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 1fcp_1_A DATA FIRST_RESID 19 DATA SEQUENCE ESAWGPAATI AARQSATGTK TDTPIQKVPQ SISVVTAEEX ALHQPKSVKE DATA SEQUENCE ALSYTPGVSV GTRGASNTYD HLIIRGFAAE GQSQNNYLNG LKLQGNFYND DATA SEQUENCE AVIDPYXLER AEIXRGPVSV LYGKSSPGGL LNXVSKRPTT EPLKEVQFKA DATA SEQUENCE GTDSLFQTGF DFSDSLDDDG VYSYRLTGLA RSANAQQKGS EEQRYAIAPA DATA SEQUENCE FTWRPDDKTN FTFLSYFQNE PETGYYGWLP KEGTVEPLPN GKRLPTDFNE DATA SEQUENCE GAKNNTYSRN EKXVGYSFDH EFNDTFTVRQ NLRFAENKTS QNSVYGYGVc DATA SEQUENCE SDPANAYSKQ cAALAPADKG HYLARKYVVD DEKLQNFSVD TQLQSKFATG DATA SEQUENCE DIDHTLLTGV DFXRXRNDIN AWFGYDDSVP LLNLYNPSHH HHHHGSVNTD DATA SEQUENCE FDFNAKDPAN SGPYRILNKQ KQTGVYVQDQ AQWDKVLVTL GGRYDWADQE DATA SEQUENCE SLNRVAGTTD KRDDKQFTWR GGVNYLFDNG VTPYFSYSES FEPSSQVGKD DATA SEQUENCE GNIFAPSKGK QYEVGVKYVP EDRPIVVTGA VYNLTKTNNL XADPEGSFFS DATA SEQUENCE VEGGEIRARG VEIEAKAALS ASVNVVGSYT YTDAEYTTDT TYKGNTPAQV DATA SEQUENCE PKHXASLWAD YTFFDGPLSG LTLGTGGRYT GSSYGDPANS FKVGSYTVVD DATA SEQUENCE ALVRYDLARV GXAGSNVALH VNNLFDREYV AScFNTYGcF WGAERQVVAT DATA SEQUENCE ATFRF 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.568 176.600 -0.053 0.000 1.382 19 E CA 0.000 56.375 56.400 -0.042 0.000 0.976 19 E CB 0.000 29.668 29.700 -0.054 0.000 0.812 20 S N 2.191 117.869 115.700 -0.035 0.000 2.585 20 S HA 0.560 5.030 4.470 -0.000 0.000 0.277 20 S C 0.984 175.509 174.600 -0.125 0.000 1.241 20 S CA 0.484 58.663 58.200 -0.034 0.000 1.041 20 S CB 1.403 64.649 63.200 0.078 0.000 0.987 20 S HN 0.592 nan 8.310 nan 0.000 0.512 21 A N 4.220 126.847 122.820 -0.321 0.000 2.172 21 A HA 0.087 4.406 4.320 -0.000 0.000 0.216 21 A C 1.073 178.328 177.584 -0.548 0.000 1.154 21 A CA 0.472 52.181 52.037 -0.547 0.000 0.701 21 A CB -0.297 18.166 19.000 -0.895 0.000 0.789 21 A HN 0.915 nan 8.150 nan 0.000 0.465 22 W N -0.831 120.439 121.300 -0.050 0.000 2.991 22 W HA 0.419 5.079 4.660 -0.000 0.000 0.391 22 W C 0.544 177.031 176.519 -0.054 0.000 1.054 22 W CA 0.152 57.466 57.345 -0.052 0.000 1.856 22 W CB -0.082 29.349 29.460 -0.049 0.000 1.132 22 W HN 0.340 nan 8.180 nan 0.000 0.601 23 G N 0.331 109.188 108.800 0.094 0.000 3.022 23 G HA2 0.591 4.551 3.960 -0.000 0.000 0.284 23 G HA3 0.591 4.551 3.960 -0.000 0.000 0.284 23 G C -2.872 172.027 174.900 -0.001 0.000 1.375 23 G CA -1.156 43.973 45.100 0.048 0.000 0.902 23 G HN -0.423 nan 8.290 nan 0.000 0.538 24 P HA 0.250 nan 4.420 nan 0.000 0.271 24 P C 0.320 177.603 177.300 -0.028 0.000 1.233 24 P CA 0.751 63.840 63.100 -0.018 0.000 0.795 24 P CB 0.809 32.502 31.700 -0.012 0.000 0.936 25 A N 0.359 123.160 122.820 -0.031 0.000 2.419 25 A HA 0.584 4.904 4.320 -0.000 0.000 0.233 25 A C 1.286 178.853 177.584 -0.029 0.000 1.217 25 A CA 1.086 53.101 52.037 -0.037 0.000 0.944 25 A CB -0.603 18.370 19.000 -0.046 0.000 1.025 25 A HN 0.542 nan 8.150 nan 0.000 0.524 26 A N -1.547 121.261 122.820 -0.020 0.000 1.347 26 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 26 A C 1.004 178.581 177.584 -0.010 0.000 0.455 26 A CA 1.932 53.961 52.037 -0.014 0.000 1.100 26 A CB -2.290 16.699 19.000 -0.018 0.000 1.467 26 A HN 0.960 nan 8.150 nan 0.000 0.721 27 T N -0.461 114.084 114.554 -0.015 0.000 2.940 27 T HA 0.588 4.938 4.350 -0.000 0.000 0.288 27 T C 1.097 175.790 174.700 -0.012 0.000 1.045 27 T CA -0.033 62.063 62.100 -0.008 0.000 1.018 27 T CB 1.095 69.957 68.868 -0.009 0.000 1.151 27 T HN 0.579 nan 8.240 nan 0.000 0.529 28 I N 0.862 121.430 120.570 -0.003 0.000 2.953 28 I HA 0.028 4.198 4.170 -0.000 0.000 0.271 28 I C 1.412 177.519 176.117 -0.017 0.000 1.286 28 I CA 0.599 61.893 61.300 -0.010 0.000 1.449 28 I CB -1.007 36.997 38.000 0.006 0.000 1.086 28 I HN 0.562 nan 8.210 nan 0.000 0.483 29 A N 1.276 124.086 122.820 -0.018 0.000 2.280 29 A HA 0.803 5.123 4.320 -0.000 0.000 0.320 29 A C 0.252 177.810 177.584 -0.042 0.000 1.366 29 A CA -0.429 51.593 52.037 -0.026 0.000 0.938 29 A CB -0.081 18.905 19.000 -0.022 0.000 1.157 29 A HN 0.209 nan 8.150 nan 0.000 0.536 30 A N 3.004 125.793 122.820 -0.053 0.000 2.260 30 A HA 0.551 4.871 4.320 -0.000 0.000 0.308 30 A C 0.938 178.475 177.584 -0.079 0.000 1.254 30 A CA -0.645 51.350 52.037 -0.069 0.000 0.874 30 A CB 0.309 19.261 19.000 -0.080 0.000 1.153 30 A HN 0.865 nan 8.150 nan 0.000 0.527 31 R N 0.812 121.263 120.500 -0.083 0.000 2.254 31 R HA 0.072 4.412 4.340 -0.000 0.000 0.195 31 R C -0.224 176.011 176.300 -0.109 0.000 0.957 31 R CA 0.396 56.442 56.100 -0.090 0.000 1.024 31 R CB 0.252 30.503 30.300 -0.083 0.000 0.952 31 R HN 0.702 nan 8.270 nan 0.000 0.484 32 Q N 0.585 120.311 119.800 -0.123 0.000 2.282 32 Q HA 0.366 4.705 4.340 -0.000 0.000 0.260 32 Q C -0.881 174.996 176.000 -0.206 0.000 0.964 32 Q CA -0.211 55.494 55.803 -0.162 0.000 0.880 32 Q CB 2.469 31.108 28.738 -0.164 0.000 1.286 32 Q HN -0.108 nan 8.270 nan 0.000 0.445 33 S N 0.005 115.558 115.700 -0.244 0.000 2.566 33 S HA 0.626 5.096 4.470 -0.000 0.000 0.273 33 S C -0.849 173.555 174.600 -0.325 0.000 1.157 33 S CA 0.015 58.047 58.200 -0.280 0.000 0.938 33 S CB 1.270 64.347 63.200 -0.205 0.000 1.087 33 S HN 0.590 nan 8.310 nan 0.000 0.474 34 A N 2.641 125.203 122.820 -0.429 0.000 2.390 34 A HA 0.279 4.599 4.320 -0.000 0.000 0.232 34 A C 1.486 178.963 177.584 -0.178 0.000 1.233 34 A CA 0.758 52.561 52.037 -0.390 0.000 0.907 34 A CB -0.408 18.137 19.000 -0.758 0.000 0.967 34 A HN 1.157 nan 8.150 nan 0.000 0.512 35 T N -4.275 110.191 114.554 -0.146 0.000 3.219 35 T HA 0.285 4.635 4.350 -0.000 0.000 0.249 35 T C 1.216 175.914 174.700 -0.004 0.000 1.099 35 T CA 1.009 63.095 62.100 -0.023 0.000 0.988 35 T CB 0.266 69.088 68.868 -0.077 0.000 0.999 35 T HN 0.240 nan 8.240 nan 0.000 0.550 36 G N 0.960 109.714 108.800 -0.077 0.000 2.781 36 G HA2 0.193 4.152 3.960 -0.000 0.000 0.208 36 G HA3 0.193 4.152 3.960 -0.000 0.000 0.208 36 G C 1.239 176.077 174.900 -0.103 0.000 1.099 36 G CA 0.543 45.590 45.100 -0.090 0.000 0.776 36 G HN 0.628 nan 8.290 nan 0.000 0.532 37 T N -3.345 111.145 114.554 -0.106 0.000 3.130 37 T HA 0.245 4.594 4.350 -0.000 0.000 0.288 37 T C 0.960 175.616 174.700 -0.072 0.000 0.936 37 T CA 0.318 62.359 62.100 -0.098 