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 2pvs_1_A DATA FIRST_RESID -2 DATA SEQUENCE KEXVcYGQLG cFSDEKPWAG TLQRPVKLLP WSPEDIDTRF LLYTNENPNN DATA SEQUENCE FQLITGTEPD TIEASNFQLD RKTRFIIHGF LDKAEDSWPS DMcKKMFEVE DATA SEQUENCE KVNcICVDWR HGSRAMYTQA VQNIRVVGAE TAFLIQALST QLGYSLEDVH DATA SEQUENCE VIGHSLGAHT AAEAGRRLGG RVGRITGLDP AGPCFQDEPE EVRLDPSDAV DATA SEQUENCE FVDVIHTDSS PIVPSLGFGM SQKVGHLDFF PNGGKEMPGc KXXXXXXXXX DATA SEQUENCE XXXXXEGIGG FVScNHLRSF EYYSSSVLNP DGFLGYPcAS YDEFQESKcF DATA SEQUENCE PcPAEGcPKM GHYADQFKGK TSAVEQTFFL NTGESGQFTS WRYKVSVTLS DATA SEQUENCE GKEKVNGYIR IALYGSNENS KQYEIFKGSL KPDASHTCAI DVDFNVGKIQ DATA SEQUENCE KVKFLWNKXX XNLSEPKLGA SQITVQSGED GTEYNFcSSD TVEENVLQSL DATA SEQUENCE YPc 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 K HA 0.000 nan 4.320 nan 0.000 0.191 -2 K C 0.000 176.595 176.600 -0.008 0.000 0.988 -2 K CA 0.000 56.287 56.287 0.000 0.000 0.838 -2 K CB 0.000 32.503 32.500 0.005 0.000 1.064 2 c N 1.863 120.210 118.600 -0.422 0.000 2.707 2 c HA 0.848 5.418 4.570 -0.000 0.000 0.313 2 c C -0.634 173.227 174.090 -0.381 0.000 1.209 2 c CA -0.443 55.696 56.329 -0.316 0.000 1.635 2 c CB 1.405 43.825 42.510 -0.150 0.000 2.206 2 c HN 0.993 nan 8.230 nan 0.000 0.485 3 Y N 1.386 121.756 120.300 0.117 0.000 2.490 3 Y HA 0.451 5.001 4.550 -0.000 0.000 0.346 3 Y C 1.147 177.068 175.900 0.035 0.000 1.023 3 Y CA 0.352 58.499 58.100 0.079 0.000 1.142 3 Y CB 0.673 39.198 38.460 0.108 0.000 1.126 3 Y HN 1.190 nan 8.280 nan 0.000 0.647 4 G N 0.855 109.726 108.800 0.117 0.000 2.614 4 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.303 4 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.303 4 G C 0.897 175.809 174.900 0.019 0.000 1.270 4 G CA 0.797 45.924 45.100 0.045 0.000 0.988 4 G HN 0.559 nan 8.290 nan 0.000 0.551 5 Q N -0.202 119.576 119.800 -0.035 0.000 2.376 5 Q HA -0.021 4.319 4.340 -0.000 0.000 0.211 5 Q C 2.596 178.586 176.000 -0.015 0.000 0.986 5 Q CA 1.380 57.151 55.803 -0.054 0.000 0.886 5 Q CB -0.225 28.389 28.738 -0.207 0.000 0.927 5 Q HN 0.568 nan 8.270 nan 0.000 0.457 6 L N -1.240 119.996 121.223 0.022 0.000 2.509 6 L HA 0.150 4.490 4.340 -0.000 0.000 0.222 6 L C 1.182 178.086 176.870 0.056 0.000 1.123 6 L CA 0.231 55.138 54.840 0.111 0.000 0.856 6 L CB -0.336 41.861 42.059 0.229 0.000 0.985 6 L HN 0.307 nan 8.230 nan 0.000 0.456 7 G N -0.524 108.273 108.800 -0.005 0.000 2.568 7 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.222 7 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.222 7 G C -0.497 174.242 174.900 -0.268 0.000 1.321 7 G CA -0.440 44.565 45.100 -0.158 0.000 0.893 7 G HN 0.167 nan 8.290 nan 0.000 0.569 8 c N -1.070 117.236 118.600 -0.489 0.000 2.595 8 c HA 0.889 5.459 4.570 -0.000 0.000 0.338 8 c C -0.667 172.866 174.090 -0.928 0.000 1.219 8 c CA -0.536 55.504 56.329 -0.482 0.000 1.811 8 c CB 1.075 43.428 42.510 -0.261 0.000 2.313 8 c HN 0.598 nan 8.230 nan 0.000 0.499 9 F N 1.307 121.120 119.950 -0.229 0.000 2.612 9 F HA 0.456 4.983 4.527 -0.000 0.000 0.332 9 F C 0.489 176.143 175.800 -0.242 0.000 1.167 9 F CA -0.240 57.587 58.000 -0.288 0.000 0.970 9 F CB 1.323 40.169 39.000 -0.256 0.000 1.234 9 F HN 0.620 nan 8.300 nan 0.000 0.453 10 S N 0.204 115.820 115.700 -0.140 0.000 2.687 10 S HA 0.393 4.863 4.470 -0.000 0.000 0.283 10 S C 0.297 174.888 174.600 -0.015 0.000 1.170 10 S CA -0.609 57.558 58.200 -0.054 0.000 1.008 10 S CB 1.304 64.490 63.200 -0.023 0.000 1.026 10 S HN 0.613 nan 8.310 nan 0.000 0.541 11 D N -0.349 120.076 120.400 0.041 0.000 2.427 11 D HA 0.071 4.711 4.640 -0.000 0.000 0.224 11 D C 0.446 176.821 176.300 0.124 0.000 1.157 11 D CA -0.427 53.625 54.000 0.085 0.000 0.828 11 D CB -0.422 40.410 40.800 0.053 0.000 0.974 11 D HN 0.810 nan 8.370 nan 0.000 0.498 12 E N 0.934 121.225 120.200 0.151 0.000 2.366 12 E HA 0.069 4.418 4.350 -0.000 0.000 0.266 12 E C -0.244 176.450 176.600 0.156 0.000 1.051 12 E CA -0.723 55.756 56.400 0.132 0.000 0.884 12 E CB 0.960 30.726 29.700 0.109 0.000 1.006 12 E HN -0.065 nan 8.360 nan 0.000 0.417 13 K N 2.972 123.408 120.400 0.061 0.000 2.530 13 K HA -0.011 4.309 4.320 -0.000 0.000 0.280 13 K C -1.589 174.983 176.600 -0.048 0.000 1.004 13 K CA -0.578 55.705 56.287 -0.007 0.000 1.071 13 K CB 0.258 32.741 32.500 -0.029 0.000 0.876 13 K HN 0.537 nan 8.250 nan 0.000 0.487 14 P HA 0.006 nan 4.420 nan 0.000 0.261 14 P C 0.352 177.462 177.300 -0.316 0.000 1.268 14 P CA 0.202 63.127 63.100 -0.291 0.000 0.833 14 P CB 0.159 31.615 31.700 -0.407 0.000 1.231 15 W N 1.568 122.832 121.300 -0.061 0.000 2.388 15 W HA 0.198 4.858 4.660 -0.000 0.000 0.294 15 W C 1.158 177.622 176.519 -0.093 0.000 1.212 15 W CA 0.822 58.123 57.345 -0.073 0.000 1.271 15 W CB -0.096 29.345 29.460 -0.031 0.000 1.126 15 W HN -0.024 nan 8.180 nan 0.000 0.535 16 A N -1.687 121.216 122.820 0.138 0.000 2.588 16 A HA 0.596 4.916 4.320 -0.000 0.000 0.290 16 A C 0.571 178.167 177.584 0.021 0.000 1.136 16 A CA -0.196 51.872 52.037 0.052 0.000 0.681 16 A CB 0.443 19.483 19.000 0.066 0.000 1.282 16 A HN 0.588 nan 8.150 nan 0.000 0.421 17 G N 0.023 108.824 108.800 0.003 0.000 2.249 17 G HA2 0.048 4.007 3.960 -0.000 0.000 0.273 17 G HA3 0.048 4.007 3.960 -0.000 0.000 0.273 17 G C 0.414 175.302 174.900 -0.021 0.000 1.036 17 G CA 1.526 46.624 45.100 -0.004 0.000 0.824 17 G HN 2.342 nan 8.290 nan 0.000 0.504 18 T N -3.179 111.352 114.554 -0.039 0.000 2.949 18 T HA 0.716 5.066 4.350 -0.000 0.000 0.287 18 T C 1.685 176.354 174.700 -0.051 0.000 1.034 18 T CA -0.359 61.708 62.100 -0.055 0.000 1.018 18 T CB 1.617 70.432 68.868 -0.088 0.000 1.135 18 T HN 0.118 nan 8.240 nan 0.000 0.532 19 L N 0.338 121.531 121.223 -0.050 0.000 1.991 19 L HA -0.255 4.085 4.340 -0.000 0.000 0.221 19 L C 2.962 179.804 176.870 -0.047 0.000 1.079 19 L CA 2.037 56.852 54.840 -0.042 0.000 0.778 19 L CB -0.734 41.301 42.059 -0.040 0.000 0.893 19 L HN 0.814 nan 8.230 nan 0.000 0.437 20 Q N -0.688 119.070 119.800 -0.069 0.000 2.378 20 Q HA -0.053 4.287 4.340 -0.000 0.000 0.205 20 Q C 0.544 176.492 176.000 -0.087 0.000 0.954 20 Q CA 0.595 56.352 55.803 -0.078 0.000 0.901 20 Q CB 0.255 28.930 28.738 -0.106 0.000 0.981 20 Q HN 0.414 nan 8.270 nan 0.000 0.483 21 R N 0.578 121.023 120.500 -0.092 0.000 2.983 21 R HA 0.145 4.485 4.340 -0.000 0.000 0.300 21 R C -2.001 174.271 176.300 -0.046 0.000 1.367 21 R CA -1.182 54.867 56.100 -0.085 0.000 1.564 21 R CB 0.786 31.015 30.300 -0.118 0.000 1.314 21 R HN 0.066 nan 8.270 nan 0.000 0.622 22 P HA -0.071 nan 4.420 nan 0.000 0.218 22 P C 0.521 177.819 177.300 -0.004 0.000 1.152 22 P CA 0.632 63.722 63.100 -0.015 0.000 0.826 22 P CB 0.387 32.081 31.700 -0.009 0.000 0.790 23 V N 1.309 121.223 119.914 0.000 0.000 2.715 23 V HA 0.045 4.165 4.120 -0.000 0.000 0.299 23 V C 0.895 176.995 176.094 0.010 0.000 1.054 23 V CA 0.085 62.391 62.300 0.010 0.000 1.077 23 V CB 0.103 31.937 31.823 0.018 0.000 0.972 23 V HN -0.061 nan 8.190 nan 0.000 0.484 24 K N 4.739 125.150 120.400 0.019 0.000 2.219 24 K HA 0.464 4.784 4.320 -0.000 0.000 0.280 24 K C -0.721 175.897 176.600 0.030 0.000 1.104 24 K CA 0.203 56.505 56.287 0.025 0.000 0.925 24 K CB -0.105 32.411 32.500 0.027 0.000 1.261 24 K HN 0.495 nan 8.250 nan 0.000 0.445 25 L N 3.567 124.805 121.223 0.025 0.000 2.331 25 L HA 0.621 4.961 4.340 -0.000 0.000 0.268 25 L C -0.418 176.466 176.870 0.022 0.000 1.015 25 L CA -1.250 53.605 54.840 0.025 0.000 0.807 25 L CB 1.066 43.125 42.059 -0.000 0.000 1.293 25 L HN 0.336 nan 8.230 nan 0.000 0.451 26 L N 1.154 122.394 121.223 0.028 0.000 2.434 26 L HA 0.508 4.848 4.340 -0.000 0.000 0.260 26 L C -2.457 174.416 176.870 0.005 0.000 0.983 26 L CA -1.842 53.008 54.840 0.016 0.000 0.820 26 L CB 2.723 44.810 42.059 0.047 0.000 1.361 26 L HN 0.322 nan 8.230 nan 0.000 0.410 27 P HA -0.036 nan 4.420 nan 0.000 0.268 27 P C -0.801 176.566 177.300 0.112 0.000 1.205 27 P CA -0.237 62.783 63.100 -0.132 0.000 0.771 27 P CB 0.356 31.838 31.700 -0.363 0.000 0.858 28 W N 1.313 122.569 121.300 -0.073 0.000 2.042 28 W HA 0.053 4.713 4.660 -0.000 0.000 0.358 28 W C 1.222 177.567 176.519 -0.290 0.000 1.325 28 W CA -0.443 56.851 57.345 -0.085 0.000 1.311 28 W CB -0.977 28.442 29.460 -0.069 0.000 1.210 28 W HN 0.366 nan 8.180 nan 0.000 0.620 29 S N 0.795 116.431 115.700 -0.107 0.000 2.579 29 S HA 0.124 4.594 4.470 -0.000 0.000 0.275 29 S C -1.640 172.696 174.600 -0.440 0.000 1.345 29 S CA -0.856 56.980 58.200 -0.607 0.000 1.031 29 S CB 1.246 64.273 63.200 -0.288 0.000 0.892 29 S HN 0.155 nan 8.310 nan 0.000 0.529 30 P HA -0.126 nan 4.420 nan 0.000 0.216 30 P C 1.398 178.614 177.300 -0.139 0.000 1.150 30 P CA 1.362 64.296 63.100 -0.277 0.000 0.837 30 P CB 0.046 31.600 31.700 -0.244 0.000 0.786 31 E N -0.404 119.709 120.200 -0.144 0.000 2.077 31 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 31 E C 1.503 178.062 176.600 -0.069 0.000 0.989 31 E CA 1.351 57.698 56.400 -0.088 0.000 0.800 31 E CB -0.362 29.285 29.700 -0.088 0.000 0.746 31 E HN 0.112 nan 8.360 nan 0.000 0.452 32 D N 0.344 120.700 120.400 -0.074 0.000 2.097 32 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 32 D C 2.061 178.440 176.300 0.131 0.000 0.984 32 D CA 0.987 54.965 54.000 -0.037 0.000 0.826 32 D CB -0.183 40.553 40.800 -0.106 0.000 0.973 32 D HN 0.310 nan 8.370 nan 0.000 0.460 33 I N 0.517 121.198 120.570 0.185 0.000 2.335 33 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 33 I C 0.626 176.869 176.117 0.211 0.000 1.129 33 I CA 0.856 62.306 61.300 0.249 0.000 1.402 33 I CB -0.240 37.835 38.000 0.125 0.000 1.069 33 I HN 0.019 nan 8.210 nan 0.000 0.424 34 D N 1.932 122.395 120.400 0.106 0.000 2.772 34 D HA -0.145 4.495 4.640 -0.000 0.000 0.233 34 D C 0.054 176.400 176.300 0.076 0.000 1.143 34 D CA 0.722 54.777 54.000 0.091 0.000 0.700 34 D CB -1.088 39.803 40.800 0.152 0.000 1.076 34 D HN 0.241 nan 8.370 nan 0.000 0.430 35 T N 1.472 116.044 114.554 0.029 0.000 2.939 35 T HA 0.144 4.494 4.350 -0.000 0.000 0.312 35 T C 0.713 175.305 174.700 -0.180 0.000 1.064 35 T CA 0.071 62.122 62.100 -0.082 0.000 1.136 35 T CB 0.799 69.572 68.868 -0.159 0.000 1.035 35 T HN 0.155 nan 8.240 nan 0.000 0.538 36 R N 1.093 121.377 120.500 -0.360 0.000 2.651 36 R HA 0.384 4.724 4.340 -0.000 0.000 0.278 36 R C -1.586 174.372 176.300 -0.571 0.000 1.010 36 R CA -0.682 55.217 56.100 -0.334 0.000 0.896 36 R CB 1.537 31.710 30.300 -0.212 0.000 1.211 36 R HN 0.568 nan 8.270 nan 0.000 0.456 37 F N 2.889 122.816 119.950 -0.040 0.000 2.347 37 F HA 0.437 4.964 4.527 -0.000 0.000 0.366 37 F C 0.373 176.094 175.800 -0.132 0.000 1.107 37 F CA -0.630 57.349 58.000 -0.034 0.000 1.058 37 F CB 1.072 40.097 39.000 0.043 0.000 1.236 37 F HN 0.082 nan 8.300 nan 0.000 0.456 38 L N 5.477 126.638 121.223 -0.105 0.000 2.264 38 L HA 0.401 4.741 4.340 -0.000 0.000 0.287 38 L C -0.550 176.185 176.870 -0.226 0.000 1.039 38 L CA -0.829 53.834 54.840 -0.295 0.000 0.829 38 L CB 1.045 42.793 42.059 -0.519 0.000 1.211 38 L HN 0.454 nan 8.230 nan 0.000 0.427 39 L N 4.458 125.585 121.223 -0.161 0.000 2.290 39 L HA 0.410 4.750 4.340 -0.000 0.000 0.284 39 L C -1.041 175.700 176.870 -0.215 0.000 1.078 39 L CA 0.320 55.108 54.840 -0.085 0.000 0.815 39 L CB 0.337 42.416 42.059 0.033 0.000 1.162 39 L HN 0.235 nan 8.230 nan 0.000 0.435 40 Y N 2.952 123.352 120.300 0.167 0.000 2.393 40 Y HA 0.711 5.261 4.550 -0.000 0.000 0.341 40 Y C 0.652 176.703 175.900 0.252 0.000 0.988 40 Y CA -0.419 57.818 58.100 0.228 0.000 1.078 40 Y CB 2.095 40.785 38.460 0.384 0.000 1.203 40 Y HN 0.752 nan 8.280 nan 0.000 0.453 41 T N -2.730 111.877 114.554 0.088 0.000 2.742 41 T HA 0.312 4.662 4.350 -0.000 0.000 0.282 41 T C 0.285 174.453 174.700 -0.886 0.000 1.025 41 T CA -0.917 61.091 62.100 -0.153 0.000 1.020 41 T CB 1.047 69.874 68.868 -0.068 0.000 1.317 41 T HN 0.481 nan 8.240 nan 0.000 0.538 42 N N 0.259 118.562 118.700 -0.661 0.000 2.309 42 N HA 0.003 4.743 4.740 -0.000 0.000 0.182 42 N C 1.319 176.607 175.510 -0.370 0.000 1.018 42 N CA 0.871 53.550 53.050 -0.618 0.000 0.876 42 N CB -0.214 38.157 38.487 -0.192 0.000 0.972 42 N HN 0.638 nan 8.380 nan 0.000 0.434 43 E N -0.033 120.018 120.200 -0.248 0.000 2.318 43 E HA 0.054 4.403 4.350 -0.000 0.000 0.193 43 E C -0.231 176.287 176.600 -0.137 0.000 0.998 43 E CA 0.409 56.720 56.400 -0.147 0.000 0.859 43 E CB -0.021 29.627 29.700 -0.087 0.000 0.812 43 E HN 0.478 nan 8.360 nan 0.000 0.492 44 N N -0.424 118.177 118.700 -0.166 0.000 2.791 44 N HA 0.115 4.855 4.740 -0.000 0.000 0.265 44 N C -2.470 172.998 175.510 -0.070 0.000 1.580 44 N CA -1.324 51.669 53.050 -0.095 0.000 0.809 44 N CB 1.236 39.693 38.487 -0.050 0.000 1.178 44 N HN -0.095 nan 8.380 nan 0.000 0.499 45 P HA 0.035 nan 4.420 nan 0.000 0.224 45 P C 0.359 177.754 177.300 0.158 0.000 1.157 45 P CA 0.781 63.791 63.100 -0.149 0.000 0.799 45 P CB 0.658 32.207 31.700 -0.251 0.000 0.809 46 N N -0.675 118.097 118.700 0.120 0.000 2.482 46 N HA 0.044 4.784 4.740 -0.000 0.000 0.179 46 N C 0.416 176.049 175.510 0.204 0.000 1.039 46 N CA 0.526 53.650 53.050 0.124 0.000 0.884 46 N CB -0.103 38.413 38.487 0.048 0.000 1.113 46 N HN 0.140 nan 8.380 nan 0.000 0.440 47 N N 1.232 120.018 118.700 0.144 0.000 2.342 47 N HA 0.195 4.935 4.740 -0.000 0.000 0.293 47 N C -0.572 174.891 175.510 -0.078 0.000 1.026 47 N CA -0.518 52.536 53.050 0.007 0.000 0.857 47 N CB 1.523 39.918 38.487 -0.153 0.000 1.256 47 N HN 0.027 nan 8.380 nan 0.000 0.484 48 F N -0.099 119.747 119.950 -0.174 0.000 2.450 48 F HA 0.348 4.875 4.527 -0.000 0.000 0.339 48 F C 0.352 175.999 175.800 -0.255 0.000 1.146 48 F CA -0.562 57.109 58.000 -0.549 0.000 1.267 48 F CB 0.443 39.023 39.000 -0.701 0.000 1.178 48 F HN 0.211 nan 8.300 nan 0.000 0.585 49 Q N 2.291 122.103 119.800 0.020 0.000 2.312 49 Q HA 0.469 4.809 4.340 -0.000 0.000 0.263 49 Q C -1.245 174.853 176.000 0.163 0.000 0.995 49 Q CA -0.992 54.858 55.803 0.079 0.000 0.853 49 Q CB 2.653 31.403 28.738 0.021 0.000 1.300 49 Q HN 0.820 nan 8.270 nan 0.000 0.448 50 L N 5.368 126.709 121.223 0.196 0.000 2.302 50 L HA 0.367 4.707 4.340 -0.000 0.000 0.285 50 L C -0.333 176.596 176.870 0.098 0.000 1.090 50 L CA -0.338 54.593 54.840 0.151 0.000 0.866 50 L CB 0.115 42.286 42.059 0.187 0.000 1.244 50 L HN 0.555 nan 8.230 nan 0.000 0.435 51 I N 1.347 121.969 120.570 0.087 0.000 2.713 51 I HA 0.663 4.833 4.170 -0.000 0.000 0.300 51 I C -0.010 176.162 176.117 0.091 0.000 1.009 51 I CA -0.140 61.193 61.300 0.055 0.000 1.305 51 I CB 1.822 39.818 38.000 -0.007 0.000 1.430 51 I HN 0.546 nan 8.210 nan 0.000 0.546 52 T N 1.041 115.616 114.554 0.036 0.000 2.868 52 T HA 0.518 4.868 4.350 -0.000 0.000 0.306 52 T C 0.526 175.221 174.700 -0.007 0.000 1.224 52 T CA -0.163 61.968 62.100 0.052 0.000 1.012 52 T CB 1.401 70.330 68.868 0.101 0.000 1.221 52 T HN 0.858 nan 8.240 nan 0.000 0.499 53 G N 0.588 109.408 108.800 0.034 0.000 2.426 53 G HA2 0.020 3.979 3.960 -0.000 0.000 0.214 53 G HA3 0.020 3.979 3.960 -0.000 0.000 0.214 53 G C 1.412 176.452 174.900 0.233 0.000 1.156 53 G CA 1.099 46.260 45.100 0.102 0.000 0.802 53 G HN 0.990 nan 8.290 nan 0.000 0.534 54 T N 0.167 114.870 114.554 0.249 0.000 2.881 54 T HA -0.005 4.345 4.350 -0.000 0.000 0.270 54 T C 0.550 175.304 