C -2.231 173.879 175.900 0.351 0.000 0.965 201 Y CA -1.540 56.721 58.100 0.268 0.000 1.159 201 Y CB 2.299 40.799 38.460 0.067 0.000 1.157 201 Y HN 0.603 9.137 8.280 0.424 0.000 0.486 202 V N 8.342 128.338 119.914 0.137 0.000 2.459 202 V HA 0.881 5.469 4.120 0.383 -0.239 0.295 202 V C -1.303 174.885 176.094 0.157 0.000 1.029 202 V CA -1.920 60.505 62.300 0.209 0.000 0.874 202 V CB 2.171 34.045 31.823 0.085 0.000 0.985 202 V HN 0.664 8.828 8.190 -0.043 0.000 0.438 203 W N 3.695 124.985 121.300 -0.017 0.000 3.005 203 W HA 0.798 5.567 4.660 -0.110 -0.175 0.343 203 W C -2.957 173.570 176.519 0.013 0.000 1.243 203 W CA -1.763 55.576 57.345 -0.011 0.000 1.186 203 W CB 2.882 32.447 29.460 0.175 0.000 1.453 203 W HN 0.606 8.977 8.180 0.319 0.000 0.575 204 T N 0.687 115.173 114.554 -0.112 0.000 2.863 204 T HA 0.495 4.579 4.350 -0.624 -0.108 0.285 204 T C 0.224 174.762 174.700 -0.271 0.000 1.009 204 T CA -2.392 59.492 62.100 -0.359 0.000 0.989 204 T CB 2.642 71.395 68.868 -0.192 0.000 1.004 204 T HN -0.173 8.363 8.240 0.117 -0.226 0.455 205 D N 7.197 127.286 120.400 -0.519 0.000 2.363 205 D HA -0.082 4.640 4.640 0.137 0.000 0.226 205 D C 0.347 176.651 176.300 0.007 0.000 1.020 205 D CA 0.599 54.509 54.000 -0.150 0.000 0.892 205 D CB -1.209 39.475 40.800 -0.194 0.000 0.900 205 D HN 0.688 8.659 8.370 -0.666 0.000 0.531 206 Q N -3.048 116.734 119.800 -0.030 0.000 2.246 206 Q HA 0.115 4.470 4.340 0.025 0.000 0.202 206 Q C -0.140 175.884 176.000 0.040 0.000 0.883 206 Q CA -1.211 54.596 55.803 0.007 0.000 0.952 206 Q CB -0.042 28.680 28.738 -0.026 0.000 1.078 206 Q HN -0.581 7.562 8.270 -0.088 0.074 0.493 207 D N 1.916 122.371 120.400 0.092 0.000 2.401 207 D HA -0.125 4.563 4.640 0.081 0.000 0.254 207 D C 0.027 176.375 176.300 0.080 0.000 1.192 207 D CA 0.703 54.772 54.000 0.116 0.000 0.885 207 D CB 0.982 41.925 40.800 0.238 0.000 1.147 207 D HN -0.860 7.512 8.370 0.116 0.068 0.478 208 E N 5.021 125.221 120.200 0.000 0.000 2.465 208 E HA 0.058 4.428 4.350 0.033 0.000 0.191 208 E C -0.239 176.256 176.600 -0.175 0.000 1.053 208 E CA 0.878 57.264 56.400 -0.023 0.000 0.869 208 E CB -0.190 29.507 29.700 -0.004 0.000 0.977 208 E HN 0.403 8.755 8.360 -0.014 0.000 0.483 209 I N -2.290 118.069 120.570 -0.351 0.000 3.739 209 I HA 0.017 3.422 4.170 -1.276 0.000 0.272 209 I C -0.856 175.043 176.117 -0.365 0.000 1.167 209 I CA 1.104 61.904 61.300 -0.834 0.000 1.386 209 I CB 2.703 40.036 38.000 -1.112 0.000 1.490 209 I HN -0.150 8.163 8.210 -0.249 -0.253 0.452 210 F N 1.430 121.184 119.950 -0.326 0.000 2.567 210 F HA 0.027 4.541 4.527 -0.021 0.000 0.352 210 F C -0.797 175.117 175.800 0.191 0.000 1.229 210 F CA -1.395 56.629 58.000 0.040 0.000 1.228 