0.000 0.897 37 T CB 0.107 68.922 68.868 -0.089 0.000 1.178 37 T HN 0.082 nan 8.240 nan 0.000 0.543 38 K N 1.562 121.920 120.400 -0.071 0.000 3.209 38 K HA -0.147 4.173 4.320 -0.000 0.000 0.289 38 K C -0.356 176.295 176.600 0.084 0.000 1.191 38 K CA 1.384 57.674 56.287 0.006 0.000 0.851 38 K CB -2.597 29.890 32.500 -0.022 0.000 1.242 38 K HN 0.863 nan 8.250 nan 0.000 0.480 39 T N -2.523 112.035 114.554 0.007 0.000 3.105 39 T HA 0.162 4.512 4.350 -0.000 0.000 0.321 39 T C -0.676 173.954 174.700 -0.117 0.000 1.135 39 T CA -1.011 61.102 62.100 0.021 0.000 1.053 39 T CB 2.212 71.094 68.868 0.023 0.000 1.133 39 T HN 0.051 nan 8.240 nan 0.000 0.463 40 D N 2.662 122.954 120.400 -0.180 0.000 2.518 40 D HA 0.104 4.743 4.640 -0.000 0.000 0.270 40 D C -0.458 175.737 176.300 -0.175 0.000 1.338 40 D CA 0.988 54.808 54.000 -0.300 0.000 0.983 40 D CB 0.135 40.799 40.800 -0.227 0.000 1.126 40 D HN 0.610 nan 8.370 nan 0.000 0.543 41 T N 5.578 120.019 114.554 -0.189 0.000 2.886 41 T HA 0.384 4.733 4.350 -0.000 0.000 0.292 41 T C -2.510 172.105 174.700 -0.141 0.000 1.012 41 T CA -1.294 60.723 62.100 -0.139 0.000 0.982 41 T CB 2.408 71.201 68.868 -0.125 0.000 1.018 41 T HN 0.235 nan 8.240 nan 0.000 0.451 42 P HA 0.157 nan 4.420 nan 0.000 0.268 42 P C 1.481 178.711 177.300 -0.116 0.000 1.204 42 P CA -0.342 62.693 63.100 -0.108 0.000 0.768 42 P CB 0.481 32.131 31.700 -0.084 0.000 0.842 43 I N 2.084 122.581 120.570 -0.121 0.000 2.181 43 I HA -0.383 3.786 4.170 -0.000 0.000 0.247 43 I C 2.102 178.137 176.117 -0.137 0.000 1.081 43 I CA 1.729 62.950 61.300 -0.132 0.000 1.340 43 I CB -1.377 36.555 38.000 -0.113 0.000 1.036 43 I HN 0.332 nan 8.210 nan 0.000 0.417 44 Q N 2.564 122.305 119.800 -0.097 0.000 2.181 44 Q HA -0.211 4.128 4.340 -0.000 0.000 0.205 44 Q C 1.527 177.476 176.000 -0.084 0.000 0.980 44 Q CA 1.715 57.477 55.803 -0.069 0.000 0.862 44 Q CB -0.602 28.122 28.738 -0.024 0.000 0.905 44 Q HN 0.646 nan 8.270 nan 0.000 0.429 45 K N 0.876 121.221 120.400 -0.091 0.000 2.476 45 K HA 0.221 4.541 4.320 -0.000 0.000 0.196 45 K C -0.481 176.040 176.600 -0.132 0.000 1.025 45 K CA -0.121 56.114 56.287 -0.087 0.000 1.138 45 K CB 0.720 33.178 32.500 -0.070 0.000 0.860 45 K HN -0.012 nan 8.250 nan 0.000 0.515 46 V N 3.035 122.831 119.914 -0.198 0.000 2.384 46 V HA 0.122 4.242 4.120 -0.000 0.000 0.287 46 V C -1.661 174.210 176.094 -0.372 0.000 1.020 46 V CA -1.656 60.504 62.300 -0.233 0.000 0.850 46 V CB 1.590 33.283 31.823 -0.216 0.000 0.987 46 V HN 0.066 nan 8.190 nan 0.000 0.436 47 P HA -0.037 nan 4.420 nan 0.000 0.251 47 P C 0.097 177.257 177.300 -0.233 0.000 1.251 47 P CA 0.651 63.597 63.100 -0.257 0.000 0.763 47 P CB 0.466 32.092 31.700 -0.122 0.000 1.067 48 Q N -1.042 118.562 119.800 -0.327 0.000 2.416 48 Q HA 0.330 4.670 4.340 -0.000 0.000 0.281 48 Q C -0.580 175.309 176.000 -0.186 0.000 1.067 48 Q CA -0.757 54.941 55.803 -0.176 0.000 0.809 48 Q CB 2.199 30.849 28.738 -0.146 0.000 1.418 48 Q HN -0.182 nan 8.270 nan 0.000 0.411 49 S N 1.803 117.467 115.700 -0.059 0.000 2.507 49 S HA 0.153 4.623 4.470 -0.000 0.000 0.299 49 S C -0.449 174.094 174.600 -0.096 0.000 1.214 49 S CA 0.167 58.344 58.200 -0.037 0.000 1.137 49 S CB -0.437 62.761 63.200 -0.004 0.000 1.009 49 S HN 0.224 nan 8.310 nan 0.000 0.512 50 I N 2.868 123.375 120.570 -0.104 0.000 2.466 50 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 50 I C 0.137 176.201 176.117 -0.088 0.000 1.026 50 I CA 0.071 61.302 61.300 -0.114 0.000 1.078 50 I CB 2.085 40.002 38.000 -0.138 0.000 1.249 50 I HN 0.373 nan 8.210 nan 0.000 0.429 51 S N 4.268 119.917 115.700 -0.085 0.000 2.537 51 S HA 0.801 5.271 4.470 -0.000 0.000 0.301 51 S C -0.781 173.771 174.600 -0.079 0.000 1.092 51 S CA -0.589 57.572 58.200 -0.065 0.000 1.048 51 S CB 1.846 65.017 63.200 -0.050 0.000 1.053 51 S HN 0.279 nan 8.310 nan 0.000 0.501 52 V N 3.444 123.316 119.914 -0.070 0.000 2.447 52 V HA 0.335 4.455 4.120 -0.000 0.000 0.292 52 V C -0.664 175.389 176.094 -0.068 0.000 1.021 52 V CA -0.712 61.541 62.300 -0.079 0.000 0.850 52 V CB 1.658 33.428 31.823 -0.089 0.000 1.005 52 V HN 0.670 nan 8.190 nan 0.000 0.426 53 V N 4.668 124.538 119.914 -0.073 0.000 2.385 53 V HA 0.328 4.448 4.120 -0.000 0.000 0.269 53 V C 0.915 176.965 176.094 -0.074 0.000 1.043 53 V CA -0.291 61.964 62.300 -0.075 0.000 0.906 53 V CB 1.419 33.193 31.823 -0.083 0.000 0.995 53 V HN 0.999 nan 8.190 nan 0.000 0.467 54 T N 2.666 117.179 114.554 -0.068 0.000 2.813 54 T HA 0.419 4.769 4.350 -0.000 0.000 0.297 54 T C 1.399 176.067 174.700 -0.054 0.000 1.036 54 T CA 0.022 62.088 62.100 -0.058 0.000 1.044 54 T CB 1.349 70.189 68.868 -0.047 0.000 0.993 54 T HN 0.707 nan 8.240 nan 0.000 0.535 55 A N -0.259 122.535 122.820 -0.043 0.000 2.014 55 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 55 A C 2.270 179.841 177.584 -0.022 0.000 1.163 55 A CA 1.405 53.422 52.037 -0.033 0.000 0.652 55 A CB -0.899 18.084 19.000 -0.029 0.000 0.808 55 A HN 1.016 nan 8.150 nan 0.000 0.449 56 E N 0.383 120.570 120.200 -0.022 0.000 2.051 56 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 56 E C 1.148 177.731 176.600 -0.027 0.000 0.991 56 E CA 0.729 57.121 56.400 -0.013 0.000 0.799 56 E CB -0.096 29.599 29.700 -0.008 0.000 0.748 56 E HN 0.756 nan 8.360 nan 0.000 0.449 60 L N -0.874 120.341 121.223 -0.014 0.000 2.467 60 L HA 0.401 4.741 4.340 -0.000 0.000 0.213 60 L C 1.477 178.263 176.870 -0.141 0.000 1.053 60 L CA 1.935 56.734 54.840 -0.068 0.000 0.847 60 L CB -0.092 41.799 42.059 -0.279 0.000 1.075 60 L HN 0.483 nan 8.230 nan 0.000 0.479 61 H N -1.632 117.324 119.070 -0.189 0.000 2.755 61 H HA 0.304 4.860 4.556 -0.000 0.000 0.273 61 H C -0.007 175.120 175.328 -0.335 0.000 1.055 61 H CA -0.338 55.615 56.048 -0.159 0.000 1.191 61 H CB 0.281 29.950 29.762 -0.155 0.000 1.536 61 H HN 0.005 nan 8.280 nan 0.000 0.529 62 Q N 0.640 120.255 119.800 -0.308 0.000 2.435 62 Q HA -0.128 4.212 4.340 -0.000 0.000 0.312 62 Q C -2.087 173.807 176.000 -0.176 0.000 1.333 62 Q CA 0.475 56.078 55.803 -0.333 0.000 0.883 62 Q CB -1.826 26.557 28.738 -0.592 0.000 1.170 62 Q HN 0.536 nan 8.270 nan 0.000 0.443 63 