174.700 0.090 0.000 1.068 54 T CA 1.070 63.272 62.100 0.170 0.000 1.131 54 T CB -0.032 68.869 68.868 0.055 0.000 0.871 54 T HN 0.351 nan 8.240 nan 0.000 0.479 55 E N 2.011 122.246 120.200 0.059 0.000 2.256 55 E HA 0.272 4.622 4.350 -0.000 0.000 0.243 55 E C -2.200 174.404 176.600 0.008 0.000 0.925 55 E CA -2.234 54.184 56.400 0.030 0.000 0.748 55 E CB 1.650 31.365 29.700 0.025 0.000 1.206 55 E HN 0.191 nan 8.360 nan 0.000 0.428 56 P HA -0.026 nan 4.420 nan 0.000 0.245 56 P C 0.033 177.307 177.300 -0.043 0.000 1.212 56 P CA 0.395 63.468 63.100 -0.046 0.000 0.774 56 P CB 0.530 32.197 31.700 -0.056 0.000 0.999 57 D N 0.133 120.521 120.400 -0.018 0.000 2.178 57 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 57 D C 2.097 178.390 176.300 -0.011 0.000 0.980 57 D CA 1.903 55.896 54.000 -0.011 0.000 0.842 57 D CB -0.754 40.046 40.800 -0.001 0.000 0.948 57 D HN 0.264 nan 8.370 nan 0.000 0.472 58 T N -0.760 113.788 114.554 -0.010 0.000 2.746 58 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 58 T C 2.132 176.820 174.700 -0.020 0.000 1.039 58 T CA 0.771 62.868 62.100 -0.004 0.000 1.142 58 T CB -0.381 68.492 68.868 0.008 0.000 0.866 58 T HN 0.077 nan 8.240 nan 0.000 0.444 59 I N 1.531 122.062 120.570 -0.064 0.000 2.127 59 I HA -0.127 4.043 4.170 -0.000 0.000 0.241 59 I C 2.769 178.856 176.117 -0.049 0.000 1.075 59 I CA 1.959 63.186 61.300 -0.123 0.000 1.334 59 I CB -1.283 36.560 38.000 -0.261 0.000 1.040 59 I HN 0.316 nan 8.210 nan 0.000 0.405 60 E N 1.482 121.661 120.200 -0.036 0.000 2.033 60 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 60 E C 2.101 178.718 176.600 0.028 0.000 1.011 60 E CA 1.992 58.395 56.400 0.005 0.000 0.815 60 E CB -0.248 29.452 29.700 0.000 0.000 0.755 60 E HN 0.438 nan 8.360 nan 0.000 0.451 61 A N 0.293 123.123 122.820 0.017 0.000 2.209 61 A HA 0.025 4.345 4.320 -0.000 0.000 0.212 61 A C 1.232 178.833 177.584 0.028 0.000 1.158 61 A CA 0.807 52.856 52.037 0.021 0.000 0.742 61 A CB -0.697 18.311 19.000 0.013 0.000 0.790 61 A HN 0.338 nan 8.150 nan 0.000 0.472 62 S N -0.602 115.123 115.700 0.041 0.000 2.645 62 S HA 0.191 4.661 4.470 -0.000 0.000 0.266 62 S C 0.583 175.231 174.600 0.080 0.000 1.258 62 S CA -0.335 57.900 58.200 0.058 0.000 0.990 62 S CB 0.325 63.571 63.200 0.077 0.000 0.967 62 S HN 0.279 nan 8.310 nan 0.000 0.556 63 N N -0.089 118.651 118.700 0.068 0.000 2.609 63 N HA 0.077 4.817 4.740 -0.000 0.000 0.190 63 N C -0.211 175.350 175.510 0.084 0.000 1.157 63 N CA 0.001 53.083 53.050 0.052 0.000 0.918 63 N CB -0.837 37.654 38.487 0.007 0.000 0.978 63 N HN 0.671 nan 8.380 nan 0.000 0.448 64 F N 2.172 122.113 119.950 -0.015 0.000 2.612 64 F HA -0.083 4.443 4.527 -0.000 0.000 0.389 64 F C 0.456 176.256 175.800 0.000 0.000 1.055 64 F CA 0.036 58.023 58.000 -0.021 0.000 1.232 64 F CB 0.478 39.446 39.000 -0.054 0.000 1.044 64 F HN -0.049 nan 8.300 nan 0.000 0.560 65 Q N 7.205 126.814 119.800 -0.317 0.000 2.257 65 Q HA 0.228 4.568 4.340 -0.000 0.000 0.255 65 Q C 0.989 176.934 176.000 -0.092 0.000 0.920 65 Q CA -0.409 55.327 55.803 -0.111 0.000 0.927 65 Q CB 1.765 30.441 28.738 -0.103 0.000 1.229 65 Q HN 0.832 nan 8.270 nan 0.000 0.433 66 L N 0.991 122.343 121.223 0.215 0.000 2.141 66 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 66 L C 1.160 178.203 176.870 0.288 0.000 1.094 66 L CA 1.468 56.541 54.840 0.388 0.000 0.763 66 L CB -0.499 41.754 42.059 0.324 0.000 0.908 66 L HN 0.602 nan 8.230 nan 0.000 0.437 67 D N -0.622 119.861 120.400 0.139 0.000 2.363 67 D HA -0.034 4.606 4.640 -0.000 0.000 0.226 67 D C 0.777 177.124 176.300 0.078 0.000 1.020 67 D CA 0.168 54.223 54.000 0.093 0.000 0.892 67 D CB 0.167 41.003 40.800 0.060 0.000 0.900 67 D HN 0.242 nan 8.370 nan 0.000 0.531 68 R N -0.251 120.293 120.500 0.073 0.000 2.832 68 R HA 0.460 4.800 4.340 -0.000 0.000 0.271 68 R C -0.322 176.057 176.300 0.132 0.000 0.996 68 R CA -1.141 54.993 56.100 0.057 0.000 0.977 68 R CB 1.163 31.454 30.300 -0.015 0.000 1.168 68 R HN -0.178 nan 8.270 nan 0.000 0.482 69 K N 0.552 121.032 120.400 0.134 0.000 2.397 69 K HA 0.067 4.387 4.320 -0.000 0.000 0.265 69 K C -0.511 176.191 176.600 0.169 0.000 0.982 69 K CA 0.895 57.301 56.287 0.198 0.000 0.931 69 K CB 0.547 33.140 32.500 0.155 0.000 0.943 69 K HN 0.444 nan 8.250 nan 0.000 0.501 70 T N 3.163 117.871 114.554 0.257 0.000 2.879 70 T HA 0.463 4.813 4.350 -0.000 0.000 0.290 70 T C -0.978 173.864 174.700 0.236 0.000 0.993 70 T CA -0.859 61.336 62.100 0.159 0.000 0.975 70 T CB 0.877 69.832 68.868 0.145 0.000 0.981 70 T HN 0.406 nan 8.240 nan 0.000 0.439 71 R N 2.027 122.598 120.500 0.120 0.000 2.599 71 R HA 0.624 4.964 4.340 -0.000 0.000 0.295 71 R C -1.259 175.048 176.300 0.011 0.000 0.963 71 R CA -0.769 55.415 56.100 0.140 0.000 0.883 71 R CB 1.707 32.053 30.300 0.075 0.000 1.171 71 R HN 0.388 nan 8.270 nan 0.000 0.450 72 F N 2.109 122.058 119.950 -0.002 0.000 2.425 72 F HA 0.544 5.071 4.527 -0.000 0.000 0.331 72 F C 0.358 176.110 175.800 -0.080 0.000 1.085 72 F CA -0.754 57.251 58.000 0.007 0.000 1.028 72 F CB 1.320 40.350 39.000 0.050 0.000 1.177 72 F HN 0.208 nan 8.300 nan 0.000 0.487 73 I N 4.063 124.680 120.570 0.079 0.000 2.478 73 I HA 0.390 4.560 4.170 -0.000 0.000 0.287 73 I C -1.047 175.062 176.117 -0.012 0.000 1.042 73 I CA -0.369 60.915 61.300 -0.027 0.000 1.067 73 I CB 1.855 39.768 38.000 -0.145 0.000 1.233 73 I HN 0.342 nan 8.210 nan 0.000 0.431 74 I N 5.758 126.352 120.570 0.040 0.000 2.382 74 I HA 0.259 4.429 4.170 -0.000 0.000 0.285 74 I C -0.026 176.204 176.117 0.190 0.000 1.007 74 I CA -0.768 60.566 61.300 0.057 0.000 1.142 74 I CB 1.002 39.028 38.000 0.044 0.000 1.289 74 I HN 0.635 nan 8.210 nan 0.000 0.453 75 H N 4.309 123.501 119.070 0.204 0.000 2.660 75 H HA 0.708 5.264 4.556 -0.000 0.000 0.374 75 H C 0.346 175.950 175.328 0.460 0.000 1.291 75 H CA -0.372 55.848 56.048 0.286 0.000 1.437 75 H CB 0.588 30.304 29.762 -0.077 0.000 1.509 75 H HN 0.575 nan 8.280 nan 0.000 0.614 76 G N -0.184 109.013 108.800 0.662 0.000 3.135 76 G HA2 0.291 4.251 3.960 -0.000 0.000 0.159 76 G HA3 0.291 4.251 3.960 -0.000 0.000 0.159 76 G C -0.983 174.148 174.900 0.384 0.000 1.244 76 G CA -0.930 44.526 45.100 0.594 0.000 0.965 76 G HN 0.598 nan 8.290 nan 0.000 0.599 77 F N 0.817 120.866 119.950 0.166 0.000 2.629 77 F HA 0.181 4.708 4.527 -0.000 0.000 0.369 77 F C 1.311 176.990 175.800 -0.203 0.000 1.125 77 F CA -0.457 57.498 58.000 -0.077 0.000 1.330 77 F CB -0.149 38.768 39.000 -0.138 0.000 1.071 77 F HN 0.308 nan 8.300 nan 0.000 0.595 78 L N 4.552 125.249 121.223 -0.877 0.000 3.995 78 L HA -0.309 4.031 4.340 -0.000 0.000 0.513 78 L C -0.437 176.198 176.870 -0.392 0.000 1.147 78 L CA 0.844 55.255 54.840 -0.715 0.000 0.703 78 L CB -1.336 40.219 42.059 -0.841 0.000 1.306 78 L HN 0.671 nan 8.230 nan 0.000 0.779 79 D N 0.249 120.360 120.400 -0.481 0.000 2.768 79 D HA 0.653 5.293 4.640 -0.000 0.000 0.327 79 D C -0.972 174.744 176.300 -0.974 0.000 1.302 79 D CA -0.209 53.489 54.000 -0.503 0.000 0.897 79 D CB 1.479 42.133 40.800 -0.243 0.000 1.420 79 D HN 0.273 nan 8.370 nan 0.000 0.494 80 K N -1.188 118.635 120.400 -0.961 0.000 2.507 80 K HA 0.825 5.145 4.320 -0.000 0.000 0.284 80 K C -0.739 175.488 176.600 -0.622 0.000 1.038 80 K CA -0.535 55.179 56.287 -0.956 0.000 0.903 80 K CB 1.179 33.372 32.500 -0.511 0.000 1.531 80 K HN 0.219 nan 8.250 nan 0.000 0.430 81 A N 0.063 122.685 122.820 -0.330 0.000 1.969 81 A HA 0.114 4.434 4.320 -0.000 0.000 0.205 81 A C 0.413 177.869 177.584 -0.212 0.000 1.364 81 A CA 0.271 52.146 52.037 -0.269 0.000 0.756 81 A CB -0.389 18.540 19.000 -0.119 0.000 0.988 81 A HN 0.753 nan 8.150 nan 0.000 0.490 82 E N 1.626 121.750 120.200 -0.127 0.000 2.480 82 E HA -0.011 4.339 4.350 -0.000 0.000 0.258 82 E C -0.841 175.737 176.600 -0.037 0.000 0.984 82 E CA 0.206 56.608 56.400 0.002 0.000 0.930 82 E CB -0.012 29.704 29.700 0.027 0.000 0.936 82 E HN 0.352 nan 8.360 nan 0.000 0.466 83 D N 2.641 123.044 120.400 0.004 0.000 2.735 83 D HA -0.180 4.460 4.640 -0.000 0.000 0.235 83 D C -0.686 175.563 176.300 -0.084 0.000 1.175 83 D CA 1.415 55.398 54.000 -0.027 0.000 0.683 83 D CB -1.127 39.675 40.800 0.003 0.000 1.008 83 D HN 0.473 nan 8.370 nan 0.000 0.416 84 S N -1.197 114.410 115.700 -0.153 0.000 2.800 84 S HA 0.429 4.899 4.470 -0.000 0.000 0.293 84 S C 1.276 175.729 174.600 -0.245 0.000 1.209 84 S CA -0.490 57.608 58.200 -0.170 0.000 0.884 84 S CB 0.753 63.821 63.200 -0.220 0.000 1.244 84 S HN 0.225 nan 8.310 nan 0.000 0.540 85 W N 0.424 121.577 121.300 -0.245 0.000 2.350 85 W HA 0.080 4.740 4.660 -0.000 0.000 0.289 85 W C -1.909 174.438 176.519 -0.287 0.000 1.215 85 W CA 1.996 59.159 57.345 -0.303 0.000 1.236 85 W CB -2.825 26.248 29.460 -0.645 0.000 1.130 85 W HN 0.458 nan 8.180 nan 0.000 0.541 86 P HA -0.204 nan 4.420 nan 0.000 0.214 86 P C 2.366 179.400 177.300 -0.444 0.000 1.162 86 P CA 3.575 66.147 63.100 -0.880 0.000 0.879 86 P CB -0.326 30.789 31.700 -0.976 0.000 0.786 87 S N -0.855 114.598 115.700 -0.411 0.000 2.382 87 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 87 S C 1.949 176.341 174.600 -0.347 0.000 1.027 87 S CA 1.732 59.668 58.200 -0.440 0.000 0.991 87 S CB -1.524 61.491 63.200 -0.308 0.000 0.823 87 S HN 0.068 nan 8.310 nan 0.000 0.469 88 D N 1.133 121.416 120.400 -0.195 0.000 2.144 88 D HA -0.026 4.614 4.640 -0.000 0.000 0.200 88 D C 1.941 178.190 176.300 -0.086 0.000 0.978 88 D CA 1.078 55.021 54.000 -0.094 0.000 0.833 88 D CB -0.342 40.455 40.800 -0.005 0.000 0.961 88 D HN 0.428 nan 8.370 nan 0.000 0.470 89 M N -0.444 119.112 119.600 -0.072 0.000 2.202 89 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 89 M C 1.781 177.964 176.300 -0.195 0.000 1.063 89 M CA 1.133 56.406 55.300 -0.046 0.000 1.097 89 M CB -0.085 32.546 32.600 0.052 0.000 1.382 89 M HN 0.227 nan 8.290 nan 0.000 0.413 90 c N 0.215 118.628 118.600 -0.311 0.000 2.436 90 c HA -0.156 4.414 4.570 -0.000 0.000 0.277 90 c C 2.663 176.369 174.090 -0.640 0.000 1.241 90 c CA 0.996 56.996 56.329 -0.549 0.000 1.721 90 c CB -0.999 41.210 42.510 -0.501 0.000 2.043 90 c HN 0.544 nan 8.230 nan 0.000 0.472 91 K N 0.994 121.271 120.400 -0.206 0.000 2.044 91 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 91 K C 2.184 178.787 176.600 0.005 0.000 1.049 91 K CA 1.431 57.769 56.287 0.085 0.000 0.927 91 K CB -0.210 32.343 32.500 0.089 0.000 0.713 91 K HN 0.448 nan 8.250 nan 0.000 0.443 92 K N 0.304 120.667 120.400 -0.062 0.000 2.034 92 K HA -0.198 4.122 4.320 -0.000 0.000 0.214 92 K C 2.208 178.753 176.600 -0.091 0.000 1.051 92 K CA 1.892 58.154 56.287 -0.043 0.000 0.931 92 K CB -0.326 32.151 32.500 -0.039 0.000 0.715 92 K HN 0.282 nan 8.250 nan 0.000 0.446 93 M N -0.258 119.197 119.600 -0.241 0.000 2.108 93 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 93 M C 1.903 178.118 176.300 -0.142 0.000 1.066 93 M CA 1.495 56.626 55.300 -0.281 0.000 1.107 93 M CB -0.361 31.988 32.600 -0.418 0.000 1.356 93 M HN -0.017 nan 8.290 nan 0.000 0.406 94 F N 0.689 120.643 119.950 0.006 0.000 2.494 94 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 94 F C 2.223 178.041 175.800 0.029 0.000 1.106 94 F CA 0.848 58.860 58.000 0.021 0.000 1.452 94 F CB -0.847 38.161 39.000 0.014 0.000 1.085 94 F HN 0.237 nan 8.300 nan 0.000 0.569 95 E N -0.160 120.143 120.200 0.171 0.000 2.170 95 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 95 E C 2.219 178.889 176.600 0.116 0.000 0.981 95 E CA 1.500 57.976 56.400 0.126 0.000 0.830 95 E CB -0.068 29.688 29.700 0.094 0.000 0.775 95 E HN 0.436 nan 8.360 nan 0.000 0.470 96 V N -1.156 118.827 119.914 0.115 0.000 3.643 96 V HA 0.173 4.293 4.120 -0.000 0.000 0.280 96 V C 0.137 176.326 176.094 0.157 0.000 1.351 96 V CA 0.082 62.464 62.300 0.137 0.000 1.073 96 V CB -0.248 31.678 31.823 0.172 0.000 0.863 96 V HN 0.155 nan 8.190 nan 0.000 0.436 97 E N -0.791 119.501 120.200 0.153 0.000 2.409 97 E HA 0.550 4.900 4.350 -0.000 0.000 0.280 97 E C -1.627 175.081 176.600 0.179 0.000 1.079 97 E CA -1.171 55.325 56.400 0.161 0.000 0.840 97 E CB 0.835 30.643 29.700 0.179 0.000 1.309 97 E HN -0.064 nan 8.360 nan 0.000 0.447 98 K N 0.827 121.318 120.400 0.153 0.000 2.263 98 K HA 0.540 4.859 4.320 -0.000 0.000 0.282 98 K C -1.278 175.408 176.600 0.143 0.000 1.089 98 K CA -0.381 55.995 56.287 0.149 0.000 0.907 98 K CB 1.483 34.040 32.500 0.094 0.000 1.148 98 K HN 0.389 nan 8.250 nan 0.000 0.470 99 V N 2.957 122.992 119.914 0.203 0.000 3.007 99 V HA 0.423 4.543 4.120 -0.000 0.000 0.311 99 V C -1.353 174.825 176.094 0.141 0.000 1.120 99 V CA -0.973 61.414 62.300 0.145 0.000 0.980 99 V CB 2.350 34.235 31.823 0.103 0.000 1.033 99 V HN 0.743 nan 8.190 nan 0.000 0.429 100 N N 3.240 121.934 118.700 -0.010 0.000 2.589 100 N HA 0.252 4.992 4.740 -0.000 0.000 0.232 100 N C -0.858 174.642 175.510 -0.018 0.000 1.015 100 N CA -0.075 52.918 53.050 -0.094 0.000 0.931 100 N CB 1.166 39.370 38.487 -0.472 0.000 1.150 100 N HN 0.605 nan 8.380 nan 0.000 0.512 101 c N 4.774 123.434 118.600 0.100 0.000 2.256 101 c HA 0.465 5.035 4.570 -0.000 0.000 0.333 101 c C 0.372 174.484 174.090 0.037 0.000 1.183 101 c CA -0.596 55.759 56.329 0.043 0.000 1.692 101 c CB -1.596 40.946 42.510 0.054 0.000 2.274 101 c HN 0.533 nan 8.230 nan 0.000 0.509 102 I N 5.497 125.937 120.570 -0.215 0.000 2.339 102 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 102 I C -0.109 175.915 176.117 -0.154 0.000 0.994 102 I CA -0.091 61.037 61.300 -0.288 0.000 1.191 102 I CB 1.091 38.613 38.000 -0.798 0.000 1.343 102 I HN 0.485 nan 8.210 nan 0.000 0.458 103 C N 6.659 125.964 119.300 0.008 0.000 2.239 103 C HA 0.346 4.806 4.460 -0.000 0.000 0.323 103 C C 0.457 175.438 174.990 -0.015 0.000 1.205 103 C CA -0.751 58.274 59.018 0.013 0.000 1.584 103 C CB 0.261 28.040 27.740 0.064 0.000 2.201 103 C HN 0.444 nan 8.230 nan 0.000 0.475 104 V N 4.223 124.152 119.914 0.025 0.000 2.446 104 V HA 0.146 4.266 4.120 -0.000 0.000 0.276 104 V C 0.371 176.417 176.094 -0.080 0.000 1.030 104 V CA 0.507 62.740 62.300 -0.112 0.000 1.033 104 V CB 0.382 32.177 31.823 -0.047 0.000 0.993 104 V HN 0.788 nan 8.190 nan 0.000 0.477 105 D N 6.629 126.955 120.400 -0.123 0.000 2.441 105 D HA 0.226 4.866 4.640 -0.000 0.000 0.231 105 D C -0.295 176.075 176.300 0.117 0.000 1.073 105 D CA -0.532 53.486 54.000 0.030 0.000 0.850 105 D CB 1.239 41.971 40.800 -0.113 0.000 1.062 105 D HN 0.772 nan 8.370 nan 0.000 0.524 106 W N 6.618 127.938 121.300 0.033 0.000 1.903 106 W HA 0.212 4.872 4.660 -0.000 0.000 0.349 106 W C 1.041 177.628 176.519 0.113 0.000 0.814 106 W CA -0.635 56.709 57.345 -0.003 0.000 2.728 106 W CB -1.027 28.366 29.460 -0.111 0.000 1.621 106 W HN 0.401 nan 8.180 nan 0.000 0.644 107 R N 0.436 120.841 120.500 -0.159 0.000 2.119 107 R HA -0.276 4.064 4.340 -0.000 0.000 0.246 107 R C 1.289 177.412 176.300 -0.295 0.000 1.146 107 R CA 1.938 57.785 56.100 -0.423 0.000 0.962 107 R CB -1.087 28.900 30.300 -0.521 0.000 0.863 107 R HN 0.150 nan 8.270 nan 0.000 0.442 108 H N 0.173 119.239 119.070 -0.007 0.000 2.389 108 H HA 0.015 4.571 4.556 -0.000 0.000 0.299 108 H C 2.238 177.692 175.328 0.210 0.000 1.081 108 H CA 1.634 57.730 56.048 0.081 0.000 1.345 108 H CB -0.316 29.502 29.762 