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 1esn_1_D DATA FIRST_RESID 8 DATA SEQUENCE LXTPYLQFDR NQWAALRDSV PXTLSEDEIA RLKGINEDLS LEEVAEIYLP DATA SEQUENCE LSRLLNFYIS SNLRRQAVLE QFLGTNGQRI PYIISIAGSV AVGKSTTARV DATA SEQUENCE LQALLSRWPE HRRVELITTD GFLHPNQVLK ERGLXKKKGF PESYDXHRLV DATA SEQUENCE KFVSDLKSGV PNVTAPVYSH LIYDVIPDGD KTVVQPDILI LEGLNVLQSG DATA SEQUENCE XDYPHDPHHV FVSDFVDFSI YVDAPEDLLQ TWYINRFLKF REGAFTDPDS DATA SEQUENCE YFHNYAKLTK EEAIKTAXTL WKEINWLNLK QNILPTRERA SLILTKSANH DATA SEQUENCE AVEEVRLRK 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.864 176.870 -0.010 0.000 1.165 8 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 8 L CB 0.000 42.053 42.059 -0.010 0.000 0.961 11 P HA 0.209 nan 4.420 nan 0.000 0.244 11 P C -0.787 176.345 177.300 -0.280 0.000 1.211 11 P CA 0.599 63.598 63.100 -0.168 0.000 0.760 11 P CB -0.459 31.090 31.700 -0.253 0.000 0.961 12 Y N -1.369 118.911 120.300 -0.033 0.000 2.446 12 Y HA 0.410 4.960 4.550 0.000 0.000 0.345 12 Y C 0.260 176.129 175.900 -0.052 0.000 0.984 12 Y CA -1.491 56.593 58.100 -0.027 0.000 1.058 12 Y CB 1.221 39.661 38.460 -0.033 0.000 1.220 12 Y HN -0.332 nan 8.280 nan 0.000 0.455 13 L N 3.136 124.440 121.223 0.135 0.000 2.305 13 L HA 0.297 4.637 4.340 0.000 0.000 0.281 13 L C -0.231 176.524 176.870 -0.193 0.000 1.085 13 L CA 0.017 54.813 54.840 -0.074 0.000 0.813 13 L CB 0.889 42.918 42.059 -0.050 0.000 1.157 13 L HN 0.572 nan 8.230 nan 0.000 0.436 14 Q N 3.159 122.752 119.800 -0.346 0.000 2.274 14 Q HA 0.496 4.836 4.340 0.000 0.000 0.260 14 Q C -1.764 173.939 176.000 -0.495 0.000 0.974 14 Q CA -0.501 55.132 55.803 -0.283 0.000 0.876 14 Q CB 1.545 30.206 28.738 -0.128 0.000 1.297 14 Q HN 0.486 nan 8.270 nan 0.000 0.446 15 F N 1.895 121.914 119.950 0.115 0.000 2.557 15 F HA 0.175 4.702 4.527 0.000 0.000 0.316 15 F C -0.058 175.805 175.800 0.105 0.000 1.141 15 F CA -1.094 57.005 58.000 0.165 0.000 0.922 15 F CB 1.542 40.747 39.000 0.343 0.000 1.194 15 F HN 0.531 nan 8.300 nan 0.000 0.443 16 D N 1.284 121.853 120.400 0.282 0.000 2.423 16 D HA 0.241 4.881 4.640 0.000 0.000 0.255 16 D C 1.337 177.755 176.300 0.196 0.000 1.174 16 D CA -0.641 53.461 54.000 0.169 0.000 1.008 16 D CB 0.768 41.638 40.800 0.116 0.000 1.101 16 D HN 0.236 nan 8.370 nan 0.000 0.516 17 R N 0.120 120.693 120.500 0.123 0.000 2.113 17 R HA -0.193 4.147 4.340 0.000 0.000 0.244 17 R C 1.452 177.857 176.300 0.174 0.000 1.142 17 R CA 1.431 57.604 56.100 0.122 0.000 0.953 17 R CB -0.836 29.509 30.300 0.075 0.000 0.860 17 R HN 0.565 nan 8.270 nan 0.000 0.438 18 N N 1.022 119.807 118.700 0.142 0.000 2.000 18 N HA -0.219 4.521 4.740 0.000 0.000 0.198 18 N C 1.837 177.437 175.510 0.151 0.000 1.057 18 N CA 1.861 54.987 53.050 0.127 0.000 0.858 18 N CB -0.562 37.985 38.487 0.100 0.000 1.057 18 N HN 0.416 nan 8.380 nan 0.000 0.423 19 Q N -0.341 119.576 119.800 0.195 0.000 2.217 19 Q HA -0.188 4.153 4.340 0.000 0.000 0.209 19 Q C 2.014 178.101 176.000 0.144 0.000 0.988 19 Q CA 1.173 57.104 55.803 0.213 0.000 0.878 19 Q CB -0.211 28.754 28.738 0.378 0.000 0.909 19 Q HN 0.572 nan 8.270 nan 0.000 0.424 20 W N 0.960 122.252 121.300 -0.012 0.000 2.381 20 W HA -0.059 4.601 4.660 0.000 0.000 0.321 20 W C 1.921 178.386 176.519 -0.090 0.000 1.196 20 W CA 1.470 58.731 57.345 -0.139 0.000 1.304 20 W CB -0.263 29.142 29.460 -0.091 0.000 1.166 20 W HN 0.134 nan 8.180 nan 0.000 0.473 21 A N 0.508 123.434 122.820 0.176 0.000 2.277 21 A HA 0.119 4.439 4.320 0.000 0.000 0.208 21 A C 1.751 179.322 177.584 -0.022 0.000 1.202 21 A CA 1.702 53.781 52.037 0.070 0.000 0.762 21 A CB -0.882 18.190 19.000 0.119 0.000 0.770 21 A HN 0.309 nan 8.150 nan 0.000 0.487 22 A N -0.444 122.340 122.820 -0.060 0.000 1.942 22 A HA 0.304 4.624 4.320 0.000 0.000 0.209 22 A C 1.465 178.977 177.584 -0.120 0.000 1.214 22 A CA 0.571 52.574 52.037 -0.056 0.000 0.686 22 A CB -0.303 18.691 19.000 -0.010 0.000 0.871 22 A HN 0.494 nan 8.150 nan 0.000 0.460 23 L N 0.953 122.036 121.223 -0.234 0.000 2.737 23 L HA 0.080 4.420 4.340 0.000 0.000 0.246 23 L C 2.001 178.720 176.870 -0.252 0.000 1.153 23 L CA 0.761 55.441 54.840 -0.266 0.000 0.920 23 L CB -0.632 41.174 42.059 -0.422 0.000 1.090 23 L HN 0.513 nan 8.230 nan 0.000 0.430 24 R N -1.494 118.886 120.500 -0.201 0.000 2.210 24 R HA 0.044 4.384 4.340 0.000 0.000 0.203 24 R C 0.709 176.975 176.300 -0.056 0.000 1.010 24 R CA 0.600 56.620 56.100 -0.133 0.000 1.008 24 R CB -0.309 29.928 30.300 -0.105 0.000 0.923 24 R HN 0.177 nan 8.270 nan 0.000 0.469 25 D N 1.108 121.480 120.400 -0.047 0.000 2.347 25 D HA -0.008 4.632 4.640 0.000 0.000 0.215 25 D C 1.337 177.632 176.300 -0.008 0.000 0.976 25 D CA 0.918 54.905 54.000 -0.021 0.000 0.884 25 D CB 0.232 41.022 40.800 -0.018 0.000 0.915 25 D HN 0.180 nan 8.370 nan 0.000 0.526 26 S N -0.183 115.513 115.700 -0.005 0.000 2.400 26 S HA -0.153 4.317 4.470 0.000 0.000 0.234 26 S C 1.037 175.655 174.600 0.030 0.000 1.049 26 S CA 0.689 58.899 58.200 0.016 0.000 1.039 26 S CB -0.136 63.086 63.200 0.038 0.000 0.856 26 S HN 0.275 nan 8.310 nan 0.000 0.465 27 V N 2.620 122.553 119.914 0.033 0.000 2.735 27 V HA 0.484 4.604 4.120 0.000 0.000 0.310 27 V C -2.396 173.702 176.094 0.006 0.000 1.061 27 V CA -2.554 59.762 62.300 0.026 0.000 0.913 27 V CB 1.709 33.559 31.823 0.045 0.000 1.005 27 V HN 0.024 nan 8.190 nan 0.000 0.428 31 L N 1.763 122.966 121.223 -0.032 0.000 2.287 31 L HA 0.911 5.251 4.340 0.000 0.000 0.287 31 L C 0.376 177.233 176.870 -0.022 0.000 1.022 31 L CA -0.377 54.444 54.840 -0.032 0.000 0.814 31 L CB 1.305 43.359 42.059 -0.009 0.000 1.217 31 L HN 0.402 nan 8.230 nan 0.000 0.420 32 S N 0.870 116.553 115.700 -0.029 0.000 2.730 32 S HA 0.297 4.767 4.470 0.000 0.000 0.284 32 S C 0.722 175.314 174.600 -0.014 0.000 1.153 32 S CA -0.388 57.800 58.200 -0.020 0.000 0.995 32 S CB 1.429 64.614 63.200 -0.025 0.000 1.058 32 S HN 0.866 nan 8.310 nan 0.000 0.552 33 E N 1.105 121.299 120.200 -0.011 0.000 2.169 33 E HA -0.425 3.925 4.350 0.000 0.000 0.225 33 E C 0.760 177.354 176.600 -0.009 0.000 0.849 33 E CA 2.208 58.603 56.400 -0.008 0.000 0.907 33 E CB -0.606 29.089 29.700 -0.009 0.000 0.905 33 E HN 0.612 nan 8.360 nan 0.000 0.558 34 D N 0.801 121.195 120.400 -0.010 0.000 2.559 34 D HA -0.325 4.315 4.640 0.000 0.000 0.538 34 D C 1.849 178.144 176.300 -0.009 0.000 0.913 34 D CA 2.780 56.774 54.000 -0.010 0.000 1.524 34 D CB -0.949 39.844 40.800 -0.012 0.000 0.811 34 D HN 0.651 nan 8.370 nan 0.000 0.420 35 E N 1.014 121.208 120.200 -0.010 0.000 2.021 35 E HA -0.213 4.137 4.350 0.000 0.000 0.200 35 E C 2.496 179.094 176.600 -0.004 0.000 1.015 35 E CA 1.406 57.802 56.400 -0.006 0.000 0.824 35 E CB -0.734 28.962 29.700 -0.006 0.000 0.762 35 E HN 0.406 nan 8.360 nan 0.000 0.454 36 I N 2.207 122.776 120.570 -0.001 0.000 2.237 36 I HA -0.416 3.754 4.170 0.000 0.000 0.245 36 I C 2.741 178.857 176.117 -0.003 0.000 1.013 36 I CA 2.134 63.435 61.300 0.002 0.000 1.298 36 I CB -1.260 36.740 38.000 0.001 0.000 0.995 36 I HN 0.303 nan 8.210 nan 0.000 0.422 37 A N 0.271 123.088 122.820 -0.006 0.000 1.873 37 A HA -0.232 4.089 4.320 0.000 0.000 0.215 37 A C 2.476 180.054 177.584 -0.011 0.000 1.186 37 A CA 1.817 53.849 52.037 -0.008 0.000 0.616 37 A CB -0.703 18.292 19.000 -0.008 0.000 0.823 37 A HN 0.383 nan 8.150 nan 0.000 0.442 38 R N -0.715 119.779 120.500 -0.010 0.000 2.115 38 R HA -0.219 4.121 4.340 0.000 0.000 0.239 38 R C 2.014 178.304 176.300 -0.018 0.000 1.133 38 R CA 2.155 58.248 56.100 -0.012 0.000 0.935 38 R CB -0.572 29.723 30.300 -0.008 0.000 0.853 38 R HN 0.454 nan 8.270 nan 0.000 0.433 39 L N 1.123 122.337 121.223 -0.016 0.000 2.012 39 L HA -0.218 4.123 4.340 0.000 0.000 0.210 39 L C 2.678 179.532 176.870 -0.028 0.000 1.073 39 L CA 1.788 56.614 54.840 -0.024 0.000 0.748 39 L CB -0.570 41.483 42.059 -0.010 0.000 0.891 39 L HN 0.174 nan 8.230 nan 0.000 0.431 40 K N 0.026 120.416 120.400 -0.018 0.000 2.152 40 K HA -0.181 4.140 4.320 0.000 0.000 0.206 40 K C 1.980 178.564 176.600 -0.026 0.000 1.048 40 K CA 1.574 57.850 56.287 -0.018 0.000 0.933 40 K CB -0.419 32.074 32.500 -0.011 0.000 0.721 40 K HN 0.446 nan 8.250 nan 0.000 0.447 41 G N 1.201 109.986 108.800 -0.025 0.000 2.403 41 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 41 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 41 G C 1.609 176.486 174.900 -0.037 0.000 1.154 41 G CA 0.532 45.616 45.100 -0.028 0.000 0.784 41 G HN 0.259 nan 8.290 nan 0.000 0.538 42 I N 0.095 120.638 120.570 -0.044 0.000 2.179 42 I HA -0.113 4.057 4.170 0.000 0.000 0.242 42 I C 2.370 178.445 176.117 -0.071 0.000 1.088 42 I CA 1.710 62.975 61.300 -0.058 0.000 1.357 42 I CB -0.117 37.842 38.000 -0.068 0.000 1.051 42 I HN 0.250 nan 8.210 nan 0.000 0.409 43 N N -0.782 117.874 118.700 -0.073 0.000 2.529 43 N HA -0.086 4.654 4.740 0.000 0.000 0.231 43 N C 1.107 176.576 175.510 -0.068 0.000 1.072 43 N CA 0.748 53.746 53.050 -0.086 0.000 0.854 43 N CB 0.541 38.960 38.487 -0.113 0.000 1.465 43 N HN 0.306 nan 8.380 nan 0.000 0.452 44 E N -0.922 119.248 120.200 -0.050 0.000 3.991 44 E HA -0.323 4.027 4.350 0.000 0.000 0.331 44 E C -0.422 176.157 176.600 -0.035 0.000 0.628 44 E CA 1.995 58.374 56.400 -0.036 0.000 1.192 44 E CB -1.655 28.025 29.700 -0.033 0.000 1.683 44 E HN 0.336 nan 8.360 nan 0.000 0.416 45 D N 0.006 120.374 120.400 -0.054 0.000 2.369 45 D HA 0.188 4.828 4.640 0.000 0.000 0.211 45 D C -0.148 176.129 176.300 -0.038 0.000 1.077 45 D CA 0.037 54.005 54.000 -0.053 0.000 0.842 45 D CB 0.398 41.141 40.800 -0.095 0.000 0.947 45 D HN 0.256 nan 8.370 nan 0.000 0.509 46 L N 1.675 122.877 121.223 -0.034 0.000 2.278 46 L HA 0.300 4.640 4.340 0.000 0.000 0.287 46 L C 0.247 177.136 176.870 0.031 0.000 1.072 46 L CA -0.620 54.221 54.840 0.002 0.000 0.819 46 L CB 0.585 42.627 42.059 -0.028 0.000 1.176 46 L HN -0.105 nan 8.230 nan 0.000 0.435 47 S N 4.375 120.110 115.700 0.060 0.000 2.592 47 S HA 0.251 4.721 4.470 0.000 0.000 0.271 47 S C 1.121 175.765 174.600 0.074 0.000 1.326 47 S CA -0.537 57.698 58.200 0.058 0.000 1.024 47 S CB 0.861 64.098 63.200 0.061 0.000 0.921 47 S HN 0.623 nan 8.310 nan 0.000 0.527 48 L N 1.632 122.890 121.223 0.058 0.000 2.217 48 L HA 0.092 