P HA -0.097 nan 4.420 nan 0.000 0.266 63 P C 0.714 177.969 177.300 -0.074 0.000 1.186 63 P CA 0.356 63.415 63.100 -0.069 0.000 0.767 63 P CB 0.734 32.393 31.700 -0.069 0.000 0.820 64 K N 0.858 121.223 120.400 -0.059 0.000 2.186 64 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 64 K C 0.779 177.346 176.600 -0.054 0.000 1.052 64 K CA 0.754 57.006 56.287 -0.059 0.000 0.965 64 K CB 0.204 32.674 32.500 -0.050 0.000 0.746 64 K HN 0.700 nan 8.250 nan 0.000 0.457 65 S N -2.362 113.308 115.700 -0.049 0.000 2.671 65 S HA 0.182 4.652 4.470 -0.000 0.000 0.277 65 S C 0.740 175.310 174.600 -0.050 0.000 1.165 65 S CA -0.934 57.238 58.200 -0.047 0.000 0.822 65 S CB 1.596 64.769 63.200 -0.046 0.000 1.150 65 S HN -0.172 nan 8.310 nan 0.000 0.479 66 V N 1.653 121.535 119.914 -0.054 0.000 2.759 66 V HA -0.089 4.030 4.120 -0.000 0.000 0.256 66 V C 2.571 178.631 176.094 -0.056 0.000 1.080 66 V CA 1.805 64.068 62.300 -0.062 0.000 1.101 66 V CB -1.069 30.711 31.823 -0.072 0.000 0.698 66 V HN 0.847 nan 8.190 nan 0.000 0.477 67 K N 0.208 120.582 120.400 -0.043 0.000 1.969 67 K HA -0.251 4.069 4.320 -0.000 0.000 0.216 67 K C 2.254 178.831 176.600 -0.038 0.000 1.048 67 K CA 2.073 58.341 56.287 -0.032 0.000 0.948 67 K CB -0.190 32.302 32.500 -0.014 0.000 0.726 67 K HN 0.363 nan 8.250 nan 0.000 0.442 68 E N 0.244 120.422 120.200 -0.037 0.000 2.086 68 E HA -0.219 4.130 4.350 -0.000 0.000 0.200 68 E C 1.669 178.229 176.600 -0.067 0.000 1.012 68 E CA 1.624 57.999 56.400 -0.041 0.000 0.812 68 E CB -0.256 29.422 29.700 -0.036 0.000 0.743 68 E HN 0.411 nan 8.360 nan 0.000 0.453 69 A N -0.143 122.630 122.820 -0.079 0.000 2.194 69 A HA -0.133 4.186 4.320 -0.000 0.000 0.220 69 A C 1.634 179.167 177.584 -0.086 0.000 1.162 69 A CA 1.012 52.986 52.037 -0.105 0.000 0.674 69 A CB -0.373 18.573 19.000 -0.091 0.000 0.789 69 A HN 0.237 nan 8.150 nan 0.000 0.470 70 L N -0.946 120.239 121.223 -0.062 0.000 2.769 70 L HA 0.116 4.456 4.340 -0.000 0.000 0.240 70 L C 1.698 178.543 176.870 -0.041 0.000 1.163 70 L CA 0.005 54.818 54.840 -0.046 0.000 0.962 70 L CB 0.288 42.314 42.059 -0.054 0.000 1.258 70 L HN 0.171 nan 8.230 nan 0.000 0.513 71 S N -0.456 115.210 115.700 -0.056 0.000 2.442 71 S HA -0.117 4.353 4.470 -0.000 0.000 0.236 71 S C 1.350 175.767 174.600 -0.305 0.000 1.007 71 S CA 1.318 59.418 58.200 -0.166 0.000 0.965 71 S CB -0.150 62.915 63.200 -0.226 0.000 0.773 71 S HN 0.464 nan 8.310 nan 0.000 0.504 72 Y N 1.460 121.708 120.300 -0.086 0.000 2.481 72 Y HA 0.177 4.727 4.550 -0.000 0.000 0.258 72 Y C 1.126 177.017 175.900 -0.015 0.000 1.103 72 Y CA -0.320 57.761 58.100 -0.033 0.000 1.287 72 Y CB -0.413 38.016 38.460 -0.052 0.000 1.108 72 Y HN 0.080 nan 8.280 nan 0.000 0.529 73 T N 2.744 117.347 114.554 0.081 0.000 2.834 73 T HA 0.180 4.529 4.350 -0.000 0.000 0.298 73 T C -2.483 172.224 174.700 0.012 0.000 0.966 73 T CA -1.695 60.428 62.100 0.038 0.000 1.141 73 T CB 1.091 69.958 68.868 -0.002 0.000 0.905 73 T HN -0.029 nan 8.240 nan 0.000 0.535 74 P HA 0.309 nan 4.420 nan 0.000 0.274 74 P C 0.958 178.248 177.300 -0.017 0.000 1.231 74 P CA 0.155 63.261 63.100 0.009 0.000 0.790 74 P CB 0.736 32.464 31.700 0.045 0.000 0.951 75 G N 0.367 109.148 108.800 -0.032 0.000 2.179 75 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.260 75 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.260 75 G C -0.248 174.611 174.900 -0.069 0.000 0.977 75 G CA 0.023 45.095 45.100 -0.046 0.000 0.641 75 G HN 0.572 nan 8.290 nan 0.000 0.533 76 V N 1.539 121.413 119.914 -0.066 0.000 2.531 76 V HA 0.715 4.835 4.120 -0.000 0.000 0.301 76 V C 0.535 176.591 176.094 -0.063 0.000 1.034 76 V CA -0.232 62.027 62.300 -0.069 0.000 0.865 76 V CB 1.791 33.574 31.823 -0.067 0.000 0.995 76 V HN 0.955 nan 8.190 nan 0.000 0.424 77 S N 3.374 119.039 115.700 -0.058 0.000 2.616 77 S HA 0.675 5.145 4.470 -0.000 0.000 0.277 77 S C 0.171 174.764 174.600 -0.013 0.000 1.234 77 S CA -0.045 58.132 58.200 -0.040 0.000 1.028 77 S CB 1.776 64.953 63.200 -0.038 0.000 0.988 77 S HN 1.526 nan 8.310 nan 0.000 0.522 78 V N -1.528 118.392 119.914 0.011 0.000 3.157 78 V HA 0.640 4.759 4.120 -0.000 0.000 0.361 78 V C 0.488 176.612 176.094 0.049 0.000 1.421 78 V CA 0.097 62.410 62.300 0.022 0.000 1.213 78 V CB 0.094 31.918 31.823 0.001 0.000 1.164 78 V HN 1.008 nan 8.190 nan 0.000 0.559 79 G N -0.326 108.516 108.800 0.070 0.000 3.735 79 G HA2 0.159 4.119 3.960 -0.000 0.000 0.283 79 G HA3 0.159 4.119 3.960 -0.000 0.000 0.283 79 G C 0.706 175.643 174.900 0.061 0.000 1.007 79 G CA 0.706 45.863 45.100 0.095 0.000 0.821 79 G HN 0.346 nan 8.290 nan 0.000 0.505 80 T N 0.048 114.617 114.554 0.024 0.000 3.118 80 T HA -0.034 4.316 4.350 -0.000 0.000 0.269 80 T C 1.824 176.395 174.700 -0.216 0.000 1.166 80 T CA 0.938 63.024 62.100 -0.023 0.000 1.073 80 T CB 0.089 68.950 68.868 -0.012 0.000 0.884 80 T HN 0.285 nan 8.240 nan 0.000 0.550 81 R N -0.774 119.563 120.500 -0.272 0.000 2.468 81 R HA 0.366 4.705 4.340 -0.000 0.000 0.352 81 R C 1.028 177.132 176.300 -0.326 0.000 0.858 81 R CA 0.569 56.241 56.100 -0.713 0.000 1.108 81 R CB 0.061 30.058 30.300 -0.504 0.000 1.741 81 R HN 0.267 nan 8.270 nan 0.000 0.504 82 G N 0.560 109.336 108.800 -0.040 0.000 2.574 82 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.282 82 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.282 82 G C 1.045 175.959 174.900 0.024 0.000 1.257 82 G CA 0.452 45.580 45.100 0.046 0.000 0.956 82 G HN 0.521 nan 8.290 nan 0.000 0.560 83 A N -0.558 122.287 122.820 0.042 0.000 2.042 83 A HA 0.177 4.497 4.320 -0.000 0.000 0.222 83 A C 2.121 179.738 177.584 0.056 0.000 1.167 83 A CA 2.640 54.700 52.037 0.038 0.000 0.649 83 A CB -0.831 18.188 19.000 0.032 0.000 0.809 83 A HN 2.261 nan 8.150 nan 0.000 0.457 84 S N -0.599 115.154 115.700 0.089 0.000 2.559 84 S HA 0.047 4.516 4.470 -0.000 0.000 0.282 84 S C 0.835 175.439 174.600 0.006 0.000 1.336 84 S CA 0.179 58.425 58.200 0.078 0.000 1.037 84 S CB 0.058 63.301 63.200 0.072 0.000 0.853 84 S HN 0.579 nan 8.310 nan 0.000 0.523 85 N N 1.039 119.717 118.700 -0.038 0.000 2.116 85 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 