0.092 0.000 1.393 108 H HN 0.568 nan 8.280 nan 0.000 0.520 109 G N 0.007 109.023 108.800 0.361 0.000 2.572 109 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 109 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 109 G C 1.766 176.841 174.900 0.291 0.000 1.133 109 G CA 0.854 46.200 45.100 0.409 0.000 0.791 109 G HN 0.499 nan 8.290 nan 0.000 0.538 110 S N -0.436 115.223 115.700 -0.067 0.000 2.517 110 S HA 0.222 4.692 4.470 -0.000 0.000 0.214 110 S C 1.085 175.583 174.600 -0.170 0.000 0.991 110 S CA -0.527 57.505 58.200 -0.281 0.000 0.906 110 S CB 0.201 62.838 63.200 -0.939 0.000 0.789 110 S HN 0.227 nan 8.310 nan 0.000 0.513 111 R N 2.093 122.543 120.500 -0.083 0.000 2.419 111 R HA 0.728 5.068 4.340 -0.000 0.000 0.305 111 R C -0.139 176.260 176.300 0.164 0.000 1.242 111 R CA 0.375 56.456 56.100 -0.032 0.000 1.105 111 R CB 0.500 30.807 30.300 0.012 0.000 1.116 111 R HN 0.483 nan 8.270 nan 0.000 0.523 112 A N 2.063 124.990 122.820 0.178 0.000 2.456 112 A HA 0.294 4.614 4.320 -0.000 0.000 0.294 112 A C -1.235 176.547 177.584 0.330 0.000 1.057 112 A CA -0.968 51.223 52.037 0.257 0.000 0.623 112 A CB 0.502 19.540 19.000 0.064 0.000 1.338 112 A HN 0.505 nan 8.150 nan 0.000 0.464 113 M N 0.538 120.288 119.600 0.250 0.000 2.252 113 M HA 0.219 4.699 4.480 -0.000 0.000 0.333 113 M C 0.847 177.237 176.300 0.151 0.000 1.111 113 M CA 0.431 55.875 55.300 0.241 0.000 1.140 113 M CB 0.107 32.802 32.600 0.160 0.000 1.538 113 M HN 0.833 nan 8.290 nan 0.000 0.448 114 Y N 1.939 122.194 120.300 -0.075 0.000 2.081 114 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 114 Y C 2.273 178.018 175.900 -0.259 0.000 1.163 114 Y CA 2.659 60.469 58.100 -0.483 0.000 1.135 114 Y CB -0.657 37.540 38.460 -0.438 0.000 0.970 114 Y HN 0.857 nan 8.280 nan 0.000 0.498 115 T N -2.183 112.284 114.554 -0.144 0.000 2.881 115 T HA -0.206 4.144 4.350 -0.000 0.000 0.270 115 T C 1.813 176.382 174.700 -0.218 0.000 1.068 115 T CA 1.428 63.409 62.100 -0.199 0.000 1.131 115 T CB -0.327 68.506 68.868 -0.058 0.000 0.871 115 T HN 0.303 nan 8.240 nan 0.000 0.479 116 Q N 0.953 120.648 119.800 -0.175 0.000 2.123 116 Q HA 0.187 4.527 4.340 -0.000 0.000 0.199 116 Q C 2.635 178.414 176.000 -0.368 0.000 0.966 116 Q CA 1.580 57.233 55.803 -0.250 0.000 0.845 116 Q CB -0.640 27.972 28.738 -0.211 0.000 0.907 116 Q HN 0.711 nan 8.270 nan 0.000 0.439 117 A N -0.174 122.467 122.820 -0.298 0.000 1.930 117 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 117 A C 2.310 179.774 177.584 -0.200 0.000 1.175 117 A CA 1.279 53.211 52.037 -0.175 0.000 0.627 117 A CB -0.631 18.379 19.000 0.017 0.000 0.815 117 A HN 0.211 nan 8.150 nan 0.000 0.443 118 V N 0.208 119.898 119.914 -0.372 0.000 2.546 118 V HA -0.288 3.832 4.120 -0.000 0.000 0.254 118 V C 2.720 178.724 176.094 -0.150 0.000 1.076 118 V CA 2.126 64.265 62.300 -0.268 0.000 1.087 118 V CB -0.656 30.889 31.823 -0.463 0.000 0.674 118 V HN 0.552 nan 8.190 nan 0.000 0.470 119 Q N -0.337 119.346 119.800 -0.195 0.000 2.033 119 Q HA -0.062 4.278 4.340 -0.000 0.000 0.196 119 Q C 2.204 178.060 176.000 -0.239 0.000 0.970 119 Q CA 1.146 56.843 55.803 -0.177 0.000 0.828 119 Q CB -0.683 27.944 28.738 -0.185 0.000 0.895 119 Q HN 0.615 nan 8.270 nan 0.000 0.440 120 N N 1.549 120.071 118.700 -0.296 0.000 2.192 120 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 120 N C 1.768 177.069 175.510 -0.349 0.000 1.013 120 N CA 0.564 53.431 53.050 -0.304 0.000 0.863 120 N CB -0.484 37.855 38.487 -0.248 0.000 0.990 120 N HN 0.252 nan 8.380 nan 0.000 0.430 121 I N 1.078 121.446 120.570 -0.338 0.000 2.227 121 I HA -0.397 3.773 4.170 -0.000 0.000 0.250 121 I C 1.940 177.887 176.117 -0.283 0.000 1.087 121 I CA 1.534 62.599 61.300 -0.393 0.000 1.352 121 I CB 0.075 38.011 38.000 -0.106 0.000 1.043 121 I HN 0.196 nan 8.210 nan 0.000 0.425 122 R N -0.466 119.912 120.500 -0.204 0.000 2.057 122 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 122 R C 2.153 178.376 176.300 -0.128 0.000 1.136 122 R CA 1.467 57.495 56.100 -0.120 0.000 0.952 122 R CB -0.579 29.630 30.300 -0.153 0.000 0.848 122 R HN 0.238 nan 8.270 nan 0.000 0.430 123 V N 0.938 120.640 119.914 -0.354 0.000 2.332 123 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 123 V C 2.353 178.347 176.094 -0.168 0.000 1.055 123 V CA 1.722 63.855 62.300 -0.278 0.000 1.038 123 V CB -0.354 31.238 31.823 -0.384 0.000 0.651 123 V HN 0.152 nan 8.190 nan 0.000 0.450 124 V N 0.772 120.514 119.914 -0.286 0.000 2.332 124 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 124 V C 2.586 178.556 176.094 -0.206 0.000 1.055 124 V CA 2.216 64.309 62.300 -0.344 0.000 1.038 124 V CB -1.414 29.936 31.823 -0.788 0.000 0.651 124 V HN 0.627 nan 8.190 nan 0.000 0.450 125 G N -0.454 108.244 108.800 -0.171 0.000 2.433 125 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 125 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 125 G C 1.812 176.724 174.900 0.019 0.000 1.186 125 G CA 1.091 46.151 45.100 -0.066 0.000 0.779 125 G HN 0.607 nan 8.290 nan 0.000 0.543 126 A N 0.988 123.851 122.820 0.071 0.000 1.873 126 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 126 A C 2.187 179.859 177.584 0.147 0.000 1.193 126 A CA 2.088 54.204 52.037 0.133 0.000 0.629 126 A CB -0.528 18.613 19.000 0.234 0.000 0.826 126 A HN 0.447 nan 8.150 nan 0.000 0.447 127 E N -1.113 119.171 120.200 0.140 0.000 2.153 127 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 127 E C 2.083 178.892 176.600 0.348 0.000 0.988 127 E CA 1.563 58.106 56.400 0.237 0.000 0.811 127 E CB -0.350 29.495 29.700 0.242 0.000 0.746 127 E HN 0.635 nan 8.360 nan 0.000 0.466 128 T N 0.956 115.677 114.554 0.279 0.000 2.770 128 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 128 T C 2.032 176.696 174.700 -0.061 0.000 1.039 128 T CA 1.145 63.349 62.100 0.174 0.000 1.142 128 T CB -0.172 68.735 68.868 0.065 0.000 0.868 128 T HN 0.235 nan 8.240 nan 0.000 0.435 129 A N 0.943 123.754 122.820 -0.014 0.000 1.948 129 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 129 A C 1.992 179.570 177.584 -0.011 0.000 1.177 129 A CA 1.482 53.500 52.037 -0.032 0.000 0.636 129 A CB -0.978 18.032 19.000 0.016 0.000 0.815 129 A HN 0.502 nan 8.150 nan 0.000 0.449 130 F N -0.097 119.810 119.950 -0.072 0.000 2.075 130 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 130 F C 1.890 177.608 175.800 -0.136 0.000 1.113 130 F CA 1.815 59.770 58.000 -0.075 0.000 1.218 130 F CB -0.337 38.640 39.000 -0.038 0.000 0.984 130 F HN 0.207 nan 8.300 nan 0.000 0.472 131 L N 0.565 121.721 121.223 -0.110 0.000 2.079 131 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 131 L C 2.131 178.838 176.870 -0.273 0.000 1.081 131 L CA 1.713 56.375 54.840 -0.297 0.000 0.752 131 L CB -0.826 40.870 42.059 -0.605 0.000 0.896 131 L HN 0.280 nan 8.230 nan 0.000 0.433 132 I N -1.292 119.139 120.570 -0.233 0.000 2.142 132 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 132 I C 2.537 178.570 176.117 -0.141 0.000 1.078 132 I CA 0.973 62.180 61.300 -0.155 0.000 1.343 132 I CB -0.447 37.445 38.000 -0.179 0.000 1.046 132 I HN 0.323 nan 8.210 nan 0.000 0.405 133 Q N 0.744 120.428 119.800 -0.195 0.000 2.062 133 Q HA -0.272 4.068 4.340 -0.000 0.000 0.209 133 Q C 2.386 178.222 176.000 -0.274 0.000 0.996 133 Q CA 2.303 57.975 55.803 -0.218 0.000 0.859 133 Q CB -0.667 27.903 28.738 -0.280 0.000 0.920 133 Q HN 0.591 nan 8.270 nan 0.000 0.415 134 A N 0.884 123.447 122.820 -0.429 0.000 1.884 134 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 134 A C 2.286 179.728 177.584 -0.236 0.000 1.197 134 A CA 1.888 53.693 52.037 -0.387 0.000 0.637 134 A CB -1.028 17.727 19.000 -0.409 0.000 0.827 134 A HN 0.419 nan 8.150 nan 0.000 0.450 135 L N -0.692 120.400 121.223 -0.219 0.000 2.127 135 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 135 L C 2.899 179.766 176.870 -0.005 0.000 1.089 135 L CA 1.540 56.278 54.840 -0.170 0.000 0.757 135 L CB -0.535 41.394 42.059 -0.218 0.000 0.899 135 L HN 0.568 nan 8.230 nan 0.000 0.434 136 S N -0.400 115.300 115.700 -0.000 0.000 2.336 136 S HA -0.149 4.321 4.470 -0.000 0.000 0.216 136 S C 2.113 176.708 174.600 -0.007 0.000 1.032 136 S CA 1.752 59.975 58.200 0.038 0.000 0.973 136 S CB -0.283 62.929 63.200 0.019 0.000 0.888 136 S HN 0.562 nan 8.310 nan 0.000 0.455 137 T N -0.017 114.501 114.554 -0.060 0.000 2.737 137 T HA -0.039 4.311 4.350 -0.000 0.000 0.265 137 T C 1.874 176.546 174.700 -0.047 0.000 1.038 137 T CA 1.314 63.380 62.100 -0.057 0.000 1.144 137 T CB -0.590 68.227 68.868 -0.085 0.000 0.866 137 T HN 0.299 nan 8.240 nan 0.000 0.434 138 Q N 0.172 119.930 119.800 -0.070 0.000 2.331 138 Q HA 0.406 4.746 4.340 -0.000 0.000 0.203 138 Q C 1.816 177.795 176.000 -0.035 0.000 0.944 138 Q CA 0.648 56.415 55.803 -0.060 0.000 0.892 138 Q CB 0.009 28.693 28.738 -0.090 0.000 0.983 138 Q HN 0.485 nan 8.270 nan 0.000 0.482 139 L N -2.463 118.749 121.223 -0.018 0.000 2.920 139 L HA 0.326 4.666 4.340 -0.000 0.000 0.257 139 L C 0.609 177.527 176.870 0.081 0.000 1.150 139 L CA 0.220 55.077 54.840 0.028 0.000 0.959 139 L CB 0.851 42.921 42.059 0.018 0.000 1.321 139 L HN 0.283 nan 8.230 nan 0.000 0.555 140 G N 0.286 109.127 108.800 0.068 0.000 2.198 140 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.257 140 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.257 140 G C -0.125 174.845 174.900 0.116 0.000 1.042 140 G CA 0.023 45.165 45.100 0.070 0.000 0.791 140 G HN 0.268 nan 8.290 nan 0.000 0.502 141 Y N 1.094 121.416 120.300 0.035 0.000 2.309 141 Y HA 0.555 5.105 4.550 -0.000 0.000 0.327 141 Y C 0.804 176.738 175.900 0.056 0.000 1.172 141 Y CA 0.070 58.216 58.100 0.076 0.000 1.280 141 Y CB 1.364 39.900 38.460 0.127 0.000 1.234 141 Y HN 0.327 nan 8.280 nan 0.000 0.512 142 S N 5.882 121.388 115.700 -0.322 0.000 2.499 142 S HA 0.232 4.702 4.470 -0.000 0.000 0.279 142 S C 0.956 175.538 174.600 -0.030 0.000 1.219 142 S CA -0.854 57.251 58.200 -0.158 0.000 1.062 142 S CB 0.363 63.441 63.200 -0.202 0.000 0.978 142 S HN 0.872 nan 8.310 nan 0.000 0.489 143 L N 3.462 124.716 121.223 0.051 0.000 2.083 143 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 143 L C 1.066 177.984 176.870 0.081 0.000 1.083 143 L CA 1.389 56.286 54.840 0.094 0.000 0.752 143 L CB -0.657 41.435 42.059 0.056 0.000 0.899 143 L HN 0.755 nan 8.230 nan 0.000 0.433 144 E N 0.881 121.101 120.200 0.032 0.000 1.852 144 E HA -0.006 4.344 4.350 -0.000 0.000 0.276 144 E C -0.281 176.326 176.600 0.012 0.000 1.163 144 E CA -0.039 56.377 56.400 0.027 0.000 1.117 144 E CB 0.213 29.916 29.700 0.005 0.000 1.124 144 E HN 0.251 nan 8.360 nan 0.000 0.458 145 D N -0.149 120.291 120.400 0.067 0.000 3.984 145 D HA -0.053 4.587 4.640 -0.000 0.000 0.388 145 D C -0.463 176.001 176.300 0.274 0.000 0.442 145 D CA 0.160 54.209 54.000 0.081 0.000 0.810 145 D CB 0.383 41.106 40.800 -0.127 0.000 1.561 145 D HN 0.103 nan 8.370 nan 0.000 0.174 146 V N 1.904 122.006 119.914 0.313 0.000 2.465 146 V HA 0.337 4.457 4.120 -0.000 0.000 0.279 146 V C 0.063 176.351 176.094 0.322 0.000 1.045 146 V CA -0.325 62.201 62.300 0.377 0.000 0.938 146 V CB 1.604 33.632 31.823 0.341 0.000 0.986 146 V HN 0.133 nan 8.190 nan 0.000 0.467 147 H N 3.308 122.517 119.070 0.231 0.000 2.505 147 H HA 0.673 5.229 4.556 -0.000 0.000 0.338 147 H C -1.504 173.942 175.328 0.198 0.000 1.057 147 H CA -0.778 55.370 56.048 0.165 0.000 1.202 147 H CB 1.948 31.791 29.762 0.136 0.000 1.466 147 H HN 0.473 nan 8.280 nan 0.000 0.499 148 V N 7.846 127.911 119.914 0.252 0.000 2.334 148 V HA 0.239 4.359 4.120 -0.000 0.000 0.281 148 V C 0.044 176.096 176.094 -0.070 0.000 1.016 148 V CA -0.512 61.835 62.300 0.078 0.000 0.832 148 V CB 1.025 32.861 31.823 0.022 0.000 0.999 148 V HN 0.610 nan 8.190 nan 0.000 0.439 149 I N 4.042 124.494 120.570 -0.197 0.000 2.359 149 I HA 0.740 4.910 4.170 -0.000 0.000 0.294 149 I C 0.723 176.804 176.117 -0.060 0.000 0.987 149 I CA -0.156 61.004 61.300 -0.233 0.000 1.225 149 I CB 1.782 39.542 38.000 -0.399 0.000 1.366 149 I HN 0.687 nan 8.210 nan 0.000 0.466 150 G N 4.142 112.919 108.800 -0.038 0.000 2.707 150 G HA2 0.304 4.264 3.960 -0.000 0.000 0.299 150 G HA3 0.304 4.264 3.960 -0.000 0.000 0.299 150 G C -1.592 173.357 174.900 0.082 0.000 1.442 150 G CA -0.359 44.766 45.100 0.042 0.000 1.009 150 G HN 0.659 nan 8.290 nan 0.000 0.515 151 H N 2.557 121.712 119.070 0.143 0.000 2.489 151 H HA 0.513 5.069 4.556 -0.000 0.000 0.322 151 H C 0.902 176.307 175.328 0.129 0.000 1.091 151 H CA 0.628 56.723 56.048 0.078 0.000 1.291 151 H CB 1.621 31.438 29.762 0.092 0.000 1.436 151 H HN 0.725 nan 8.280 nan 0.000 0.480 152 S N 2.833 118.216 115.700 -0.529 0.000 4.139 152 S HA -0.323 4.147 4.470 -0.000 0.000 0.603 152 S C 1.856 176.423 174.600 -0.056 0.000 1.897 152 S CA 1.312 59.395 58.200 -0.196 0.000 4.241 152 S CB -1.144 62.091 63.200 0.057 0.000 0.221 152 S HN 0.720 nan 8.310 nan 0.000 0.488 153 L N 1.575 122.906 121.223 0.180 0.000 2.012 153 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 153 L C 2.801 179.726 176.870 0.092 0.000 1.073 153 L CA 1.831 56.775 54.840 0.174 0.000 0.748 153 L CB -1.221 41.084 42.059 0.411 0.000 0.891 153 L HN 0.822 nan 8.230 nan 0.000 0.431 154 G N -0.321 108.608 108.800 0.216 0.000 2.550 154 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.222 154 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.222 154 G C 1.715 176.599 174.900 -0.027 0.000 1.113 154 G CA 1.074 46.257 45.100 0.138 0.000 0.748 154 G HN 0.523 nan 8.290 nan 0.000 0.585 155 A N 0.381 123.111 122.820 -0.149 0.000 1.858 155 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 155 A C 2.179 179.570 177.584 -0.321 0.000 1.190 155 A CA 1.721 53.584 52.037 -0.290 0.000 0.617 155 A CB -0.707 18.009 19.000 -0.472 0.000 0.827 155 A HN 0.463 nan 8.150 nan 0.000 0.443 156 H N -0.234 118.704 119.070 -0.221 0.000 2.457 156 H HA -0.056 4.500 4.556 -0.000 0.000 0.294 156 H C 2.210 177.484 175.328 -0.091 0.000 1.064 156 H CA 1.690 57.615 56.048 -0.205 0.000 1.330 156 H CB -0.721 28.750 29.762 -0.484 0.000 1.395 156 H HN 0.466 nan 8.280 nan 0.000 0.541 157 T N 0.965 115.502 114.554 -0.029 0.000 2.737 157 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 157 T C 2.408 177.063 174.700 -0.075 0.000 1.038 157 T CA 1.185 63.224 62.100 -0.100 0.000 1.144 157 T CB -0.379 68.340 68.868 -0.249 0.000 0.866 157 T HN 0.446 nan 8.240 nan 0.000 0.434 158 A N 1.756 124.534 122.820 -0.069 0.000 1.892 158 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 158 A C 2.635 180.203 177.584 -0.027 0.000 1.188 158 A CA 2.123 54.127 52.037 -0.054 0.000 0.631 158 A CB -1.216 17.752 19.000 -0.053 0.000 0.822 158 A HN 0.533 nan 8.150 nan 0.000 0.447 159 A N -0.805 122.010 122.820 -0.008 0.000 2.067 159 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 159 A C 1.922 179.545 177.584 0.065 0.000 1.158 159 A CA 2.072 54.128 52.037 0.033 0.000 0.661 159 A CB -0.366 18.674 19.000 0.067 0.000 0.801 159 A HN 0.620 nan 8.150 nan 0.000 0.452 160 E N 0.330 120.573 120.200 0.071 0.000 2.051 160 E HA 0.058 4.408 4.350 -0.000 0.000 0.189 160 E C 2.017 178.651 176.600 0.058 0.000 0.979 160 E CA 1.464 57.924 56.400 0.101 0.000 0.803 160 E CB -0.515 29.247 