4.433 4.340 0.000 0.000 0.211 48 L C 2.475 179.390 176.870 0.074 0.000 1.107 48 L CA 1.264 56.141 54.840 0.063 0.000 0.783 48 L CB -0.886 41.198 42.059 0.042 0.000 0.919 48 L HN 0.655 nan 8.230 nan 0.000 0.442 49 E N -0.079 120.160 120.200 0.065 0.000 2.031 49 E HA -0.252 4.098 4.350 0.000 0.000 0.193 49 E C 2.153 178.801 176.600 0.080 0.000 0.994 49 E CA 1.188 57.626 56.400 0.063 0.000 0.800 49 E CB -0.154 29.579 29.700 0.054 0.000 0.752 49 E HN 0.387 nan 8.360 nan 0.000 0.447 50 E N 0.204 120.462 120.200 0.096 0.000 2.118 50 E HA -0.154 4.196 4.350 0.000 0.000 0.195 50 E C 1.846 178.540 176.600 0.156 0.000 0.992 50 E CA 1.118 57.584 56.400 0.110 0.000 0.804 50 E CB -0.094 29.700 29.700 0.158 0.000 0.741 50 E HN 0.111 nan 8.360 nan 0.000 0.458 51 V N 0.802 120.850 119.914 0.222 0.000 2.261 51 V HA -0.253 3.867 4.120 0.000 0.000 0.246 51 V C 2.421 178.634 176.094 0.198 0.000 1.047 51 V CA 1.956 64.434 62.300 0.297 0.000 1.015 51 V CB -1.148 30.796 31.823 0.200 0.000 0.642 51 V HN 0.456 nan 8.190 nan 0.000 0.446 52 A N -0.620 122.277 122.820 0.128 0.000 1.902 52 A HA -0.222 4.098 4.320 0.000 0.000 0.217 52 A C 2.212 179.850 177.584 0.090 0.000 1.181 52 A CA 1.845 53.939 52.037 0.096 0.000 0.623 52 A CB -0.453 18.586 19.000 0.065 0.000 0.818 52 A HN 0.616 nan 8.150 nan 0.000 0.443 53 E N -1.086 119.166 120.200 0.087 0.000 2.158 53 E HA -0.051 4.300 4.350 0.000 0.000 0.191 53 E C 1.436 178.134 176.600 0.163 0.000 0.982 53 E CA 0.776 57.234 56.400 0.096 0.000 0.823 53 E CB 0.023 29.772 29.700 0.082 0.000 0.766 53 E HN 0.559 nan 8.360 nan 0.000 0.468 54 I N -1.125 119.489 120.570 0.073 0.000 3.534 54 I HA -0.064 4.106 4.170 0.000 0.000 0.251 54 I C 1.818 177.931 176.117 -0.006 0.000 1.136 54 I CA 0.602 61.897 61.300 -0.010 0.000 1.475 54 I CB -0.987 36.728 38.000 -0.474 0.000 1.526 54 I HN 0.075 nan 8.210 nan 0.000 0.454 55 Y N 1.205 121.622 120.300 0.195 0.000 2.242 55 Y HA -0.091 4.459 4.550 0.000 0.000 0.291 55 Y C 2.614 178.623 175.900 0.181 0.000 1.137 55 Y CA 0.899 59.100 58.100 0.168 0.000 1.181 55 Y CB -0.344 38.180 38.460 0.106 0.000 0.989 55 Y HN 0.031 nan 8.280 nan 0.000 0.527 56 L N 0.064 121.454 121.223 0.278 0.000 1.994 56 L HA -0.170 4.171 4.340 0.000 0.000 0.208 56 L C -0.530 176.461 176.870 0.202 0.000 1.071 56 L CA 1.532 56.505 54.840 0.222 0.000 0.745 56 L CB -1.290 40.860 42.059 0.152 0.000 0.892 56 L HN 0.162 nan 8.230 nan 0.000 0.431 57 P HA -0.205 nan 4.420 nan 0.000 0.218 57 P C 1.883 179.272 177.300 0.148 0.000 1.149 57 P CA 1.318 64.440 63.100 0.036 0.000 0.817 57 P CB 0.013 31.585 31.700 -0.213 0.000 0.785 58 L N 0.038 121.484 121.223 0.372 0.000 2.012 58 L HA -0.189 4.151 4.340 0.000 0.000 0.210 58 L C 2.433 179.411 176.870 0.180 0.000 1.073 58 L CA 2.538 57.629 54.840 0.418 0.000 0.748 58 L CB -0.812 41.464 42.059 0.362 0.000 0.891 58 L HN 0.123 nan 8.230 nan 0.000 0.431 59 S N -0.873 114.916 115.700 0.149 0.000 2.382 59 S HA -0.221 4.249 4.470 0.000 0.000 0.228 59 S C 2.154 176.628 174.600 -0.210 0.000 1.027 59 S CA 0.606 58.816 58.200 0.017 0.000 0.991 59 S CB -0.459 62.851 63.200 0.183 0.000 0.823 59 S HN 0.380 nan 8.310 nan 0.000 0.469 60 R N 0.478 120.939 120.500 -0.065 0.000 2.081 60 R HA 0.017 4.357 4.340 0.000 0.000 0.235 60 R C 2.323 178.395 176.300 -0.380 0.000 1.131 60 R CA 1.352 57.299 56.100 -0.255 0.000 0.960 60 R CB -1.113 29.183 30.300 -0.008 0.000 0.856 60 R HN 0.529 nan 8.270 nan 0.000 0.436 61 L N 1.378 122.584 121.223 -0.028 0.000 1.956 61 L HA -0.203 4.137 4.340 0.000 0.000 0.216 61 L C 2.290 179.251 176.870 0.151 0.000 1.073 61 L CA 1.748 56.725 54.840 0.229 0.000 0.762 61 L CB -0.870 41.367 42.059 0.295 0.000 0.889 61 L HN 0.140 nan 8.230 nan 0.000 0.433 62 L N -0.153 121.016 121.223 -0.090 0.000 2.021 62 L HA -0.325 4.015 4.340 0.000 0.000 0.215 62 L C 2.419 179.113 176.870 -0.292 0.000 1.074 62 L CA 2.008 56.682 54.840 -0.276 0.000 0.760 62 L CB -0.934 40.887 42.059 -0.398 0.000 0.889 62 L HN 0.582 nan 8.230 nan 0.000 0.433 63 N N 0.075 118.457 118.700 -0.529 0.000 2.094 63 N HA -0.259 4.481 4.740 0.000 0.000 0.191 63 N C 1.810 177.088 175.510 -0.387 0.000 1.023 63 N CA 1.669 54.322 53.050 -0.662 0.000 0.857 63 N CB -0.356 37.340 38.487 -1.319 0.000 1.013 63 N HN 0.243 nan 8.380 nan 0.000 0.426 64 F N -0.962 118.880 119.950 -0.180 0.000 2.120 64 F HA -0.210 4.317 4.527 0.000 0.000 0.300 64 F C 1.699 177.417 175.800 -0.138 0.000 1.095 64 F CA 1.052 58.968 58.000 -0.141 0.000 1.249 64 F CB -0.369 38.546 39.000 -0.140 0.000 0.995 64 F HN 0.126 nan 8.300 nan 0.000 0.480 65 Y N -0.051 120.276 120.300 0.045 0.000 2.200 65 Y HA -0.173 4.377 4.550 0.000 0.000 0.290 65 Y C 2.279 178.088 175.900 -0.151 0.000 1.137 65 Y CA 1.335 59.455 58.100 0.032 0.000 1.163 65 Y CB -0.557 37.971 38.460 0.113 0.000 0.988 65 Y HN -0.035 nan 8.280 nan 0.000 0.518 66 I N -0.566 119.840 120.570 -0.274 0.000 2.142 66 I HA -0.323 3.847 4.170 0.000 0.000 0.240 66 I C 2.441 178.414 176.117 -0.240 0.000 1.078 66 I CA 1.711 62.634 61.300 -0.628 0.000 1.343 66 I CB -0.648 36.896 38.000 -0.760 0.000 1.046 66 I HN 0.169 nan 8.210 nan 0.000 0.405 67 S N -0.366 115.262 115.700 -0.121 0.000 2.382 67 S HA -0.207 4.263 4.470 0.000 0.000 0.228 67 S C 2.120 176.717 174.600 -0.006 0.000 1.027 67 S CA 1.415 59.592 58.200 -0.039 0.000 0.991 67 S CB -0.748 62.433 63.200 -0.031 0.000 0.823 67 S HN 0.419 nan 8.310 nan 0.000 0.469 68 S N 2.050 117.753 115.700 0.006 0.000 2.383 68 S HA -0.183 4.288 4.470 0.000 0.000 0.229 68 S C 1.955 176.574 174.600 0.032 0.000 1.030 68 S CA 1.344 59.555 58.200 0.018 0.000 1.002 68 S CB -0.838 62.363 63.200 0.002 0.000 0.829 68 S HN 0.657 nan 8.310 nan 0.000 0.467 69 N N 0.351 119.075 118.700 0.040 0.000 2.058 69 N HA -0.069 4.671 4.740 0.000 0.000 0.191 69 N C 1.823 177.369 175.510 0.060 0.000 1.037 69 N CA 1.642 54.740 53.050 0.080 0.000 0.848 69 N CB -0.227 38.335 38.487 0.125 0.000 1.021 69 N HN 0.398 nan 8.380 nan 0.000 0.422 70 L N 1.006 122.249 121.223 0.033 0.000 2.042 70 L HA -0.167 4.173 4.340 0.000 0.000 0.210 70 L C 2.529 179.422 176.870 0.038 0.000 1.076 70 L CA 1.207 56.070 54.840 0.039 0.000 0.749 70 L CB -0.459 41.618 42.059 0.030 0.000 0.893 70 L HN 0.113 nan 8.230 nan 0.000 0.432 71 R N -0.456 120.062 120.500 0.030 0.000 2.105 71 R HA -0.155 4.185 4.340 0.000 0.000 0.239 71 R C 2.517 178.835 176.300 0.029 0.000 1.135 71 R CA 1.198 57.314 56.100 0.027 0.000 0.967 71 R CB -0.364 29.948 30.300 0.021 0.000 0.861 71 R HN 0.311 nan 8.270 nan 0.000 0.442 72 R N 0.492 121.013 120.500 0.034 0.000 2.070 72 R HA -0.130 4.210 4.340 0.000 0.000 0.233 72 R C 2.248 178.573 176.300 0.042 0.000 1.137 72 R CA 1.357 57.477 56.100 0.033 0.000 0.945 72 R CB -0.094 30.232 30.300 0.043 0.000 0.845 72 R HN 0.199 nan 8.270 nan 0.000 0.430 73 Q N 0.194 120.026 119.800 0.053 0.000 2.047 73 Q HA -0.218 4.122 4.340 0.000 0.000 0.211 73 Q C 2.054 178.087 176.000 0.055 0.000 1.005 73 Q CA 2.093 57.931 55.803 0.058 0.000 0.866 73 Q CB -0.815 27.960 28.738 0.062 0.000 0.938 73 Q HN 0.381 nan 8.270 nan 0.000 0.414 74 A N 0.403 123.252 122.820 0.048 0.000 1.859 74 A HA -0.235 4.085 4.320 0.000 0.000 0.218 74 A C 2.449 180.066 177.584 0.054 0.000 1.209 74 A CA 2.515 54.580 52.037 0.047 0.000 0.639 74 A CB -1.195 17.828 19.000 0.038 0.000 0.835 74 A HN 0.231 nan 8.150 nan 0.000 0.450 75 V N -0.121 119.820 119.914 0.046 0.000 2.277 75 V HA -0.345 3.775 4.120 0.000 0.000 0.253 75 V C 2.574 178.717 176.094 0.082 0.000 1.067 75 V CA 2.449 64.777 62.300 0.047 0.000 1.047 75 V CB -0.962 30.870 31.823 0.015 0.000 0.649 75 V HN 0.556 nan 8.190 nan 0.000 0.447 76 L N -0.808 120.463 121.223 0.079 0.000 2.131 76 L HA -0.075 4.266 4.340 0.000 0.000 0.206 76 L C 2.442 179.402 176.870 0.150 0.000 1.087 76 L CA 1.423 56.342 54.840 0.131 0.000 0.767 76 L CB -0.643 41.472 42.059 0.092 0.000 0.917 76 L HN 0.252 nan 8.230 nan 0.000 0.441 77 E N -0.000 120.259 120.200 0.099 0.000 2.097 77 E HA -0.284 4.066 4.350 0.000 0.000 0.196 77 E C 2.224 178.873 176.600 0.082 0.000 1.000 77 E CA 1.559 58.006 56.400 0.079 0.000 0.804 77 E CB 0.040 29.776 29.700 0.060 0.000 0.740 77 E HN 0.444 nan 8.360 nan 0.000 0.454 78 Q N -0.589 119.270 119.800 0.098 0.000 1.917 78 Q HA -0.183 4.157 4.340 0.000 0.000 0.205 78 Q C 2.057 178.127 176.000 0.117 0.000 0.988 78 Q CA 1.604 57.464 55.803 0.095 0.000 0.851 78 Q CB -0.446 28.355 28.738 0.105 0.000 0.916 78 Q HN 0.344 nan 8.270 nan 0.000 0.424 79 F N 1.295 121.252 119.950 0.012 0.000 2.079 79 F HA -0.296 4.231 4.527 -0.000 0.000 0.296 79 F C 1.649 177.454 175.800 0.010 0.000 1.084 79 F CA 1.859 59.865 58.000 0.010 0.000 1.236 79 F CB 0.040 39.047 39.000 0.011 0.000 0.984 79 F HN 0.091 nan 8.300 nan 0.000 0.488 80 L N -1.863 119.372 121.223 0.020 0.000 2.766 80 L HA 0.493 4.833 4.340 0.000 0.000 0.242 80 L C 0.843 177.687 176.870 -0.044 0.000 1.136 80 L CA 0.118 54.909 54.840 -0.082 0.000 0.933 80 L CB -0.572 41.514 42.059 0.045 0.000 1.241 80 L HN 0.134 nan 8.230 nan 0.000 0.522 81 G N 1.266 110.061 108.800 -0.008 0.000 3.341 81 G HA2 -0.113 3.847 3.960 0.000 0.000 0.374 81 G HA3 -0.113 3.847 3.960 0.000 0.000 0.374 81 G C -0.346 174.561 174.900 0.011 0.000 0.885 81 G CA 0.142 45.240 45.100 -0.003 0.000 0.740 81 G HN 0.267 nan 8.290 nan 0.000 0.390 82 T N 2.018 116.586 114.554 0.024 0.000 2.942 82 T HA 0.639 4.989 4.350 0.000 0.000 0.327 82 T C 0.732 175.448 174.700 0.027 0.000 1.360 82 T CA -0.118 61.998 62.100 0.027 0.000 1.055 82 T CB 1.992 70.883 68.868 0.038 0.000 1.261 82 T HN 0.847 nan 8.240 nan 0.000 0.485 83 N N 0.582 119.297 118.700 0.024 0.000 3.419 83 N HA 0.376 5.116 4.740 0.000 0.000 0.224 83 N C 1.260 176.785 175.510 0.025 0.000 1.114 83 N CA -0.107 52.957 53.050 0.023 0.000 1.144 83 N CB -0.304 38.194 38.487 0.018 0.000 1.459 83 N HN 0.683 nan 8.380 nan 0.000 0.632 84 G N -0.347 108.467 108.800 0.022 0.000 2.486 84 G HA2 0.291 4.251 3.960 0.000 0.000 0.272 84 G HA3 0.291 4.251 3.960 0.000 0.000 0.272 84 G C -0.675 174.240 174.900 0.026 0.000 1.426 84 G CA 0.337 45.451 45.100 0.023 0.000 1.058 84 G HN 0.674 nan 8.290 nan 0.000 0.531 85 Q N -1.507 118.307 119.800 0.024 0.000 2.222 85 Q HA -0.166 4.174 4.340 