210 F CB -2.054 37.112 39.000 0.278 0.000 1.568 210 F HN -0.574 8.012 8.300 0.040 -0.262 0.634 211 L N 1.270 122.657 121.223 0.273 0.000 2.472 211 L HA 0.152 4.795 4.340 0.241 -0.158 0.260 211 L C -0.220 176.843 176.870 0.322 0.000 1.209 211 L CA -1.593 53.402 54.840 0.259 0.000 0.817 211 L CB -0.609 41.571 42.059 0.201 0.000 1.106 211 L HN -0.770 7.569 8.230 0.182 0.000 0.479 212 P HA -0.282 4.431 4.420 0.489 0.000 0.215 212 P C 1.486 178.899 177.300 0.190 0.000 1.153 212 P CA 3.104 66.417 63.100 0.355 0.000 0.853 212 P CB 0.080 31.997 31.700 0.361 0.000 0.788 213 E N -2.791 117.511 120.200 0.171 0.000 2.097 213 E HA -0.294 4.120 4.350 0.108 0.000 0.196 213 E C 2.124 178.809 176.600 0.141 0.000 1.000 213 E CA 3.238 59.714 56.400 0.127 0.000 0.804 213 E CB -0.514 29.246 29.700 0.100 0.000 0.740 213 E HN 0.446 8.914 8.360 0.179 0.000 0.454 214 F N 0.293 120.251 119.950 0.013 0.000 2.113 214 F HA -0.274 4.216 4.527 -0.061 0.000 0.297 214 F C 1.720 177.562 175.800 0.070 0.000 1.103 214 F CA 2.816 60.808 58.000 -0.014 0.000 1.248 214 F CB 0.168 39.103 39.000 -0.109 0.000 0.999 214 F HN -0.673 7.793 8.300 0.290 0.008 0.475 215 Q N -0.663 119.079 119.800 -0.096 0.000 2.079 215 Q HA -0.344 3.788 4.340 -0.347 0.000 0.200 215 Q C 2.734 178.389 176.000 -0.576 0.000 0.974 215 Q CA 3.256 58.870 55.803 -0.316 0.000 0.840 215 Q CB 0.172 28.825 28.738 -0.141 0.000 0.898 215 Q HN -0.312 8.035 8.270 0.128 0.000 0.430 216 L N -1.873 119.076 121.223 -0.458 0.000 2.141 216 L HA -0.288 3.718 4.340 -0.555 0.000 0.209 216 L C 2.056 178.779 176.870 -0.244 0.000 1.094 216 L CA 2.857 57.464 54.840 -0.389 0.000 0.763 216 L CB -0.458 41.495 42.059 -0.177 0.000 0.908 216 L HN -0.034 8.003 8.230 -0.321 0.000 0.437 217 W N -0.225 120.877 121.300 -0.330 0.000 2.358 217 W HA -0.492 4.043 4.660 -0.208 0.000 0.303 217 W C 1.473 177.777 176.519 -0.358 0.000 1.208 217 W CA 4.181 61.358 57.345 -0.280 0.000 1.274 217 W CB -0.012 29.316 29.460 -0.221 0.000 1.138 217 W HN -0.558 7.642 8.180 0.034 0.000 0.515 218 Q N -2.235 117.343 119.800 -0.370 0.000 2.084 218 Q HA -0.465 3.452 4.340 -0.706 0.000 0.202 218 Q C 2.727 178.353 176.000 -0.624 0.000 0.978 218 Q CA 3.527 58.983 55.803 -0.578 0.000 0.844 218 Q CB 0.024 28.459 28.738 -0.504 0.000 0.898 218 Q HN -0.327 7.768 8.270 -0.292 0.000 0.426 219 I N -0.735 119.410 120.570 -0.709 0.000 2.226 219 I HA -0.450 3.289 4.170 -0.719 0.000 0.245 219 I C 1.887 177.738 176.117 -0.443 0.000 1.100 219 I CA 4.189 65.091 61.300 -0.663 0.000 1.374 219 I CB 0.016 37.600 38.000 -0.692 0.000 1.057 219 I HN -0.344 7.430 8.210 -0.727 0.000 0.413 220 E N -1.134 118.820 120.200 -0.409 0.000 2.106 220 E HA -0.307 3.889 4.350 -0.256 