29.700 0.103 0.000 0.761 160 E HN 0.380 nan 8.360 nan 0.000 0.451 161 A N 0.457 123.284 122.820 0.011 0.000 1.902 161 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 161 A C 2.462 180.039 177.584 -0.011 0.000 1.181 161 A CA 1.849 53.876 52.037 -0.016 0.000 0.623 161 A CB -1.445 17.510 19.000 -0.074 0.000 0.818 161 A HN 0.423 nan 8.150 nan 0.000 0.443 162 G N -0.738 108.060 108.800 -0.002 0.000 2.418 162 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 162 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 162 G C 1.761 176.678 174.900 0.029 0.000 1.158 162 G CA 1.034 46.141 45.100 0.012 0.000 0.771 162 G HN 0.549 nan 8.290 nan 0.000 0.545 163 R N -0.158 120.369 120.500 0.044 0.000 2.075 163 R HA -0.018 4.321 4.340 -0.000 0.000 0.232 163 R C 2.712 179.041 176.300 0.048 0.000 1.126 163 R CA 0.882 57.015 56.100 0.055 0.000 0.963 163 R CB -0.166 30.183 30.300 0.081 0.000 0.858 163 R HN 0.108 nan 8.270 nan 0.000 0.435 164 R N 0.577 121.105 120.500 0.046 0.000 2.117 164 R HA -0.086 4.254 4.340 -0.000 0.000 0.243 164 R C 1.800 178.112 176.300 0.019 0.000 1.143 164 R CA 1.296 57.416 56.100 0.033 0.000 0.968 164 R CB -0.449 29.871 30.300 0.033 0.000 0.863 164 R HN 0.282 nan 8.270 nan 0.000 0.444 165 L N -0.615 120.616 121.223 0.012 0.000 2.627 165 L HA 0.237 4.577 4.340 -0.000 0.000 0.232 165 L C 0.795 177.674 176.870 0.015 0.000 1.150 165 L CA 0.257 55.100 54.840 0.005 0.000 0.917 165 L CB -0.187 41.870 42.059 -0.005 0.000 1.104 165 L HN 0.390 nan 8.230 nan 0.000 0.445 166 G N 0.624 109.438 108.800 0.023 0.000 2.356 166 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.296 166 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.296 166 G C 1.044 175.963 174.900 0.032 0.000 1.022 166 G CA 0.462 45.578 45.100 0.027 0.000 0.961 166 G HN 0.693 nan 8.290 nan 0.000 0.510 167 G N -1.323 107.499 108.800 0.038 0.000 2.168 167 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.263 167 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.263 167 G C 1.242 176.172 174.900 0.050 0.000 0.977 167 G CA 1.305 46.435 45.100 0.050 0.000 0.659 167 G HN 0.880 nan 8.290 nan 0.000 0.533 168 R N -0.540 119.983 120.500 0.037 0.000 2.119 168 R HA 0.165 4.505 4.340 -0.000 0.000 0.222 168 R C 1.713 178.040 176.300 0.044 0.000 1.088 168 R CA 0.742 56.863 56.100 0.034 0.000 0.984 168 R CB -0.050 30.264 30.300 0.023 0.000 0.884 168 R HN 0.570 nan 8.270 nan 0.000 0.447 169 V N 1.442 121.383 119.914 0.046 0.000 2.584 169 V HA -0.028 4.092 4.120 -0.000 0.000 0.303 169 V C 1.319 177.461 176.094 0.080 0.000 1.035 169 V CA 0.492 62.829 62.300 0.062 0.000 1.172 169 V CB 1.222 33.070 31.823 0.042 0.000 0.896 169 V HN 0.434 nan 8.190 nan 0.000 0.486 170 G N 6.539 115.395 108.800 0.094 0.000 2.421 170 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.217 170 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.217 170 G C 0.780 175.748 174.900 0.113 0.000 1.143 170 G CA 0.455 45.610 45.100 0.091 0.000 0.784 170 G HN 0.771 nan 8.290 nan 0.000 0.541 171 R N -0.690 119.874 120.500 0.106 0.000 2.566 171 R HA 0.539 4.879 4.340 -0.000 0.000 0.271 171 R C -1.820 174.554 176.300 0.123 0.000 1.071 171 R CA -0.697 55.435 56.100 0.053 0.000 0.915 171 R CB 1.287 31.508 30.300 -0.132 0.000 1.228 171 R HN 0.031 nan 8.270 nan 0.000 0.449 172 I N 2.728 123.315 120.570 0.029 0.000 2.433 172 I HA 0.320 4.490 4.170 -0.000 0.000 0.292 172 I C -0.410 175.700 176.117 -0.012 0.000 1.001 172 I CA -0.793 60.543 61.300 0.060 0.000 1.119 172 I CB 2.504 40.506 38.000 0.003 0.000 1.289 172 I HN 0.530 nan 8.210 nan 0.000 0.438 173 T N 4.343 118.948 114.554 0.085 0.000 2.772 173 T HA 0.416 4.766 4.350 -0.000 0.000 0.288 173 T C 0.205 174.844 174.700 -0.102 0.000 0.994 173 T CA -0.583 61.517 62.100 -0.001 0.000 0.951 173 T CB 1.313 70.235 68.868 0.090 0.000 0.933 173 T HN 0.782 nan 8.240 nan 0.000 0.447 174 G N 3.253 111.967 108.800 -0.143 0.000 2.356 174 G HA2 0.543 4.503 3.960 -0.000 0.000 0.312 174 G HA3 0.543 4.503 3.960 -0.000 0.000 0.312 174 G C -0.293 174.474 174.900 -0.221 0.000 1.096 174 G CA -0.610 44.369 45.100 -0.202 0.000 0.950 174 G HN 0.728 nan 8.290 nan 0.000 0.428 175 L N 2.987 124.101 121.223 -0.182 0.000 2.302 175 L HA 0.200 4.540 4.340 -0.000 0.000 0.285 175 L C 0.216 176.961 176.870 -0.207 0.000 1.090 175 L CA -0.623 54.129 54.840 -0.147 0.000 0.866 175 L CB 0.670 42.703 42.059 -0.043 0.000 1.244 175 L HN 0.582 nan 8.230 nan 0.000 0.435 176 D N 2.726 122.951 120.400 -0.291 0.000 3.003 176 D HA -0.129 4.511 4.640 -0.000 0.000 0.223 176 D C -2.314 173.813 176.300 -0.288 0.000 1.204 176 D CA 0.015 53.830 54.000 -0.309 0.000 0.828 176 D CB 0.020 40.630 40.800 -0.317 0.000 0.918 176 D HN 0.174 nan 8.370 nan 0.000 0.401 177 P HA 0.200 nan 4.420 nan 0.000 0.265 177 P C -0.503 176.747 177.300 -0.083 0.000 1.193 177 P CA -0.040 62.842 63.100 -0.365 0.000 0.765 177 P CB 0.836 32.233 31.700 -0.505 0.000 0.823 178 A N 3.735 126.557 122.820 0.003 0.000 2.567 178 A HA 0.276 4.596 4.320 -0.000 0.000 0.240 178 A C 1.747 179.436 177.584 0.175 0.000 1.053 178 A CA 0.774 52.909 52.037 0.163 0.000 0.755 178 A CB -0.539 18.634 19.000 0.288 0.000 0.978 178 A HN 0.697 nan 8.150 nan 0.000 0.507 179 G N 2.483 111.292 108.800 0.016 0.000 2.437 179 G HA2 0.182 4.142 3.960 -0.000 0.000 0.212 179 G HA3 0.182 4.142 3.960 -0.000 0.000 0.212 179 G C -1.819 173.118 174.900 0.062 0.000 1.174 179 G CA -0.018 45.119 45.100 0.061 0.000 0.811 179 G HN 0.611 nan 8.290 nan 0.000 0.537 180 P HA 0.263 nan 4.420 nan 0.000 0.262 180 P C 0.158 177.556 177.300 0.164 0.000 1.199 180 P CA 0.045 63.097 63.100 -0.079 0.000 0.763 180 P CB 0.522 32.000 31.700 -0.369 0.000 0.790 181 C N 1.277 120.552 119.300 -0.041 0.000 5.731 181 C HA -0.181 4.279 4.460 -0.000 0.000 0.226 181 C C 1.271 175.849 174.990 -0.687 0.000 1.398 181 C CA 0.590 59.383 59.018 -0.375 0.000 1.253 181 C CB -2.710 24.687 27.740 -0.572 0.000 2.267 181 C HN 0.600 nan 8.230 nan 0.000 0.620 182 F N -0.632 119.220 119.950 -0.163 0.000 2.640 182 F HA 0.259 4.786 4.527 -0.000 0.000 0.285 182 F C 1.150 176.869 175.800 -0.136 0.000 1.031 182 F CA 0.506 58.353 58.000 -0.255 0.000 1.240 182 F CB -0.391 38.276 39.000 -0.556 0.000 1.011 182 F HN 0.191 nan 8.300 nan 0.000 0.656 183 Q N 1.627 121.504 119.800 0.130 0.000 2.286 183 Q HA -0.005 4.335 4.340 -0.000 0.000 0.290 183 Q C -0.305 175.711 176.000 0.027 0.000 1.049 183 Q CA 0.749 56.603 55.803 0.086 0.000 0.923 183 Q CB 0.061 28.842 28.738 0.072 0.000 1.183 183 Q HN 0.268 nan 8.270 nan 0.000 0.383 184 D N 1.737 122.154 120.400 0.028 0.000 2.911 184 D HA -0.171 4.469 4.640 -0.000 0.000 0.227 184 D C -0.939 175.341 176.300 -0.033 0.000 1.164 184 D CA 1.182 55.182 54.000 -0.000 0.000 0.782 184 D CB -0.385 40.414 40.800 -0.002 0.000 1.094 184 D HN 0.552 nan 8.370 nan 0.000 0.425 185 E N -0.619 119.552 120.200 -0.047 0.000 2.239 185 E HA 0.497 4.847 4.350 -0.000 0.000 0.261 185 E C -2.169 174.374 176.600 -0.096 0.000 1.016 185 E CA -1.753 54.587 56.400 -0.100 0.000 0.882 185 E CB 0.434 30.040 29.700 -0.157 0.000 1.190 185 E HN -0.020 nan 8.360 nan 0.000 0.415 186 P HA 0.038 nan 4.420 nan 0.000 0.269 186 P C 0.309 177.534 177.300 -0.126 0.000 1.209 186 P CA 0.212 63.233 63.100 -0.132 0.000 0.776 186 P CB 0.510 32.100 31.700 -0.183 0.000 0.876 187 E N 1.013 121.165 120.200 -0.080 0.000 2.219 187 E HA -0.271 4.079 4.350 -0.000 0.000 0.198 187 E C 1.358 177.923 176.600 -0.059 0.000 0.998 187 E CA 1.227 57.599 56.400 -0.047 0.000 0.818 187 E CB -0.046 29.639 29.700 -0.025 0.000 0.741 187 E HN 0.544 nan 8.360 nan 0.000 0.477 188 E N 0.130 120.257 120.200 -0.122 0.000 2.150 188 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 188 E C 1.874 178.363 176.600 -0.184 0.000 0.985 188 E CA 1.015 57.342 56.400 -0.121 0.000 0.814 188 E CB 0.290 29.893 29.700 -0.162 0.000 0.752 188 E HN 0.254 nan 8.360 nan 0.000 0.466 189 V N -1.264 118.444 119.914 -0.343 0.000 3.596 189 V HA 0.309 4.429 4.120 -0.000 0.000 0.289 189 V C 0.353 176.449 176.094 0.003 0.000 1.336 189 V CA 0.181 62.251 62.300 -0.383 0.000 1.137 189 V CB -0.885 30.549 31.823 -0.648 0.000 0.966 189 V HN 0.146 nan 8.190 nan 0.000 0.428 190 R N -0.978 119.560 120.500 0.062 0.000 2.766 190 R HA 0.652 4.992 4.340 -0.000 0.000 0.270 190 R C -1.338 175.086 176.300 0.207 0.000 1.035 190 R CA -1.062 55.148 56.100 0.184 0.000 0.911 190 R CB 1.107 31.478 30.300 0.118 0.000 1.243 190 R HN 0.062 nan 8.270 nan 0.000 0.460 191 L N 2.369 123.784 121.223 0.320 0.000 2.453 191 L HA 0.324 4.664 4.340 -0.000 0.000 0.272 191 L C -0.910 176.000 176.870 0.066 0.000 1.182 191 L CA 1.059 55.968 54.840 0.116 0.000 0.858 191 L CB 0.420 42.469 42.059 -0.017 0.000 1.120 191 L HN 0.840 nan 8.230 nan 0.000 0.474 192 D N 2.860 123.273 120.400 0.021 0.000 2.683 192 D HA 0.185 4.825 4.640 -0.000 0.000 0.246 192 D C -2.783 173.491 176.300 -0.044 0.000 1.238 192 D CA -1.298 52.697 54.000 -0.008 0.000 0.759 192 D CB 1.365 42.168 40.800 0.004 0.000 1.349 192 D HN 0.175 nan 8.370 nan 0.000 0.426 193 P HA -0.148 nan 4.420 nan 0.000 0.223 193 P C 1.596 178.867 177.300 -0.047 0.000 1.144 193 P CA 1.738 64.699 63.100 -0.232 0.000 0.783 193 P CB 0.073 31.492 31.700 -0.467 0.000 0.771 194 S N -0.852 114.845 115.700 -0.004 0.000 2.442 194 S HA -0.164 4.306 4.470 -0.000 0.000 0.236 194 S C 1.510 176.146 174.600 0.060 0.000 1.007 194 S CA 1.244 59.470 58.200 0.043 0.000 0.965 194 S CB -1.033 62.185 63.200 0.029 0.000 0.773 194 S HN 0.108 nan 8.310 nan 0.000 0.504 195 D N 1.643 122.073 120.400 0.049 0.000 2.363 195 D HA 0.420 5.060 4.640 -0.000 0.000 0.220 195 D C 0.700 177.037 176.300 0.061 0.000 0.994 195 D CA 0.873 54.903 54.000 0.050 0.000 0.890 195 D CB 0.473 41.296 40.800 0.038 0.000 0.906 195 D HN 0.601 nan 8.370 nan 0.000 0.530 196 A N -0.741 122.135 122.820 0.094 0.000 2.599 196 A HA 0.384 4.704 4.320 -0.000 0.000 0.290 196 A C 0.844 178.523 177.584 0.158 0.000 1.101 196 A CA -0.552 51.548 52.037 0.105 0.000 0.674 196 A CB 0.678 19.730 19.000 0.086 0.000 1.277 196 A HN -0.145 nan 8.150 nan 0.000 0.419 197 V N -0.357 119.634 119.914 0.128 0.000 2.407 197 V HA -0.022 4.098 4.120 -0.000 0.000 0.248 197 V C 0.602 176.777 176.094 0.136 0.000 1.055 197 V CA 2.371 64.738 62.300 0.112 0.000 1.049 197 V CB -0.676 31.188 31.823 0.069 0.000 0.662 197 V HN 0.773 nan 8.190 nan 0.000 0.455 198 F N 0.018 119.961 119.950 -0.011 0.000 2.536 198 F HA 0.659 5.186 4.527 -0.000 0.000 0.322 198 F C -0.858 175.035 175.800 0.155 0.000 1.144 198 F CA -1.548 56.432 58.000 -0.034 0.000 0.924 198 F CB 1.579 40.528 39.000 -0.084 0.000 1.181 198 F HN -0.280 nan 8.300 nan 0.000 0.438 199 V N 6.487 126.420 119.914 0.032 0.000 2.409 199 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 199 V C -0.999 174.858 176.094 -0.395 0.000 1.020 199 V CA -0.669 61.501 62.300 -0.218 0.000 0.848 199 V CB 1.568 33.364 31.823 -0.044 0.000 0.990 199 V HN 0.698 nan 8.190 nan 0.000 0.430 200 D N 4.658 124.741 120.400 -0.528 0.000 2.362 200 D HA 0.567 5.207 4.640 -0.000 0.000 0.247 200 D C -0.856 175.401 176.300 -0.072 0.000 1.050 200 D CA -0.501 53.377 54.000 -0.203 0.000 0.839 200 D CB 2.441 43.162 40.800 -0.131 0.000 1.283 200 D HN 0.206 nan 8.370 nan 0.000 0.477 201 V N 2.166 122.090 119.914 0.017 0.000 2.604 201 V HA 0.399 4.519 4.120 -0.000 0.000 0.305 201 V C 0.139 176.198 176.094 -0.058 0.000 1.043 201 V CA -0.869 61.364 62.300 -0.111 0.000 0.888 201 V CB 1.819 33.503 31.823 -0.233 0.000 0.995 201 V HN 0.527 nan 8.190 nan 0.000 0.429 202 I N 4.331 124.788 120.570 -0.188 0.000 2.328 202 I HA 0.373 4.543 4.170 -0.000 0.000 0.287 202 I C -0.199 175.742 176.117 -0.294 0.000 1.012 202 I CA -0.357 60.846 61.300 -0.162 0.000 1.195 202 I CB 0.663 38.589 38.000 -0.124 0.000 1.350 202 I HN 0.576 nan 8.210 nan 0.000 0.464 203 H N 5.348 124.241 119.070 -0.294 0.000 2.652 203 H HA 0.219 4.775 4.556 -0.000 0.000 0.298 203 H C 0.594 175.874 175.328 -0.079 0.000 1.076 203 H CA -0.047 55.854 56.048 -0.246 0.000 1.360 203 H CB 1.334 30.797 29.762 -0.499 0.000 1.421 203 H HN 0.677 nan 8.280 nan 0.000 0.464 204 T N -1.380 113.206 114.554 0.053 0.000 2.969 204 T HA -0.038 4.312 4.350 -0.000 0.000 0.258 204 T C 0.632 175.386 174.700 0.089 0.000 0.962 204 T CA -0.147 61.992 62.100 0.065 0.000 0.903 204 T CB 0.391 69.242 68.868 -0.027 0.000 1.177 204 T HN 0.340 nan 8.240 nan 0.000 0.511 205 D N 2.575 123.057 120.400 0.136 0.000 2.945 205 D HA 0.268 4.908 4.640 -0.000 0.000 0.366 205 D C -0.285 176.133 176.300 0.196 0.000 1.352 205 D CA -0.353 53.755 54.000 0.180 0.000 0.810 205 D CB 0.455 41.421 40.800 0.276 0.000 1.170 205 D HN 0.442 nan 8.370 nan 0.000 0.461 206 S N -0.238 115.578 115.700 0.195 0.000 2.548 206 S HA 0.659 5.129 4.470 -0.000 0.000 0.277 206 S C 0.275 174.964 174.600 0.147 0.000 1.315 206 S CA -0.578 57.747 58.200 0.209 0.000 1.050 206 S CB 1.585 64.961 63.200 0.293 0.000 0.918 206 S HN 0.248 nan 8.310 nan 0.000 0.497 207 S N 1.649 117.422 115.700 0.122 0.000 2.638 207 S HA 0.769 5.239 4.470 -0.000 0.000 0.274 207 S C -3.300 171.338 174.600 0.064 0.000 1.157 207 S CA -1.492 56.756 58.200 0.081 0.000 0.826 207 S CB 1.407 64.646 63.200 0.064 0.000 1.139 207 S HN 0.541 nan 8.310 nan 0.000 0.474 208 P HA 0.299 nan 4.420 nan 0.000 0.277 208 P C 1.329 178.639 177.300 0.017 0.000 1.276 208 P CA -0.767 62.351 63.100 0.031 0.000 0.788 208 P CB 0.283 31.997 31.700 0.023 0.000 1.114 209 I N -2.183 118.391 120.570 0.007 0.000 2.286 209 I HA 0.040 4.210 4.170 -0.000 0.000 0.245 209 I C 0.494 176.608 176.117 -0.006 0.000 1.104 209 I CA 1.367 62.662 61.300 -0.008 0.000 1.397 209 I CB -0.816 37.175 38.000 -0.015 0.000 1.072 209 I HN -0.102 nan 8.210 nan 0.000 0.417 210 V N 4.270 124.184 119.914 0.001 0.000 2.569 210 V HA 0.432 4.552 4.120 -0.000 0.000 0.301 210 V C -2.185 173.913 176.094 0.008 0.000 1.044 210 V CA -1.079 61.223 62.300 0.004 0.000 0.874 210 V CB 1.869 33.693 31.823 0.001 0.000 1.002 210 V HN 0.256 nan 8.190 nan 0.000 0.424 211 P HA 0.231 nan 4.420 nan 0.000 0.274 211 P C -0.404 176.906 177.300 0.016 0.000 1.231 211 P CA -0.259 62.849 63.100 0.013 0.000 0.790 211 P CB 1.193 32.903 31.700 0.016 0.000 0.951 212 S N 1.466 117.176 115.700 0.016 0.000 2.473 212 S HA 0.225 4.695 4.470 -0.000 0.000 0.312 212 S C 0.961 175.580 174.600 0.032 0.000 1.087 212 S CA -0.707 57.504 58.200 0.019 0.000 1.077 212 S CB -1.053 62.156 63.200 0.015 0.000 1.065 212 S HN 0.326 nan 8.310 nan 0.000 0.510 213 L N 4.095 125.342 121.223 0.039 0.000 2.628 213 L HA 0.470 4.810 4.340 -0.000 0.000 0.229 213 L C 1.112 178.021 176.870 0.065 0.000 1.137 213 L CA -0.285 54.584 54.840 0.047 0.000 0.909 213 L CB -0.604 41.483 42.059 0.047 0.000 1.137 213 L HN 0.735 nan 8.230 nan 0.000 0.470 214 G N -1.202 107.646 108.800 0.080 0.000 2.337 214 G HA2 0.071 4.031 3.960 -0.000 0.000 0.298 214 G HA3 0.071 4.031 3.960 -0.000 0.000 0.298 214 G C -1.032 173.961 174.900 0.156 0.000 1.335 214 G CA -0.629 44.546 45.100 0.124 0.000 0.875 214 G HN -0.206 nan 8.290 nan 0.000 0.579 215 F N 0.884 120.839 119.950 0.008 0.000 2.720 215 F HA 0.444 4.971 4.527 -0.000 0.000 0.301 215 F C 1.678 177.535 175.800 0.095 0.000 1.103 215 F CA 0.929 