85 N C 0.665 176.064 175.510 -0.185 0.000 1.326 85 N CA 0.082 53.083 53.050 -0.081 0.000 0.867 85 N CB 0.332 38.774 38.487 -0.074 0.000 1.174 85 N HN 0.558 nan 8.380 nan 0.000 0.506 86 T N 0.436 114.803 114.554 -0.312 0.000 2.760 86 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 86 T C -0.302 173.880 174.700 -0.863 0.000 1.047 86 T CA 1.633 63.293 62.100 -0.733 0.000 1.139 86 T CB -0.102 68.048 68.868 -1.198 0.000 0.855 86 T HN 0.215 nan 8.240 nan 0.000 0.471 87 Y N -0.454 119.755 120.300 -0.151 0.000 2.534 87 Y HA 0.355 4.905 4.550 -0.000 0.000 0.345 87 Y C -0.712 175.170 175.900 -0.030 0.000 1.031 87 Y CA -1.959 56.089 58.100 -0.087 0.000 1.022 87 Y CB 1.309 39.735 38.460 -0.056 0.000 1.292 87 Y HN -0.160 nan 8.280 nan 0.000 0.459 88 D N 1.253 121.738 120.400 0.142 0.000 2.896 88 D HA -0.001 4.639 4.640 -0.000 0.000 0.240 88 D C -0.356 175.983 176.300 0.066 0.000 1.193 88 D CA 0.160 54.196 54.000 0.060 0.000 0.983 88 D CB -0.292 40.508 40.800 -0.001 0.000 1.074 88 D HN 0.461 nan 8.370 nan 0.000 0.496 89 H N 2.055 121.133 119.070 0.014 0.000 2.723 89 H HA 0.294 4.850 4.556 -0.000 0.000 0.294 89 H C -0.722 174.579 175.328 -0.045 0.000 1.079 89 H CA -0.075 55.954 56.048 -0.031 0.000 1.411 89 H CB 0.356 30.096 29.762 -0.035 0.000 1.439 89 H HN 0.136 nan 8.280 nan 0.000 0.474 90 L N 5.976 127.046 121.223 -0.255 0.000 2.333 90 L HA 0.474 4.814 4.340 -0.000 0.000 0.269 90 L C 0.036 176.787 176.870 -0.198 0.000 1.010 90 L CA -1.046 53.716 54.840 -0.129 0.000 0.818 90 L CB 2.334 44.323 42.059 -0.118 0.000 1.306 90 L HN 0.500 nan 8.230 nan 0.000 0.430 91 I N 3.048 123.573 120.570 -0.075 0.000 2.355 91 I HA 0.390 4.560 4.170 -0.000 0.000 0.288 91 I C -0.632 175.435 176.117 -0.083 0.000 0.999 91 I CA -0.287 60.968 61.300 -0.075 0.000 1.163 91 I CB 1.586 39.562 38.000 -0.040 0.000 1.316 91 I HN 0.391 nan 8.210 nan 0.000 0.454 92 I N 6.494 127.014 120.570 -0.082 0.000 2.355 92 I HA 0.362 4.531 4.170 -0.000 0.000 0.288 92 I C 0.653 176.743 176.117 -0.045 0.000 0.999 92 I CA -0.686 60.565 61.300 -0.082 0.000 1.163 92 I CB 1.157 39.091 38.000 -0.110 0.000 1.316 92 I HN 0.597 nan 8.210 nan 0.000 0.454 93 R N 4.502 124.965 120.500 -0.061 0.000 3.770 93 R HA -0.205 4.135 4.340 -0.000 0.000 0.305 93 R C 0.887 177.192 176.300 0.009 0.000 1.184 93 R CA 0.946 57.035 56.100 -0.017 0.000 0.823 93 R CB -1.533 28.702 30.300 -0.107 0.000 1.285 93 R HN 1.203 nan 8.270 nan 0.000 0.499 94 G N -2.927 105.791 108.800 -0.137 0.000 2.176 94 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.253 94 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.253 94 G C 0.062 174.579 174.900 -0.639 0.000 0.979 94 G CA 0.278 45.146 45.100 -0.387 0.000 0.641 94 G HN 0.293 nan 8.290 nan 0.000 0.530 95 F N 0.759 120.634 119.950 -0.125 0.000 2.561 95 F HA 0.839 5.366 4.527 -0.000 0.000 0.321 95 F C 0.449 176.168 175.800 -0.136 0.000 1.065 95 F CA -0.241 57.683 58.000 -0.127 0.000 0.934 95 F CB 2.309 41.228 39.000 -0.135 0.000 1.215 95 F HN 0.403 nan 8.300 nan 0.000 0.471 96 A N 0.800 123.659 122.820 0.065 0.000 2.569 96 A HA 0.887 5.206 4.320 -0.000 0.000 0.290 96 A C -1.184 176.376 177.584 -0.039 0.000 1.136 96 A CA -0.711 51.290 52.037 -0.061 0.000 0.710 96 A CB 0.831 19.780 19.000 -0.085 0.000 1.303 96 A HN 1.028 nan 8.150 nan 0.000 0.413 97 A N 0.516 123.271 122.820 -0.108 0.000 2.445 97 A HA 0.524 4.844 4.320 -0.000 0.000 0.242 97 A C 0.203 177.770 177.584 -0.028 0.000 1.075 97 A CA -0.226 51.764 52.037 -0.078 0.000 0.777 97 A CB -0.108 18.825 19.000 -0.112 0.000 1.013 97 A HN 0.702 nan 8.150 nan 0.000 0.493 98 E N 0.355 120.547 120.200 -0.014 0.000 2.415 98 E HA 0.316 4.666 4.350 -0.000 0.000 0.262 98 E C 1.095 177.699 176.600 0.008 0.000 1.038 98 E CA 1.283 57.691 56.400 0.013 0.000 0.921 98 E CB 0.362 30.078 29.700 0.026 0.000 0.950 98 E HN 1.495 nan 8.360 nan 0.000 0.438 99 G N 2.755 111.563 108.800 0.013 0.000 2.198 99 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.257 99 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.257 99 G C 0.417 175.283 174.900 -0.057 0.000 1.042 99 G CA 0.474 45.570 45.100 -0.006 0.000 0.791 99 G HN 0.475 nan 8.290 nan 0.000 0.502 100 Q N -1.996 117.784 119.800 -0.034 0.000 2.461 100 Q HA -0.207 4.133 4.340 -0.000 0.000 0.264 100 Q C 0.711 176.701 176.000 -0.015 0.000 1.085 100 Q CA 1.528 57.316 55.803 -0.025 0.000 1.006 100 Q CB -1.722 26.909 28.738 -0.178 0.000 1.437 100 Q HN 1.114 nan 8.270 nan 0.000 0.514 101 S N -0.727 114.949 115.700 -0.040 0.000 2.616 101 S HA 0.385 4.855 4.470 -0.000 0.000 0.277 101 S C 0.530 175.058 174.600 -0.120 0.000 1.234 101 S CA -0.448 57.691 58.200 -0.102 0.000 1.028 101 S CB 1.048 64.193 63.200 -0.091 0.000 0.988 101 S HN 0.288 nan 8.310 nan 0.000 0.522 102 Q N 1.229 120.938 119.800 -0.152 0.000 2.492 102 Q HA 0.260 4.600 4.340 -0.000 0.000 0.184 102 Q C -0.405 175.489 176.000 -0.177 0.000 1.126 102 Q CA -0.100 55.595 55.803 -0.181 0.000 1.196 102 Q CB 0.180 28.842 28.738 -0.126 0.000 1.240 102 Q HN 0.684 nan 8.270 nan 0.000 0.651 103 N N -0.146 118.458 118.700 -0.161 0.000 2.728 103 N HA 0.114 4.853 4.740 -0.000 0.000 0.221 103 N C -2.081 173.396 175.510 -0.055 0.000 1.412 103 N CA -0.060 52.922 53.050 -0.114 0.000 1.003 103 N CB 0.107 38.523 38.487 -0.119 0.000 1.525 103 N HN 0.321 nan 8.380 nan 0.000 0.552 104 N N 0.747 119.389 118.700 -0.096 0.000 2.372 104 N HA 0.362 5.102 4.740 -0.000 0.000 0.291 104 N C -1.399 174.044 175.510 -0.111 0.000 1.024 104 N CA -0.056 52.959 53.050 -0.058 0.000 0.873 104 N CB 0.735 39.162 38.487 -0.099 0.000 1.206 104 N HN 0.167 nan 8.380 nan 0.000 0.486 105 Y N 0.585 120.756 120.300 -0.215 0.000 2.409 105 Y HA 0.551 5.101 4.550 -0.000 0.000 0.339 105 Y C -0.227 175.568 175.900 -0.176 0.000 1.033 105 Y CA -1.058 56.917 58.100 -0.208 0.000 1.094 105 Y CB 1.567 39.861 38.460 -0.276 0.000 1.210 105 Y HN 0.354 nan 8.280 nan 0.000 0.456 106 L N 4.442 125.636 121.223 -0.048 0.000 2.372 106 L HA 0.505 4.845 4.340 -0.000 0.000 0.273 106 L C -0.542 176.300 176.870 -0.047 0.000 0.989 106 L CA -0.378 54.410 54.840 -0.087 0.000 0.841 106 L CB 0.581 