0.000 0.192 220 E C 1.820 178.215 176.600 -0.341 0.000 0.984 220 E CA 2.498 58.706 56.400 -0.319 0.000 0.806 220 E CB -0.136 29.404 29.700 -0.267 0.000 0.750 220 E HN -0.555 7.545 8.360 -0.433 0.000 0.458 221 N N -1.683 116.709 118.700 -0.512 0.000 2.188 221 N HA -0.212 4.296 4.740 -0.388 0.000 0.184 221 N C -0.008 175.414 175.510 -0.147 0.000 1.018 221 N CA 2.104 54.881 53.050 -0.455 0.000 0.858 221 N CB 0.985 38.955 38.487 -0.861 0.000 0.989 221 N HN -0.465 7.441 8.380 -0.644 0.087 0.426 222 Y N -1.648 118.453 120.300 -0.331 0.000 2.422 222 Y HA 0.052 4.491 4.550 -0.185 0.000 0.344 222 Y C -2.068 173.680 175.900 -0.254 0.000 1.097 222 Y CA -1.772 56.188 58.100 -0.234 0.000 1.307 222 Y CB 1.292 39.638 38.460 -0.189 0.000 1.102 222 Y HN -0.653 7.466 8.280 -0.226 0.025 0.520 223 K N 8.307 128.515 120.400 -0.319 0.000 2.419 223 K HA 0.097 4.398 4.320 -0.293 -0.156 0.282 223 K C -1.623 174.740 176.600 -0.396 0.000 1.056 223 K CA -1.335 54.762 56.287 -0.316 0.000 1.035 223 K CB 0.155 32.519 32.500 -0.227 0.000 0.921 223 K HN 0.015 8.119 8.250 -0.242 0.000 0.472 224 P HA 0.062 4.301 4.420 -0.303 0.000 0.272 224 P C -0.558 176.644 177.300 -0.162 0.000 1.230 224 P CA -0.851 62.105 63.100 -0.239 0.000 0.788 224 P CB 0.736 32.368 31.700 -0.113 0.000 0.949 225 D N -0.506 119.824 120.400 -0.117 0.000 2.178 225 D HA -0.182 4.420 4.640 -0.063 0.000 0.202 225 D C -0.131 176.179 176.300 0.017 0.000 0.974 225 D CA 2.592 56.563 54.000 -0.048 0.000 0.841 225 D CB 0.621 41.395 40.800 -0.042 0.000 0.953 225 D HN 0.101 8.393 8.370 -0.131 0.000 0.478 226 K N -2.687 117.735 120.400 0.037 0.000 2.557 226 K HA 0.210 4.516 4.320 -0.023 0.000 0.261 226 K C -2.587 174.048 176.600 0.058 0.000 0.932 226 K CA -0.916 55.386 56.287 0.026 0.000 0.829 226 K CB 3.282 35.840 32.500 0.096 0.000 1.358 226 K HN -0.768 7.480 8.250 0.040 0.026 0.430 227 V N 4.084 123.991 119.914 -0.011 0.000 2.540 227 V HA 0.661 5.151 4.120 0.288 -0.198 0.302 227 V C -0.691 175.419 176.094 0.028 0.000 1.035 227 V CA -1.278 61.105 62.300 0.137 0.000 0.873 227 V CB 1.749 33.662 31.823 0.150 0.000 0.992 227 V HN 0.175 8.312 8.190 -0.090 0.000 0.428 228 Y N 6.510 126.969 120.300 0.265 0.000 2.328 228 Y HA 0.173 4.808 4.550 0.141 0.000 0.336 228 Y C -1.707 174.298 175.900 0.175 0.000 0.960 228 Y CA -1.349 56.857 58.100 0.177 0.000 1.134 228 Y CB 2.861 41.391 38.460 0.117 0.000 1.166 228 Y HN 0.606 9.202 8.280 0.527 0.000 0.464 229 K N 4.736 125.240 120.400 0.174 0.000 2.240 229 K HA 0.513 4.815 4.320 -0.348 -0.190 0.271 229 K C -0.886 175.633 176.600 -0.134 0.000 1.018 229 K CA -1.202 54.984 56.287 -0.168 0.000 0.874 229 K CB 1.610 33.945 32.500 -0.275 0.000 1.098 229 K HN 0.244 