58.904 58.000 -0.042 0.000 1.291 215 F CB 0.547 39.353 39.000 -0.323 0.000 1.086 215 F HN 0.743 nan 8.300 nan 0.000 0.592 216 G N 0.410 109.379 108.800 0.281 0.000 2.535 216 G HA2 0.387 4.347 3.960 -0.000 0.000 0.282 216 G HA3 0.387 4.347 3.960 -0.000 0.000 0.282 216 G C -0.611 174.383 174.900 0.157 0.000 1.350 216 G CA -0.652 44.587 45.100 0.231 0.000 1.039 216 G HN 0.002 nan 8.290 nan 0.000 0.509 217 M N 0.459 120.172 119.600 0.188 0.000 2.268 217 M HA 0.189 4.669 4.480 -0.000 0.000 0.344 217 M C 1.408 177.896 176.300 0.313 0.000 1.106 217 M CA -0.574 54.855 55.300 0.215 0.000 1.010 217 M CB 2.345 35.071 32.600 0.211 0.000 1.649 217 M HN 0.650 nan 8.290 nan 0.000 0.443 218 S N 1.165 116.994 115.700 0.214 0.000 2.395 218 S HA -0.077 4.393 4.470 -0.000 0.000 0.225 218 S C 0.827 175.534 174.600 0.179 0.000 1.027 218 S CA 0.170 58.484 58.200 0.190 0.000 0.965 218 S CB -0.144 63.115 63.200 0.099 0.000 0.812 218 S HN 0.797 nan 8.310 nan 0.000 0.482 219 Q N 2.019 121.922 119.800 0.171 0.000 2.286 219 Q HA 0.100 4.440 4.340 -0.000 0.000 0.290 219 Q C -1.116 175.012 176.000 0.213 0.000 1.049 219 Q CA 0.143 56.036 55.803 0.150 0.000 0.923 219 Q CB 0.350 29.162 28.738 0.123 0.000 1.183 219 Q HN 0.288 nan 8.270 nan 0.000 0.383 220 K N 2.623 123.119 120.400 0.160 0.000 2.322 220 K HA 0.163 4.483 4.320 -0.000 0.000 0.283 220 K C -0.097 176.577 176.600 0.124 0.000 1.042 220 K CA -0.099 56.291 56.287 0.172 0.000 0.958 220 K CB 1.224 33.802 32.500 0.131 0.000 0.984 220 K HN 0.545 nan 8.250 nan 0.000 0.473 221 V N -0.818 119.168 119.914 0.120 0.000 3.047 221 V HA 0.516 4.636 4.120 -0.000 0.000 0.374 221 V C 0.143 176.225 176.094 -0.020 0.000 1.399 221 V CA -0.275 62.052 62.300 0.046 0.000 1.251 221 V CB 0.399 32.258 31.823 0.060 0.000 1.228 221 V HN 0.699 nan 8.190 nan 0.000 0.589 222 G N -0.667 108.116 108.800 -0.028 0.000 2.788 222 G HA2 0.545 4.505 3.960 -0.000 0.000 0.293 222 G HA3 0.545 4.505 3.960 -0.000 0.000 0.293 222 G C -0.395 174.435 174.900 -0.116 0.000 1.392 222 G CA -0.214 44.832 45.100 -0.090 0.000 0.810 222 G HN 0.244 nan 8.290 nan 0.000 0.508 223 H N -0.970 118.168 119.070 0.114 0.000 2.333 223 H HA 0.199 4.755 4.556 -0.000 0.000 0.302 223 H C 0.652 176.120 175.328 0.233 0.000 1.075 223 H CA 1.030 57.200 56.048 0.202 0.000 1.348 223 H CB -0.056 29.903 29.762 0.328 0.000 1.393 223 H HN 0.053 nan 8.280 nan 0.000 0.509 224 L N 1.234 122.668 121.223 0.352 0.000 2.296 224 L HA 0.355 4.695 4.340 -0.000 0.000 0.286 224 L C -1.045 175.852 176.870 0.045 0.000 1.023 224 L CA -0.604 54.352 54.840 0.193 0.000 0.812 224 L CB 1.878 43.983 42.059 0.076 0.000 1.223 224 L HN 0.075 nan 8.230 nan 0.000 0.421 225 D N 2.898 123.293 120.400 -0.008 0.000 2.453 225 D HA 0.456 5.096 4.640 -0.000 0.000 0.238 225 D C -0.944 175.223 176.300 -0.223 0.000 1.088 225 D CA -0.110 53.860 54.000 -0.049 0.000 0.854 225 D CB 1.119 41.938 40.800 0.031 0.000 1.076 225 D HN 0.126 nan 8.370 nan 0.000 0.533 226 F N 1.759 121.612 119.950 -0.162 0.000 2.404 226 F HA 0.437 4.964 4.527 -0.000 0.000 0.345 226 F C 0.171 175.684 175.800 -0.478 0.000 1.110 226 F CA -0.723 57.157 58.000 -0.200 0.000 1.130 226 F CB 0.669 39.574 39.000 -0.158 0.000 1.129 226 F HN 0.273 nan 8.300 nan 0.000 0.500 227 F N 4.024 123.884 119.950 -0.150 0.000 2.449 227 F HA 0.315 4.842 4.527 -0.000 0.000 0.329 227 F C -2.266 173.471 175.800 -0.106 0.000 1.245 227 F CA -2.612 55.277 58.000 -0.185 0.000 1.193 227 F CB 0.290 39.008 39.000 -0.470 0.000 1.425 227 F HN 0.177 nan 8.300 nan 0.000 0.544 228 P HA -0.053 nan 4.420 nan 0.000 0.264 228 P C -0.041 177.266 177.300 0.012 0.000 1.193 228 P CA 0.511 63.607 63.100 -0.007 0.000 0.763 228 P CB 0.526 32.117 31.700 -0.183 0.000 0.810 229 N N 2.401 121.113 118.700 0.019 0.000 2.725 229 N HA -0.229 4.511 4.740 -0.000 0.000 0.249 229 N C 1.058 176.249 175.510 -0.532 0.000 1.103 229 N CA 1.601 54.636 53.050 -0.026 0.000 0.707 229 N CB -1.876 36.668 38.487 0.095 0.000 1.043 229 N HN 0.868 nan 8.380 nan 0.000 0.553 230 G N -1.849 106.467 108.800 -0.807 0.000 2.241 230 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.244 230 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.244 230 G C 1.072 175.911 174.900 -0.102 0.000 0.998 230 G CA 1.125 45.675 45.100 -0.916 0.000 0.621 230 G HN 1.608 nan 8.290 nan 0.000 0.519 231 G N -0.494 108.332 108.800 0.043 0.000 2.349 231 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.213 231 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.213 231 G C 1.071 176.071 174.900 0.166 0.000 1.044 231 G CA 1.021 46.274 45.100 0.254 0.000 0.633 231 G HN 0.984 nan 8.290 nan 0.000 0.506 232 K N 0.453 120.905 120.400 0.088 0.000 2.166 232 K HA 0.263 4.583 4.320 -0.000 0.000 0.201 232 K C 0.367 177.012 176.600 0.075 0.000 1.052 232 K CA 0.943 57.282 56.287 0.087 0.000 0.969 232 K CB 0.297 32.836 32.500 0.065 0.000 0.761 232 K HN 0.438 nan 8.250 nan 0.000 0.459 233 E N 0.889 121.124 120.200 0.059 0.000 2.294 233 E HA 0.215 4.565 4.350 -0.000 0.000 0.272 233 E C -1.024 175.622 176.600 0.076 0.000 0.896 233 E CA -0.366 56.072 56.400 0.064 0.000 0.802 233 E CB 1.730 31.469 29.700 0.065 0.000 1.267 233 E HN -0.052 nan 8.360 nan 0.000 0.406 234 M N 2.989 122.635 119.600 0.077 0.000 2.314 234 M HA 0.376 4.856 4.480 -0.000 0.000 0.342 234 M C -2.315 174.055 176.300 0.117 0.000 1.171 234 M CA -2.945 52.422 55.300 0.112 0.000 1.098 234 M CB -0.009 32.649 32.600 0.097 0.000 1.559 234 M HN 0.182 nan 8.290 nan 0.000 0.459 235 P HA 0.253 nan 4.420 nan 0.000 0.271 235 P C 0.566 177.965 177.300 0.164 0.000 1.220 235 P CA 0.393 63.590 63.100 0.161 0.000 0.768 235 P CB 0.656 32.474 31.700 0.197 0.000 0.848 236 G N 1.961 110.838 108.800 0.128 0.000 2.143 236 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.175 236 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.175 236 G C -0.008 174.939 174.900 0.078 0.000 1.004 236 G CA -0.271 44.902 45.100 0.122 0.000 0.671 236 G HN 0.597 nan 8.290 nan 0.000 0.512 237 c N 1.804 120.439 118.600 0.058 0.000 3.163 237 c HA 0.688 5.258 4.570 -0.000 0.000 0.228 237 c C 0.837 174.943 174.090 0.027 0.000 1.593 237 c CA -0.843 55.503 56.329 0.030 0.000 1.489 237 c CB -0.943 41.574 42.510 0.013 0.000 2.294 237 c HN 0.631 nan 8.230 nan 0.000 0.508 254 G N 2.498 111.298 108.800 -0.000 0.000 3.434 254 G HA2 0.142 4.102 3.960 -0.000 0.000 0.258 254 G HA3 0.142 4.102 3.960 -0.000 0.000 0.258 254 G C 0.610 175.501 174.900 -0.014 0.000 1.128 254 G CA -0.161 44.939 45.100 -0.000 0.000 0.792 254 G HN 0.535 nan 8.290 nan 0.000 0.539 255 I N 1.272 121.827 120.570 -0.024 0.000 3.616 255 I HA 0.136 4.306 4.170 -0.000 0.000 0.306 255 I C 1.499 177.550 176.117 -0.109 0.000 1.232 255 I CA 0.401 61.691 61.300 -0.017 0.000 1.182 255 I CB 0.286 38.290 38.000 0.005 0.000 1.007 255 I HN 0.214 nan 8.210 nan 0.000 0.479 256 G N -0.282 108.365 108.800 -0.255 0.000 5.482 256 G HA2 0.164 4.124 3.960 -0.000 0.000 0.208 256 G HA3 0.164 4.124 3.960 -0.000 0.000 0.208 256 G C 1.018 175.421 174.900 -0.828 0.000 0.756 256 G CA 0.105 44.825 45.100 -0.633 0.000 0.682 256 G HN 0.330 nan 8.290 nan 0.000 0.405 257 G N 1.238 109.724 108.800 -0.522 0.000 2.485 257 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.221 257 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.221 257 G C 1.476 176.028 174.900 -0.579 0.000 1.115 257 G CA 1.421 46.322 45.100 -0.331 0.000 0.751 257 G HN 0.703 nan 8.290 nan 0.000 0.567 258 F N -0.698 118.728 119.950 -0.873 0.000 2.748 258 F HA 0.403 4.930 4.527 -0.000 0.000 0.299 258 F C 1.585 177.155 175.800 -0.384 0.000 1.154 258 F CA 0.064 57.340 58.000 -1.206 0.000 1.446 258 F CB -0.103 38.040 39.000 -1.429 0.000 1.112 258 F HN -0.009 nan 8.300 nan 0.000 0.584 259 V N 0.864 120.461 119.914 -0.528 0.000 3.176 259 V HA 0.256 4.376 4.120 -0.000 0.000 0.332 259 V C 0.786 176.786 176.094 -0.156 0.000 1.414 259 V CA 0.119 62.307 62.300 -0.186 0.000 1.133 259 V CB -0.869 30.825 31.823 -0.214 0.000 1.088 259 V HN 0.458 nan 8.190 nan 0.000 0.473 260 S N -0.975 114.625 115.700 -0.166 0.000 2.589 260 S HA -0.025 4.445 4.470 -0.000 0.000 0.265 260 S C 1.612 176.182 174.600 -0.050 0.000 1.342 260 S CA 0.546 58.689 58.200 -0.094 0.000 1.005 260 S CB 1.024 64.183 63.200 -0.069 0.000 0.909 260 S HN 0.568 nan 8.310 nan 0.000 0.555 261 c N 2.533 121.095 118.600 -0.064 0.000 2.432 261 c HA -0.084 4.486 4.570 -0.000 0.000 0.277 261 c C 2.542 176.552 174.090 -0.133 0.000 1.249 261 c CA 1.392 57.662 56.329 -0.099 0.000 1.725 261 c CB -1.931 40.539 42.510 -0.066 0.000 2.028 261 c HN 0.937 nan 8.230 nan 0.000 0.477 262 N N -0.042 118.621 118.700 -0.061 0.000 2.104 262 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 262 N C 1.549 177.027 175.510 -0.054 0.000 1.024 262 N CA 1.971 54.990 53.050 -0.051 0.000 0.853 262 N CB -0.905 37.598 38.487 0.027 0.000 1.008 262 N HN 0.756 nan 8.380 nan 0.000 0.424 263 H N 1.031 120.051 119.070 -0.084 0.000 2.321 263 H HA 0.113 4.669 4.556 -0.000 0.000 0.300 263 H C 1.883 177.136 175.328 -0.125 0.000 1.087 263 H CA 1.280 57.315 56.048 -0.021 0.000 1.319 263 H CB -0.236 29.562 29.762 0.060 0.000 1.379 263 H HN 0.086 nan 8.280 nan 0.000 0.501 264 L N -0.171 120.897 121.223 -0.258 0.000 2.551 264 L HA -0.006 4.334 4.340 -0.000 0.000 0.228 264 L C 2.391 178.479 176.870 -1.303 0.000 1.153 264 L CA 0.609 54.950 54.840 -0.831 0.000 0.851 264 L CB -0.231 41.483 42.059 -0.575 0.000 0.959 264 L HN 0.171 nan 8.230 nan 0.000 0.451 265 R N 0.814 120.803 120.500 -0.852 0.000 2.115 265 R HA -0.123 4.217 4.340 -0.000 0.000 0.226 265 R C 2.628 178.205 176.300 -1.206 0.000 1.100 265 R CA 1.350 56.813 56.100 -1.062 0.000 0.980 265 R CB -0.111 29.695 30.300 -0.823 0.000 0.875 265 R HN 0.449 nan 8.270 nan 0.000 0.445 266 S N 0.435 115.675 115.700 -0.766 0.000 2.365 266 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 266 S C 1.854 176.187 174.600 -0.446 0.000 1.039 266 S CA 1.600 59.525 58.200 -0.459 0.000 1.033 266 S CB -0.967 62.064 63.200 -0.281 0.000 0.887 266 S HN 0.579 nan 8.310 nan 0.000 0.447 267 F N 1.579 121.183 119.950 -0.578 0.000 2.661 267 F HA 0.402 4.929 4.527 -0.000 0.000 0.298 267 F C 1.900 177.479 175.800 -0.368 0.000 1.137 267 F CA 0.142 57.804 58.000 -0.563 0.000 1.454 267 F CB -0.465 37.827 39.000 -1.179 0.000 1.103 267 F HN 0.145 nan 8.300 nan 0.000 0.577 268 E N 0.131 119.977 120.200 -0.590 0.000 2.086 268 E HA -0.125 4.225 4.350 -0.000 0.000 0.190 268 E C 1.738 178.197 176.600 -0.235 0.000 0.975 268 E CA 0.961 57.148 56.400 -0.355 0.000 0.813 268 E CB -0.390 28.937 29.700 -0.622 0.000 0.768 268 E HN 0.409 nan 8.360 nan 0.000 0.457 269 Y N -0.001 120.031 120.300 -0.447 0.000 2.128 269 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 269 Y C 2.228 177.773 175.900 -0.592 0.000 1.154 269 Y CA 0.921 58.645 58.100 -0.626 0.000 1.149 269 Y CB -1.133 36.905 38.460 -0.703 0.000 0.976 269 Y HN 0.151 nan 8.280 nan 0.000 0.505 270 Y N 0.165 120.317 120.300 -0.248 0.000 2.070 270 Y HA -0.273 4.277 4.550 -0.000 0.000 0.279 270 Y C 2.803 178.657 175.900 -0.078 0.000 1.134 270 Y CA 2.119 60.116 58.100 -0.171 0.000 1.113 270 Y CB -0.636 37.770 38.460 -0.089 0.000 0.981 270 Y HN -0.022 nan 8.280 nan 0.000 0.487 271 S N -0.803 115.024 115.700 0.211 0.000 2.407 271 S HA -0.292 4.178 4.470 -0.000 0.000 0.235 271 S C 2.243 176.887 174.600 0.074 0.000 1.036 271 S CA 1.498 59.795 58.200 0.162 0.000 1.013 271 S CB -0.703 62.621 63.200 0.207 0.000 0.820 271 S HN 0.595 nan 8.310 nan 0.000 0.476 272 S N 1.118 116.877 115.700 0.098 0.000 2.357 272 S HA -0.111 4.359 4.470 -0.000 0.000 0.221 272 S C 2.213 176.945 174.600 0.219 0.000 1.031 272 S CA 1.660 59.997 58.200 0.229 0.000 0.982 272 S CB -0.555 62.932 63.200 0.479 0.000 0.853 272 S HN 0.726 nan 8.310 nan 0.000 0.458 273 S N 1.306 117.049 115.700 0.073 0.000 2.387 273 S HA -0.116 4.354 4.470 -0.000 0.000 0.230 273 S C 1.810 176.479 174.600 0.115 0.000 1.035 273 S CA 1.541 59.811 58.200 0.116 0.000 1.014 273 S CB -1.225 61.852 63.200 -0.205 0.000 0.836 273 S HN 0.370 nan 8.310 nan 0.000 0.466 274 V N 1.778 121.625 119.914 -0.112 0.000 2.439 274 V HA -0.176 3.944 4.120 -0.000 0.000 0.253 274 V C 2.355 178.509 176.094 0.100 0.000 1.074 274 V CA 2.129 64.335 62.300 -0.157 0.000 1.076 274 V CB -0.834 30.810 31.823 -0.297 0.000 0.664 274 V HN 0.549 nan 8.190 nan 0.000 0.461 275 L N -0.906 120.394 121.223 0.127 0.000 2.515 275 L HA 0.244 4.584 4.340 -0.000 0.000 0.223 275 L C 0.385 177.356 176.870 0.169 0.000 1.079 275 L CA 0.294 55.221 54.840 0.145 0.000 0.857 275 L CB 0.006 42.136 42.059 0.118 0.000 1.050 275 L HN 0.342 nan 8.230 nan 0.000 0.476 276 N N 0.446 119.272 118.700 0.209 0.000 2.851 276 N HA 0.208 4.948 4.740 -0.000 0.000 0.248 276 N C -2.197 173.418 175.510 0.174 0.000 1.221 276 N CA -1.114 52.050 53.050 0.190 0.000 0.847 276 N CB 1.415 40.016 38.487 0.190 0.000 1.150 276 N HN -0.144 nan 8.380 nan 0.000 0.507 277 P HA -0.161 nan 4.420 nan 0.000 0.215 277 P C 0.722 178.033 177.300 0.018 0.000 1.157 277 P CA 1.536 64.617 63.100 -0.030 0.000 0.874 277 P CB 0.220 31.631 31.700 -0.481 0.000 0.790 278 D N -1.879 118.517 120.400 -0.006 0.000 2.358 278 D HA 0.080 4.720 4.640 -0.000 0.000 0.224 278 D C 1.724 177.806 176.300 -0.364 0.000 1.123 278 D CA 0.160 54.121 54.000 -0.065 0.000 0.833 278 D CB -1.029 39.813 40.800 0.069 0.000 0.946 278 D HN 0.102 nan 8.370 nan 0.000 0.505 279 G N 0.162 108.716 108.800 -0.410 0.000 2.470 279 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 279 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 279 G C 0.377 174.440 174.900 -1.394 0.000 1.121 279 G CA 0.262 44.705 45.100 -1.096 0.000 0.766 279 G HN 0.300 nan 8.290 nan 0.000 0.553 280 F N 0.286 119.991 119.950 -0.407 0.000 2.688 280 F HA 0.428 4.955 4.527 -0.000 0.000 0.376 280 F C 0.231 175.859 175.800 -0.288 0.000 1.428 280 F CA -0.985 56.812 58.000 -0.339 0.000 1.156 280 F CB 0.346 39.152 39.000 -0.324 0.000 1.141 280 F HN -0.207 nan 8.300 nan 0.000 0.521 281 L N 1.544 122.645 121.223 -0.203 0.000 2.540 281 L HA 0.245 4.585 4.340 -0.000 0.000 0.276 281 L C 1.004 177.817 176.870 -0.094 0.000 1.212 281 L CA 0.087 54.809 54.840 -0.197 0.000 0.893 281 L CB 0.239 42.122 42.059 -0.292 0.000 1.138 281 L HN 0.475 nan 8.230 nan 0.000 0.491 282 G N 2.836 111.586 108.800 -0.083 0.000 2.356 282 G HA2 0.498 4.458 3.960 -0.000 0.000 0.322 282 G HA3 0.498 4.458 3.960 -0.000 0.000 0.322 282 G C -1.370 173.566 174.900 0.061 0.000 1.125 282 G CA -0.304 44.870 45.100 0.124 0.000 0.885 282 G HN 0.356 nan 8.290 nan 0.000 0.467 283 Y N 1.764 122.270 120.300 0.343 0.000 2.360 283 Y HA 0.417 4.967 4.550 -0.000 0.000 0.337 283 Y C -1.965 174.175 175.900 0.401 0.000 1.039 283 Y CA -2.490 55.838 58.100 0.380 0.000 1.109 283 Y CB 2.474 41.207 38.460 0.456 0.000 1.201 283 Y HN 0.333 nan 8.280 nan 0.000 0.458 284 P HA 0.274 nan 4.420 nan 0.000 0.282 284 P C -0.814 176.564 177.300 0.130 0.000 1.262 284 P CA -0.172 62.930 63.100 0.004 0.000 0.773 284 P CB 0.834 32.509 31.700 -0.041 0.000 0.879 285 c N 2.346 121.024 118.600 0.129 0.000 3.239 285 c HA 0.604 5.174 4.570 -0.000 0.000 0.329 285 c C 1.628 175.859 174.090 0.236 0.000 1.252 