42.537 42.059 -0.171 0.000 1.225 106 L HN 0.750 nan 8.230 nan 0.000 0.414 107 N N 4.073 122.772 118.700 -0.002 0.000 2.747 107 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 107 N C 0.895 176.467 175.510 0.102 0.000 1.107 107 N CA 1.289 54.366 53.050 0.046 0.000 0.707 107 N CB -1.376 37.099 38.487 -0.020 0.000 1.054 107 N HN 1.301 nan 8.380 nan 0.000 0.555 108 G N -1.407 107.489 108.800 0.161 0.000 2.176 108 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.253 108 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.253 108 G C -0.158 174.921 174.900 0.298 0.000 0.979 108 G CA 0.481 45.742 45.100 0.268 0.000 0.641 108 G HN 0.398 nan 8.290 nan 0.000 0.530 109 L N 0.468 121.787 121.223 0.160 0.000 2.349 109 L HA 0.493 4.833 4.340 -0.000 0.000 0.278 109 L C 0.512 177.276 176.870 -0.178 0.000 0.996 109 L CA -1.014 53.846 54.840 0.032 0.000 0.825 109 L CB 1.931 43.938 42.059 -0.087 0.000 1.243 109 L HN 0.148 nan 8.230 nan 0.000 0.412 110 K N 2.851 122.955 120.400 -0.493 0.000 2.436 110 K HA 0.174 4.494 4.320 -0.000 0.000 0.275 110 K C -0.217 176.053 176.600 -0.550 0.000 0.999 110 K CA -0.149 55.505 56.287 -1.054 0.000 0.980 110 K CB 0.581 32.296 32.500 -1.309 0.000 0.919 110 K HN 0.573 nan 8.250 nan 0.000 0.484 111 L N 5.242 126.173 121.223 -0.486 0.000 2.536 111 L HA 0.084 4.424 4.340 -0.000 0.000 0.242 111 L C 0.257 176.966 176.870 -0.268 0.000 1.280 111 L CA -0.372 54.286 54.840 -0.302 0.000 1.221 111 L CB 0.343 42.261 42.059 -0.234 0.000 1.449 111 L HN 0.580 nan 8.230 nan 0.000 0.405 112 Q N 1.575 121.213 119.800 -0.270 0.000 2.239 112 Q HA 0.146 4.486 4.340 -0.000 0.000 0.286 112 Q C 0.319 176.241 176.000 -0.130 0.000 1.102 112 Q CA 0.254 55.936 55.803 -0.201 0.000 0.936 112 Q CB 1.394 30.026 28.738 -0.176 0.000 1.127 112 Q HN 0.572 nan 8.270 nan 0.000 0.380 113 G N 2.713 111.450 108.800 -0.104 0.000 2.932 113 G HA2 0.539 4.499 3.960 -0.000 0.000 0.283 113 G HA3 0.539 4.499 3.960 -0.000 0.000 0.283 113 G C -0.809 174.075 174.900 -0.027 0.000 1.336 113 G CA -0.450 44.618 45.100 -0.054 0.000 1.056 113 G HN 0.631 nan 8.290 nan 0.000 0.522 114 N N -1.181 117.532 118.700 0.021 0.000 2.446 114 N HA 0.323 5.063 4.740 -0.000 0.000 0.272 114 N C -0.212 175.401 175.510 0.172 0.000 1.127 114 N CA -0.369 52.724 53.050 0.072 0.000 0.896 114 N CB 1.847 40.378 38.487 0.074 0.000 1.658 114 N HN 0.461 nan 8.380 nan 0.000 0.483 115 F N 1.897 121.801 119.950 -0.078 0.000 2.192 115 F HA -0.396 4.130 4.527 -0.000 0.000 0.317 115 F C 0.479 176.133 175.800 -0.243 0.000 1.454 115 F CA 1.676 59.587 58.000 -0.149 0.000 0.932 115 F CB -0.947 38.059 39.000 0.011 0.000 4.108 115 F HN 0.684 nan 8.300 nan 0.000 0.138 116 Y N 0.268 120.571 120.300 0.004 0.000 2.502 116 Y HA 0.167 4.717 4.550 -0.000 0.000 0.295 116 Y C 1.233 177.220 175.900 0.145 0.000 1.193 116 Y CA 0.771 58.880 58.100 0.015 0.000 1.295 116 Y CB -0.509 37.990 38.460 0.066 0.000 1.059 116 Y HN 0.201 nan 8.280 nan 0.000 0.514 117 N N 1.543 120.376 118.700 0.222 0.000 3.229 117 N HA 0.038 4.777 4.740 -0.000 0.000 0.275 117 N C -1.421 174.152 175.510 0.105 0.000 1.225 117 N CA 0.132 53.293 53.050 0.186 0.000 1.119 117 N CB -0.178 38.404 38.487 0.158 0.000 1.392 117 N HN 0.113 nan 8.380 nan 0.000 0.520 118 D N 0.258 120.745 120.400 0.145 0.000 2.362 118 D HA 0.430 5.070 4.640 -0.000 0.000 0.247 118 D C -0.562 175.834 176.300 0.159 0.000 1.050 118 D CA -0.369 53.677 54.000 0.076 0.000 0.839 118 D CB 2.217 42.985 40.800 -0.054 0.000 1.283 118 D HN 0.325 nan 8.370 nan 0.000 0.477 119 A N 1.433 124.287 122.820 0.057 0.000 2.295 119 A HA 0.704 5.023 4.320 -0.000 0.000 0.318 119 A C -0.165 177.428 177.584 0.016 0.000 1.134 119 A CA -0.547 51.514 52.037 0.040 0.000 0.827 119 A CB 1.034 20.032 19.000 -0.003 0.000 1.136 119 A HN 0.373 nan 8.150 nan 0.000 0.493 120 V N -0.519 119.402 119.914 0.011 0.000 2.876 120 V HA 0.766 4.886 4.120 -0.000 0.000 0.312 120 V C -0.878 175.194 176.094 -0.036 0.000 1.085 120 V CA -0.950 61.335 62.300 -0.024 0.000 0.945 120 V CB 1.635 33.443 31.823 -0.026 0.000 1.017 120 V HN 0.634 nan 8.190 nan 0.000 0.428 121 I N 2.417 122.903 120.570 -0.141 0.000 2.441 121 I HA 0.470 4.640 4.170 -0.000 0.000 0.295 121 I C 0.119 176.171 176.117 -0.108 0.000 0.994 121 I CA -0.176 60.938 61.300 -0.309 0.000 1.144 121 I CB 1.542 39.223 38.000 -0.532 0.000 1.314 121 I HN 0.869 nan 8.210 nan 0.000 0.445 122 D N 7.756 128.187 120.400 0.052 0.000 2.389 122 D HA 0.128 4.767 4.640 -0.000 0.000 0.247 122 D C -1.478 174.830 176.300 0.013 0.000 1.128 122 D CA -1.243 52.796 54.000 0.066 0.000 0.884 122 D CB 2.133 43.023 40.800 0.150 0.000 1.194 122 D HN 0.275 nan 8.370 nan 0.000 0.441 123 P HA -0.170 nan 4.420 nan 0.000 0.221 123 P C 0.737 178.068 177.300 0.052 0.000 1.145 123 P CA 0.666 63.763 63.100 -0.006 0.000 0.795 123 P CB 0.089 31.776 31.700 -0.021 0.000 0.775 127 E N 0.349 120.504 120.200 -0.074 0.000 2.330 127 E HA 0.202 4.551 4.350 -0.000 0.000 0.200 127 E C -0.444 176.124 176.600 -0.053 0.000 0.922 127 E CA 0.214 56.580 56.400 -0.057 0.000 0.935 127 E CB 0.832 30.510 29.700 -0.037 0.000 0.917 127 E HN 0.520 nan 8.360 nan 0.000 0.491 128 R N -0.907 119.557 120.500 -0.060 0.000 2.644 128 R HA 0.625 4.964 4.340 -0.000 0.000 0.257 128 R C -1.693 174.561 176.300 -0.076 0.000 1.082 128 R CA -0.760 55.300 56.100 -0.067 0.000 0.927 128 R CB 0.957 31.216 30.300 -0.068 0.000 1.258 128 R HN -0.018 nan 8.270 nan 0.000 0.459 129 A N 2.365 125.136 122.820 -0.081 0.000 2.287 129 A HA 0.539 4.859 4.320 -0.000 0.000 0.317 129 A C -0.662 176.866 177.584 -0.094 0.000 1.220 129 A CA -0.650 51.335 52.037 -0.088 0.000 0.835 129 A CB 1.025 19.973 19.000 -0.086 0.000 1.180 129 A HN 0.753 nan 8.150 nan 0.000 0.500 130 E N 1.800 121.937 120.200 -0.105 0.000 2.235 130 E HA 0.655 5.005 4.350 -0.000 0.000 0.265 130 E C -0.760 175.761 176.600 -0.131 0.000 0.940 130 E CA -0.698 55.632 56.400 -0.117 0.000 0.819 130 E CB 1.883 31.506 29.700 -0.129 0.000 1.206 130 E HN 0.527 nan 8.360 nan 0.000 0.409 134 G N 3.270 111.905 108.800 -0.275 0.000 2.422 134 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.607 134 