0.000 0.000 0.308 85 Q C -0.659 175.360 176.000 0.030 0.000 1.111 85 Q CA 0.113 55.931 55.803 0.025 0.000 0.691 85 Q CB -0.643 28.110 28.738 0.026 0.000 0.871 85 Q HN 0.651 nan 8.270 nan 0.000 0.323 86 R N 4.757 125.274 120.500 0.029 0.000 2.593 86 R HA 0.422 4.762 4.340 0.000 0.000 0.282 86 R C 0.135 176.456 176.300 0.034 0.000 1.300 86 R CA -0.154 55.967 56.100 0.035 0.000 1.221 86 R CB -0.239 30.082 30.300 0.035 0.000 1.157 86 R HN 0.442 nan 8.270 nan 0.000 0.555 87 I N 2.577 123.172 120.570 0.042 0.000 2.337 87 I HA 0.459 4.629 4.170 0.000 0.000 0.291 87 I C -2.002 174.152 176.117 0.062 0.000 1.046 87 I CA -2.114 59.210 61.300 0.040 0.000 1.324 87 I CB 0.603 38.632 38.000 0.048 0.000 1.409 87 I HN 0.357 nan 8.210 nan 0.000 0.494 88 P HA 0.092 nan 4.420 nan 0.000 0.276 88 P C -1.325 176.047 177.300 0.119 0.000 1.252 88 P CA -0.170 62.978 63.100 0.080 0.000 0.802 88 P CB 0.567 32.295 31.700 0.047 0.000 1.035 89 Y N 1.212 121.516 120.300 0.006 0.000 2.350 89 Y HA 0.396 4.946 4.550 0.000 0.000 0.340 89 Y C 0.038 175.942 175.900 0.007 0.000 1.006 89 Y CA -0.253 57.852 58.100 0.008 0.000 1.166 89 Y CB 0.147 38.596 38.460 -0.018 0.000 1.168 89 Y HN 0.132 nan 8.280 nan 0.000 0.502 90 I N 8.009 128.444 120.570 -0.225 0.000 2.336 90 I HA 0.325 4.495 4.170 0.000 0.000 0.292 90 I C -0.725 175.294 176.117 -0.164 0.000 0.991 90 I CA -0.382 60.842 61.300 -0.127 0.000 1.227 90 I CB 1.114 39.065 38.000 -0.082 0.000 1.366 90 I HN 0.474 nan 8.210 nan 0.000 0.466 91 I N 5.769 126.331 120.570 -0.013 0.000 2.406 91 I HA 0.300 4.470 4.170 0.000 0.000 0.290 91 I C 0.129 176.289 176.117 0.072 0.000 0.999 91 I CA -0.051 61.288 61.300 0.065 0.000 1.124 91 I CB 1.832 39.897 38.000 0.107 0.000 1.289 91 I HN 0.617 nan 8.210 nan 0.000 0.441 92 S N 6.501 122.250 115.700 0.082 0.000 2.681 92 S HA 0.846 5.316 4.470 0.000 0.000 0.299 92 S C -0.560 174.086 174.600 0.076 0.000 1.113 92 S CA -0.766 57.469 58.200 0.058 0.000 1.013 92 S CB 2.022 65.239 63.200 0.028 0.000 1.076 92 S HN 0.431 nan 8.310 nan 0.000 0.534 93 I N 0.787 121.384 120.570 0.044 0.000 2.534 93 I HA 0.619 4.789 4.170 0.000 0.000 0.286 93 I C -0.085 176.019 176.117 -0.022 0.000 1.094 93 I CA -0.596 60.724 61.300 0.034 0.000 1.055 93 I CB 1.696 39.718 38.000 0.037 0.000 1.225 93 I HN 0.927 nan 8.210 nan 0.000 0.435 94 A N 4.239 127.016 122.820 -0.072 0.000 2.392 94 A HA 1.071 5.391 4.320 0.000 0.000 0.283 94 A C -0.038 177.294 177.584 -0.420 0.000 1.197 94 A CA -0.338 51.589 52.037 -0.184 0.000 0.895 94 A CB 1.666 20.586 19.000 -0.133 0.000 1.400 94 A HN 1.046 nan 8.150 nan 0.000 0.461 95 G N -1.529 106.949 108.800 -0.537 0.000 2.361 95 G HA2 0.504 4.464 3.960 0.000 0.000 0.305 95 G HA3 0.504 4.464 3.960 0.000 0.000 0.305 95 G C -0.166 174.601 174.900 -0.223 0.000 1.367 95 G CA 0.250 44.979 45.100 -0.618 0.000 0.951 95 G HN 1.524 nan 8.290 nan 0.000 0.615 96 S N -1.946 113.712 115.700 -0.071 0.000 2.625 96 S HA 0.598 5.069 4.470 0.000 0.000 0.262 96 S C 0.966 175.648 174.600 0.136 0.000 1.223 96 S CA 0.166 58.411 58.200 0.076 0.000 0.993 96 S CB 0.719 64.038 63.200 0.198 0.000 1.051 96 S HN 1.337 nan 8.310 nan 0.000 0.562 97 V N 1.912 121.963 119.914 0.228 0.000 2.740 97 V HA 0.425 4.545 4.120 0.000 0.000 0.303 97 V C 1.251 177.500 176.094 0.258 0.000 1.054 97 V CA 0.642 63.092 62.300 0.250 0.000 1.106 97 V CB -0.010 32.043 31.823 0.384 0.000 0.957 97 V HN 1.456 nan 8.190 nan 0.000 0.486 98 A N 3.515 126.427 122.820 0.153 0.000 2.816 98 A HA -0.167 4.153 4.320 0.000 0.000 0.270 98 A C 1.332 178.977 177.584 0.103 0.000 1.413 98 A CA 1.051 53.146 52.037 0.096 0.000 0.866 98 A CB -1.887 17.184 19.000 0.118 0.000 1.032 98 A HN 0.952 nan 8.150 nan 0.000 0.642 99 V N -1.440 118.562 119.914 0.148 0.000 2.871 99 V HA 0.343 4.463 4.120 0.000 0.000 0.256 99 V C 2.023 178.127 176.094 0.015 0.000 1.082 99 V CA 2.301 64.696 62.300 0.158 0.000 1.105 99 V CB 0.135 32.074 31.823 0.194 0.000 0.713 99 V HN 2.289 nan 8.190 nan 0.000 0.473 100 G N -0.626 108.166 108.800 -0.013 0.000 2.148 100 G HA2 -0.191 3.769 3.960 0.000 0.000 0.157 100 G HA3 -0.191 3.769 3.960 0.000 0.000 0.157 100 G C 0.687 175.571 174.900 -0.026 0.000 1.012 100 G CA 0.355 45.430 45.100 -0.042 0.000 0.677 100 G HN 0.384 nan 8.290 nan 0.000 0.506 101 K N 0.632 121.025 120.400 -0.011 0.000 1.987 101 K HA -0.108 4.213 4.320 0.000 0.000 0.216 101 K C 2.694 179.286 176.600 -0.014 0.000 1.051 101 K CA 2.024 58.306 56.287 -0.008 0.000 0.942 101 K CB -0.316 32.185 32.500 0.001 0.000 0.722 101 K HN 0.304 nan 8.250 nan 0.000 0.444 102 S N 0.303 115.995 115.700 -0.014 0.000 2.353 102 S HA -0.163 4.307 4.470 0.000 0.000 0.222 102 S C 2.062 176.625 174.600 -0.062 0.000 1.035 102 S CA 1.927 60.112 58.200 -0.026 0.000 1.025 102 S CB -0.525 62.659 63.200 -0.026 0.000 0.902 102 S HN 0.378 nan 8.310 nan 0.000 0.440 103 T N 2.279 116.778 114.554 -0.093 0.000 2.607 103 T HA -0.163 4.187 4.350 0.000 0.000 0.267 103 T C 2.091 176.687 174.700 -0.174 0.000 1.049 103 T CA 2.027 64.043 62.100 -0.141 0.000 1.162 103 T CB -1.151 67.613 68.868 -0.173 0.000 0.863 103 T HN 0.482 nan 8.240 nan 0.000 0.424 104 T N 2.261 116.722 114.554 -0.155 0.000 2.624 104 T HA -0.174 4.176 4.350 0.000 0.000 0.268 104 T C 2.336 176.977 174.700 -0.098 0.000 1.041 104 T CA 1.529 63.534 62.100 -0.158 0.000 1.159 104 T CB -0.868 67.991 68.868 -0.015 0.000 0.863 104 T HN 0.483 nan 8.240 nan 0.000 0.434 105 A N 1.788 124.581 122.820 -0.044 0.000 1.849 105 A HA -0.219 4.101 4.320 0.000 0.000 0.217 105 A C 2.374 179.942 177.584 -0.027 0.000 1.202 105 A CA 2.184 54.213 52.037 -0.013 0.000 0.629 105 A CB -0.830 18.173 19.000 0.006 0.000 0.834 105 A HN 0.442 nan 8.150 nan 0.000 0.447 106 R N -0.926 119.548 120.500 -0.043 0.000 2.112 106 R HA -0.161 4.179 4.340 0.000 0.000 0.242 106 R C 2.084 178.353 176.300 -0.052 0.000 1.137 106 R CA 1.851 57.926 56.100 -0.042 0.000 0.944 106 R CB -0.778 29.488 30.300 -0.057 0.000 0.857 106 R HN 0.409 nan 8.270 nan 0.000 0.435 107 V N 0.965 120.815 119.914 -0.106 0.000 2.287 107 V HA -0.259 3.861 4.120 0.000 0.000 0.248 107 V C 2.222 178.289 176.094 -0.046 0.000 1.053 107 V CA 1.511 63.737 62.300 -0.123 0.000 1.027 107 V CB -0.494 31.146 31.823 -0.305 0.000 0.646 107 V HN 0.246 nan 8.190 nan 0.000 0.447 108 L N -0.216 120.988 121.223 -0.032 0.000 2.046 108 L HA -0.202 4.138 4.340 0.000 0.000 0.208 108 L C 2.528 179.423 176.870 0.043 0.000 1.077 108 L CA 1.983 56.840 54.840 0.030 0.000 0.747 108 L CB -1.437 40.639 42.059 0.029 0.000 0.896 108 L HN 0.492 nan 8.230 nan 0.000 0.432 109 Q N -0.923 118.894 119.800 0.027 0.000 2.096 109 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 109 Q C 2.154 178.188 176.000 0.057 0.000 0.982 109 Q CA 2.046 57.873 55.803 0.041 0.000 0.850 109 Q CB 0.047 28.803 28.738 0.030 0.000 0.901 109 Q HN 0.498 nan 8.270 nan 0.000 0.422 110 A N 0.825 123.671 122.820 0.042 0.000 1.835 110 A HA -0.172 4.148 4.320 0.000 0.000 0.215 110 A C 2.059 179.696 177.584 0.088 0.000 1.199 110 A CA 1.542 53.608 52.037 0.048 0.000 0.615 110 A CB -0.936 18.077 19.000 0.022 0.000 0.838 110 A HN 0.455 nan 8.150 nan 0.000 0.444 111 L N -1.078 120.213 121.223 0.112 0.000 2.083 111 L HA -0.171 4.169 4.340 0.000 0.000 0.209 111 L C 2.529 179.599 176.870 0.333 0.000 1.083 111 L CA 0.991 55.945 54.840 0.190 0.000 0.752 111 L CB -0.710 41.478 42.059 0.215 0.000 0.899 111 L HN 0.295 nan 8.230 nan 0.000 0.433 112 L N 0.071 121.458 121.223 0.273 0.000 2.201 112 L HA -0.158 4.182 4.340 0.000 0.000 0.212 112 L C 2.733 179.878 176.870 0.459 0.000 1.105 112 L CA 1.461 56.500 54.840 0.331 0.000 0.775 112 L CB -0.415 41.683 42.059 0.065 0.000 0.913 112 L HN 0.337 nan 8.230 nan 0.000 0.440 113 S N -0.344 115.524 115.700 0.280 0.000 2.522 113 S HA -0.141 4.329 4.470 0.000 0.000 0.227 113 S C 1.841 176.553 174.600 0.186 0.000 0.986 113 S CA 0.215 58.551 58.200 0.227 0.000 0.929 113 S CB -0.474 62.802 63.200 0.127 0.000 0.769 113 S HN 0.560 nan 8.310 nan 0.000 0.529 114 R N 0.162 120.763 120.500 0.169 0.000 2.325 114 R HA 0.095 4.435 4.340 0.000 0.000 0.214 114 R C -0.558 175.635 176.300 -0.177 0.000 0.961 114 R CA -0.249 55.828 56.100 -0.038 0.000 1.086 114 R CB -0.154 30.054 30.300 -0.154 0.000 1.037 114 R HN 0.456 nan 8.270 nan 0.000 0.493 115 W N 1.549 122.796 121.300 -0.089 0.000 2.391 115 W HA 0.303 4.963 4.660 -0.000 0.000 0.311 115 W C -2.118 174.238 176.519 -0.272 0.000 1.087 115 W CA -2.647 54.537 57.345 -0.268 0.000 1.209 115 W CB 1.833 30.925 29.460 -0.613 0.000 1.273 115 W HN -0.064 nan 8.180 nan 0.000 0.482 116 P HA -0.201 nan 4.420 nan 0.000 0.221 116 P C 1.088 178.366 177.300 -0.036 0.000 1.145 116 P CA 1.815 64.892 63.100 -0.039 0.000 0.795 116 P CB 0.399 32.074 31.700 -0.042 0.000 0.775 117 E N -1.708 118.428 120.200 -0.106 0.000 2.072 117 E HA -0.173 4.178 4.350 0.000 0.000 0.190 117 E C 1.738 178.343 176.600 0.009 0.000 0.982 117 E CA 1.009 57.360 56.400 -0.081 0.000 0.803 117 E CB -0.295 29.315 29.700 -0.150 0.000 0.755 117 E HN 0.526 nan 8.360 nan 0.000 0.453 118 H N -1.145 117.973 119.070 0.080 0.000 2.275 118 H HA 0.220 4.776 4.556 0.000 0.000 0.315 118 H C 1.337 176.704 175.328 0.065 0.000 1.058 118 H CA 0.353 56.436 56.048 0.057 0.000 1.387 118 H CB 0.150 29.945 29.762 0.055 0.000 1.435 118 H HN -0.147 nan 8.280 nan 0.000 0.530 119 R N -0.420 120.219 120.500 0.232 0.000 4.037 119 R HA -0.160 4.181 4.340 0.000 0.000 0.418 119 R C -0.478 175.899 176.300 0.127 0.000 0.701 119 R CA 1.590 57.776 56.100 0.145 0.000 1.660 119 R CB -1.094 29.255 30.300 0.082 0.000 2.238 119 R HN 0.373 nan 8.270 nan 0.000 0.429 120 R N -0.123 120.453 120.500 0.127 0.000 2.388 120 R HA 0.549 4.889 4.340 0.000 0.000 0.314 120 R C -1.233 175.121 176.300 0.091 0.000 0.959 120 R CA -0.466 55.690 56.100 0.094 0.000 0.851 120 R CB 1.971 32.319 30.300 0.079 0.000 1.168 120 R HN -0.098 nan 8.270 nan 0.000 0.472 121 V N 2.870 122.833 119.914 0.081 0.000 2.409 121 V HA 0.230 4.350 4.120 0.000 0.000 0.290 121 V C -0.256 175.880 176.094 0.069 0.000 1.017 121 V CA -0.836 61.507 62.300 0.070 0.000 0.841 121 V CB 1.648 33.511 31.823 0.066 0.000 1.003 121 V HN 0.612 nan 8.190 nan 0.000 0.426 122 E N 3.709 123.955 