8.595 8.250 0.168 0.000 0.458 230 V N 7.203 126.996 119.914 -0.201 0.000 2.432 230 V HA 0.103 4.167 4.120 -0.093 0.000 0.275 230 V C -1.253 174.727 176.094 -0.191 0.000 1.043 230 V CA -1.431 60.779 62.300 -0.149 0.000 0.925 230 V CB 1.194 32.933 31.823 -0.140 0.000 0.985 230 V HN 0.631 8.660 8.190 -0.269 0.000 0.466 231 E N 6.914 127.035 120.200 -0.131 0.000 2.338 231 E HA -0.047 4.210 4.350 -0.155 0.000 0.272 231 E C 0.466 177.005 176.600 -0.101 0.000 1.029 231 E CA -0.031 56.296 56.400 -0.122 0.000 0.872 231 E CB 0.522 30.173 29.700 -0.081 0.000 1.015 231 E HN 0.287 8.588 8.360 -0.099 0.000 0.417 232 G N 3.092 111.833 108.800 -0.098 0.000 2.598 232 G HA2 -0.320 3.603 3.960 -0.062 0.000 0.244 232 G HA3 -0.320 3.604 3.960 -0.060 0.000 0.244 232 G C -0.963 173.891 174.900 -0.077 0.000 1.302 232 G CA -0.346 44.710 45.100 -0.072 0.000 0.903 232 G HN 0.144 8.368 8.290 -0.109 0.000 0.575 233 G N 0.120 108.885 108.800 -0.058 0.000 2.601 233 G HA2 -0.360 3.572 3.960 -0.047 0.000 0.252 233 G HA3 -0.360 3.556 3.960 -0.074 0.000 0.252 233 G C -1.442 173.427 174.900 -0.051 0.000 1.294 233 G CA 0.378 45.443 45.100 -0.058 0.000 0.912 233 G HN -0.128 8.133 8.290 -0.048 0.000 0.574 234 D N -1.757 118.608 120.400 -0.059 0.000 2.895 234 D HA 0.227 4.854 4.640 -0.022 0.000 0.320 234 D C -0.951 175.317 176.300 -0.054 0.000 1.249 234 D CA -1.841 52.135 54.000 -0.039 0.000 0.997 234 D CB 1.521 42.304 40.800 -0.027 0.000 1.430 234 D HN -0.592 7.732 8.370 -0.076 0.000 0.558 235 H N -1.388 117.587 119.070 -0.157 0.000 2.387 235 H HA -0.289 4.296 4.556 -0.178 -0.136 0.299 235 H C 1.183 176.363 175.328 -0.248 0.000 1.099 235 H CA 3.113 59.032 56.048 -0.214 0.000 1.315 235 H CB 0.446 30.044 29.762 -0.273 0.000 1.380 235 H HN 0.255 8.563 8.280 0.047 0.000 0.513 236 K N 0.566 120.777 120.400 -0.314 0.000 2.518 236 K HA 0.133 4.298 4.320 -0.427 -0.101 0.244 236 K C -0.401 176.089 176.600 -0.184 0.000 1.232 236 K CA -1.980 54.094 56.287 -0.355 0.000 1.189 236 K CB -2.134 30.087 32.500 -0.466 0.000 1.737 236 K HN -0.558 7.686 8.250 -0.224 -0.129 0.333 237 L N 0.612 121.743 121.223 -0.154 0.000 2.187 237 L HA -0.364 3.902 4.340 -0.125 0.000 0.213 237 L C 1.569 178.443 176.870 0.007 0.000 1.100 237 L CA 2.739 57.502 54.840 -0.130 0.000 0.765 237 L CB -0.077 41.788 42.059 -0.323 0.000 0.904 237 L HN -0.617 7.431 8.230 -0.213 0.054 0.437 238 Q N -3.374 116.495 119.800 0.113 0.000 2.488 238 Q HA -0.232 4.185 4.340 0.129 0.000 0.211 238 Q C -0.335 175.639 176.000 -0.042 0.000 0.967 238 Q CA 2.049 57.889 55.803 0.062 0.000 0.926 238 Q CB -1.227 27.490 28.738 -0.035 0.000 0.992 238 Q HN 0.188 8.523 8.270 0.162 0.031 0.506 239 L N -4.635 116.549 121.223 -0.065 