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.607 134 G C -3.021 171.708 174.900 -0.285 0.000 1.270 134 G CA -1.298 43.627 45.100 -0.291 0.000 0.992 134 G HN 0.334 nan 8.290 nan 0.000 0.499 135 P HA 0.314 nan 4.420 nan 0.000 0.265 135 P C 0.955 178.094 177.300 -0.269 0.000 1.193 135 P CA 0.802 63.715 63.100 -0.312 0.000 0.765 135 P CB 1.018 32.492 31.700 -0.375 0.000 0.823 136 V N -0.604 119.168 119.914 -0.237 0.000 3.398 136 V HA 0.107 4.227 4.120 -0.000 0.000 0.298 136 V C 1.276 177.310 176.094 -0.100 0.000 1.496 136 V CA 0.455 62.656 62.300 -0.164 0.000 1.044 136 V CB -0.193 31.499 31.823 -0.217 0.000 0.880 136 V HN 0.264 nan 8.190 nan 0.000 0.443 137 S N 0.819 116.429 115.700 -0.150 0.000 2.442 137 S HA -0.106 4.364 4.470 -0.000 0.000 0.236 137 S C 1.784 176.318 174.600 -0.110 0.000 1.007 137 S CA 1.603 59.745 58.200 -0.097 0.000 0.965 137 S CB 0.131 63.309 63.200 -0.037 0.000 0.773 137 S HN 0.519 nan 8.310 nan 0.000 0.504 138 V N 0.791 120.602 119.914 -0.171 0.000 2.982 138 V HA -0.004 4.116 4.120 -0.000 0.000 0.265 138 V C 1.098 177.056 176.094 -0.228 0.000 1.122 138 V CA 1.497 63.690 62.300 -0.179 0.000 1.143 138 V CB -0.284 31.428 31.823 -0.186 0.000 0.726 138 V HN 0.505 nan 8.190 nan 0.000 0.507 139 L N -3.220 117.782 121.223 -0.368 0.000 3.406 139 L HA 0.226 4.566 4.340 -0.000 0.000 0.309 139 L C 1.088 177.377 176.870 -0.968 0.000 1.159 139 L CA 0.103 54.469 54.840 -0.790 0.000 1.122 139 L CB 0.444 41.987 42.059 -0.860 0.000 1.633 139 L HN 0.242 nan 8.230 nan 0.000 0.607 140 Y N 0.001 120.115 120.300 -0.310 0.000 2.471 140 Y HA 0.558 5.108 4.550 -0.000 0.000 0.249 140 Y C 1.387 177.245 175.900 -0.070 0.000 1.116 140 Y CA 0.170 58.150 58.100 -0.201 0.000 1.240 140 Y CB 0.934 39.207 38.460 -0.312 0.000 1.251 140 Y HN 0.089 nan 8.280 nan 0.000 0.527 141 G N 1.575 110.407 108.800 0.052 0.000 2.587 141 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.212 141 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.212 141 G C -0.606 174.165 174.900 -0.214 0.000 1.327 141 G CA -0.638 44.512 45.100 0.085 0.000 0.898 141 G HN 0.356 nan 8.290 nan 0.000 0.551 142 K N -0.875 119.223 120.400 -0.503 0.000 2.550 142 K HA 0.446 4.766 4.320 -0.000 0.000 0.280 142 K C 0.097 176.382 176.600 -0.526 0.000 0.987 142 K CA 0.854 56.471 56.287 -1.117 0.000 1.048 142 K CB 0.782 32.865 32.500 -0.695 0.000 0.879 142 K HN 1.790 nan 8.250 nan 0.000 0.491 143 S N 1.772 117.152 115.700 -0.534 0.000 2.580 143 S HA 0.144 4.614 4.470 -0.000 0.000 0.281 143 S C -0.973 173.460 174.600 -0.278 0.000 1.129 143 S CA -0.632 57.390 58.200 -0.297 0.000 0.862 143 S CB 1.285 64.349 63.200 -0.227 0.000 1.090 143 S HN 0.837 nan 8.310 nan 0.000 0.451 144 S N 3.124 118.700 115.700 -0.207 0.000 2.566 144 S HA 0.376 4.846 4.470 -0.000 0.000 0.280 144 S C -2.276 172.178 174.600 -0.243 0.000 1.343 144 S CA -0.476 57.611 58.200 -0.187 0.000 1.036 144 S CB 0.098 63.221 63.200 -0.128 0.000 0.866 144 S HN 0.610 nan 8.310 nan 0.000 0.526 145 P HA 0.219 nan 4.420 nan 0.000 0.275 145 P C 0.377 177.462 177.300 -0.358 0.000 1.228 145 P CA 0.416 63.261 63.100 -0.424 0.000 0.786 145 P CB 0.115 31.399 31.700 -0.693 0.000 0.927 146 G N 1.119 109.723 108.800 -0.326 0.000 2.395 146 G HA2 0.035 3.995 3.960 -0.000 0.000 0.292 146 G HA3 0.035 3.995 3.960 -0.000 0.000 0.292 146 G C 0.379 175.160 174.900 -0.197 0.000 0.953 146 G CA 0.120 45.063 45.100 -0.261 0.000 1.207 146 G HN 0.959 nan 8.290 nan 0.000 0.503 147 G N -0.924 107.748 108.800 -0.214 0.000 2.139 147 G HA2 0.622 4.581 3.960 -0.000 0.000 0.315 147 G HA3 0.622 4.581 3.960 -0.000 0.000 0.315 147 G C -1.106 173.661 174.900 -0.222 0.000 1.599 147 G CA -0.078 44.907 45.100 -0.192 0.000 0.960 147 G HN 1.402 nan 8.290 nan 0.000 0.615 148 L N 2.489 123.566 121.223 -0.243 0.000 2.545 148 L HA 0.858 5.198 4.340 -0.000 0.000 0.258 148 L C -2.031 174.684 176.870 -0.258 0.000 0.942 148 L CA -1.143 53.517 54.840 -0.300 0.000 0.855 148 L CB 2.190 43.942 42.059 -0.512 0.000 1.374 148 L HN 0.683 nan 8.230 nan 0.000 0.411 149 L N 4.014 125.121 121.223 -0.194 0.000 2.362 149 L HA 0.698 5.038 4.340 -0.000 0.000 0.275 149 L C -1.152 175.642 176.870 -0.126 0.000 0.998 149 L CA 0.268 55.017 54.840 -0.152 0.000 0.820 149 L CB 1.737 43.729 42.059 -0.111 0.000 1.270 149 L HN 0.800 nan 8.230 nan 0.000 0.415 153 S N 3.235 118.894 115.700 -0.068 0.000 2.566 153 S HA 0.203 4.673 4.470 -0.000 0.000 0.280 153 S C 0.283 174.845 174.600 -0.065 0.000 1.343 153 S CA -0.115 58.028 58.200 -0.095 0.000 1.036 153 S CB 0.425 63.559 63.200 -0.109 0.000 0.866 153 S HN 0.619 nan 8.310 nan 0.000 0.526 154 K N 2.008 122.358 120.400 -0.082 0.000 2.326 154 K HA 0.216 4.535 4.320 -0.000 0.000 0.275 154 K C 0.107 176.680 176.600 -0.044 0.000 1.018 154 K CA -0.201 56.043 56.287 -0.071 0.000 0.962 154 K CB 0.396 32.829 32.500 -0.113 0.000 0.953 154 K HN 0.386 nan 8.250 nan 0.000 0.475 155 R N 2.194 122.678 120.500 -0.026 0.000 2.873 155 R HA 0.412 4.752 4.340 -0.000 0.000 0.264 155 R C -2.582 173.709 176.300 -0.015 0.000 1.026 155 R CA -2.669 53.424 56.100 -0.013 0.000 1.002 155 R CB 0.188 30.483 30.300 -0.008 0.000 1.174 155 R HN 0.411 nan 8.270 nan 0.000 0.488 156 P HA -0.040 nan 4.420 nan 0.000 0.265 156 P C -0.129 177.151 177.300 -0.033 0.000 1.187 156 P CA 0.559 63.641 63.100 -0.030 0.000 0.766 156 P CB 0.397 32.082 31.700 -0.024 0.000 0.820 157 T N -1.883 112.646 114.554 -0.043 0.000 2.918 157 T HA 0.257 4.606 4.350 -0.000 0.000 0.283 157 T C 1.404 176.091 174.700 -0.022 0.000 1.001 157 T CA -0.199 61.886 62.100 -0.025 0.000 1.041 157 T CB 0.555 69.413 68.868 -0.016 0.000 1.028 157 T HN 0.445 nan 8.240 nan 0.000 0.511 158 T N -1.244 113.303 114.554 -0.011 0.000 2.904 158 T HA 0.073 4.423 4.350 -0.000 0.000 0.267 158 T C 0.477 175.177 174.700 0.001 0.000 1.059 158 T CA 0.577 62.673 62.100 -0.007 0.000 1.137 158 T CB -0.322 68.543 68.868 -0.005 0.000 0.879 158 T HN 0.749 nan 8.240 nan 0.000 0.467 159 E N 1.566 121.770 120.200 0.006 0.000 2.235 159 E HA 0.447 4.797 4.350 -0.000 0.000 0.265 159 E C -2.874 173.738 176.600 0.019 0.000 0.940 159 E CA -2.980 53.430 