120.200 0.077 0.000 2.283 122 E HA 0.677 5.027 4.350 0.000 0.000 0.267 122 E C -1.165 175.490 176.600 0.092 0.000 1.045 122 E CA -0.485 55.968 56.400 0.087 0.000 0.884 122 E CB 1.675 31.439 29.700 0.107 0.000 1.106 122 E HN 0.531 nan 8.360 nan 0.000 0.408 123 L N 4.544 125.823 121.223 0.092 0.000 2.406 123 L HA 0.494 4.834 4.340 0.000 0.000 0.272 123 L C -1.923 175.011 176.870 0.107 0.000 0.980 123 L CA -0.633 54.261 54.840 0.090 0.000 0.831 123 L CB 1.381 43.477 42.059 0.060 0.000 1.253 123 L HN 0.427 nan 8.230 nan 0.000 0.406 124 I N 3.663 124.313 120.570 0.134 0.000 2.406 124 I HA 0.431 4.601 4.170 0.000 0.000 0.290 124 I C 0.339 176.537 176.117 0.134 0.000 0.999 124 I CA -0.416 60.971 61.300 0.144 0.000 1.124 124 I CB 1.745 39.871 38.000 0.210 0.000 1.289 124 I HN 0.716 nan 8.210 nan 0.000 0.441 125 T N 2.566 117.205 114.554 0.142 0.000 2.799 125 T HA 0.178 4.528 4.350 0.000 0.000 0.286 125 T C 1.151 175.975 174.700 0.207 0.000 0.973 125 T CA -0.148 62.044 62.100 0.153 0.000 1.035 125 T CB 0.794 69.765 68.868 0.173 0.000 0.932 125 T HN 0.688 nan 8.240 nan 0.000 0.469 126 T N 3.312 117.962 114.554 0.159 0.000 2.849 126 T HA -0.109 4.241 4.350 0.000 0.000 0.270 126 T C 1.318 176.215 174.700 0.329 0.000 1.066 126 T CA 1.738 63.941 62.100 0.171 0.000 1.130 126 T CB -0.560 68.305 68.868 -0.005 0.000 0.864 126 T HN 0.728 nan 8.240 nan 0.000 0.481 127 D N 0.707 121.231 120.400 0.207 0.000 2.158 127 D HA -0.094 4.546 4.640 0.000 0.000 0.197 127 D C 2.191 178.528 176.300 0.061 0.000 0.995 127 D CA 1.357 55.353 54.000 -0.005 0.000 0.846 127 D CB -0.823 39.803 40.800 -0.290 0.000 0.941 127 D HN 0.538 nan 8.370 nan 0.000 0.456 128 G N -0.508 108.410 108.800 0.198 0.000 2.501 128 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 128 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 128 G C 0.990 175.841 174.900 -0.082 0.000 1.114 128 G CA 0.111 45.262 45.100 0.084 0.000 0.757 128 G HN 0.227 nan 8.290 nan 0.000 0.559 129 F N 0.267 120.277 119.950 0.100 0.000 2.765 129 F HA 0.419 4.946 4.527 0.000 0.000 0.302 129 F C 1.191 177.084 175.800 0.156 0.000 1.111 129 F CA -0.677 57.390 58.000 0.111 0.000 1.359 129 F CB -0.010 39.033 39.000 0.072 0.000 1.097 129 F HN -0.093 nan 8.300 nan 0.000 0.577 130 L N -0.123 121.244 121.223 0.240 0.000 2.473 130 L HA 0.054 4.394 4.340 0.000 0.000 0.268 130 L C 0.593 177.522 176.870 0.100 0.000 1.215 130 L CA -0.316 54.539 54.840 0.025 0.000 0.823 130 L CB 0.168 42.165 42.059 -0.104 0.000 1.099 130 L HN 0.021 nan 8.230 nan 0.000 0.483 131 H N 1.032 120.147 119.070 0.075 0.000 2.764 131 H HA 0.182 4.738 4.556 0.000 0.000 0.341 131 H C -2.084 173.280 175.328 0.060 0.000 1.072 131 H CA -2.336 53.756 56.048 0.074 0.000 1.444 131 H CB 0.423 30.221 29.762 0.061 0.000 1.458 131 H HN 0.262 nan 8.280 nan 0.000 0.572 132 P HA -0.014 nan 4.420 nan 0.000 0.267 132 P C 0.700 178.047 177.300 0.078 0.000 1.200 132 P CA 0.094 63.261 63.100 0.111 0.000 0.772 132 P CB 0.761 32.500 31.700 0.065 0.000 0.855 133 N N 1.566 120.301 118.700 0.058 0.000 2.049 133 N HA -0.310 4.430 4.740 0.000 0.000 0.198 133 N C 1.699 177.200 175.510 -0.015 0.000 1.030 133 N CA 1.156 54.211 53.050 0.007 0.000 0.870 133 N CB -0.326 38.160 38.487 -0.001 0.000 1.045 133 N HN 0.599 nan 8.380 nan 0.000 0.434 134 Q N 1.062 120.860 119.800 -0.004 0.000 2.082 134 Q HA -0.175 4.165 4.340 0.000 0.000 0.211 134 Q C 2.357 178.347 176.000 -0.017 0.000 1.002 134 Q CA 1.620 57.417 55.803 -0.010 0.000 0.868 134 Q CB -1.165 27.569 28.738 -0.006 0.000 0.931 134 Q HN 0.340 nan 8.270 nan 0.000 0.414 135 V N 1.947 121.852 119.914 -0.014 0.000 2.295 135 V HA -0.241 3.879 4.120 0.000 0.000 0.246 135 V C 2.694 178.776 176.094 -0.021 0.000 1.049 135 V CA 1.696 63.975 62.300 -0.036 0.000 1.024 135 V CB -0.750 31.027 31.823 -0.076 0.000 0.648 135 V HN 0.228 nan 8.190 nan 0.000 0.447 136 L N -0.330 120.896 121.223 0.006 0.000 2.043 136 L HA -0.227 4.113 4.340 0.000 0.000 0.212 136 L C 2.629 179.467 176.870 -0.053 0.000 1.075 136 L CA 1.730 56.564 54.840 -0.010 0.000 0.752 136 L CB -0.824 41.221 42.059 -0.024 0.000 0.891 136 L HN 0.319 nan 8.230 nan 0.000 0.432 137 K N 0.312 120.673 120.400 -0.063 0.000 2.057 137 K HA -0.187 4.133 4.320 0.000 0.000 0.207 137 K C 1.974 178.558 176.600 -0.027 0.000 1.049 137 K CA 1.454 57.708 56.287 -0.054 0.000 0.931 137 K CB -0.195 32.286 32.500 -0.031 0.000 0.714 137 K HN 0.396 nan 8.250 nan 0.000 0.440 138 E N 0.673 120.858 120.200 -0.024 0.000 2.110 138 E HA -0.149 4.201 4.350 0.000 0.000 0.193 138 E C 1.717 178.305 176.600 -0.020 0.000 0.988 138 E CA 1.084 57.472 56.400 -0.020 0.000 0.804 138 E CB 0.058 29.744 29.700 -0.023 0.000 0.745 138 E HN 0.178 nan 8.360 nan 0.000 0.458 139 R N -0.651 119.834 120.500 -0.024 0.000 2.317 139 R HA 0.139 4.479 4.340 0.000 0.000 0.208 139 R C 0.731 177.010 176.300 -0.036 0.000 0.914 139 R CA 0.485 56.571 56.100 -0.025 0.000 1.060 139 R CB 0.623 30.913 30.300 -0.016 0.000 1.015 139 R HN 0.159 nan 8.270 nan 0.000 0.498 140 G N 1.333 110.112 108.800 -0.036 0.000 2.295 140 G HA2 -0.273 3.687 3.960 0.000 0.000 0.287 140 G HA3 -0.273 3.687 3.960 0.000 0.000 0.287 140 G C -0.149 174.712 174.900 -0.065 0.000 1.055 140 G CA 0.222 45.299 45.100 -0.039 0.000 0.922 140 G HN 0.184 nan 8.290 nan 0.000 0.503 144 K N 1.289 121.684 120.400 -0.008 0.000 2.699 144 K HA 0.194 4.514 4.320 0.000 0.000 0.210 144 K C -0.346 176.312 176.600 0.096 0.000 1.076 144 K CA -0.410 55.809 56.287 -0.114 0.000 1.109 144 K CB 0.979 33.161 32.500 -0.529 0.000 0.862 144 K HN -0.108 nan 8.250 nan 0.000 0.470 145 K N 0.829 121.301 120.400 0.121 0.000 2.436 145 K HA 0.045 4.366 4.320 0.000 0.000 0.282 145 K C 0.883 177.535 176.600 0.087 0.000 1.044 145 K CA 1.060 57.384 56.287 0.061 0.000 1.028 145 K CB 0.157 32.717 32.500 0.101 0.000 0.919 145 K HN 0.517 nan 8.250 nan 0.000 0.474 146 G N 3.296 112.048 108.800 -0.080 0.000 2.211 146 G HA2 -0.215 3.745 3.960 0.000 0.000 0.201 146 G HA3 -0.215 3.745 3.960 0.000 0.000 0.201 146 G C -0.342 174.623 174.900 0.109 0.000 0.997 146 G CA -0.666 44.424 45.100 -0.015 0.000 0.652 146 G HN 0.469 nan 8.290 nan 0.000 0.500 147 F N 0.935 120.847 119.950 -0.064 0.000 2.371 147 F HA 0.518 5.046 4.527 0.000 0.000 0.329 147 F C -0.400 175.414 175.800 0.023 0.000 1.107 147 F CA -1.591 56.391 58.000 -0.031 0.000 1.137 147 F CB 1.293 40.249 39.000 -0.074 0.000 1.214 147 F HN -0.195 nan 8.300 nan 0.000 0.536 148 P HA -0.254 nan 4.420 nan 0.000 0.218 148 P C 1.107 178.514 177.300 0.179 0.000 1.152 148 P CA 1.978 64.989 63.100 -0.148 0.000 0.857 148 P CB -0.060 31.166 31.700 -0.790 0.000 0.787 149 E N -0.482 119.750 120.200 0.054 0.000 2.427 149 E HA -0.063 4.287 4.350 0.000 0.000 0.196 149 E C 1.445 178.086 176.600 0.067 0.000 1.028 149 E CA 1.186 57.549 56.400 -0.061 0.000 0.864 149 E CB -0.657 28.838 29.700 -0.341 0.000 0.813 149 E HN 0.314 nan 8.360 nan 0.000 0.514 150 S N -0.676 115.042 115.700 0.030 0.000 2.593 150 S HA 0.046 4.516 4.470 0.000 0.000 0.217 150 S C 0.189 174.616 174.600 -0.289 0.000 0.966 150 S CA -0.585 57.561 58.200 -0.091 0.000 0.914 150 S CB -0.414 62.689 63.200 -0.162 0.000 0.776 150 S HN 0.248 nan 8.310 nan 0.000 0.523 151 Y N 1.096 121.364 120.300 -0.054 0.000 2.420 151 Y HA 0.618 5.168 4.550 0.000 0.000 0.334 151 Y C 0.346 176.061 175.900 -0.309 0.000 1.094 151 Y CA -1.097 56.938 58.100 -0.109 0.000 1.126 151 Y CB 1.217 39.750 38.460 0.123 0.000 1.217 151 Y HN 0.138 nan 8.280 nan 0.000 0.462 155 R N 1.384 122.014 120.500 0.218 0.000 2.075 155 R HA -0.065 4.276 4.340 0.000 0.000 0.232 155 R C 2.119 178.565 176.300 0.244 0.000 1.126 155 R CA 1.690 57.947 56.100 0.261 0.000 0.963 155 R CB -0.127 30.380 30.300 0.345 0.000 0.858 155 R HN 0.102 nan 8.270 nan 0.000 0.435 156 L N 0.516 121.762 121.223 0.039 0.000 2.017 156 L HA -0.114 4.226 4.340 0.000 0.000 0.208 156 L C 2.061 178.787 176.870 -0.239 0.000 1.073 156 L CA 1.627 56.176 54.840 -0.485 0.000 0.745 156 L CB -0.549 41.069 42.059 -0.736 0.000 0.894 156 L HN 0.058 nan 8.230 nan 0.000 0.432 157 V N 0.007 119.793 119.914 -0.213 0.000 2.332 157 V HA -0.280 3.840 4.120 0.000 0.000 0.248 157 V C 2.762 178.743 176.094 -0.189 0.000 1.055 157 V CA 1.879 64.071 62.300 -0.180 0.000 1.038 157 V CB -0.838 30.869 31.823 -0.194 0.000 0.651 157 V HN 0.457 nan 8.190 nan 0.000 0.450 158 K N -0.673 119.679 120.400 -0.079 0.000 2.147 158 K HA -0.187 4.133 4.320 0.000 0.000 0.205 158 K C 2.096 178.656 176.600 -0.067 0.000 1.049 158 K CA 1.555 57.799 56.287 -0.072 0.000 0.936 158 K CB -0.382 32.141 32.500 0.039 0.000 0.722 158 K HN 0.478 nan 8.250 nan 0.000 0.446 159 F N 1.586 121.468 119.950 -0.112 0.000 2.051 159 F HA -0.248 4.280 4.527 0.000 0.000 0.296 159 F C 2.104 177.809 175.800 -0.159 0.000 1.122 159 F CA 1.991 59.956 58.000 -0.059 0.000 1.201 159 F CB -0.795 38.232 39.000 0.046 0.000 0.978 159 F HN -0.122 nan 8.300 nan 0.000 0.472 160 V N -1.859 117.812 119.914 -0.405 0.000 2.407 160 V HA -0.189 3.931 4.120 0.000 0.000 0.248 160 V C 2.422 178.101 176.094 -0.692 0.000 1.055 160 V CA 2.018 64.006 62.300 -0.519 0.000 1.049 160 V CB -1.561 30.131 31.823 -0.218 0.000 0.662 160 V HN 0.478 nan 8.190 nan 0.000 0.455 161 S N 0.705 115.812 115.700 -0.989 0.000 2.353 161 S HA -0.275 4.195 4.470 0.000 0.000 0.222 161 S C 1.776 176.041 174.600 -0.560 0.000 1.035 161 S CA 2.164 59.592 58.200 -1.286 0.000 1.025 161 S CB -0.707 61.903 63.200 -0.983 0.000 0.902 161 S HN 0.762 nan 8.310 nan 0.000 0.440 162 D N 1.234 121.407 120.400 -0.379 0.000 2.097 162 D HA -0.061 4.579 4.640 0.000 0.000 0.195 162 D C 2.040 178.201 176.300 -0.231 0.000 0.989 162 D CA 0.889 54.754 54.000 -0.225 0.000 0.827 162 D CB -0.597 40.119 40.800 -0.141 0.000 0.966 162 D HN 0.358 nan 8.370 nan 0.000 0.456 163 L N 0.053 121.066 121.223 -0.350 0.000 2.013 163 L HA -0.215 4.125 4.340 0.000 0.000 0.212 163 L C 2.074 178.841 176.870 -0.171 0.000 1.073 163 L CA 1.213 55.871 54.840 -0.303 0.000 0.753 163 L CB -0.213 41.570 42.059 -0.461 0.000 0.890 163 L HN -0.050 nan 8.230 nan 0.000 0.432 164 K N -0.893 119.407 120.400 -0.167 0.000 2.487 164 K HA 0.021 4.341 4.320 0.000 0.000 0.192 164 K C 1.771 178.367 176.600 -0.007 