0.000 2.362 239 L HA 0.348 4.655 4.340 -0.056 0.000 0.204 239 L C 2.144 179.000 176.870 -0.023 0.000 1.060 239 L CA 1.181 55.996 54.840 -0.041 0.000 0.827 239 L CB 1.523 43.587 42.059 0.009 0.000 1.027 239 L HN -0.212 7.802 8.230 -0.079 0.168 0.474 240 T N -5.158 109.376 114.554 -0.033 0.000 3.051 240 T HA -0.022 4.321 4.350 -0.011 0.000 0.255 240 T C 0.660 175.340 174.700 -0.034 0.000 1.085 240 T CA 1.848 63.932 62.100 -0.026 0.000 1.109 240 T CB 0.582 69.430 68.868 -0.033 0.000 0.921 240 T HN -0.222 7.989 8.240 -0.050 0.000 0.488 241 K N 1.619 121.994 120.400 -0.042 0.000 3.165 241 K HA 0.495 4.874 4.320 -0.039 -0.082 0.206 241 K C -0.547 176.034 176.600 -0.033 0.000 1.123 241 K CA -1.428 54.832 56.287 -0.044 0.000 0.978 241 K CB 0.198 32.658 32.500 -0.068 0.000 0.749 241 K HN -0.344 7.781 8.250 -0.042 0.100 0.454 242 T N 3.594 118.134 114.554 -0.024 0.000 2.684 242 T HA -0.378 3.973 4.350 0.002 0.000 0.267 242 T C 1.580 176.265 174.700 -0.024 0.000 1.036 242 T CA 4.882 66.972 62.100 -0.016 0.000 1.148 242 T CB -0.129 68.723 68.868 -0.027 0.000 0.863 242 T HN 0.382 8.607 8.240 -0.026 0.000 0.436 243 K N 0.049 120.434 120.400 -0.026 0.000 2.057 243 K HA -0.307 3.998 4.320 -0.024 0.000 0.207 243 K C 2.214 178.793 176.600 -0.035 0.000 1.049 243 K CA 3.693 59.965 56.287 -0.026 0.000 0.931 243 K CB -0.340 32.149 32.500 -0.018 0.000 0.714 243 K HN 0.036 8.271 8.250 -0.024 0.000 0.440 244 E N -1.368 118.808 120.200 -0.040 0.000 2.077 244 E HA -0.253 4.069 4.350 -0.047 0.000 0.193 244 E C 2.552 179.104 176.600 -0.079 0.000 0.989 244 E CA 3.326 59.694 56.400 -0.054 0.000 0.800 244 E CB -0.868 28.799 29.700 -0.055 0.000 0.746 244 E HN -0.154 8.184 8.360 -0.037 0.000 0.452 245 I N -0.777 119.752 120.570 -0.067 0.000 2.226 245 I HA -0.410 3.700 4.170 -0.100 0.000 0.245 245 I C 1.981 178.027 176.117 -0.119 0.000 1.100 245 I CA 2.368 63.625 61.300 -0.073 0.000 1.374 245 I CB -1.300 36.714 38.000 0.023 0.000 1.057 245 I HN -0.165 8.015 8.210 -0.050 0.000 0.413 246 A N -0.661 122.099 122.820 -0.100 0.000 1.933 246 A HA -0.382 3.821 4.320 -0.195 0.000 0.218 246 A C 2.164 179.691 177.584 -0.096 0.000 1.175 246 A CA 3.507 55.471 52.037 -0.122 0.000 0.628 246 A CB -0.984 17.976 19.000 -0.066 0.000 0.814 246 A HN -0.029 8.078 8.150 -0.071 0.000 0.444 247 E N -1.053 119.105 120.200 -0.070 0.000 2.077 247 E HA -0.363 3.980 4.350 -0.012 0.000 0.193 247 E C 2.599 179.142 176.600 -0.096 0.000 0.989 247 E CA 2.869 59.240 56.400 -0.048 0.000 0.800 247 E CB -0.109 29.570 29.700 -0.034 0.000 0.746 247 E HN -0.529 7.791 8.360 -0.067 0.000 0.452 248 I N 0.316 120.767 120.570 -0.198 0.000 2.179 248 I HA -0.513 3.381 4.170 -0.460 0.000 0.242 248 I C 