56.400 0.017 0.000 0.819 159 E CB 1.458 31.171 29.700 0.023 0.000 1.206 159 E HN 0.123 nan 8.360 nan 0.000 0.409 160 P HA 0.071 nan 4.420 nan 0.000 0.269 160 P C -1.192 176.147 177.300 0.065 0.000 1.215 160 P CA -0.194 62.929 63.100 0.038 0.000 0.780 160 P CB 0.409 32.140 31.700 0.052 0.000 0.898 161 L N 2.161 123.438 121.223 0.090 0.000 2.476 161 L HA 0.452 4.792 4.340 -0.000 0.000 0.269 161 L C -1.152 175.889 176.870 0.285 0.000 0.965 161 L CA -0.150 54.783 54.840 0.155 0.000 0.845 161 L CB 1.572 43.702 42.059 0.118 0.000 1.259 161 L HN 0.162 nan 8.230 nan 0.000 0.403 162 K N 4.809 125.420 120.400 0.351 0.000 2.621 162 K HA 0.385 4.704 4.320 -0.000 0.000 0.233 162 K C -1.245 175.784 176.600 0.716 0.000 0.972 162 K CA -0.400 56.208 56.287 0.536 0.000 0.988 162 K CB 1.766 34.368 32.500 0.170 0.000 1.187 162 K HN 0.648 nan 8.250 nan 0.000 0.471 163 E N 2.704 123.376 120.200 0.788 0.000 2.199 163 E HA 0.422 4.772 4.350 -0.000 0.000 0.269 163 E C -1.308 175.587 176.600 0.492 0.000 0.899 163 E CA -0.874 55.849 56.400 0.539 0.000 0.772 163 E CB 1.729 31.605 29.700 0.293 0.000 1.155 163 E HN 0.125 nan 8.360 nan 0.000 0.408 164 V N 3.849 124.047 119.914 0.473 0.000 2.588 164 V HA 0.344 4.464 4.120 -0.000 0.000 0.304 164 V C -0.575 175.474 176.094 -0.073 0.000 1.042 164 V CA -0.763 61.695 62.300 0.263 0.000 0.877 164 V CB 1.690 33.813 31.823 0.500 0.000 0.996 164 V HN 0.730 nan 8.190 nan 0.000 0.425 165 Q N 2.757 122.338 119.800 -0.365 0.000 2.365 165 Q HA 0.742 5.082 4.340 -0.000 0.000 0.269 165 Q C -2.140 173.424 176.000 -0.727 0.000 1.061 165 Q CA -0.542 54.983 55.803 -0.464 0.000 0.816 165 Q CB 2.204 30.726 28.738 -0.361 0.000 1.325 165 Q HN 0.615 nan 8.270 nan 0.000 0.446 166 F N 1.678 121.575 119.950 -0.089 0.000 2.539 166 F HA 0.520 5.047 4.527 -0.000 0.000 0.318 166 F C -0.374 175.403 175.800 -0.037 0.000 1.135 166 F CA -0.688 57.304 58.000 -0.014 0.000 0.915 166 F CB 1.980 41.006 39.000 0.044 0.000 1.176 166 F HN 0.309 nan 8.300 nan 0.000 0.440 167 K N 2.016 122.513 120.400 0.163 0.000 2.328 167 K HA 0.968 5.287 4.320 -0.000 0.000 0.246 167 K C -1.251 175.394 176.600 0.075 0.000 0.955 167 K CA -1.240 55.085 56.287 0.064 0.000 0.817 167 K CB 2.688 35.174 32.500 -0.024 0.000 1.208 167 K HN 0.666 nan 8.250 nan 0.000 0.432 168 A N 1.005 123.812 122.820 -0.022 0.000 2.491 168 A HA 0.756 5.075 4.320 -0.000 0.000 0.293 168 A C -0.830 176.633 177.584 -0.202 0.000 1.047 168 A CA -0.368 51.564 52.037 -0.173 0.000 0.735 168 A CB 1.729 20.709 19.000 -0.035 0.000 1.281 168 A HN 0.795 nan 8.150 nan 0.000 0.398 169 G N -0.144 108.457 108.800 -0.332 0.000 2.815 169 G HA2 0.653 4.613 3.960 -0.000 0.000 0.305 169 G HA3 0.653 4.613 3.960 -0.000 0.000 0.305 169 G C -0.302 174.470 174.900 -0.213 0.000 1.277 169 G CA 0.059 45.035 45.100 -0.206 0.000 0.795 169 G HN 0.831 nan 8.290 nan 0.000 0.528 170 T N 1.146 115.621 114.554 -0.132 0.000 2.802 170 T HA 0.294 4.644 4.350 -0.000 0.000 0.305 170 T C -0.047 174.585 174.700 -0.113 0.000 1.053 170 T CA 0.867 62.904 62.100 -0.105 0.000 1.058 170 T CB 0.207 69.033 68.868 -0.070 0.000 0.988 170 T HN 0.594 nan 8.240 nan 0.000 0.539 171 D N 0.515 120.864 120.400 -0.084 0.000 2.701 171 D HA -0.173 4.467 4.640 -0.000 0.000 0.235 171 D C 0.145 176.403 176.300 -0.069 0.000 1.155 171 D CA 0.987 54.948 54.000 -0.064 0.000 0.649 171 D CB -1.528 39.239 40.800 -0.055 0.000 1.050 171 D HN 0.722 nan 8.370 nan 0.000 0.425 172 S N -1.720 113.920 115.700 -0.100 0.000 3.631 172 S HA -0.256 4.214 4.470 -0.000 0.000 0.366 172 S C 0.265 174.716 174.600 -0.248 0.000 0.993 172 S CA 0.411 58.544 58.200 -0.112 0.000 1.167 172 S CB -0.882 62.385 63.200 0.111 0.000 0.909 172 S HN 0.509 nan 8.310 nan 0.000 0.478 173 L N 1.955 122.942 121.223 -0.393 0.000 2.369 173 L HA 0.677 5.016 4.340 -0.000 0.000 0.279 173 L C -0.643 175.888 176.870 -0.565 0.000 1.108 173 L CA 0.403 55.052 54.840 -0.318 0.000 0.852 173 L CB -0.282 41.650 42.059 -0.211 0.000 1.169 173 L HN 0.148 nan 8.230 nan 0.000 0.452 174 F N 4.468 124.429 119.950 0.018 0.000 2.536 174 F HA 0.546 5.073 4.527 -0.000 0.000 0.322 174 F C -0.027 175.799 175.800 0.044 0.000 1.144 174 F CA -0.429 57.597 58.000 0.044 0.000 0.924 174 F CB 1.617 40.651 39.000 0.056 0.000 1.181 174 F HN 0.513 nan 8.300 nan 0.000 0.438 175 Q N 1.858 121.781 119.800 0.206 0.000 2.315 175 Q HA 0.604 4.944 4.340 -0.000 0.000 0.273 175 Q C -1.525 174.553 176.000 0.130 0.000 1.053 175 Q CA -0.581 55.293 55.803 0.118 0.000 0.817 175 Q CB 2.658 31.393 28.738 -0.004 0.000 1.326 175 Q HN 0.660 nan 8.270 nan 0.000 0.423 176 T N 1.627 116.245 114.554 0.106 0.000 2.928 176 T HA 0.838 5.188 4.350 -0.000 0.000 0.296 176 T C -1.054 173.645 174.700 -0.002 0.000 1.000 176 T CA -0.069 62.062 62.100 0.052 0.000 0.989 176 T CB 1.170 70.178 68.868 0.234 0.000 1.005 176 T HN 0.733 nan 8.240 nan 0.000 0.442 177 G N 3.285 112.012 108.800 -0.121 0.000 2.692 177 G HA2 0.736 4.695 3.960 -0.000 0.000 0.291 177 G HA3 0.736 4.695 3.960 -0.000 0.000 0.291 177 G C -1.525 173.405 174.900 0.051 0.000 1.423 177 G CA -0.872 44.218 45.100 -0.017 0.000 0.843 177 G HN 0.784 nan 8.290 nan 0.000 0.486 178 F N -0.842 119.086 119.950 -0.036 0.000 2.631 178 F HA 0.886 5.412 4.527 -0.000 0.000 0.328 178 F C -1.225 174.369 175.800 -0.344 0.000 1.067 178 F CA -1.737 56.087 58.000 -0.294 0.000 0.969 178 F CB 2.678 41.288 39.000 -0.651 0.000 1.332 178 F HN 0.375 nan 8.300 nan 0.000 0.490 179 D N 1.332 121.443 120.400 -0.482 0.000 2.319 179 D HA 0.320 4.960 4.640 -0.000 0.000 0.237 179 D C -1.977 174.255 176.300 -0.114 0.000 1.353 179 D CA -0.113 53.661 54.000 -0.375 0.000 0.992 179 D CB 0.606 41.217 40.800 -0.315 0.000 1.368 179 D HN 0.347 nan 8.370 nan 0.000 0.564 180 F N 1.001 121.095 119.950 0.239 0.000 2.480 180 F HA 0.716 5.243 4.527 -0.000 0.000 0.329 180 F C 0.553 176.373 175.800 0.033 0.000 1.091 180 F CA -1.263 56.854 58.000 0.194 0.000 0.972 180 F CB 2.272 41.458 39.000 0.311 0.000 1.150 180 F HN 0.068 nan 8.300 nan 0.000 0.467 181 S N 1.756 117.510 115.700 0.090 0.000 2.649 181 S HA 0.555 5.025 4.470 -0.000 0.000 0.274 181 S C -1.863 172.550 