0.000 1.027 164 K CA 0.289 56.560 56.287 -0.027 0.000 1.054 164 K CB 0.193 32.775 32.500 0.137 0.000 0.824 164 K HN 0.014 nan 8.250 nan 0.000 0.510 165 S N -1.582 114.081 115.700 -0.062 0.000 2.503 165 S HA 0.184 4.654 4.470 0.000 0.000 0.215 165 S C 1.090 175.678 174.600 -0.020 0.000 1.003 165 S CA 0.525 58.706 58.200 -0.032 0.000 0.910 165 S CB 0.658 63.822 63.200 -0.059 0.000 0.790 165 S HN 0.526 nan 8.310 nan 0.000 0.514 166 G N 0.869 109.652 108.800 -0.028 0.000 2.179 166 G HA2 -0.227 3.733 3.960 0.000 0.000 0.220 166 G HA3 -0.227 3.733 3.960 0.000 0.000 0.220 166 G C 0.140 175.031 174.900 -0.016 0.000 0.990 166 G CA -0.086 45.006 45.100 -0.013 0.000 0.646 166 G HN 0.369 nan 8.290 nan 0.000 0.517 167 V N 2.370 122.266 119.914 -0.030 0.000 2.509 167 V HA 0.093 4.213 4.120 0.000 0.000 0.297 167 V C 0.278 176.365 176.094 -0.012 0.000 1.014 167 V CA 0.304 62.592 62.300 -0.020 0.000 1.127 167 V CB 0.765 32.571 31.823 -0.028 0.000 0.925 167 V HN 0.210 nan 8.190 nan 0.000 0.480 168 P HA -0.123 nan 4.420 nan 0.000 0.211 168 P C -0.013 177.299 177.300 0.020 0.000 1.181 168 P CA 1.315 64.422 63.100 0.012 0.000 0.929 168 P CB 0.091 31.800 31.700 0.015 0.000 0.789 169 N N -1.156 117.560 118.700 0.028 0.000 2.443 169 N HA 0.380 5.120 4.740 0.000 0.000 0.269 169 N C -1.467 174.080 175.510 0.061 0.000 0.985 169 N CA -0.508 52.570 53.050 0.046 0.000 0.921 169 N CB 1.618 40.131 38.487 0.044 0.000 1.195 169 N HN -0.232 nan 8.380 nan 0.000 0.492 170 V N 0.672 120.642 119.914 0.093 0.000 2.459 170 V HA 0.552 4.672 4.120 0.000 0.000 0.295 170 V C 0.411 176.656 176.094 0.251 0.000 1.029 170 V CA -0.772 61.621 62.300 0.154 0.000 0.874 170 V CB 1.661 33.549 31.823 0.109 0.000 0.985 170 V HN 0.645 nan 8.190 nan 0.000 0.438 171 T N 2.968 117.647 114.554 0.209 0.000 2.928 171 T HA 0.800 5.150 4.350 0.000 0.000 0.284 171 T C -0.321 174.425 174.700 0.078 0.000 1.008 171 T CA 0.057 62.238 62.100 0.135 0.000 1.057 171 T CB 1.377 70.280 68.868 0.059 0.000 1.018 171 T HN 1.190 nan 8.240 nan 0.000 0.493 172 A N 5.198 127.962 122.820 -0.094 0.000 2.449 172 A HA 0.824 5.144 4.320 0.000 0.000 0.302 172 A C -2.859 174.503 177.584 -0.369 0.000 1.048 172 A CA -1.874 49.937 52.037 -0.377 0.000 0.708 172 A CB 1.454 20.074 19.000 -0.634 0.000 1.274 172 A HN 0.704 nan 8.150 nan 0.000 0.410 173 P HA 0.337 nan 4.420 nan 0.000 0.272 173 P C -0.589 176.537 177.300 -0.290 0.000 1.230 173 P CA 0.006 62.874 63.100 -0.387 0.000 0.788 173 P CB 0.920 32.343 31.700 -0.462 0.000 0.949 174 V N 2.217 122.058 119.914 -0.122 0.000 2.680 174 V HA 0.268 4.388 4.120 0.000 0.000 0.309 174 V C -0.528 175.614 176.094 0.080 0.000 1.052 174 V CA -0.680 61.612 62.300 -0.014 0.000 0.908 174 V CB 1.660 33.480 31.823 -0.005 0.000 1.001 174 V HN 0.455 nan 8.190 nan 0.000 0.431 175 Y N 2.517 122.830 120.300 0.021 0.000 2.334 175 Y HA 0.576 5.126 4.550 0.000 0.000 0.328 175 Y C 0.506 176.448 175.900 0.070 0.000 1.130 175 Y CA -0.010 58.113 58.100 0.037 0.000 1.163 175 Y CB 1.827 40.327 38.460 0.067 0.000 1.207 175 Y HN 0.624 nan 8.280 nan 0.000 0.471 176 S N 3.624 119.053 115.700 -0.452 0.000 2.437 176 S HA 0.256 4.726 4.470 0.000 0.000 0.305 176 S C -0.379 173.887 174.600 -0.557 0.000 1.109 176 S CA -0.568 57.444 58.200 -0.313 0.000 1.099 176 S CB 0.210 63.235 63.200 -0.292 0.000 1.004 176 S HN 0.825 nan 8.310 nan 0.000 0.475 177 H N 3.699 122.526 119.070 -0.404 0.000 2.526 177 H HA 0.240 4.796 4.556 0.000 0.000 0.274 177 H C 0.992 175.693 175.328 -1.046 0.000 0.999 177 H CA 0.293 55.948 56.048 -0.654 0.000 1.157 177 H CB 0.357 30.054 29.762 -0.108 0.000 1.407 177 H HN 0.498 nan 8.280 nan 0.000 0.568 178 L N 0.232 121.102 121.223 -0.587 0.000 2.269 178 L HA 0.157 4.497 4.340 0.000 0.000 0.200 178 L C 1.700 178.361 176.870 -0.349 0.000 1.069 178 L CA 1.093 55.712 54.840 -0.369 0.000 0.804 178 L CB -0.178 41.783 42.059 -0.163 0.000 0.987 178 L HN 0.276 nan 8.230 nan 0.000 0.468 179 I N -4.662 115.710 120.570 -0.329 0.000 3.783 179 I HA 0.145 4.315 4.170 0.000 0.000 0.310 179 I C 0.010 176.068 176.117 -0.097 0.000 1.274 179 I CA -0.214 60.993 61.300 -0.154 0.000 1.294 179 I CB -0.280 37.642 38.000 -0.129 0.000 1.051 179 I HN 0.224 nan 8.210 nan 0.000 0.435 180 Y N 2.329 122.479 120.300 -0.251 0.000 3.027 180 Y HA -0.261 4.289 4.550 0.000 0.000 0.195 180 Y C -0.140 175.552 175.900 -0.348 0.000 1.381 180 Y CA 0.887 58.779 58.100 -0.346 0.000 1.015 180 Y CB -1.682 36.786 38.460 0.013 0.000 1.329 180 Y HN 0.625 nan 8.280 nan 0.000 0.462 181 D N -1.406 118.657 120.400 -0.561 0.000 2.648 181 D HA 0.329 4.970 4.640 0.000 0.000 0.244 181 D C -1.373 174.751 176.300 -0.295 0.000 1.244 181 D CA -0.508 53.367 54.000 -0.208 0.000 0.772 181 D CB 1.669 42.432 40.800 -0.062 0.000 1.379 181 D HN 0.020 nan 8.370 nan 0.000 0.428 182 V N 3.188 123.107 119.914 0.009 0.000 2.479 182 V HA 0.302 4.422 4.120 0.000 0.000 0.281 182 V C 0.355 176.427 176.094 -0.037 0.000 1.031 182 V CA -0.133 62.191 62.300 0.040 0.000 1.038 182 V CB -0.164 31.718 31.823 0.099 0.000 0.981 182 V HN 0.485 nan 8.190 nan 0.000 0.478 183 I N 11.283 131.816 120.570 -0.062 0.000 2.872 183 I HA 0.061 4.231 4.170 0.000 0.000 0.287 183 I C -0.632 175.461 176.117 -0.040 0.000 1.197 183 I CA -0.699 60.566 61.300 -0.059 0.000 1.390 183 I CB 0.303 38.270 38.000 -0.054 0.000 1.400 183 I HN 0.626 nan 8.210 nan 0.000 0.544 184 P HA -0.232 nan 4.420 nan 0.000 0.216 184 P C 0.232 177.517 177.300 -0.025 0.000 1.151 184 P CA 1.683 64.768 63.100 -0.025 0.000 0.953 184 P CB 0.101 31.787 31.700 -0.023 0.000 0.789 185 D N -2.220 118.165 120.400 -0.025 0.000 3.010 185 D HA 0.342 4.982 4.640 0.000 0.000 0.347 185 D C 0.900 177.185 176.300 -0.024 0.000 1.340 185 D CA -0.045 53.941 54.000 -0.023 0.000 0.858 185 D CB -0.427 40.364 40.800 -0.016 0.000 1.111 185 D HN 0.136 nan 8.370 nan 0.000 0.482 186 G N 0.162 108.943 108.800 -0.031 0.000 3.690 186 G HA2 0.031 3.991 3.960 0.000 0.000 0.283 186 G HA3 0.031 3.991 3.960 0.000 0.000 0.283 186 G C 0.104 174.984 174.900 -0.035 0.000 1.057 186 G CA -0.469 44.613 45.100 -0.029 0.000 0.821 186 G HN -0.013 nan 8.290 nan 0.000 0.526 187 D N 1.116 121.490 120.400 -0.043 0.000 2.506 187 D HA 0.110 4.750 4.640 0.000 0.000 0.234 187 D C 0.469 176.749 176.300 -0.033 0.000 1.143 187 D CA 0.755 54.720 54.000 -0.058 0.000 0.871 187 D CB 1.259 42.025 40.800 -0.056 0.000 1.190 187 D HN 0.189 nan 8.370 nan 0.000 0.459 188 K N 0.654 121.032 120.400 -0.037 0.000 2.123 188 K HA 0.371 4.691 4.320 0.000 0.000 0.259 188 K C -0.795 175.822 176.600 0.027 0.000 0.960 188 K CA -0.485 55.802 56.287 -0.001 0.000 0.872 188 K CB 1.052 33.555 32.500 0.005 0.000 1.079 188 K HN 0.217 nan 8.250 nan 0.000 0.440 189 T N 2.652 117.235 114.554 0.048 0.000 2.756 189 T HA 0.219 4.569 4.350 0.000 0.000 0.290 189 T C -0.839 173.919 174.700 0.097 0.000 0.985 189 T CA -0.509 61.636 62.100 0.074 0.000 0.955 189 T CB 0.952 69.852 68.868 0.054 0.000 0.930 189 T HN 0.280 nan 8.240 nan 0.000 0.451 190 V N 5.330 125.332 119.914 0.146 0.000 2.356 190 V HA 0.175 4.295 4.120 0.000 0.000 0.258 190 V C 0.540 176.692 176.094 0.097 0.000 1.065 190 V CA -0.457 61.931 62.300 0.147 0.000 0.935 190 V CB 1.078 33.039 31.823 0.231 0.000 1.061 190 V HN 0.674 nan 8.190 nan 0.000 0.484 191 V N 8.250 128.209 119.914 0.074 0.000 2.267 191 V HA 0.256 4.376 4.120 0.000 0.000 0.254 191 V C 0.837 176.961 176.094 0.050 0.000 1.144 191 V CA -0.439 61.894 62.300 0.055 0.000 0.992 191 V CB 0.025 31.876 31.823 0.047 0.000 1.199 191 V HN 1.145 nan 8.190 nan 0.000 0.493 192 Q N 5.241 125.066 119.800 0.043 0.000 2.337 192 Q HA -0.149 4.191 4.340 0.000 0.000 0.338 192 Q C -2.401 173.627 176.000 0.046 0.000 1.211 192 Q CA 0.484 56.308 55.803 0.036 0.000 1.072 192 Q CB -1.357 27.399 28.738 0.031 0.000 1.189 192 Q HN 0.624 nan 8.270 nan 0.000 0.295 193 P HA 0.223 nan 4.420 nan 0.000 0.281 193 P C -0.453 176.887 177.300 0.066 0.000 1.281 193 P CA -0.359 62.778 63.100 0.063 0.000 0.811 193 P CB 0.796 32.538 31.700 0.070 0.000 1.154 194 D N -0.656 119.790 120.400 0.077 0.000 2.149 194 D HA 0.110 4.750 4.640 0.000 0.000 0.206 194 D C 0.367 176.720 176.300 0.088 0.000 0.967 194 D CA 1.257 55.309 54.000 0.087 0.000 0.848 194 D CB -0.113 40.754 40.800 0.110 0.000 0.998 194 D HN 0.284 nan 8.370 nan 0.000 0.474 195 I N 0.627 121.241 120.570 0.073 0.000 2.545 195 I HA 0.357 4.527 4.170 0.000 0.000 0.292 195 I C -1.213 174.950 176.117 0.077 0.000 1.040 195 I CA -0.902 60.446 61.300 0.081 0.000 1.068 195 I CB 2.824 40.828 38.000 0.008 0.000 1.251 195 I HN -0.134 nan 8.210 nan 0.000 0.424 196 L N 6.862 128.133 121.223 0.081 0.000 2.381 196 L HA 0.622 4.962 4.340 0.000 0.000 0.274 196 L C -1.176 175.742 176.870 0.080 0.000 0.988 196 L CA -0.385 54.504 54.840 0.082 0.000 0.824 196 L CB 1.468 43.572 42.059 0.074 0.000 1.263 196 L HN 0.497 nan 8.230 nan 0.000 0.410 197 I N 5.566 126.187 120.570 0.085 0.000 2.321 197 I HA 0.257 4.427 4.170 0.000 0.000 0.291 197 I C -0.788 175.383 176.117 0.091 0.000 0.998 197 I CA -0.568 60.778 61.300 0.077 0.000 1.227 197 I CB 1.724 39.761 38.000 0.062 0.000 1.368 197 I HN 0.417 nan 8.210 nan 0.000 0.466 198 L N 7.547 128.819 121.223 0.081 0.000 2.283 198 L HA 0.340 4.681 4.340 0.000 0.000 0.281 198 L C -0.014 176.885 176.870 0.048 0.000 1.033 198 L CA 0.046 54.934 54.840 0.081 0.000 0.848 198 L CB 0.770 42.873 42.059 0.073 0.000 1.226 198 L HN 0.547 nan 8.230 nan 0.000 0.429 199 E N 4.301 124.533 120.200 0.053 0.000 2.156 199 E HA 0.704 5.054 4.350 0.000 0.000 0.279 199 E C -0.699 175.920 176.600 0.033 0.000 0.965 199 E CA -0.311 56.112 56.400 0.037 0.000 0.789 199 E CB 1.457 31.182 29.700 0.042 0.000 1.098 199 E HN 0.762 nan 8.360 nan 0.000 0.397 200 G N 2.598 111.402 108.800 0.006 0.000 2.356 200 G HA2 0.153 4.113 3.960 0.000 0.000 0.294 200 G HA3 0.153 4.113 3.960 0.000 0.000 0.294 200 G C 0.158 175.041 174.900 -0.027 0.000 1.423 200 G CA -0.589 44.514 45.100 0.005 0.000 0.806 200 G HN 0.468 nan 8.290 nan 0.000 0.527 201 L N 0.022 121.245 121.223 0.001 0.000 2.240 201 L HA 0.135 4.475 4.340 0.000 0.000 0.211 201 L C 2.124 178.957 176.870 -0.062 0.000 1.106 201 L CA 1.265 56.094 54.840 -0.017 0.000 0.793 