285 c CA 0.022 56.501 56.329 0.251 0.000 1.323 285 c CB 1.294 44.065 42.510 0.436 0.000 1.663 285 c HN 0.633 nan 8.230 nan 0.000 0.487 286 A N 1.604 124.500 122.820 0.128 0.000 1.898 286 A HA 0.309 4.629 4.320 -0.000 0.000 0.214 286 A C 0.893 178.532 177.584 0.092 0.000 1.183 286 A CA 1.593 53.684 52.037 0.090 0.000 0.622 286 A CB -0.287 18.729 19.000 0.026 0.000 0.824 286 A HN 1.447 nan 8.150 nan 0.000 0.444 287 S N -3.983 111.656 115.700 -0.103 0.000 2.697 287 S HA 0.525 4.995 4.470 -0.000 0.000 0.289 287 S C 0.310 174.313 174.600 -0.996 0.000 1.149 287 S CA -0.326 57.655 58.200 -0.365 0.000 0.850 287 S CB 0.484 63.578 63.200 -0.176 0.000 1.151 287 S HN 0.215 nan 8.310 nan 0.000 0.491 288 Y N 1.172 120.816 120.300 -1.094 0.000 2.220 288 Y HA 0.008 4.558 4.550 -0.000 0.000 0.291 288 Y C 1.612 177.348 175.900 -0.273 0.000 1.129 288 Y CA 1.754 59.367 58.100 -0.811 0.000 1.161 288 Y CB -0.767 37.483 38.460 -0.350 0.000 0.997 288 Y HN 0.779 nan 8.280 nan 0.000 0.522 289 D N 0.082 120.379 120.400 -0.173 0.000 2.104 289 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 289 D C 2.080 178.287 176.300 -0.155 0.000 0.994 289 D CA 1.834 55.737 54.000 -0.162 0.000 0.830 289 D CB -0.230 40.514 40.800 -0.094 0.000 0.959 289 D HN 0.473 nan 8.370 nan 0.000 0.452 290 E N -0.741 119.384 120.200 -0.126 0.000 2.097 290 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 290 E C 1.905 178.469 176.600 -0.060 0.000 1.000 290 E CA 0.703 57.056 56.400 -0.077 0.000 0.804 290 E CB -0.204 29.471 29.700 -0.042 0.000 0.740 290 E HN 0.317 nan 8.360 nan 0.000 0.454 291 F N 1.840 121.657 119.950 -0.222 0.000 2.113 291 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 291 F C 2.327 177.988 175.800 -0.232 0.000 1.103 291 F CA 1.332 59.230 58.000 -0.169 0.000 1.248 291 F CB -0.093 38.832 39.000 -0.125 0.000 0.999 291 F HN -0.095 nan 8.300 nan 0.000 0.475 292 Q N 0.684 120.262 119.800 -0.370 0.000 2.045 292 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 292 Q C 1.914 177.686 176.000 -0.379 0.000 0.991 292 Q CA 2.294 57.823 55.803 -0.456 0.000 0.851 292 Q CB -0.810 27.699 28.738 -0.383 0.000 0.911 292 Q HN 0.603 nan 8.270 nan 0.000 0.418 293 E N 0.567 120.609 120.200 -0.264 0.000 2.533 293 E HA -0.022 4.328 4.350 -0.000 0.000 0.201 293 E C 0.035 176.506 176.600 -0.215 0.000 1.097 293 E CA 0.288 56.569 56.400 -0.199 0.000 0.887 293 E CB 0.017 29.638 29.700 -0.131 0.000 0.855 293 E HN 0.166 nan 8.360 nan 0.000 0.540 294 S N 0.098 115.614 115.700 -0.306 0.000 3.641 294 S HA -0.229 4.241 4.470 -0.000 0.000 0.346 294 S C 0.483 175.021 174.600 -0.104 0.000 1.074 294 S CA 0.765 58.790 58.200 -0.292 0.000 1.026 294 S CB -1.300 61.660 63.200 -0.399 0.000 0.908 294 S HN 0.402 nan 8.310 nan 0.000 0.479 295 K N -0.408 119.955 120.400 -0.062 0.000 2.551 295 K HA 0.336 4.656 4.320 -0.000 0.000 0.204 295 K C 0.709 177.349 176.600 0.068 0.000 1.033 295 K CA 0.361 56.650 56.287 0.004 0.000 1.187 295 K CB 0.221 32.716 32.500 -0.009 0.000 0.900 295 K HN 0.521 nan 8.250 nan 0.000 0.499 296 c N 0.389 119.057 118.600 0.114 0.000 3.543 296 c HA 0.359 4.929 4.570 -0.000 0.000 0.281 296 c C -1.268 173.000 174.090 0.297 0.000 2.362 296 c CA -0.564 55.888 56.329 0.205 0.000 1.649 296 c CB -0.667 41.986 42.510 0.238 0.000 3.429 296 c HN 0.419 nan 8.230 nan 0.000 0.407 297 F N 2.561 122.546 119.950 0.059 0.000 2.628 297 F HA 0.701 5.228 4.527 -0.000 0.000 0.309 297 F C -2.469 173.372 175.800 0.069 0.000 1.108 297 F CA -1.086 56.940 58.000 0.043 0.000 0.971 297 F CB 1.409 40.333 39.000 -0.126 0.000 1.279 297 F HN 0.073 nan 8.300 nan 0.000 0.441 298 P HA 0.336 nan 4.420 nan 0.000 0.302 298 P C -0.392 176.838 177.300 -0.117 0.000 1.307 298 P CA -0.294 62.361 63.100 -0.742 0.000 0.754 298 P CB 0.669 31.984 31.700 -0.642 0.000 1.298 299 c N 0.904 119.475 118.600 -0.049 0.000 2.796 299 c HA 0.101 4.671 4.570 -0.000 0.000 0.394 299 c C -1.538 172.564 174.090 0.020 0.000 1.276 299 c CA -0.365 55.953 56.329 -0.018 0.000 2.038 299 c CB -1.449 40.980 42.510 -0.135 0.000 2.709 299 c HN 0.546 nan 8.230 nan 0.000 0.709 300 P HA 0.138 nan 4.420 nan 0.000 0.269 300 P C 0.111 177.441 177.300 0.051 0.000 1.215 300 P CA 0.262 63.410 63.100 0.080 0.000 0.780 300 P CB 0.444 32.227 31.700 0.139 0.000 0.898 301 A N 2.193 125.038 122.820 0.041 0.000 1.978 301 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 301 A C 1.632 179.233 177.584 0.029 0.000 1.170 301 A CA 1.410 53.462 52.037 0.025 0.000 0.636 301 A CB -0.939 18.073 19.000 0.019 0.000 0.810 301 A HN 0.687 nan 8.150 nan 0.000 0.448 302 E N -0.268 119.960 120.200 0.046 0.000 2.320 302 E HA 0.394 4.744 4.350 -0.000 0.000 0.234 302 E C 0.277 176.929 176.600 0.086 0.000 1.290 302 E CA 0.107 56.534 56.400 0.045 0.000 1.545 302 E CB -0.781 28.934 29.700 0.025 0.000 1.379 302 E HN 0.691 nan 8.360 nan 0.000 0.437 303 G N 0.429 109.274 108.800 0.075 0.000 2.778 303 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.686 303 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.686 303 G C 0.041 175.010 174.900 0.116 0.000 1.309 303 G CA -0.580 44.569 45.100 0.081 0.000 0.904 303 G HN 0.365 nan 8.290 nan 0.000 0.593 304 c N 4.213 122.792 118.600 -0.034 0.000 2.595 304 c HA 0.605 5.174 4.570 -0.000 0.000 0.384 304 c C -0.818 173.108 174.090 -0.274 0.000 1.289 304 c CA -0.408 55.812 56.329 -0.182 0.000 2.372 304 c CB 0.670 42.960 42.510 -0.366 0.000 2.593 304 c HN 0.796 nan 8.230 nan 0.000 0.639 305 P HA 0.191 nan 4.420 nan 0.000 0.275 305 P C -1.295 175.833 177.300 -0.287 0.000 1.227 305 P CA -0.090 62.595 63.100 -0.692 0.000 0.781 305 P CB 0.417 31.346 31.700 -1.284 0.000 0.906 306 K N 3.245 123.562 120.400 -0.139 0.000 2.250 306 K HA 0.265 4.585 4.320 -0.000 0.000 0.285 306 K C 0.755 177.240 176.600 -0.191 0.000 1.097 306 K CA -0.380 55.850 56.287 -0.096 0.000 0.913 306 K CB 0.202 32.714 32.500 0.020 0.000 1.179 306 K HN 0.520 nan 8.250 nan 0.000 0.462 307 M N 2.195 121.550 119.600 -0.408 0.000 2.247 307 M HA -0.012 4.468 4.480 -0.000 0.000 0.318 307 M C 0.792 176.782 176.300 -0.517 0.000 1.054 307 M CA 1.723 56.441 55.300 -0.971 0.000 1.117 307 M CB 0.184 32.182 32.600 -1.003 0.000 1.515 307 M HN 0.928 nan 8.290 nan 0.000 0.442 308 G N 1.802 110.282 108.800 -0.533 0.000 2.499 308 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.232 308 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.232 308 G C 0.094 174.802 174.900 -0.320 0.000 1.251 308 G CA 0.514 45.345 45.100 -0.449 0.000 0.917 308 G HN 0.971 nan 8.290 nan 0.000 0.580 309 H N -0.163 118.485 119.070 -0.703 0.000 2.387 309 H HA 0.003 4.559 4.556 -0.000 0.000 0.299 309 H C 2.041 177.101 175.328 -0.446 0.000 1.099 309 H CA 2.727 58.427 56.048 -0.580 0.000 1.315 309 H CB -0.183 29.095 29.762 -0.807 0.000 1.380 309 H HN 0.464 nan 8.280 nan 0.000 0.513 310 Y N -1.074 119.205 120.300 -0.035 0.000 2.571 310 Y HA 0.366 4.916 4.550 -0.000 0.000 0.275 310 Y C 2.035 177.930 175.900 -0.008 0.000 1.179 310 Y CA 0.211 58.292 58.100 -0.030 0.000 1.242 310 Y CB -0.042 38.423 38.460 0.009 0.000 1.126 310 Y HN 0.264 nan 8.280 nan 0.000 0.524 311 A N 0.677 123.550 122.820 0.088 0.000 1.986 311 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 311 A C 1.789 179.493 177.584 0.200 0.000 1.171 311 A CA 2.201 54.349 52.037 0.186 0.000 0.640 311 A CB -0.578 18.590 19.000 0.281 0.000 0.811 311 A HN 0.563 nan 8.150 nan 0.000 0.451 312 D N -0.479 119.993 120.400 0.119 0.000 2.378 312 D HA -0.107 4.533 4.640 -0.000 0.000 0.227 312 D C 1.345 177.572 176.300 -0.120 0.000 1.012 312 D CA 0.830 54.774 54.000 -0.092 0.000 0.905 312 D CB -0.524 40.253 40.800 -0.039 0.000 0.895 312 D HN 0.668 nan 8.370 nan 0.000 0.532 313 Q N -0.898 118.906 119.800 0.007 0.000 2.282 313 Q HA 0.105 4.445 4.340 -0.000 0.000 0.206 313 Q C -0.158 175.879 176.000 0.062 0.000 0.878 313 Q CA -0.529 55.291 55.803 0.028 0.000 0.944 313 Q CB 0.291 29.081 28.738 0.087 0.000 1.100 313 Q HN 0.217 nan 8.270 nan 0.000 0.509 314 F N 3.186 123.060 119.950 -0.125 0.000 2.543 314 F HA 0.088 4.615 4.527 -0.000 0.000 0.375 314 F C 0.139 175.864 175.800 -0.124 0.000 1.075 314 F CA -0.657 57.279 58.000 -0.108 0.000 1.225 314 F CB 0.448 39.387 39.000 -0.101 0.000 1.099 314 F HN -0.256 nan 8.300 nan 0.000 0.561 315 K N 4.799 124.922 120.400 -0.462 0.000 2.402 315 K HA 0.363 4.683 4.320 -0.000 0.000 0.285 315 K C 0.891 177.010 176.600 -0.801 0.000 1.054 315 K CA 0.672 56.660 56.287 -0.498 0.000 1.001 315 K CB 0.034 32.365 32.500 -0.281 0.000 0.946 315 K HN 0.991 nan 8.250 nan 0.000 0.473 316 G N 3.030 111.529 108.800 -0.502 0.000 2.160 316 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.251 316 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.251 316 G C 0.843 175.509 174.900 -0.390 0.000 1.008 316 G CA 0.770 45.633 45.100 -0.394 0.000 0.724 316 G HN 0.794 nan 8.290 nan 0.000 0.514 317 K N -0.663 119.480 120.400 -0.430 0.000 2.211 317 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 317 K C 1.890 178.479 176.600 -0.018 0.000 1.047 317 K CA 2.019 58.244 56.287 -0.104 0.000 0.935 317 K CB -0.440 31.898 32.500 -0.269 0.000 0.728 317 K HN 0.574 nan 8.250 nan 0.000 0.452 318 T N -1.089 113.366 114.554 -0.164 0.000 3.069 318 T HA 0.044 4.394 4.350 -0.000 0.000 0.252 318 T C 1.766 176.453 174.700 -0.023 0.000 1.053 318 T CA 0.214 62.203 62.100 -0.186 0.000 0.964 318 T CB 0.459 69.161 68.868 -0.278 0.000 1.005 318 T HN 0.347 nan 8.240 nan 0.000 0.532 319 S N 1.094 116.788 115.700 -0.011 0.000 2.447 319 S HA 0.436 4.906 4.470 -0.000 0.000 0.233 319 S C 0.809 175.453 174.600 0.073 0.000 1.006 319 S CA 0.110 58.316 58.200 0.010 0.000 0.957 319 S CB -0.244 62.936 63.200 -0.032 0.000 0.773 319 S HN 0.841 nan 8.310 nan 0.000 0.507 320 A N 0.440 123.344 122.820 0.141 0.000 2.609 320 A HA 0.681 5.001 4.320 -0.000 0.000 0.291 320 A C -0.417 177.299 177.584 0.220 0.000 1.096 320 A CA -0.414 51.712 52.037 0.148 0.000 0.684 320 A CB 1.122 20.185 19.000 0.105 0.000 1.282 320 A HN 0.972 nan 8.150 nan 0.000 0.412 321 V N -1.200 118.799 119.914 0.141 0.000 2.973 321 V HA 0.711 4.831 4.120 -0.000 0.000 0.314 321 V C 0.337 176.471 176.094 0.068 0.000 1.066 321 V CA 0.205 62.552 62.300 0.078 0.000 1.021 321 V CB 0.669 32.481 31.823 -0.019 0.000 1.076 321 V HN 1.131 nan 8.190 nan 0.000 0.462 322 E N -0.383 119.846 120.200 0.048 0.000 2.586 322 E HA -0.237 4.113 4.350 -0.000 0.000 0.259 322 E C -0.159 176.469 176.600 0.048 0.000 1.107 322 E CA 0.786 57.217 56.400 0.051 0.000 0.754 322 E CB -1.230 28.491 29.700 0.034 0.000 1.335 322 E HN 0.918 nan 8.360 nan 0.000 0.411 323 Q N 0.729 120.581 119.800 0.086 0.000 2.255 323 Q HA 0.096 4.436 4.340 -0.000 0.000 0.280 323 Q C 0.006 175.911 176.000 -0.159 0.000 1.068 323 Q CA 0.592 56.389 55.803 -0.010 0.000 0.911 323 Q CB 0.756 29.611 28.738 0.196 0.000 1.157 323 Q HN -0.001 nan 8.270 nan 0.000 0.380 324 T N 3.544 117.889 114.554 -0.348 0.000 2.845 324 T HA 0.536 4.886 4.350 -0.000 0.000 0.288 324 T C -0.794 173.488 174.700 -0.697 0.000 0.980 324 T CA -0.155 61.760 62.100 -0.308 0.000 1.071 324 T CB 0.272 69.069 68.868 -0.119 0.000 0.941 324 T HN 0.256 nan 8.240 nan 0.000 0.487 325 F N 2.075 121.858 119.950 -0.279 0.000 2.578 325 F HA 0.653 5.180 4.527 -0.000 0.000 0.311 325 F C -0.657 174.944 175.800 -0.331 0.000 1.094 325 F CA -1.117 56.755 58.000 -0.214 0.000 0.923 325 F CB 1.539 40.312 39.000 -0.377 0.000 1.230 325 F HN 0.450 nan 8.300 nan 0.000 0.450 326 F N 2.998 123.056 119.950 0.181 0.000 2.579 326 F HA 0.875 5.402 4.527 -0.000 0.000 0.324 326 F C -0.385 175.213 175.800 -0.338 0.000 1.058 326 F CA -0.972 56.960 58.000 -0.113 0.000 0.944 326 F CB 2.202 41.012 39.000 -0.317 0.000 1.245 326 F HN 0.394 nan 8.300 nan 0.000 0.477 327 L N -0.326 120.758 121.223 -0.231 0.000 2.838 327 L HA 0.707 5.047 4.340 -0.000 0.000 0.266 327 L C -1.952 174.992 176.870 0.122 0.000 1.040 327 L CA -1.063 53.767 54.840 -0.018 0.000 0.906 327 L CB 2.221 44.394 42.059 0.190 0.000 1.501 327 L HN 0.380 nan 8.230 nan 0.000 0.407 328 N N 0.257 119.138 118.700 0.302 0.000 2.272 328 N HA 0.752 5.492 4.740 -0.000 0.000 0.305 328 N C -1.037 174.564 175.510 0.151 0.000 1.103 328 N CA -0.094 53.120 53.050 0.274 0.000 0.791 328 N CB 2.360 41.063 38.487 0.360 0.000 1.356 328 N HN 0.907 nan 8.380 nan 0.000 0.486 329 T N -2.622 112.010 114.554 0.129 0.000 2.942 329 T HA 0.735 5.085 4.350 -0.000 0.000 0.289 329 T C 0.615 175.454 174.700 0.231 0.000 1.044 329 T CA -0.944 61.226 62.100 0.118 0.000 1.023 329 T CB 1.375 70.248 68.868 0.007 0.000 1.123 329 T HN 0.337 nan 8.240 nan 0.000 0.512 330 G N -0.104 108.870 108.800 0.290 0.000 2.634 330 G HA2 0.351 4.311 3.960 -0.000 0.000 0.255 330 G HA3 0.351 4.311 3.960 -0.000 0.000 0.255 330 G C 0.708 175.873 174.900 0.441 0.000 1.205 330 G CA -0.281 45.011 45.100 0.319 0.000 0.884 330 G HN 0.969 nan 8.290 nan 0.000 0.549 331 E N -1.427 118.973 120.200 0.333 0.000 2.447 331 E HA 0.118 4.468 4.350 -0.000 0.000 0.195 331 E C 0.569 177.377 176.600 0.347 0.000 1.028 331 E CA 0.560 57.167 56.400 0.346 0.000 0.876 331 E CB 0.135 29.963 29.700 0.214 0.000 0.885 331 E HN 0.375 nan 8.360 nan 0.000 0.500 332 S N -1.709 114.043 115.700 0.086 0.000 2.615 332 S HA 0.608 5.078 4.470 -0.000 0.000 0.269 332 S C 0.668 174.872 174.600 -0.661 0.000 1.161 332 S CA -0.552 57.474 58.200 -0.289 0.000 0.817 332 S CB 1.494 64.642 63.200 -0.087 0.000 1.131 332 S HN 0.393 nan 8.310 nan 0.000 0.467 333 G N 1.558 109.941 108.800 -0.694 0.000 2.601 333 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.306 333 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.306 333 G C 0.674 175.225 174.900 -0.583 0.000 1.172 333 G CA 0.732 45.548 45.100 -0.473 0.000 0.966 333 G HN 0.797 nan 8.290 nan 0.000 0.542 334 Q N 0.055 119.701 119.800 -0.257 0.000 2.331 334 Q HA 0.283 4.623 4.340 -0.000 0.000 0.203 334 Q C 1.588 177.740 176.000 0.254 0.000 0.944 334 Q CA 1.407 57.222 55.803 0.020 0.000 0.892 334 Q CB 0.101 28.903 28.738 0.106 0.000 0.983 334 Q HN 1.017 nan 8.270 nan 0.000 0.482 335 F N 0.183 120.272 119.950 0.231 0.000 2.794 335 F HA -0.265 4.262 4.527 -0.000 0.000 0.335 335 F C 0.696 176.573 175.800 0.128 0.000 0.653 335 F CA 0.684 58.861 58.000 0.295 0.000 1.266 335 F CB -2.379 36.943 39.000 0.537 0.000 1.666 335 F HN 0.003 nan 8.300 nan 0.000 0.314 336 T N -1.637 112.959 114.554 0.071 0.000 2.898 336 T HA 0.544 4.894 4.350 -0.000 0.000 0.301 336 T C 0.177 174.786 174.700 -0.153 0.000 1.049 336 T CA 0.255 62.123 62.100 -0.388 0.000 1.095 336 T CB 2.138 70.892 68.868 -0.190 0.000 0.976 336 T HN 0.572 nan 8.240 nan 0.000 0.539 337 S N 1.469 116.909 115.700 -0.435 0.000 2.565 337 S HA 0.590 5.060 4.470 -0.000 0.000 0.269 337 S C -2.305 172.158 174.600 -0.229 0.000 1.153 337 S CA -0.901 57.271 58.200 -0.046 0.000 0.835 337 S CB 1.387 64.612 63.200 0.040 0.000 1.122 337 S HN 0.820 nan 8.310 nan 0.000 0.462 338 W N 2.847 124.195 121.300 0.079 0.000 2.835 338 W HA 0.326 4.986 4.660 -0.000 0.000 0.326 338 W C -0.338 176.224 176.519 0.072 0.000 1.024 338 W CA -0.697 56.687 57.345 0.066 0.000 1.267 338 W CB 1.799 31.301 29.460 0.071 0.000 1.267 338 W HN 0.726 nan 8.180 nan 0.000 0.412 339 R N 