1.730 177.693 176.117 -0.257 0.000 1.088 248 I CA 4.451 65.514 61.300 -0.394 0.000 1.357 248 I CB -0.015 37.636 38.000 -0.582 0.000 1.051 248 I HN -0.479 7.621 8.210 -0.183 0.000 0.409 249 L N -1.800 119.298 121.223 -0.207 0.000 2.083 249 L HA -0.483 3.812 4.340 -0.074 0.000 0.209 249 L C 2.174 179.057 176.870 0.023 0.000 1.083 249 L CA 3.042 57.779 54.840 -0.172 0.000 0.752 249 L CB -0.744 40.968 42.059 -0.578 0.000 0.899 249 L HN -0.158 7.937 8.230 -0.225 0.000 0.433 250 Q N -0.670 119.146 119.800 0.027 0.000 2.096 250 Q HA -0.429 4.076 4.340 0.274 0.000 0.204 250 Q C 1.760 177.848 176.000 0.148 0.000 0.982 250 Q CA 3.013 58.920 55.803 0.175 0.000 0.850 250 Q CB -0.635 28.213 28.738 0.185 0.000 0.901 250 Q HN -0.076 8.173 8.270 -0.034 0.000 0.422 251 E N -0.388 119.863 120.200 0.085 0.000 2.077 251 E HA -0.326 4.083 4.350 0.099 0.000 0.193 251 E C 2.346 179.034 176.600 0.146 0.000 0.989 251 E CA 2.909 59.373 56.400 0.106 0.000 0.800 251 E CB -0.095 29.679 29.700 0.122 0.000 0.746 251 E HN -0.715 7.667 8.360 0.037 0.000 0.452 252 V N -0.031 119.992 119.914 0.182 0.000 2.343 252 V HA -0.488 3.853 4.120 0.368 0.000 0.247 252 V C 1.937 178.177 176.094 0.243 0.000 1.051 252 V CA 4.037 66.513 62.300 0.294 0.000 1.036 252 V CB -0.838 31.167 31.823 0.304 0.000 0.654 252 V HN -0.179 8.086 8.190 0.126 0.000 0.451 253 A N -1.560 121.385 122.820 0.209 0.000 1.978 253 A HA -0.233 4.127 4.320 0.066 0.000 0.220 253 A C 0.920 178.559 177.584 0.093 0.000 1.170 253 A CA 2.507 54.621 52.037 0.128 0.000 0.636 253 A CB -0.277 18.825 19.000 0.170 0.000 0.810 253 A HN -0.246 8.052 8.150 0.247 0.000 0.448 254 D N -3.993 116.458 120.400 0.085 0.000 2.355 254 D HA 0.002 4.651 4.640 0.016 0.000 0.218 254 D C 0.866 177.141 176.300 -0.042 0.000 1.004 254 D CA 1.809 55.824 54.000 0.025 0.000 0.880 254 D CB 0.175 40.995 40.800 0.032 0.000 0.911 254 D HN -0.432 7.892 8.370 0.113 0.113 0.528 255 T N -0.154 114.346 114.554 -0.090 0.000 3.038 255 T HA 0.029 4.213 4.350 -0.277 0.000 0.244 255 T C -0.183 174.231 174.700 -0.477 0.000 1.016 255 T CA 1.704 63.601 62.100 -0.339 0.000 1.098 255 T CB 2.315 70.863 68.868 -0.534 0.000 0.954 255 T HN -0.551 7.494 8.240 -0.018 0.185 0.469 256 Y N 0.330 120.651 120.300 0.034 0.000 2.350 256 Y HA 0.062 4.623 4.550 0.017 0.000 0.338 256 Y C -2.116 173.784 175.900 -0.001 0.000 0.961 256 Y CA -0.680 57.431 58.100 0.019 0.000 1.100 256 Y CB 1.468 39.946 38.460 0.029 0.000 1.179 256 Y HN -0.342 7.957 8.280 0.032 0.000 0.454 257 N N 0.000 118.777 118.700 0.128 0.000 1.763 257 N HA 0.000 4.773 4.740 0.056 0.000 0.220 257 N CA 0.000 53.088 53.050 0.064 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 0.129 0.000 0.667