201 L CB -0.289 41.806 42.059 0.059 0.000 0.927 201 L HN 0.572 nan 8.230 nan 0.000 0.446 202 N N 0.054 118.672 118.700 -0.137 0.000 2.230 202 N HA -0.046 4.694 4.740 0.000 0.000 0.202 202 N C 1.439 176.872 175.510 -0.127 0.000 1.119 202 N CA 0.686 53.646 53.050 -0.149 0.000 0.851 202 N CB -0.503 37.809 38.487 -0.292 0.000 0.990 202 N HN 0.288 nan 8.380 nan 0.000 0.497 203 V N -1.711 118.135 119.914 -0.113 0.000 2.660 203 V HA -0.088 4.033 4.120 0.000 0.000 0.257 203 V C 1.444 177.521 176.094 -0.029 0.000 1.088 203 V CA 1.351 63.605 62.300 -0.077 0.000 1.106 203 V CB -0.823 30.971 31.823 -0.048 0.000 0.686 203 V HN 0.245 nan 8.190 nan 0.000 0.481 204 L N -0.200 121.016 121.223 -0.012 0.000 2.818 204 L HA 0.337 4.677 4.340 0.000 0.000 0.243 204 L C 0.917 177.771 176.870 -0.026 0.000 1.185 204 L CA -0.047 54.795 54.840 0.003 0.000 0.988 204 L CB 0.022 42.109 42.059 0.047 0.000 1.292 204 L HN 0.423 nan 8.230 nan 0.000 0.519 205 Q N -0.057 119.732 119.800 -0.019 0.000 2.212 205 Q HA 0.481 4.821 4.340 0.000 0.000 0.238 205 Q C 0.099 176.043 176.000 -0.095 0.000 0.955 205 Q CA -0.329 55.460 55.803 -0.024 0.000 0.906 205 Q CB 1.925 30.731 28.738 0.114 0.000 1.215 205 Q HN 0.251 nan 8.270 nan 0.000 0.478 206 S N -0.954 114.591 115.700 -0.259 0.000 2.811 206 S HA 0.743 5.213 4.470 0.000 0.000 0.311 206 S C 0.225 174.544 174.600 -0.468 0.000 1.152 206 S CA -0.575 57.192 58.200 -0.721 0.000 0.864 206 S CB 0.751 62.964 63.200 -1.645 0.000 1.226 206 S HN 0.735 nan 8.310 nan 0.000 0.541 210 Y N 1.683 121.907 120.300 -0.126 0.000 2.562 210 Y HA 0.293 4.843 4.550 0.000 0.000 0.363 210 Y C -1.815 173.870 175.900 -0.357 0.000 0.991 210 Y CA -1.709 56.241 58.100 -0.251 0.000 1.121 210 Y CB 1.157 39.479 38.460 -0.230 0.000 1.159 210 Y HN -0.134 nan 8.280 nan 0.000 0.651 211 P HA -0.171 nan 4.420 nan 0.000 0.225 211 P C 1.219 178.510 177.300 -0.014 0.000 1.156 211 P CA 1.622 64.697 63.100 -0.042 0.000 0.787 211 P CB 0.123 31.830 31.700 0.011 0.000 0.802 212 H N -1.145 117.987 119.070 0.103 0.000 2.495 212 H HA 0.079 4.635 4.556 0.000 0.000 0.287 212 H C -0.253 175.174 175.328 0.165 0.000 1.033 212 H CA 0.763 56.881 56.048 0.117 0.000 1.307 212 H CB -0.181 29.647 29.762 0.110 0.000 1.401 212 H HN 0.075 nan 8.280 nan 0.000 0.555 213 D N 0.945 121.200 120.400 -0.242 0.000 2.826 213 D HA 0.250 4.890 4.640 0.000 0.000 0.239 213 D C -2.933 173.392 176.300 0.043 0.000 1.329 213 D CA -1.648 52.388 54.000 0.059 0.000 0.854 213 D CB 1.201 42.163 40.800 0.270 0.000 1.494 213 D HN 0.080 nan 8.370 nan 0.000 0.540 214 P HA 0.178 nan 4.420 nan 0.000 0.269 214 P C -0.487 176.964 177.300 0.251 0.000 1.215 214 P CA 0.152 63.285 63.100 0.055 0.000 0.780 214 P CB 0.397 32.116 31.700 0.032 0.000 0.898 215 H N -0.176 118.979 119.070 0.142 0.000 2.895 215 H HA 0.419 4.975 4.556 0.000 0.000 0.373 215 H C -0.651 174.834 175.328 0.261 0.000 1.174 215 H CA -0.669 55.558 56.048 0.299 0.000 1.144 215 H CB 1.213 31.020 29.762 0.075 0.000 1.793 215 H HN 0.403 nan 8.280 nan 0.000 0.551 216 H N 1.006 120.194 119.070 0.196 0.000 2.755 216 H HA 0.375 4.932 4.556 0.000 0.000 0.273 216 H C -0.343 174.812 175.328 -0.288 0.000 1.055 216 H CA 0.008 56.068 56.048 0.020 0.000 1.191 216 H CB 0.885 30.653 29.762 0.011 0.000 1.536 216 H HN 0.237 nan 8.280 nan 0.000 0.529 217 V N 1.951 121.803 119.914 -0.102 0.000 2.569 217 V HA 0.267 4.387 4.120 0.000 0.000 0.301 217 V C -0.769 175.234 176.094 -0.153 0.000 1.044 217 V CA -0.951 61.130 62.300 -0.366 0.000 0.874 217 V CB 1.056 32.856 31.823 -0.038 0.000 1.002 217 V HN 0.114 nan 8.190 nan 0.000 0.424 218 F N 2.608 122.638 119.950 0.133 0.000 2.380 218 F HA 0.484 5.011 4.527 0.000 0.000 0.319 218 F C 1.560 177.418 175.800 0.096 0.000 1.113 218 F CA -0.962 57.119 58.000 0.134 0.000 1.056 218 F CB 0.586 39.649 39.000 0.106 0.000 1.289 218 F HN 0.240 nan 8.300 nan 0.000 0.515 219 V N -0.120 119.960 119.914 0.276 0.000 2.282 219 V HA -0.312 3.808 4.120 0.000 0.000 0.249 219 V C 2.080 178.270 176.094 0.160 0.000 1.057 219 V CA 2.323 64.739 62.300 0.194 0.000 1.032 219 V CB -1.377 30.470 31.823 0.041 0.000 0.645 219 V HN 0.918 nan 8.190 nan 0.000 0.447 220 S N 0.530 116.308 115.700 0.129 0.000 2.402 220 S HA -0.278 4.193 4.470 0.000 0.000 0.233 220 S C 1.504 176.082 174.600 -0.037 0.000 1.030 220 S CA 1.715 59.947 58.200 0.053 0.000 1.003 220 S CB -0.671 62.572 63.200 0.072 0.000 0.813 220 S HN 0.635 nan 8.310 nan 0.000 0.477 221 D N 0.577 120.898 120.400 -0.132 0.000 2.378 221 D HA 0.044 4.684 4.640 0.000 0.000 0.222 221 D C 0.398 176.278 176.300 -0.700 0.000 0.980 221 D CA 0.731 54.462 54.000 -0.449 0.000 0.907 221 D CB -0.219 40.178 40.800 -0.672 0.000 0.899 221 D HN 0.560 nan 8.370 nan 0.000 0.527 222 F N -0.406 119.512 119.950 -0.053 0.000 2.781 222 F HA 0.168 4.695 4.527 0.000 0.000 0.322 222 F C 0.311 176.054 175.800 -0.096 0.000 1.108 222 F CA -0.348 57.605 58.000 -0.078 0.000 1.179 222 F CB 1.003 39.948 39.000 -0.091 0.000 1.072 222 F HN -0.335 nan 8.300 nan 0.000 0.545 223 V N 0.919 120.842 119.914 0.015 0.000 2.513 223 V HA 0.181 4.301 4.120 0.000 0.000 0.299 223 V C 0.278 176.302 176.094 -0.117 0.000 1.035 223 V CA -0.509 61.765 62.300 -0.044 0.000 0.889 223 V CB 1.866 33.676 31.823 -0.022 0.000 0.988 223 V HN 0.127 nan 8.190 nan 0.000 0.440 224 D N 2.373 122.632 120.400 -0.236 0.000 2.216 224 D HA 0.074 4.714 4.640 0.000 0.000 0.208 224 D C -0.087 176.130 176.300 -0.138 0.000 0.960 224 D CA 1.443 55.256 54.000 -0.311 0.000 0.861 224 D CB 0.703 40.972 40.800 -0.885 0.000 0.985 224 D HN 0.399 nan 8.370 nan 0.000 0.493 225 F N 1.147 120.931 119.950 -0.278 0.000 2.585 225 F HA 0.190 4.717 4.527 0.000 0.000 0.319 225 F C -0.767 174.984 175.800 -0.080 0.000 1.165 225 F CA -0.754 57.161 58.000 -0.142 0.000 0.949 225 F CB 1.578 40.525 39.000 -0.089 0.000 1.218 225 F HN -0.304 nan 8.300 nan 0.000 0.453 226 S N 6.310 121.882 115.700 -0.213 0.000 2.472 226 S HA 0.814 5.284 4.470 0.000 0.000 0.303 226 S C -0.925 173.669 174.600 -0.011 0.000 1.099 226 S CA -0.619 57.559 58.200 -0.035 0.000 1.077 226 S CB 1.692 64.863 63.200 -0.049 0.000 1.031 226 S HN 0.550 nan 8.310 nan 0.000 0.487 227 I N 3.121 123.776 120.570 0.142 0.000 2.418 227 I HA 0.353 4.523 4.170 0.000 0.000 0.287 227 I C -1.183 175.029 176.117 0.159 0.000 1.008 227 I CA -0.765 60.646 61.300 0.184 0.000 1.104 227 I CB 1.620 39.761 38.000 0.234 0.000 1.264 227 I HN 0.815 nan 8.210 nan 0.000 0.438 228 Y N 6.655 126.974 120.300 0.033 0.000 2.331 228 Y HA 0.578 5.128 4.550 0.000 0.000 0.338 228 Y C -0.658 175.257 175.900 0.024 0.000 0.992 228 Y CA -0.845 57.266 58.100 0.018 0.000 1.121 228 Y CB 1.365 39.818 38.460 -0.011 0.000 1.184 228 Y HN 0.234 nan 8.280 nan 0.000 0.469 229 V N 6.588 126.466 119.914 -0.059 0.000 2.334 229 V HA 0.175 4.295 4.120 0.000 0.000 0.267 229 V C -0.304 175.889 176.094 0.165 0.000 1.040 229 V CA -0.377 61.967 62.300 0.073 0.000 0.866 229 V CB 0.655 32.491 31.823 0.022 0.000 1.019 229 V HN 0.731 nan 8.190 nan 0.000 0.468 230 D N 3.121 123.718 120.400 0.330 0.000 2.384 230 D HA 0.892 5.532 4.640 0.000 0.000 0.250 230 D C -0.289 176.124 176.300 0.187 0.000 1.029 230 D CA 0.048 54.251 54.000 0.339 0.000 0.990 230 D CB 2.171 43.111 40.800 0.233 0.000 1.175 230 D HN 0.832 nan 8.370 nan 0.000 0.532 231 A N 1.075 123.967 122.820 0.119 0.000 2.586 231 A HA 0.489 4.809 4.320 0.000 0.000 0.296 231 A C -2.828 174.718 177.584 -0.062 0.000 1.040 231 A CA -1.089 50.941 52.037 -0.010 0.000 0.701 231 A CB 0.912 19.852 19.000 -0.099 0.000 1.277 231 A HN 0.431 nan 8.150 nan 0.000 0.413 232 P HA 0.122 nan 4.420 nan 0.000 0.267 232 P C 0.684 177.926 177.300 -0.097 0.000 1.200 232 P CA 0.382 63.430 63.100 -0.087 0.000 0.772 232 P CB 0.767 32.406 31.700 -0.101 0.000 0.855 233 E N 1.531 121.736 120.200 0.009 0.000 2.068 233 E HA -0.291 4.059 4.350 0.000 0.000 0.207 233 E C 1.581 178.165 176.600 -0.027 0.000 1.032 233 E CA 2.406 58.871 56.400 0.108 0.000 0.839 233 E CB -0.250 29.587 29.700 0.229 0.000 0.758 233 E HN 0.592 nan 8.360 nan 0.000 0.457 234 D N 0.196 120.544 120.400 -0.086 0.000 2.172 234 D HA -0.238 4.403 4.640 0.000 0.000 0.196 234 D C 2.003 178.111 176.300 -0.320 0.000 0.999 234 D CA 1.022 54.918 54.000 -0.173 0.000 0.856 234 D CB -0.403 40.312 40.800 -0.142 0.000 0.934 234 D HN 0.179 nan 8.370 nan 0.000 0.453 235 L N 0.728 121.700 121.223 -0.418 0.000 2.005 235 L HA -0.051 4.289 4.340 0.000 0.000 0.207 235 L C 2.764 179.073 176.870 -0.936 0.000 1.072 235 L CA 1.084 55.463 54.840 -0.769 0.000 0.744 235 L CB -0.848 40.648 42.059 -0.940 0.000 0.895 235 L HN 0.061 nan 8.230 nan 0.000 0.433 236 L N -0.965 119.881 121.223 -0.628 0.000 2.081 236 L HA -0.314 4.026 4.340 0.000 0.000 0.212 236 L C 2.560 179.062 176.870 -0.613 0.000 1.080 236 L CA 1.769 56.392 54.840 -0.360 0.000 0.754 236 L CB -0.733 41.325 42.059 -0.001 0.000 0.893 236 L HN 0.478 nan 8.230 nan 0.000 0.433 237 Q N 0.166 119.473 119.800 -0.823 0.000 2.002 237 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 237 Q C 2.062 177.720 176.000 -0.570 0.000 0.988 237 Q CA 2.771 57.879 55.803 -1.158 0.000 0.843 237 Q CB -0.134 28.125 28.738 -0.798 0.000 0.908 237 Q HN 0.418 nan 8.270 nan 0.000 0.420 238 T N 0.168 114.487 114.554 -0.392 0.000 2.665 238 T HA -0.199 4.151 4.350 0.000 0.000 0.268 238 T C 1.215 175.932 174.700 0.028 0.000 1.035 238 T CA 1.503 63.494 62.100 -0.182 0.000 1.151 238 T CB -0.513 68.247 68.868 -0.181 0.000 0.862 238 T HN 0.438 nan 8.240 nan 0.000 0.438 239 W N 0.749 121.985 121.300 -0.106 0.000 2.338 239 W HA -0.024 4.636 4.660 0.000 0.000 0.304 239 W C 2.232 178.733 176.519 -0.030 0.000 1.212 239 W CA -0.213 57.117 57.345 -0.025 0.000 1.264 239 W CB -1.599 27.871 29.460 0.016 0.000 1.142 239 W HN 0.331 nan 8.180 nan 0.000 0.512 240 Y N 0.681 120.985 120.300 0.007 0.000 2.114 240 Y HA -0.245 4.305 4.550 0.000 0.000 0.284 240 Y C 2.425 178.326 175.900 0.001 0.000 1.143 240 Y CA 2.124 60.205 58.100 -0.032 0.000 1.135 240 Y CB -0.864 37.490 38.460 -0.177 0.000 0.980 240 Y HN -0.185 nan 8.280 nan 0.000 0.499 241 I N 0.558 121.103 120.570 -0.042 0.000 2.118 241 I HA -0.414 3.756 4.170 0.000 0.000 0.241 241 I C 2.594 178.723 176.117 