2.069 122.720 120.500 0.252 0.000 2.489 339 R HA 0.224 4.564 4.340 -0.000 0.000 0.287 339 R C -1.263 175.098 176.300 0.102 0.000 1.053 339 R CA 0.729 56.952 56.100 0.204 0.000 1.036 339 R CB 0.383 30.793 30.300 0.183 0.000 0.966 339 R HN 0.265 nan 8.270 nan 0.000 0.432 340 Y N 2.090 122.485 120.300 0.158 0.000 2.425 340 Y HA 0.343 4.893 4.550 -0.000 0.000 0.344 340 Y C 0.044 175.895 175.900 -0.082 0.000 0.969 340 Y CA -0.829 57.368 58.100 0.162 0.000 1.052 340 Y CB 1.846 40.359 38.460 0.088 0.000 1.215 340 Y HN 0.352 nan 8.280 nan 0.000 0.451 341 K N 2.367 122.773 120.400 0.011 0.000 2.201 341 K HA 0.699 5.019 4.320 -0.000 0.000 0.278 341 K C -1.485 175.148 176.600 0.054 0.000 1.027 341 K CA -0.449 55.714 56.287 -0.207 0.000 0.909 341 K CB 0.910 33.188 32.500 -0.370 0.000 1.062 341 K HN 0.492 nan 8.250 nan 0.000 0.465 342 V N 2.170 122.098 119.914 0.023 0.000 2.638 342 V HA 0.285 4.405 4.120 -0.000 0.000 0.306 342 V C -0.864 175.272 176.094 0.071 0.000 1.052 342 V CA -0.809 61.541 62.300 0.083 0.000 0.885 342 V CB 2.086 33.958 31.823 0.082 0.000 0.999 342 V HN 0.741 nan 8.190 nan 0.000 0.424 343 S N 2.949 118.705 115.700 0.094 0.000 2.539 343 S HA 0.346 4.816 4.470 -0.000 0.000 0.235 343 S C -0.592 174.054 174.600 0.078 0.000 1.326 343 S CA -0.288 57.956 58.200 0.073 0.000 1.183 343 S CB 1.416 64.652 63.200 0.060 0.000 1.073 343 S HN 0.638 nan 8.310 nan 0.000 0.480 344 V N 4.371 124.336 119.914 0.085 0.000 2.465 344 V HA 0.739 4.859 4.120 -0.000 0.000 0.279 344 V C 0.139 176.249 176.094 0.027 0.000 1.045 344 V CA 0.039 62.373 62.300 0.057 0.000 0.938 344 V CB 1.340 33.221 31.823 0.095 0.000 0.986 344 V HN 0.797 nan 8.190 nan 0.000 0.467 345 T N 6.410 120.950 114.554 -0.024 0.000 2.786 345 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 345 T C -0.672 173.975 174.700 -0.087 0.000 0.992 345 T CA -0.728 61.347 62.100 -0.041 0.000 0.954 345 T CB 1.086 69.931 68.868 -0.037 0.000 0.934 345 T HN 0.483 nan 8.240 nan 0.000 0.440 346 L N 4.053 125.234 121.223 -0.070 0.000 2.436 346 L HA 0.603 4.943 4.340 -0.000 0.000 0.265 346 L C 0.862 177.671 176.870 -0.101 0.000 1.168 346 L CA 0.455 55.231 54.840 -0.107 0.000 0.815 346 L CB 1.317 43.351 42.059 -0.042 0.000 1.109 346 L HN 1.036 nan 8.230 nan 0.000 0.462 347 S N 0.090 115.719 115.700 -0.119 0.000 2.568 347 S HA 1.014 5.484 4.470 -0.000 0.000 0.293 347 S C -0.368 174.190 174.600 -0.069 0.000 1.089 347 S CA -0.151 58.003 58.200 -0.076 0.000 0.945 347 S CB 2.161 65.325 63.200 -0.059 0.000 1.077 347 S HN 1.083 nan 8.310 nan 0.000 0.485 348 G N 0.512 109.282 108.800 -0.050 0.000 2.316 348 G HA2 0.402 4.362 3.960 -0.000 0.000 0.296 348 G HA3 0.402 4.362 3.960 -0.000 0.000 0.296 348 G C -1.040 173.839 174.900 -0.036 0.000 1.399 348 G CA -0.880 44.188 45.100 -0.053 0.000 0.833 348 G HN 0.590 nan 8.290 nan 0.000 0.565 349 K N -0.409 119.972 120.400 -0.031 0.000 2.402 349 K HA 0.274 4.594 4.320 -0.000 0.000 0.204 349 K C -0.199 176.387 176.600 -0.024 0.000 1.056 349 K CA 0.503 56.778 56.287 -0.020 0.000 1.069 349 K CB 0.920 33.416 32.500 -0.007 0.000 0.888 349 K HN 0.669 nan 8.250 nan 0.000 0.546 350 E N 0.116 120.292 120.200 -0.040 0.000 2.381 350 E HA 0.231 4.581 4.350 -0.000 0.000 0.286 350 E C -1.546 175.016 176.600 -0.063 0.000 0.960 350 E CA -0.967 55.410 56.400 -0.039 0.000 0.793 350 E CB 0.904 30.589 29.700 -0.024 0.000 1.225 350 E HN -0.180 nan 8.360 nan 0.000 0.420 351 K N 1.313 121.685 120.400 -0.046 0.000 2.326 351 K HA 0.479 4.799 4.320 -0.000 0.000 0.275 351 K C -0.110 176.456 176.600 -0.056 0.000 1.018 351 K CA -0.323 55.936 56.287 -0.048 0.000 0.962 351 K CB 1.156 33.646 32.500 -0.016 0.000 0.953 351 K HN 0.501 nan 8.250 nan 0.000 0.475 352 V N -0.534 119.330 119.914 -0.083 0.000 3.159 352 V HA 0.467 4.587 4.120 -0.000 0.000 0.308 352 V C -1.309 174.769 176.094 -0.027 0.000 1.190 352 V CA -1.109 61.144 62.300 -0.080 0.000 1.037 352 V CB 2.328 34.030 31.823 -0.203 0.000 1.060 352 V HN 0.674 nan 8.190 nan 0.000 0.437 353 N N 1.228 119.944 118.700 0.027 0.000 2.408 353 N HA 0.843 5.583 4.740 -0.000 0.000 0.280 353 N C -0.039 175.541 175.510 0.117 0.000 1.002 353 N CA 0.685 53.777 53.050 0.070 0.000 0.907 353 N CB 1.863 40.391 38.487 0.069 0.000 1.161 353 N HN 1.408 nan 8.380 nan 0.000 0.488 354 G N 1.039 109.919 108.800 0.134 0.000 2.325 354 G HA2 0.291 4.251 3.960 -0.000 0.000 0.295 354 G HA3 0.291 4.251 3.960 -0.000 0.000 0.295 354 G C -2.062 172.960 174.900 0.203 0.000 1.274 354 G CA -0.628 44.566 45.100 0.156 0.000 0.857 354 G HN 0.405 nan 8.290 nan 0.000 0.499 355 Y N -1.148 119.217 120.300 0.108 0.000 2.630 355 Y HA 0.892 5.442 4.550 -0.000 0.000 0.337 355 Y C -0.318 175.652 175.900 0.116 0.000 1.051 355 Y CA -2.075 56.053 58.100 0.047 0.000 1.121 355 Y CB 1.243 39.684 38.460 -0.032 0.000 1.299 355 Y HN 0.418 nan 8.280 nan 0.000 0.498 356 I N 1.922 122.651 120.570 0.266 0.000 2.569 356 I HA 0.564 4.734 4.170 -0.000 0.000 0.296 356 I C -0.299 175.911 176.117 0.154 0.000 1.028 356 I CA -1.209 60.212 61.300 0.202 0.000 1.082 356 I CB 1.907 40.094 38.000 0.312 0.000 1.264 356 I HN 0.790 nan 8.210 nan 0.000 0.429 357 R N 4.830 125.346 120.500 0.028 0.000 2.855 357 R HA 0.798 5.138 4.340 -0.000 0.000 0.266 357 R C -1.348 175.001 176.300 0.083 0.000 1.034 357 R CA -0.870 55.264 56.100 0.056 0.000 0.944 357 R CB 3.197 33.492 30.300 -0.007 0.000 1.219 357 R HN 0.451 nan 8.270 nan 0.000 0.474 358 I N 0.733 121.374 120.570 0.119 0.000 2.644 358 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 358 I C -1.037 175.142 176.117 0.103 0.000 1.180 358 I CA -0.730 60.652 61.300 0.138 0.000 1.040 358 I CB 2.276 40.374 38.000 0.163 0.000 1.255 358 I HN 0.687 nan 8.210 nan 0.000 0.422 359 A N 7.020 129.884 122.820 0.073 0.000 2.340 359 A HA 0.865 5.185 4.320 -0.000 0.000 0.331 359 A C -0.990 176.592 177.584 -0.004 0.000 1.140 359 A CA -0.527 51.525 52.037 0.026 0.000 0.801 359 A CB 1.190 20.202 19.000 0.020 0.000 1.234 359 A HN 0.650 nan 8.150 nan 0.000 0.469 360 L N 1.254 122.407 121.223 -0.117 0.000 2.322 360 L HA 0.470 4.810 4.340 -0.000 0.000 0.279 360 L C -1.324 175.384 176.870 -0.270 0.000 1.036 360 L CA -0.403 54.316 54.840 -0.202 0.000 0.807 360 L CB 1.175 43.030 42.059 -0.341 0.000 1.226 360 L HN 0.744 nan 8.230 nan 0.000 0.433 361 Y N 0.903 121.079 120.300 -0.207 0.000 2.329 361 Y HA 0.510 5.060 4.550 -0.000 0.000 0.328 361 Y C 0.593 176.417 175.900 -0.128 0.000 0.992 361 Y CA -0.496 57.525 58.100 -0.132 0.000 1.151 361 Y CB 2.146 40.529 38.460 -0.128 0.000 1.150 361 Y HN 0.616 nan 8.280 nan 0.000 0.450 362 G N 0.139 108.948 108.800 0.016 0.000 2.613 362 G HA2 0.344 4.304 3.960 -0.000 0.000 0.303 362 G HA3 0.344 4.304 3.960 -0.000 0.000 0.303 362 G C 0.333 175.281 174.900 0.080 0.000 1.312 362 G CA -0.603 44.506 45.100 0.015 0.000 1.036 362 G HN 0.569 nan 8.290 nan 0.000 0.513 363 S N -0.289 115.447 115.700 0.060 0.000 2.562 363 S HA 0.008 4.478 4.470 -0.000 0.000 0.221 363 S C 1.381 176.019 174.600 0.063 0.000 0.975 363 S CA -0.171 58.069 58.200 0.067 0.000 0.918 363 S CB -0.227 63.005 63.200 0.054 0.000 0.772 363 S HN 0.446 nan 8.310 nan 0.000 0.531 364 N N 2.254 120.990 118.700 0.060 0.000 2.203 364 N HA 0.031 4.771 4.740 -0.000 0.000 0.234 364 N C 0.766 176.338 175.510 0.105 0.000 1.221 364 N CA 0.555 53.659 53.050 0.090 0.000 0.880 364 N CB -0.239 38.314 38.487 0.110 0.000 0.912 364 N HN 0.474 nan 8.380 nan 0.000 0.382 365 E N 0.277 120.580 120.200 0.172 0.000 3.188 365 E HA 0.136 4.486 4.350 -0.000 0.000 0.262 365 E C -0.390 176.299 176.600 0.148 0.000 1.341 365 E CA -0.537 55.911 56.400 0.080 0.000 1.140 365 E CB 0.432 30.032 29.700 -0.166 0.000 1.306 365 E HN 0.625 nan 8.360 nan 0.000 0.694 366 N N -0.823 117.857 118.700 -0.033 0.000 2.469 366 N HA 0.178 4.918 4.740 -0.000 0.000 0.286 366 N C -1.077 174.399 175.510 -0.058 0.000 1.275 366 N CA -0.596 52.278 53.050 -0.294 0.000 0.790 366 N CB 1.558 39.348 38.487 -1.161 0.000 1.446 366 N HN 0.352 nan 8.380 nan 0.000 0.501 367 S N -0.667 114.972 115.700 -0.102 0.000 2.646 367 S HA 0.287 4.757 4.470 -0.000 0.000 0.276 367 S C 0.398 174.934 174.600 -0.107 0.000 1.222 367 S CA -0.819 57.445 58.200 0.107 0.000 1.014 367 S CB 0.934 64.233 63.200 0.165 0.000 0.991 367 S HN 0.595 nan 8.310 nan 0.000 0.533 368 K N 1.396 121.716 120.400 -0.133 0.000 2.286 368 K HA 0.069 4.389 4.320 -0.000 0.000 0.256 368 K C -0.251 176.068 176.600 -0.469 0.000 0.999 368 K CA -0.077 56.022 56.287 -0.314 0.000 0.908 368 K CB -0.104 32.179 32.500 -0.361 0.000 0.981 368 K HN 0.764 nan 8.250 nan 0.000 0.500 369 Q N 0.842 120.413 119.800 -0.381 0.000 2.304 369 Q HA 0.174 4.514 4.340 -0.000 0.000 0.260 369 Q C -1.054 174.688 176.000 -0.429 0.000 0.965 369 Q CA 0.040 55.676 55.803 -0.279 0.000 0.898 369 Q CB 0.394 29.044 28.738 -0.147 0.000 1.196 369 Q HN 0.381 nan 8.270 nan 0.000 0.402 370 Y N 0.559 120.867 120.300 0.013 0.000 2.409 370 Y HA 0.178 4.728 4.550 -0.000 0.000 0.339 370 Y C 0.517 176.445 175.900 0.047 0.000 1.033 370 Y CA -0.848 57.271 58.100 0.031 0.000 1.094 370 Y CB 1.262 39.742 38.460 0.033 0.000 1.210 370 Y HN 0.538 nan 8.280 nan 0.000 0.456 371 E N 2.701 123.018 120.200 0.195 0.000 2.404 371 E HA 0.155 4.505 4.350 -0.000 0.000 0.261 371 E C -0.083 176.613 176.600 0.161 0.000 1.074 371 E CA 0.487 56.973 56.400 0.144 0.000 0.917 371 E CB 0.636 30.379 29.700 0.071 0.000 0.965 371 E HN 0.814 nan 8.360 nan 0.000 0.433 372 I N 1.991 122.662 120.570 0.168 0.000 4.866 372 I HA 0.165 4.335 4.170 -0.000 0.000 0.325 372 I C -0.192 176.078 176.117 0.254 0.000 1.240 372 I CA -0.114 61.299 61.300 0.188 0.000 1.355 372 I CB 0.790 38.913 38.000 0.204 0.000 1.395 372 I HN 0.325 nan 8.210 nan 0.000 0.479 373 F N 1.646 121.603 119.950 0.011 0.000 2.678 373 F HA 0.517 5.044 4.527 -0.000 0.000 0.308 373 F C -1.558 174.239 175.800 -0.006 0.000 1.118 373 F CA -0.832 57.131 58.000 -0.063 0.000 0.959 373 F CB 1.694 40.474 39.000 -0.366 0.000 1.305 373 F HN -0.330 nan 8.300 nan 0.000 0.443 374 K N 2.901 122.663 120.400 -1.063 0.000 2.378 374 K HA 0.733 5.053 4.320 -0.000 0.000 0.252 374 K C -0.042 175.968 176.600 -0.984 0.000 0.931 374 K CA -0.187 55.685 56.287 -0.691 0.000 0.794 374 K CB 2.022 34.264 32.500 -0.431 0.000 1.181 374 K HN 1.037 nan 8.250 nan 0.000 0.425 375 G N 0.942 109.532 108.800 -0.349 0.000 2.846 375 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.225 375 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.225 375 G C -0.844 174.117 174.900 0.101 0.000 1.285 375 G CA -0.294 44.729 45.100 -0.129 0.000 1.055 375 G HN 0.645 nan 8.290 nan 0.000 0.579 376 S N 1.708 117.571 115.700 0.272 0.000 2.686 376 S HA 0.541 5.011 4.470 -0.000 0.000 0.324 376 S C 0.351 175.168 174.600 0.361 0.000 1.172 376 S CA -0.155 58.216 58.200 0.285 0.000 1.127 376 S CB -0.186 63.158 63.200 0.240 0.000 1.338 376 S HN 0.757 nan 8.310 nan 0.000 0.547 377 L N 3.351 124.698 121.223 0.207 0.000 2.275 377 L HA 0.530 4.870 4.340 -0.000 0.000 0.288 377 L C 0.243 177.137 176.870 0.040 0.000 1.046 377 L CA -0.409 54.510 54.840 0.131 0.000 0.805 377 L CB 0.633 42.703 42.059 0.018 0.000 1.193 377 L HN 0.507 nan 8.230 nan 0.000 0.426 378 K N 3.781 124.209 120.400 0.047 0.000 2.468 378 K HA 0.485 4.805 4.320 -0.000 0.000 0.252 378 K C -2.672 173.915 176.600 -0.022 0.000 0.932 378 K CA -1.947 54.340 56.287 -0.000 0.000 0.794 378 K CB 2.322 34.831 32.500 0.014 0.000 1.241 378 K HN 0.193 nan 8.250 nan 0.000 0.428 379 P HA -0.018 nan 4.420 nan 0.000 0.266 379 P C -0.604 176.672 177.300 -0.041 0.000 1.195 379 P CA 0.571 63.641 63.100 -0.049 0.000 0.768 379 P CB 0.425 32.096 31.700 -0.049 0.000 0.838 380 D N -1.256 119.117 120.400 -0.046 0.000 2.136 380 D HA -0.167 4.473 4.640 -0.000 0.000 0.181 380 D C 0.409 176.671 176.300 -0.064 0.000 1.459 380 D CA 1.783 55.754 54.000 -0.049 0.000 1.512 380 D CB -1.897 38.877 40.800 -0.044 0.000 1.370 380 D HN 0.559 nan 8.370 nan 0.000 0.544 381 A N 0.850 123.631 122.820 -0.065 0.000 2.511 381 A HA 0.476 4.796 4.320 -0.000 0.000 0.242 381 A C 0.626 178.130 177.584 -0.133 0.000 1.069 381 A CA 0.763 52.725 52.037 -0.124 0.000 0.763 381 A CB 0.517 19.457 19.000 -0.099 0.000 1.001 381 A HN 0.125 nan 8.150 nan 0.000 0.498 382 S N 0.978 116.525 115.700 -0.256 0.000 2.621 382 S HA 0.681 5.151 4.470 -0.000 0.000 0.302 382 S C -0.632 173.678 174.600 -0.483 0.000 1.093 382 S CA -0.567 57.512 58.200 -0.201 0.000 1.017 382 S CB 0.821 63.940 63.200 -0.136 0.000 1.077 382 S HN 0.752 nan 8.310 nan 0.000 0.517 383 H N 0.532 119.529 119.070 -0.122 0.000 2.806 383 H HA 0.468 5.024 4.556 -0.000 0.000 0.367 383 H C -0.949 174.351 175.328 -0.046 0.000 1.136 383 H CA -0.560 55.407 56.048 -0.135 0.000 1.178 383 H CB 2.054 31.716 29.762 -0.167 0.000 1.718 383 H HN 0.470 nan 8.280 nan 0.000 0.540 384 T N 1.317 115.901 114.554 0.049 0.000 2.907 384 T HA 0.448 4.798 4.350 -0.000 0.000 0.292 384 T C -0.693 174.019 174.700 0.020 0.000 1.043 384 T CA -0.553 61.559 62.100 0.021 0.000 1.003 384 T CB 1.696 70.547 68.868 -0.028 0.000 1.084 384 T HN 0.717 nan 8.240 nan 0.000 0.483 385 C N 2.307 121.600 119.300 -0.011 0.000 3.135 385 C HA 0.679 5.139 4.460 -0.000 0.000 0.428 385 C C -0.365 174.568 174.990 -0.094 0.000 0.972 385 C CA -0.621 58.382 59.018 -0.026 0.000 1.218 385 C CB -0.703 27.067 27.740 0.051 0.000 1.595 385 C HN 1.210 nan 8.230 nan 0.000 0.576 386 A N 5.745 128.458 122.820 -0.179 0.000 2.401 386 A HA 0.755 5.075 4.320 -0.000 0.000 0.259 386 A C -0.201 177.296 177.584 -0.145 0.000 1.103 386 A CA 0.073 51.956 52.037 -0.256 0.000 0.789 386 A CB 0.168 18.927 19.000 -0.401 0.000 1.035 386 A HN 1.611 nan 8.150 nan 0.000 0.491 387 I N -1.713 118.792 120.570 -0.108 0.000 2.994 387 I HA 0.585 4.755 4.170 -0.000 0.000 0.306 387 I C -1.502 174.565 176.117 -0.082 0.000 1.195 387 I CA -0.967 60.263 61.300 -0.116 0.000 1.001 387 I CB 2.638 40.524 38.000 -0.190 0.000 1.244 387 I HN 0.317 nan 8.210 nan 0.000 0.437 388 D N 3.890 124.198 120.400 -0.153 0.000 2.458 388 D HA 0.326 4.966 4.640 -0.000 0.000 0.258 388 D C -0.458 175.800 176.300 -0.071 0.000 1.134 388 D CA -0.104 53.894 54.000 -0.003 0.000 0.915 388 D CB 2.149 43.007 40.800 0.096 0.000 1.028 388 D HN 0.263 nan 8.370 nan 0.000 0.508 389 V N 1.992 121.917 119.914 0.017 0.000 2.637 389 V HA -0.031 4.089 4.120 -0.000 0.000 0.296 389 V C 1.193 177.514 176.094 0.378 0.000 1.046 389 V CA 0.083 62.440 62.300 0.095 0.000 1.066 389 V CB 1.346 33.207 31.823 0.064 0.000 0.968 389 V HN 0.312 nan 8.190 nan 0.000 0.483 390 D N 2.893 123.562 120.400 0.448 0.000 2.349 390 D HA 0.144 4.784 4.640 -0.000 0.000 0.224 390 D C -0.184 176.466 176.300 0.585 0.000 1.029 390 D CA 0.763 55.038 54.000 0.457 0.000 0.879 390 D CB 0.050 41.058 40.800 0.347 0.000 0.906 390 D HN 0.483 nan 8.370 nan 0.000 0.528 391 F N -1.519 118.550 119.950 0.198 0.000 2.693 391 F HA 0.428 4.955 4.527 -0.000 0.000 0.309 391 F C -1.255 174.223 175.800 -0.538 0.000 1.129 391 F CA -1.524 56.422 58.000 -0.090 0.000 0.948 391 F CB 0.673 39.639 39.000 -0.056 0.000 1.315 391 F HN -0.437 nan 8.300 nan 0.000 0.447 392 N N 1.867 119.693 118.700 -1.456 0.000 2.411 392 N HA 0.288 5.028 4.740 -0.000 0.000 0.259 392 N C 0.802 