0.019 0.000 1.070 241 I CA 2.025 63.290 61.300 -0.059 0.000 1.327 241 I CB -0.767 37.209 38.000 -0.040 0.000 1.034 241 I HN 0.434 nan 8.210 nan 0.000 0.405 242 N N 1.337 120.063 118.700 0.043 0.000 2.104 242 N HA -0.269 4.471 4.740 0.000 0.000 0.190 242 N C 2.155 177.680 175.510 0.026 0.000 1.024 242 N CA 1.570 54.657 53.050 0.061 0.000 0.853 242 N CB -0.059 38.488 38.487 0.101 0.000 1.008 242 N HN 0.305 nan 8.380 nan 0.000 0.424 243 R N -0.249 120.223 120.500 -0.047 0.000 2.083 243 R HA -0.177 4.163 4.340 0.000 0.000 0.237 243 R C 2.314 178.530 176.300 -0.140 0.000 1.137 243 R CA 1.448 57.443 56.100 -0.175 0.000 0.951 243 R CB -0.634 29.456 30.300 -0.349 0.000 0.851 243 R HN 0.270 nan 8.270 nan 0.000 0.434 244 F N 0.993 120.768 119.950 -0.292 0.000 2.095 244 F HA -0.227 4.300 4.527 0.000 0.000 0.298 244 F C 1.809 177.661 175.800 0.085 0.000 1.104 244 F CA 1.321 59.289 58.000 -0.053 0.000 1.232 244 F CB -0.317 38.522 39.000 -0.268 0.000 0.987 244 F HN 0.044 nan 8.300 nan 0.000 0.475 245 L N 0.802 122.136 121.223 0.185 0.000 2.012 245 L HA -0.226 4.114 4.340 0.000 0.000 0.210 245 L C 2.311 179.192 176.870 0.017 0.000 1.073 245 L CA 1.862 56.755 54.840 0.087 0.000 0.748 245 L CB -1.021 41.105 42.059 0.113 0.000 0.891 245 L HN 0.124 nan 8.230 nan 0.000 0.431 246 K N -1.033 119.406 120.400 0.064 0.000 1.980 246 K HA -0.135 4.185 4.320 0.000 0.000 0.208 246 K C 2.070 178.747 176.600 0.128 0.000 1.043 246 K CA 1.704 58.038 56.287 0.079 0.000 0.938 246 K CB -0.559 31.988 32.500 0.078 0.000 0.724 246 K HN 0.357 nan 8.250 nan 0.000 0.438 247 F N 0.470 120.368 119.950 -0.086 0.000 2.699 247 F HA 0.104 4.631 4.527 0.000 0.000 0.298 247 F C 1.745 177.428 175.800 -0.196 0.000 1.154 247 F CA 0.326 58.281 58.000 -0.076 0.000 1.457 247 F CB 0.312 39.283 39.000 -0.049 0.000 1.106 247 F HN -0.159 nan 8.300 nan 0.000 0.585 248 R N 0.105 120.398 120.500 -0.346 0.000 2.544 248 R HA 0.185 4.525 4.340 0.000 0.000 0.303 248 R C 1.453 177.449 176.300 -0.508 0.000 0.939 248 R CA 0.257 55.919 56.100 -0.730 0.000 1.102 248 R CB -0.254 29.381 30.300 -1.108 0.000 1.440 248 R HN 0.390 nan 8.270 nan 0.000 0.532 249 E N -1.517 118.478 120.200 -0.341 0.000 2.192 249 E HA 0.149 4.499 4.350 0.000 0.000 0.196 249 E C 0.728 177.290 176.600 -0.062 0.000 0.922 249 E CA 0.696 56.983 56.400 -0.188 0.000 0.924 249 E CB 0.322 29.949 29.700 -0.121 0.000 0.911 249 E HN 0.221 nan 8.360 nan 0.000 0.478 250 G N 0.230 109.015 108.800 -0.026 0.000 3.383 250 G HA2 0.216 4.176 3.960 0.000 0.000 0.251 250 G HA3 0.216 4.176 3.960 0.000 0.000 0.251 250 G C 0.832 175.769 174.900 0.062 0.000 1.203 250 G CA 0.446 45.565 45.100 0.031 0.000 0.852 250 G HN 0.232 nan 8.290 nan 0.000 0.531 251 A N -0.543 122.301 122.820 0.040 0.000 2.259 251 A HA 0.455 4.775 4.320 0.000 0.000 0.208 251 A C 1.254 178.973 177.584 0.226 0.000 1.201 251 A CA 0.258 52.347 52.037 0.087 0.000 0.824 251 A CB -0.656 18.320 19.000 -0.039 0.000 0.838 251 A HN 0.876 nan 8.150 nan 0.000 0.485 252 F N -0.348 119.605 119.950 0.005 0.000 2.700 252 F HA -0.399 4.128 4.527 0.000 0.000 0.511 252 F C 1.289 177.132 175.800 0.072 0.000 0.534 252 F CA 1.780 59.802 58.000 0.037 0.000 0.872 252 F CB -2.007 37.018 39.000 0.042 0.000 1.625 252 F HN 0.648 nan 8.300 nan 0.000 0.264 253 T N 0.638 115.278 114.554 0.142 0.000 3.397 253 T HA -0.286 4.064 4.350 0.000 0.000 0.401 253 T C 0.038 174.818 174.700 0.133 0.000 0.769 253 T CA 0.940 63.093 62.100 0.087 0.000 1.981 253 T CB -2.510 66.364 68.868 0.011 0.000 1.714 253 T HN 0.999 nan 8.240 nan 0.000 0.632 254 D N -0.100 120.315 120.400 0.025 0.000 3.360 254 D HA -0.044 4.596 4.640 0.000 0.000 0.192 254 D C -1.119 175.096 176.300 -0.142 0.000 1.037 254 D CA -0.436 53.480 54.000 -0.140 0.000 0.720 254 D CB 0.146 40.925 40.800 -0.035 0.000 1.140 254 D HN 0.216 nan 8.370 nan 0.000 0.529 255 P HA -0.214 nan 4.420 nan 0.000 0.223 255 P C 0.395 177.474 177.300 -0.368 0.000 1.138 255 P CA 1.079 63.648 63.100 -0.885 0.000 0.787 255 P CB 0.111 31.348 31.700 -0.770 0.000 0.752 256 D N -1.541 118.753 120.400 -0.177 0.000 2.216 256 D HA -0.030 4.610 4.640 0.000 0.000 0.208 256 D C 0.702 176.994 176.300 -0.013 0.000 0.960 256 D CA 0.578 54.528 54.000 -0.084 0.000 0.861 256 D CB -0.545 40.224 40.800 -0.052 0.000 0.985 256 D HN 0.175 nan 8.370 nan 0.000 0.493 257 S N 0.453 116.180 115.700 0.044 0.000 2.575 257 S HA -0.133 4.337 4.470 0.000 0.000 0.295 257 S C 1.273 175.926 174.600 0.090 0.000 1.267 257 S CA -0.589 57.685 58.200 0.124 0.000 1.074 257 S CB 0.177 63.485 63.200 0.180 0.000 0.829 257 S HN 0.345 nan 8.310 nan 0.000 0.497 258 Y N 3.855 124.082 120.300 -0.121 0.000 2.365 258 Y HA -0.132 4.418 4.550 0.000 0.000 0.287 258 Y C 0.747 176.390 175.900 -0.429 0.000 1.162 258 Y CA 1.316 59.227 58.100 -0.316 0.000 1.260 258 Y CB -0.225 37.953 38.460 -0.469 0.000 0.976 258 Y HN 0.746 nan 8.280 nan 0.000 0.548 259 F N -0.568 119.407 119.950 0.042 0.000 2.668 259 F HA 0.124 4.651 4.527 0.000 0.000 0.297 259 F C 2.173 177.854 175.800 -0.197 0.000 1.124 259 F CA 0.061 57.957 58.000 -0.174 0.000 1.353 259 F CB -0.528 38.458 39.000 -0.022 0.000 0.992 259 F HN 0.244 nan 8.300 nan 0.000 0.524 260 H N 0.889 119.911 119.070 -0.080 0.000 2.394 260 H HA -0.203 4.353 4.556 0.000 0.000 0.297 260 H C 1.642 176.922 175.328 -0.079 0.000 1.113 260 H CA 1.655 57.655 56.048 -0.080 0.000 1.277 260 H CB 0.217 29.912 29.762 -0.112 0.000 1.370 260 H HN 0.200 nan 8.280 nan 0.000 0.506 261 N N 0.431 118.991 118.700 -0.234 0.000 2.348 261 N HA -0.164 4.576 4.740 0.000 0.000 0.185 261 N C 1.400 176.858 175.510 -0.087 0.000 1.019 261 N CA 0.849 53.764 53.050 -0.225 0.000 0.880 261 N CB -0.539 37.830 38.487 -0.197 0.000 0.965 261 N HN 0.605 nan 8.380 nan 0.000 0.437 262 Y N 0.264 120.523 120.300 -0.069 0.000 2.571 262 Y HA -0.027 4.523 4.550 0.000 0.000 0.294 262 Y C 2.232 178.049 175.900 -0.139 0.000 1.141 262 Y CA -0.039 58.032 58.100 -0.049 0.000 1.308 262 Y CB 0.151 38.583 38.460 -0.048 0.000 1.002 262 Y HN 0.075 nan 8.280 nan 0.000 0.551 263 A N 1.525 124.290 122.820 -0.091 0.000 1.877 263 A HA -0.232 4.088 4.320 0.000 0.000 0.216 263 A C 2.199 179.733 177.584 -0.083 0.000 1.186 263 A CA 1.864 53.813 52.037 -0.147 0.000 0.620 263 A CB -0.511 18.280 19.000 -0.347 0.000 0.822 263 A HN 0.479 nan 8.150 nan 0.000 0.443 264 K N -0.081 120.260 120.400 -0.099 0.000 2.442 264 K HA 0.047 4.367 4.320 0.000 0.000 0.198 264 K C 0.342 176.952 176.600 0.015 0.000 1.042 264 K CA 0.163 56.428 56.287 -0.036 0.000 0.958 264 K CB -0.638 31.839 32.500 -0.039 0.000 0.766 264 K HN 0.424 nan 8.250 nan 0.000 0.474 265 L N 3.662 124.913 121.223 0.047 0.000 2.525 265 L HA -0.022 4.318 4.340 0.000 0.000 0.278 265 L C 0.694 177.595 176.870 0.051 0.000 1.218 265 L CA 0.224 55.109 54.840 0.075 0.000 0.878 265 L CB 0.495 42.624 42.059 0.117 0.000 1.127 265 L HN 0.379 nan 8.230 nan 0.000 0.492 266 T N 0.139 114.724 114.554 0.051 0.000 2.918 266 T HA 0.214 4.564 4.350 0.000 0.000 0.283 266 T C 1.132 175.861 174.700 0.049 0.000 1.001 266 T CA -1.021 61.104 62.100 0.041 0.000 1.041 266 T CB 1.527 70.415 68.868 0.034 0.000 1.028 266 T HN 0.612 nan 8.240 nan 0.000 0.511 267 K N 1.593 122.019 120.400 0.043 0.000 2.015 267 K HA -0.312 4.008 4.320 0.000 0.000 0.220 267 K C 1.821 178.449 176.600 0.047 0.000 1.055 267 K CA 2.416 58.732 56.287 0.047 0.000 0.951 267 K CB -1.201 31.320 32.500 0.035 0.000 0.725 267 K HN 0.811 nan 8.250 nan 0.000 0.449 268 E N 1.524 121.743 120.200 0.033 0.000 2.097 268 E HA -0.208 4.142 4.350 0.000 0.000 0.196 268 E C 2.006 178.619 176.600 0.023 0.000 1.000 268 E CA 1.962 58.376 56.400 0.023 0.000 0.804 268 E CB -0.162 29.548 29.700 0.017 0.000 0.740 268 E HN 0.591 nan 8.360 nan 0.000 0.454 269 E N -0.250 119.971 120.200 0.034 0.000 2.106 269 E HA -0.129 4.221 4.350 0.000 0.000 0.192 269 E C 2.062 178.688 176.600 0.042 0.000 0.984 269 E CA 0.898 57.319 56.400 0.036 0.000 0.806 269 E CB -0.233 29.497 29.700 0.050 0.000 0.750 269 E HN 0.452 nan 8.360 nan 0.000 0.458 270 A N 1.188 124.065 122.820 0.096 0.000 1.883 270 A HA -0.209 4.111 4.320 0.000 0.000 0.217 270 A C 2.166 179.796 177.584 0.077 0.000 1.186 270 A CA 1.223 53.403 52.037 0.238 0.000 0.624 270 A CB -0.656 18.509 19.000 0.273 0.000 0.822 270 A HN 0.168 nan 8.150 nan 0.000 0.444 271 I N -0.862 119.730 120.570 0.036 0.000 2.163 271 I HA -0.257 3.913 4.170 0.000 0.000 0.243 271 I C 2.610 178.664 176.117 -0.105 0.000 1.085 271 I CA 1.422 62.700 61.300 -0.038 0.000 1.347 271 I CB -0.196 37.798 38.000 -0.010 0.000 1.044 271 I HN 0.184 nan 8.210 nan 0.000 0.408 272 K N 0.549 120.908 120.400 -0.068 0.000 2.032 272 K HA -0.163 4.157 4.320 0.000 0.000 0.209 272 K C 2.110 178.640 176.600 -0.118 0.000 1.048 272 K CA 1.972 58.218 56.287 -0.067 0.000 0.927 272 K CB -0.659 31.824 32.500 -0.029 0.000 0.712 272 K HN 0.279 nan 8.250 nan 0.000 0.441 273 T N 1.485 115.927 114.554 -0.186 0.000 2.674 273 T HA -0.054 4.296 4.350 0.000 0.000 0.265 273 T C 1.185 175.594 174.700 -0.484 0.000 1.039 273 T CA 1.061 62.988 62.100 -0.289 0.000 1.150 273 T CB -0.382 68.273 68.868 -0.355 0.000 0.864 273 T HN 0.419 nan 8.240 nan 0.000 0.427 277 L N 1.230 122.513 121.223 0.101 0.000 2.012 277 L HA -0.030 4.310 4.340 0.000 0.000 0.210 277 L C 2.399 179.388 176.870 0.199 0.000 1.073 277 L CA 1.839 56.790 54.840 0.186 0.000 0.748 277 L CB -0.356 41.848 42.059 0.242 0.000 0.891 277 L HN 0.466 nan 8.230 nan 0.000 0.431 278 W N 1.676 122.999 121.300 0.040 0.000 2.352 278 W HA -0.223 4.437 4.660 0.000 0.000 0.322 278 W C 2.360 178.880 176.519 0.001 0.000 1.208 278 W CA 1.607 58.848 57.345 -0.172 0.000 1.286 278 W CB -0.233 29.128 29.460 -0.165 0.000 1.167 278 W HN 0.062 nan 8.180 nan 0.000 0.469 279 K N 0.230 120.706 120.400 0.126 0.000 2.127 279 K HA -0.243 4.077 4.320 0.000 0.000 0.208 279 K C 1.760 178.360 176.600 0.001 0.000 1.047 279 K CA 2.107 58.378 56.287 -0.025 0.000 0.927 279 K CB -0.431 32.064 32.500 -0.009 0.000 0.716 279 K HN 0.405 nan 8.250 nan 0.000 0.450 280 E N -0.615 119.604 120.200 0.032 0.000 2.364 280 E HA 0.110 4.460 4.350 0.000 0.000 0.196 280 E C 1.654 178.291 176.600 0.061 0.000 0.990 280 E CA 0.232 56.664 56.400 0.053 0.000 0.886 280 E CB 0.437 30.169 29.700 0.054 0.000 0.866 280 E HN 0.215 nan 8.360 nan 0.000 0.493 281 I N -0.084 120.514 120.570 0.046 0.000 3.738 281 I HA -0.054 4.117 4.170 0.000 0.000 0.250 281 I C 1.589 177.757 176.117 0.085 0.000 1.117 281 I CA -0.096 61.274 61.300 0.117 0.000 1.624 281 I CB 0.157 38.237 38.000 0.133 0.000 1.637 281 I HN -0.068 nan 8.210 nan 0.000 0.431 282 N N 0.590 119.228 118.700 -0.103 0.000 2.166 282 N HA -0.249 4.491 4.740 0.000 0.000 0.186 282 N C 1.647 176.627 175.510 -0.882 0.000 1.019 282 N CA 1.631 54.448 53.050 -0.389 0.000 0.856 282 N CB -0.194 38.020 38.487 -0.455 0.000 0.993 282 N HN 0.438 nan 8.380 nan 0.000 0.426 283 W N 2.433 122.872 121.300 -1.435 0.000 2.363 283 W HA -0.023 4.637 4.660 0.000 0.000 0.296 283 W C 1.920 178.020 176.519 -0.699 0.000 1.212 283 W CA 0.634 57.043 57.345 -1.560 0.000 1.260 283 W CB -0.268 28.360 29.460 -1.387 0.000 1.131 283 W HN -0.075 nan 8.180 nan 0.000 0.530 284 L N 0.995 121.928 121.223 -0.484 0.000 2.046 284 L HA -0.238 4.102 4.340 0.000 0.000 0.208 284 L C 2.220 178.789 176.870 -0.502 0.000 1.077 284 L CA 2.178 56.760 54.840 -0.430 0.000 0.747 284 L CB -1.850 40.172 42.059 -0.062 0.000 0.896 284 L HN 0.145 nan 8.230 nan 0.000 0.432 285 N N 0.494 118.867 118.700 -0.546 0.000 2.084 285 N HA -0.216 4.524 4.740 0.000 0.000 0.190 285 N C 1.878 177.048 175.510 -0.568 0.000 1.030 285 N CA 1.460 54.031 53.050 -0.798 0.000 0.849 285 N CB -0.206 37.664 38.487 -1.028 0.000 1.012 285 N HN 0.278 nan 8.380 nan 0.000 0.423 286 L N 0.787 121.687 121.223 -0.537 0.000 1.961 286 L HA -0.112 4.228 4.340 0.000 0.000 0.210 286 L C 2.119 178.739 176.870 -0.416 0.000 1.072 286 L CA 1.800 56.409 54.840 -0.385 0.000 0.749 286 L CB -0.747 41.113 42.059 -0.331 0.000 0.889 286 L HN -0.060 nan 8.230 nan 0.000 0.432 287 K N -0.045 119.960 120.400 -0.657 0.000 2.077 287 K HA -0.270 4.050 4.320 0.000 0.000 0.213 287 K C 2.100 178.451 176.600 -0.414 0.000 1.051 287 K CA 2.500 58.403 56.287 -0.640 0.000 0.929 287 K CB -0.312 31.535 32.500 -1.088 0.000 0.715 287 K HN 0.836 nan 8.250 nan 0.000 0.451 288 Q N -2.329 117.238 119.800 -0.390 0.000 2.280 288 Q HA 0.186 4.526 4.340 0.000 0.000 0.228 288 Q C 0.827 176.688 176.000 -0.233 0.000 0.857 288 Q CA 0.174 55.814 55.803 -0.272 0.000 0.939 288 Q CB 0.463 29.061 28.738 -0.233 0.000 1.114 288 Q HN 0.084 nan 8.270 nan 0.000 0.514 289 N N 0.175 118.712 118.700 -0.271 0.000 2.332 289 N HA 0.272 5.012 4.740 0.000 0.000 0.190 289 N C 1.352 176.767 175.510 -0.158 0.000 1.117 289 N CA 0.398 53.311 53.050 -0.228 0.000 0.883 289 N CB 0.858 39.161 38.487 -0.307 0.000 1.089 289 N HN 0.239 nan 8.380 nan 0.000 0.480 290 I N -0.136 120.345 120.570 -0.149 0.000 3.196 290 I HA -0.008 4.162 4.170 0.000 0.000 0.248 290 I C 1.937 178.095 176.117 0.067 0.000 1.105 290 I CA 0.040 61.320 61.300 -0.034 0.000 1.482 290 I CB -0.149 37.825 38.000 -0.044 0.000 1.400 290 I HN -0.110 nan 8.210 nan 0.000 0.464 291 L N 2.856 124.088 121.223 0.015 0.000 2.021 291 L HA -0.153 4.187 4.340 0.000 0.000 0.215 291 L C -0.704 176.112 176.870 -0.090 0.000 1.074 291 L CA 2.592 57.428 54.840 -0.007 0.000 0.760 291 L CB -1.693 40.318 42.059 -0.080 0.000 0.889 291 L HN 0.083 nan 8.230 nan 0.000 0.433 292 P HA -0.112 nan 4.420 nan 0.000 0.223 292 P C 1.342 178.584 177.300 -0.096 0.000 1.144 292 P CA 1.762 64.797 63.100 -0.108 0.000 0.783 292 P CB -0.384 31.247 31.700 -0.115 0.000 0.771 293 T N -4.264 110.256 114.554 -0.057 0.000 3.086 293 T HA 0.106 4.456 4.350 0.000 0.000 0.250 293 T C 1.783 176.456 174.700 -0.046 0.000 1.074 293 T CA -0.233 61.848 62.100 -0.032 0.000 0.988 293 T CB -0.406 68.474 68.868 0.021 0.000 0.988 293 T HN -0.042 nan 8.240 nan 0.000 0.530 294 R N 1.770 122.133 120.500 -0.228 0.000 2.094 294 R HA -0.134 4.206 4.340 0.000 0.000 0.239 294 R C 1.974 178.105 176.300 -0.283 0.000 1.137 294 R CA 2.120 57.838 56.100 -0.636 0.000 0.943 294 R CB -0.214 29.455 30.300 -1.051 0.000 0.850 294 R HN 0.504 nan 8.270 nan 0.000 0.433 295 E N 0.422 120.525 120.200 -0.162 0.000 2.515 295 E HA -0.173 4.177 4.350 0.000 0.000 0.201 295 E C 1.335 177.966 176.600 0.051 0.000 1.071 295 E CA 0.698 57.107 56.400 0.015 0.000 0.880 295 E CB -0.180 29.526 29.700 0.010 0.000 0.828 295 E HN 0.465 nan 8.360 nan 0.000 0.540 296 R N 0.631 121.130 120.500 -0.002 0.000 2.310 296 R HA 0.240 4.580 4.340 0.000 0.000 0.202 296 R C 0.798 177.103 176.300 0.007 0.000 0.933 296 R CA 0.279 56.373 56.100 -0.010 0.000 1.054 296 R CB 0.307 30.591 30.300 -0.027 0.000 0.985 296 R HN 0.034 nan 8.270 nan 0.000 0.489 297 A N 0.275 123.130 122.820 0.059 0.000 2.332 297 A HA 0.219 4.539 4.320 0.000 0.000 0.258 297 A C 0.954 178.556 177.584 0.030 0.000 1.087 297 A CA -0.282 51.791 52.037 0.059 0.000 0.802 297 A CB 0.880 19.951 19.000 0.117 0.000 1.042 297 A HN 0.088 nan 8.150 nan 0.000 0.489 298 S N -0.498 115.101 115.700 -0.167 0.000 2.406 298 S HA 0.150 4.620 4.470 0.000 0.000 0.224 298 S C 0.477 174.991 174.600 -0.144 0.000 1.030 298 S CA 0.901 58.872 58.200 -0.383 0.000 0.958 298 S CB -0.302 62.231 63.200 -1.112 0.000 0.811 298 S HN 0.669 nan 8.310 nan 0.000 0.489 299 L N 0.537 121.735 121.223 -0.041 0.000 2.445 299 L HA 0.625 4.965 4.340 0.000 0.000 0.262 299 L C -2.013 174.924 176.870 0.112 0.000 0.974 299 L CA -0.725 54.211 54.840 0.159 0.000 0.822 299 L CB 1.672 43.911 42.059 0.300 0.000 1.339 299 L HN 0.012 nan 8.230 nan 0.000 0.409 300 I N 4.612 125.189 120.570 0.012 0.000 2.509 300 I HA 0.437 4.607 4.170 0.000 0.000 0.293 300 I C -0.919 175.178 176.117 -0.034 0.000 1.020 300 I CA -0.608 60.671 61.300 -0.035 0.000 1.088 300 I CB 2.055 39.907 38.000 -0.247 0.000 1.267 300 I HN 0.479 nan 8.210 nan 0.000 0.430 301 L N 5.127 126.367 121.223 0.028 0.000 2.313 301 L HA 0.516 4.856 4.340 0.000 0.000 0.283 301 L C -0.497 176.388 176.870 0.025 0.000 1.013 301 L CA -0.411 54.420 54.840 -0.015 0.000 0.816 301 L CB 1.950 44.020 42.059 0.018 0.000 1.236 301 L HN 0.539 nan 8.230 nan 0.000 0.419 302 T N 2.769 117.313 114.554 -0.017 0.000 2.772 302 T HA 0.399 4.749 4.350 0.000 0.000 0.288 302 T C -0.235 174.482 174.700 0.027 0.000 0.994 302 T CA -0.693 61.413 62.100 0.011 0.000 0.951 302 T CB 1.264 70.117 68.868 -0.024 0.000 0.933 302 T HN 0.395 nan 8.240 nan 0.000 0.447 303 K N 1.703 122.154 120.400 0.083 0.000 2.123 303 K HA 0.678 4.998 4.320 0.000 0.000 0.248 303 K C 0.396 177.051 176.600 0.092 0.000 0.969 303 K CA -0.773 55.587 56.287 0.121 0.000 0.882 303 K CB 1.310 33.955 32.500 0.242 0.000 1.080 303 K HN 0.690 nan 8.250 nan 0.000 0.441 304 S N -0.019 115.742 115.700 0.101 0.000 2.745 304 S HA 0.399 4.869 4.470 0.000 0.000 0.292 304 S C 1.206 175.879 174.600 0.123 0.000 1.133 304 S CA -0.336 57.902 58.200 0.063 0.000 0.998 304 S CB 1.489 64.721 63.200 0.055 0.000 1.087 304 S HN 0.659 nan 8.310 nan 0.000 0.551 305 A N 1.044 123.900 122.820 0.059 0.000 2.023 305 A HA -0.213 4.107 4.320 0.000 0.000 0.223 305 A C 1.542 179.307 177.584 0.303 0.000 1.180 305 A CA 1.967 54.066 52.037 0.103 0.000 0.659 305 A CB -1.206 17.819 19.000 0.043 0.000 0.817 305 A HN 0.885 nan 8.150 nan 0.000 0.466 306 N N -1.655 117.195 118.700 0.250 0.000 2.321 306 N HA 0.113 4.853 4.740 0.000 0.000 0.242 306 N C -0.601 175.103 175.510 0.323 0.000 1.141 306 N CA 0.022 53.241 53.050 0.281 0.000 0.864 306 N CB 0.105 38.697 38.487 0.174 0.000 1.100 306 N HN 0.554 nan 8.380 nan 0.000 0.510 307 H N -1.525 117.683 119.070 0.230 0.000 3.395 307 H HA -0.165 4.391 4.556 0.000 0.000 0.222 307 H C 0.315 175.706 175.328 0.105 0.000 1.099 307 H CA 0.687 56.791 56.048 0.093 0.000 1.182 307 H CB -1.282 28.408 29.762 -0.121 0.000 1.188 307 H HN 0.352 nan 8.280 nan 0.000 0.317 308 A N 1.331 124.259 122.820 0.180 0.000 2.401 308 A HA 0.460 4.780 4.320 0.000 0.000 0.259 308 A C 0.792 178.421 177.584 0.075 0.000 1.103 308 A CA -0.111 51.995 52.037 0.115 0.000 0.789 308 A CB 0.655 19.710 19.000 0.091 0.000 1.035 308 A HN 0.125 nan 8.150 nan 0.000 0.491 309 V N 3.513 123.435 119.914 0.012 0.000 2.455 309 V HA 0.136 4.256 4.120 0.000 0.000 0.273 309 V C 0.692 176.759 176.094 -0.045 0.000 1.045 309 V CA -0.020 62.254 62.300 -0.044 0.000 0.976 309 V CB 0.645 32.365 31.823 -0.171 0.000 0.993 309 V HN 1.020 nan 8.190 nan 0.000 0.475 310 E N 2.854 123.040 120.200 -0.023 0.000 2.251 310 E HA 0.165 4.515 4.350 0.000 0.000 0.194 310 E C 0.304 176.896 176.600 -0.015 0.000 0.964 310 E CA 0.406 56.802 56.400 -0.007 0.000 0.868 310 E CB 0.797 30.502 29.700 0.008 0.000 0.828 310 E HN 0.829 nan 8.360 nan 0.000 0.481 311 E N -0.441 119.731 120.200 -0.047 0.000 2.393 311 E HA 0.562 4.912 4.350 0.000 0.000 0.273 311 E C -1.308 175.222 176.600 -0.117 0.000 0.918 311 E CA -0.716 55.660 56.400 -0.040 0.000 0.773 311 E CB 3.184 32.868 29.700 -0.027 0.000 1.275 311 E HN -0.261 nan 8.360 nan 0.000 0.451 312 V N 1.608 121.481 119.914 -0.068 0.000 2.711 312 V HA 0.480 4.600 4.120 0.000 0.000 0.304 312 V C -1.026 175.129 176.094 0.102 0.000 1.097 312 V CA -0.796 61.421 62.300 -0.138 0.000 0.906 312 V CB 1.865 33.337 31.823 -0.585 0.000 1.015 312 V HN 0.548 nan 8.190 nan 0.000 0.427 313 R N 3.696 124.220 120.500 0.041 0.000 2.534 313 R HA 0.783 5.123 4.340 0.000 0.000 0.301 313 R C -1.268 175.210 176.300 0.297 0.000 0.961 313 R CA -0.547 55.615 56.100 0.103 0.000 0.871 313 R CB 2.538 32.719 30.300 -0.197 0.000 1.170 313 R HN 0.656 nan 8.270 nan 0.000 0.446 314 L N 2.236 123.731 121.223 0.455 0.000 2.362 314 L HA 0.514 4.854 4.340 0.000 0.000 0.275 314 L C -0.313 176.764 176.870 0.344 0.000 0.998 314 L CA -0.832 54.285 54.840 0.461 0.000 0.820 314 L CB 1.244 43.626 42.059 0.539 0.000 1.270 314 L HN 0.460 nan 8.230 nan 0.000 0.415 315 R N 3.718 124.296 120.500 0.129 0.000 2.583 315 R HA 0.048 4.389 4.340 0.000 0.000 0.274 315 R C -0.121 176.167 176.300 -0.021 0.000 0.998 315 R CA 0.194 56.171 56.100 -0.205 0.000 1.081 315 R CB 0.347 30.456 30.300 -0.318 0.000 0.940 315 R HN 0.653 nan 8.270 nan 0.000 0.413 316 K N 0.000 120.357 120.400 -0.071 0.000 2.780 316 K HA 0.000 4.320 4.320 0.000 0.000 0.191 316 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 316 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543