175.656 175.510 -1.092 0.000 1.103 392 N CA -0.056 52.114 53.050 -1.466 0.000 0.954 392 N CB 1.739 39.419 38.487 -1.345 0.000 1.085 392 N HN 0.679 nan 8.380 nan 0.000 0.485 393 V N 1.762 121.107 119.914 -0.948 0.000 3.129 393 V HA 0.244 4.363 4.120 -0.000 0.000 0.259 393 V C 1.584 177.500 176.094 -0.298 0.000 1.116 393 V CA 0.471 62.401 62.300 -0.616 0.000 1.127 393 V CB -1.541 29.977 31.823 -0.508 0.000 0.742 393 V HN 0.780 nan 8.190 nan 0.000 0.474 394 G N 0.862 109.510 108.800 -0.254 0.000 2.564 394 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.273 394 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.273 394 G C 0.085 174.957 174.900 -0.047 0.000 1.242 394 G CA 0.392 45.433 45.100 -0.098 0.000 0.951 394 G HN 0.692 nan 8.290 nan 0.000 0.564 395 K N 0.683 121.094 120.400 0.019 0.000 2.437 395 K HA 0.124 4.444 4.320 -0.000 0.000 0.277 395 K C 0.837 177.348 176.600 -0.147 0.000 1.073 395 K CA -0.035 56.278 56.287 0.045 0.000 1.105 395 K CB -0.374 32.202 32.500 0.126 0.000 0.881 395 K HN 0.352 nan 8.250 nan 0.000 0.475 396 I N 6.190 126.449 120.570 -0.519 0.000 2.578 396 I HA -0.126 4.044 4.170 -0.000 0.000 0.286 396 I C 1.543 177.605 176.117 -0.091 0.000 1.126 396 I CA -0.060 60.990 61.300 -0.417 0.000 1.380 396 I CB 0.753 38.383 38.000 -0.615 0.000 1.408 396 I HN 0.653 nan 8.210 nan 0.000 0.532 397 Q N 5.627 125.443 119.800 0.027 0.000 2.089 397 Q HA 0.119 4.459 4.340 -0.000 0.000 0.195 397 Q C 0.450 176.595 176.000 0.241 0.000 0.963 397 Q CA 1.216 57.103 55.803 0.140 0.000 0.834 397 Q CB 0.301 29.097 28.738 0.097 0.000 0.906 397 Q HN 0.617 nan 8.270 nan 0.000 0.452 398 K N -0.188 120.246 120.400 0.057 0.000 2.372 398 K HA 0.590 4.910 4.320 -0.000 0.000 0.251 398 K C -0.866 175.404 176.600 -0.550 0.000 1.055 398 K CA -0.713 55.472 56.287 -0.170 0.000 0.879 398 K CB 2.711 35.082 32.500 -0.216 0.000 1.384 398 K HN -0.072 nan 8.250 nan 0.000 0.465 399 V N -1.964 117.505 119.914 -0.741 0.000 3.007 399 V HA 0.626 4.746 4.120 -0.000 0.000 0.311 399 V C -1.284 174.664 176.094 -0.243 0.000 1.120 399 V CA -1.022 61.002 62.300 -0.459 0.000 0.980 399 V CB 1.866 33.313 31.823 -0.628 0.000 1.033 399 V HN 0.627 nan 8.190 nan 0.000 0.429 400 K N 2.313 122.699 120.400 -0.024 0.000 2.318 400 K HA 0.705 5.025 4.320 -0.000 0.000 0.249 400 K C -1.711 174.963 176.600 0.123 0.000 0.942 400 K CA -0.423 55.869 56.287 0.007 0.000 0.808 400 K CB 2.901 35.400 32.500 -0.003 0.000 1.189 400 K HN 0.760 nan 8.250 nan 0.000 0.428 401 F N 3.071 123.008 119.950 -0.022 0.000 2.532 401 F HA 0.656 5.183 4.527 -0.000 0.000 0.321 401 F C -1.718 174.109 175.800 0.045 0.000 1.089 401 F CA -0.987 57.029 58.000 0.026 0.000 0.926 401 F CB 1.158 40.180 39.000 0.037 0.000 1.168 401 F HN 0.428 nan 8.300 nan 0.000 0.459 402 L N 7.403 128.148 121.223 -0.796 0.000 2.493 402 L HA 0.482 4.821 4.340 -0.000 0.000 0.265 402 L C -1.828 174.607 176.870 -0.724 0.000 0.954 402 L CA -0.401 54.023 54.840 -0.692 0.000 0.844 402 L CB 1.477 43.335 42.059 -0.335 0.000 1.302 402 L HN 0.871 nan 8.230 nan 0.000 0.405 403 W N 4.555 125.431 121.300 -0.707 0.000 2.706 403 W HA 0.657 5.317 4.660 -0.000 0.000 0.346 403 W C -1.765 174.559 176.519 -0.326 0.000 1.071 403 W CA -0.896 56.195 57.345 -0.423 0.000 1.206 403 W CB 1.287 30.608 29.460 -0.231 0.000 1.413 403 W HN 0.788 nan 8.180 nan 0.000 0.542 404 N N 1.293 119.787 118.700 -0.342 0.000 2.455 404 N HA 0.234 4.974 4.740 -0.000 0.000 0.285 404 N C -1.167 174.077 175.510 -0.443 0.000 1.080 404 N CA -0.883 51.769 53.050 -0.663 0.000 0.932 404 N CB 2.931 41.028 38.487 -0.649 0.000 1.610 404 N HN 0.488 nan 8.380 nan 0.000 0.493 410 L N 1.388 122.613 121.223 0.004 0.000 2.325 410 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 410 L C 0.542 177.426 176.870 0.022 0.000 1.023 410 L CA -0.596 54.255 54.840 0.019 0.000 0.811 410 L CB 1.792 43.855 42.059 0.007 0.000 1.249 410 L HN 0.660 nan 8.230 nan 0.000 0.431 411 S N 0.698 116.419 115.700 0.036 0.000 2.578 411 S HA 0.406 4.876 4.470 -0.000 0.000 0.283 411 S C -0.461 174.172 174.600 0.055 0.000 1.195 411 S CA -0.920 57.302 58.200 0.036 0.000 1.050 411 S CB 1.610 64.831 63.200 0.036 0.000 1.012 411 S HN 0.556 nan 8.310 nan 0.000 0.511 412 E N 2.773 123.004 120.200 0.052 0.000 2.001 412 E HA 0.405 4.755 4.350 -0.000 0.000 0.279 412 E C -2.102 174.558 176.600 0.100 0.000 1.045 412 E CA -1.377 55.065 56.400 0.070 0.000 0.833 412 E CB 0.554 30.279 29.700 0.042 0.000 1.077 412 E HN 0.547 nan 8.360 nan 0.000 0.397 413 P HA 0.374 nan 4.420 nan 0.000 0.292 413 P C -1.095 176.364 177.300 0.266 0.000 1.308 413 P CA -0.981 62.217 63.100 0.163 0.000 0.933 413 P CB 1.749 33.526 31.700 0.130 0.000 1.217 414 K N 0.892 121.398 120.400 0.177 0.000 2.156 414 K HA 0.742 5.062 4.320 -0.000 0.000 0.254 414 K C -0.758 175.896 176.600 0.091 0.000 0.950 414 K CA -0.897 55.526 56.287 0.226 0.000 0.849 414 K CB 1.597 34.190 32.500 0.155 0.000 1.100 414 K HN 0.384 nan 8.250 nan 0.000 0.434 415 L N 1.064 122.373 121.223 0.144 0.000 2.526 415 L HA 0.526 4.866 4.340 -0.000 0.000 0.263 415 L C -0.847 176.129 176.870 0.177 0.000 0.943 415 L CA -0.364 54.386 54.840 -0.152 0.000 0.859 415 L CB 1.958 43.392 42.059 -1.041 0.000 1.313 415 L HN 0.875 nan 8.230 nan 0.000 0.406 416 G N 2.265 111.121 108.800 0.093 0.000 3.175 416 G HA2 0.821 4.781 3.960 -0.000 0.000 0.255 416 G HA3 0.821 4.781 3.960 -0.000 0.000 0.255 416 G C -1.531 173.151 174.900 -0.364 0.000 1.352 416 G CA -0.270 44.883 45.100 0.090 0.000 1.037 416 G HN 0.756 nan 8.290 nan 0.000 0.556 417 A N -0.348 122.123 122.820 -0.582 0.000 2.340 417 A HA 0.584 4.904 4.320 -0.000 0.000 0.297 417 A C 0.946 178.368 177.584 -0.269 0.000 1.195 417 A CA 0.306 51.936 52.037 -0.678 0.000 0.769 417 A CB 1.273 19.608 19.000 -1.109 0.000 1.163 417 A HN 1.230 nan 8.150 nan 0.000 0.472 418 S N 1.676 117.277 115.700 -0.166 0.000 2.387 418 S HA 0.004 4.474 4.470 -0.000 0.000 0.226 418 S C 0.748 175.329 174.600 -0.032 0.000 1.026 418 S CA 1.025 59.184 58.200 -0.069 0.000 0.972 418 S CB -0.022 63.148 63.200 -0.049 0.000 0.814 418 S HN 0.819 nan 8.310 nan 0.000 0.477 419 Q N -0.467 119.308 119.800 -0.042 0.000 2.353 419 Q HA 0.617 4.957 4.340 -0.000 0.000 0.275 419 Q C -2.201 173.818 176.000 0.030 0.000 1.029 419 Q CA -0.566 55.248 55.803 0.018 0.000 0.848 419 Q CB 1.877 30.629 28.738 0.023 0.000 1.390 419 Q HN 0.402 nan 8.270 nan 0.000 0.401 420 I N 1.923 122.564 120.570 0.118 0.000 2.582 420 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 420 I C -0.880 175.394 176.117 0.262 0.000 1.066 420 I CA -0.655 60.739 61.300 0.158 0.000 1.053 420 I CB 2.624 40.708 38.000 0.140 0.000 1.241 420 I HN 0.521 nan 8.210 nan 0.000 0.421 421 T N 4.936 119.615 114.554 0.209 0.000 2.815 421 T HA 0.469 4.819 4.350 -0.000 0.000 0.289 421 T C -0.395 174.457 174.700 0.254 0.000 1.000 421 T CA -0.525 61.714 62.100 0.231 0.000 0.958 421 T CB 1.686 70.638 68.868 0.139 0.000 0.944 421 T HN 0.152 nan 8.240 nan 0.000 0.442 422 V N 3.808 123.941 119.914 0.366 0.000 2.398 422 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 422 V C 0.038 176.402 176.094 0.450 0.000 1.026 422 V CA -0.802 61.719 62.300 0.369 0.000 0.868 422 V CB 1.535 33.567 31.823 0.348 0.000 0.982 422 V HN 0.852 nan 8.190 nan 0.000 0.443 423 Q N 2.874 122.917 119.800 0.405 0.000 2.293 423 Q HA 0.482 4.822 4.340 -0.000 0.000 0.261 423 Q C -0.065 176.234 176.000 0.497 0.000 0.960 423 Q CA -0.306 55.743 55.803 0.410 0.000 0.882 423 Q CB 1.675 30.639 28.738 0.377 0.000 1.275 423 Q HN 0.836 nan 8.270 nan 0.000 0.445 424 S N 2.596 118.520 115.700 0.372 0.000 2.531 424 S HA 0.242 4.712 4.470 -0.000 0.000 0.279 424 S C 1.073 175.672 174.600 -0.002 0.000 1.305 424 S CA 0.176 58.448 58.200 0.120 0.000 1.058 424 S CB 0.862 64.156 63.200 0.157 0.000 0.899 424 S HN 0.843 nan 8.310 nan 0.000 0.493 425 G N 3.208 111.964 108.800 -0.072 0.000 2.402 425 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 425 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 425 G C 1.123 175.973 174.900 -0.083 0.000 1.162 425 G CA 0.780 45.713 45.100 -0.279 0.000 0.777 425 G HN 0.862 nan 8.290 nan 0.000 0.539 426 E N 0.925 121.123 120.200 -0.004 0.000 2.130 426 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 426 E C 1.039 177.623 176.600 -0.028 0.000 0.998 426 E CA 1.646 58.052 56.400 0.010 0.000 0.806 426 E CB 0.089 29.851 29.700 0.105 0.000 0.738 426 E HN 0.574 nan 8.360 nan 0.000 0.459 427 D N -3.075 117.307 120.400 -0.029 0.000 2.704 427 D HA 0.096 4.736 4.640 -0.000 0.000 0.291 427 D C 0.837 177.111 176.300 -0.042 0.000 1.610 427 D CA 0.452 54.434 54.000 -0.029 0.000 0.807 427 D CB -0.029 40.771 40.800 0.001 0.000 1.233 427 D HN 0.280 nan 8.370 nan 0.000 0.445 428 G N 0.516 109.271 108.800 -0.075 0.000 2.196 428 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.268 428 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.268 428 G C 0.533 175.419 174.900 -0.023 0.000 0.975 428 G CA 0.683 45.745 45.100 -0.063 0.000 0.648 428 G HN 0.480 nan 8.290 nan 0.000 0.538 429 T N 0.984 115.517 114.554 -0.036 0.000 2.908 429 T HA 0.368 4.718 4.350 -0.000 0.000 0.301 429 T C 0.381 174.981 174.700 -0.167 0.000 1.019 429 T CA 0.635 62.650 62.100 -0.143 0.000 1.152 429 T CB 0.868 69.604 68.868 -0.219 0.000 0.966 429 T HN 0.417 nan 8.240 nan 0.000 0.540 430 E N 1.945 122.011 120.200 -0.223 0.000 2.174 430 E HA 0.385 4.735 4.350 -0.000 0.000 0.282 430 E C -1.080 175.329 176.600 -0.318 0.000 0.992 430 E CA -0.414 55.910 56.400 -0.127 0.000 0.803 430 E CB 0.773 30.446 29.700 -0.044 0.000 1.090 430 E HN 0.540 nan 8.360 nan 0.000 0.396 431 Y N 1.826 122.174 120.300 0.080 0.000 2.446 431 Y HA 0.453 5.003 4.550 -0.000 0.000 0.338 431 Y C 0.360 176.200 175.900 -0.100 0.000 1.055 431 Y CA -0.939 57.139 58.100 -0.036 0.000 1.101 431 Y CB 1.473 40.001 38.460 0.113 0.000 1.221 431 Y HN 0.388 nan 8.280 nan 0.000 0.460 432 N N 1.718 120.275 118.700 -0.238 0.000 2.265 432 N HA 0.579 5.319 4.740 -0.000 0.000 0.300 432 N C -1.698 173.445 175.510 -0.612 0.000 1.148 432 N CA -0.575 52.354 53.050 -0.202 0.000 0.772 432 N CB 2.432 40.868 38.487 -0.086 0.000 1.434 432 N HN 0.433 nan 8.380 nan 0.000 0.481 433 F N -0.321 119.681 119.950 0.087 0.000 2.643 433 F HA 0.561 5.088 4.527 -0.000 0.000 0.314 433 F C -0.416 175.420 175.800 0.060 0.000 1.096 433 F CA -0.679 57.366 58.000 0.074 0.000 0.953 433 F CB 1.792 40.819 39.000 0.046 0.000 1.345 433 F HN 0.254 nan 8.300 nan 0.000 0.468 434 c N 1.112 119.878 118.600 0.276 0.000 2.782 434 c HA 0.790 5.360 4.570 -0.000 0.000 0.328 434 c C -0.771 173.447 174.090 0.213 0.000 1.145 434 c CA -1.026 55.416 56.329 0.187 0.000 1.358 434 c CB 1.230 43.837 42.510 0.162 0.000 1.841 434 c HN 0.787 nan 8.230 nan 0.000 0.477 435 S N 1.994 117.773 115.700 0.132 0.000 2.724 435 S HA 0.052 4.522 4.470 -0.000 0.000 0.189 435 S C -0.676 173.956 174.600 0.054 0.000 0.650 435 S CA -0.346 57.932 58.200 0.129 0.000 0.769 435 S CB -0.410 62.899 63.200 0.182 0.000 1.348 435 S HN 0.756 nan 8.310 nan 0.000 0.498 436 S N 4.129 119.852 115.700 0.038 0.000 4.120 436 S HA 0.299 4.769 4.470 -0.000 0.000 0.215 436 S C -0.729 173.884 174.600 0.022 0.000 1.347 436 S CA -0.199 58.008 58.200 0.011 0.000 0.889 436 S CB -0.320 62.884 63.200 0.006 0.000 1.585 436 S HN 0.615 nan 8.310 nan 0.000 0.447 437 D N 1.690 122.108 120.400 0.030 0.000 2.354 437 D HA 0.100 4.740 4.640 -0.000 0.000 0.230 437 D C -0.006 176.337 176.300 0.072 0.000 1.361 437 D CA -0.441 53.591 54.000 0.054 0.000 0.992 437 D CB 1.025 41.870 40.800 0.076 0.000 1.409 437 D HN 0.419 nan 8.370 nan 0.000 0.573 438 T N -1.585 113.014 114.554 0.075 0.000 2.788 438 T HA 0.655 5.004 4.350 -0.000 0.000 0.287 438 T C 0.573 175.369 174.700 0.160 0.000 1.007 438 T CA -0.512 61.658 62.100 0.117 0.000 1.005 438 T CB 1.634 70.556 68.868 0.090 0.000 1.012 438 T HN 0.301 nan 8.240 nan 0.000 0.530 439 V N -1.881 118.181 119.914 0.247 0.000 3.114 439 V HA 0.642 4.762 4.120 -0.000 0.000 0.308 439 V C -0.306 175.965 176.094 0.294 0.000 1.168 439 V CA -1.314 61.122 62.300 0.227 0.000 1.015 439 V CB 1.530 33.478 31.823 0.208 0.000 1.050 439 V HN 1.055 nan 8.190 nan 0.000 0.433 440 E N 0.756 121.052 120.200 0.160 0.000 2.451 440 E HA 0.139 4.489 4.350 -0.000 0.000 0.256 440 E C -0.024 176.525 176.600 -0.085 0.000 1.294 440 E CA -0.113 56.351 56.400 0.106 0.000 1.005 440 E CB 0.578 30.288 29.700 0.018 0.000 0.990 440 E HN 0.876 nan 8.360 nan 0.000 0.505 441 E N 0.769 120.771 120.200 -0.330 0.000 2.373 441 E HA -0.108 4.242 4.350 -0.000 0.000 0.267 441 E C -0.027 176.209 176.600 -0.606 0.000 1.032 441 E CA 0.166 56.013 56.400 -0.922 0.000 0.889 441 E CB 0.304 29.473 29.700 -0.885 0.000 0.984 441 E HN 0.581 nan 8.360 nan 0.000 0.425 442 N N 1.672 119.957 118.700 -0.692 0.000 2.900 442 N HA -0.203 4.537 4.740 -0.000 0.000 0.240 442 N C -1.036 174.310 175.510 -0.274 0.000 0.953 442 N CA 0.996 53.792 53.050 -0.422 0.000 0.950 442 N CB -0.803 37.485 38.487 -0.332 0.000 1.102 442 N HN 0.230 nan 8.380 nan 0.000 0.593 443 V N 1.836 121.606 119.914 -0.239 0.000 2.572 443 V HA 0.084 4.203 4.120 -0.000 0.000 0.291 443 V C 0.838 176.866 176.094 -0.111 0.000 1.039 443 V CA -0.336 61.886 62.300 -0.129 0.000 1.055 443 V CB 1.031 32.816 31.823 -0.064 0.000 0.969 443 V HN 0.109 nan 8.190 nan 0.000 0.482 444 L N 5.580 126.756 121.223 -0.079 0.000 2.407 444 L HA 0.238 4.578 4.340 -0.000 0.000 0.282 444 L C 0.418 177.281 176.870 -0.011 0.000 1.110 444 L CA 0.841 55.648 54.840 -0.055 0.000 0.863 444 L CB 0.232 42.262 42.059 -0.048 0.000 1.207 444 L HN 0.781 nan 8.230 nan 0.000 0.454 445 Q N 2.537 122.374 119.800 0.061 0.000 2.267 445 Q HA 0.271 4.611 4.340 -0.000 0.000 0.255 445 Q C -0.167 175.848 176.000 0.025 0.000 0.923 445 Q CA -0.293 55.577 55.803 0.112 0.000 0.925 445 Q CB 1.459 30.381 28.738 0.306 0.000 1.195 445 Q HN 0.727 nan 8.270 nan 0.000 0.417 446 S N 3.782 119.423 115.700 -0.097 0.000 2.565 446 S HA 0.702 5.172 4.470 -0.000 0.000 0.290 446 S C -0.854 173.479 174.600 -0.445 0.000 1.150 446 S CA -0.712 57.304 58.200 -0.306 0.000 1.058 446 S CB 1.014 63.965 63.200 -0.415 0.000 1.032 446 S HN 0.467 nan 8.310 nan 0.000 0.510 447 L N 2.358 123.285 121.223 -0.492 0.000 2.370 447 L HA 0.624 4.963 4.340 -0.000 0.000 0.266 447 L C -1.235 175.458 176.870 -0.295 0.000 1.002 447 L CA -0.591 54.047 54.840 -0.338 0.000 0.818 447 L CB 1.560 43.599 42.059 -0.034 0.000 1.325 447 L HN 0.764 nan 8.230 nan 0.000 0.418 448 Y N 0.309 120.749 120.300 0.234 0.000 2.509 448 Y HA 0.665 5.215 4.550 -0.000 0.000 0.341 448 Y C -2.254 173.806 175.900 0.266 0.000 1.038 448 Y CA -3.022 55.232 58.100 0.256 0.000 1.089 448 Y CB 0.639 39.169 38.460 0.116 0.000 1.241 448 Y HN 0.389 nan 8.280 nan 0.000 0.468 449 P HA 0.112 nan 4.420 nan 0.000 0.267 449 P C -0.699 176.597 177.300 -0.007 0.000 1.201 449 P CA 0.141 63.233 63.100 -0.014 0.000 0.775 449 P CB 0.388 32.118 31.700 0.051 0.000 0.854 450 c N 0.000 118.539 118.600 -0.101 0.000 2.653 450 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 450 c CA 0.000 56.299 56.329 -0.050 0.000 1.963 450 c CB 0.000 42.507 42.510 -0.005 0.000 2.134 450 c HN 0.000 nan 8.230 nan 0.000 0.568