174.600 -0.311 0.000 1.176 181 S CA -0.417 57.621 58.200 -0.269 0.000 0.988 181 S CB 1.011 64.141 63.200 -0.118 0.000 1.071 181 S HN 0.680 nan 8.310 nan 0.000 0.478 182 D N 1.103 121.106 120.400 -0.661 0.000 2.626 182 D HA 0.587 5.226 4.640 -0.000 0.000 0.278 182 D C -0.973 175.285 176.300 -0.070 0.000 1.211 182 D CA -0.201 53.672 54.000 -0.211 0.000 0.903 182 D CB 2.498 43.325 40.800 0.045 0.000 1.408 182 D HN 0.434 nan 8.370 nan 0.000 0.454 183 S N 0.221 115.982 115.700 0.102 0.000 2.608 183 S HA 0.419 4.889 4.470 -0.000 0.000 0.291 183 S C 1.322 176.080 174.600 0.263 0.000 1.146 183 S CA -0.569 57.739 58.200 0.180 0.000 1.043 183 S CB 1.378 64.649 63.200 0.119 0.000 1.037 183 S HN 0.343 nan 8.310 nan 0.000 0.520 184 L N 0.951 122.362 121.223 0.314 0.000 2.202 184 L HA 0.148 4.488 4.340 -0.000 0.000 0.205 184 L C 0.796 177.797 176.870 0.219 0.000 1.083 184 L CA 0.619 55.623 54.840 0.274 0.000 0.790 184 L CB -0.089 42.147 42.059 0.293 0.000 0.942 184 L HN 0.669 nan 8.230 nan 0.000 0.452 185 D N -1.725 118.825 120.400 0.250 0.000 2.299 185 D HA 0.063 4.702 4.640 -0.000 0.000 0.243 185 D C -0.337 176.047 176.300 0.140 0.000 0.982 185 D CA -0.491 53.630 54.000 0.202 0.000 0.924 185 D CB 1.536 42.498 40.800 0.270 0.000 1.238 185 D HN -0.116 nan 8.370 nan 0.000 0.484 186 D N 0.115 120.578 120.400 0.105 0.000 2.378 186 D HA -0.075 4.565 4.640 -0.000 0.000 0.222 186 D C 0.500 176.835 176.300 0.059 0.000 0.980 186 D CA 0.657 54.702 54.000 0.075 0.000 0.907 186 D CB 0.302 41.139 40.800 0.061 0.000 0.899 186 D HN 0.430 nan 8.370 nan 0.000 0.527 187 D N -0.454 119.983 120.400 0.062 0.000 2.366 187 D HA 0.076 4.716 4.640 -0.000 0.000 0.205 187 D C 1.506 177.814 176.300 0.013 0.000 1.022 187 D CA 0.559 54.577 54.000 0.030 0.000 0.868 187 D CB 1.075 41.888 40.800 0.022 0.000 0.953 187 D HN 0.236 nan 8.370 nan 0.000 0.514 188 G N 1.549 110.371 108.800 0.037 0.000 2.132 188 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.234 188 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.234 188 G C 1.024 175.903 174.900 -0.036 0.000 0.989 188 G CA 0.467 45.578 45.100 0.018 0.000 0.676 188 G HN 0.347 nan 8.290 nan 0.000 0.522 189 V N -0.964 118.899 119.914 -0.084 0.000 2.871 189 V HA 0.342 4.461 4.120 -0.000 0.000 0.256 189 V C 0.559 176.462 176.094 -0.318 0.000 1.082 189 V CA 1.193 63.335 62.300 -0.264 0.000 1.105 189 V CB -0.247 31.348 31.823 -0.379 0.000 0.713 189 V HN 0.431 nan 8.190 nan 0.000 0.473 190 Y N 0.699 121.086 120.300 0.146 0.000 2.332 190 Y HA 0.656 5.206 4.550 -0.000 0.000 0.326 190 Y C 0.166 176.119 175.900 0.088 0.000 0.978 190 Y CA -0.612 57.560 58.100 0.120 0.000 1.205 190 Y CB 1.668 40.282 38.460 0.257 0.000 1.131 190 Y HN 0.173 nan 8.280 nan 0.000 0.462 191 S N 2.341 118.090 115.700 0.081 0.000 2.627 191 S HA 0.883 5.353 4.470 -0.000 0.000 0.283 191 S C -1.353 173.354 174.600 0.178 0.000 1.127 191 S CA -0.820 57.457 58.200 0.129 0.000 0.863 191 S CB 2.230 65.443 63.200 0.021 0.000 1.121 191 S HN 0.582 nan 8.310 nan 0.000 0.479 192 Y N -0.706 119.708 120.300 0.191 0.000 2.677 192 Y HA 0.867 5.417 4.550 -0.000 0.000 0.334 192 Y C -0.784 175.248 175.900 0.220 0.000 1.154 192 Y CA -1.317 56.955 58.100 0.286 0.000 1.070 192 Y CB 1.302 40.007 38.460 0.408 0.000 1.294 192 Y HN 1.026 nan 8.280 nan 0.000 0.475 193 R N 1.774 122.443 120.500 0.282 0.000 2.522 193 R HA 0.601 4.941 4.340 -0.000 0.000 0.273 193 R C -2.765 173.729 176.300 0.323 0.000 1.133 193 R CA -0.723 55.466 56.100 0.148 0.000 0.969 193 R CB 1.711 32.036 30.300 0.042 0.000 1.235 193 R HN 0.879 nan 8.270 nan 0.000 0.433 194 L N 3.322 124.762 121.223 0.362 0.000 2.342 194 L HA 0.559 4.899 4.340 -0.000 0.000 0.276 194 L C -1.321 175.575 176.870 0.043 0.000 0.997 194 L CA 0.109 55.148 54.840 0.332 0.000 0.838 194 L CB 2.228 44.635 42.059 0.579 0.000 1.224 194 L HN 0.658 nan 8.230 nan 0.000 0.416 195 T N 3.813 118.261 114.554 -0.176 0.000 2.786 195 T HA 0.847 5.197 4.350 -0.000 0.000 0.283 195 T C -0.000 174.325 174.700 -0.624 0.000 0.992 195 T CA -0.451 61.343 62.100 -0.511 0.000 0.954 195 T CB 1.419 70.038 68.868 -0.415 0.000 0.934 195 T HN 0.787 nan 8.240 nan 0.000 0.440 196 G N 1.948 110.047 108.800 -1.168 0.000 2.694 196 G HA2 0.826 4.786 3.960 -0.000 0.000 0.290 196 G HA3 0.826 4.786 3.960 -0.000 0.000 0.290 196 G C -1.786 172.904 174.900 -0.350 0.000 1.386 196 G CA -0.937 43.724 45.100 -0.731 0.000 0.872 196 G HN 0.873 nan 8.290 nan 0.000 0.475 197 L N -2.981 118.212 121.223 -0.050 0.000 2.866 197 L HA 0.930 5.270 4.340 -0.000 0.000 0.262 197 L C -0.809 176.142 176.870 0.135 0.000 0.986 197 L CA -1.379 53.490 54.840 0.049 0.000 0.925 197 L CB 1.385 43.465 42.059 0.034 0.000 1.484 197 L HN 1.464 nan 8.230 nan 0.000 0.414 198 A N 1.517 124.431 122.820 0.157 0.000 2.375 198 A HA 0.920 5.240 4.320 -0.000 0.000 0.295 198 A C -0.992 176.667 177.584 0.125 0.000 1.066 198 A CA -0.567 51.628 52.037 0.263 0.000 0.722 198 A CB 1.493 20.721 19.000 0.380 0.000 1.206 198 A HN 0.932 nan 8.150 nan 0.000 0.435 199 R N 1.659 122.161 120.500 0.003 0.000 2.628 199 R HA 0.751 5.091 4.340 -0.000 0.000 0.288 199 R C -1.533 174.728 176.300 -0.065 0.000 0.980 199 R CA -0.097 55.992 56.100 -0.019 0.000 0.891 199 R CB 1.978 32.243 30.300 -0.059 0.000 1.188 199 R HN 0.744 nan 8.270 nan 0.000 0.450 200 S N 1.968 117.684 115.700 0.027 0.000 2.548 200 S HA 0.877 5.347 4.470 -0.000 0.000 0.276 200 S C -1.853 172.782 174.600 0.059 0.000 1.129 200 S CA -0.079 58.142 58.200 0.035 0.000 0.931 200 S CB 1.748 65.015 63.200 0.113 0.000 1.068 200 S HN 0.899 nan 8.310 nan 0.000 0.480 201 A N 3.605 126.438 122.820 0.022 0.000 2.586 201 A HA 0.597 4.917 4.320 -0.000 0.000 0.291 201 A C -1.479 176.107 177.584 0.003 0.000 1.062 201 A CA -0.955 51.086 52.037 0.008 0.000 0.666 201 A CB 0.882 19.861 19.000 -0.035 0.000 1.281 201 A HN 0.806 nan 8.150 nan 0.000 0.421 202 N N 0.449 119.148 118.700 -0.001 0.000 2.479 202 N HA 0.539 5.279 4.740 -0.000 0.000 0.285 202 N C 0.269 175.771 175.510 -0.013 0.000 1.075 202 N CA -0.140 52.910 53.050 -0.000 0.000 0.967 202 N CB 1.669 40.157 38.487 0.002 0.000 1.137 202 N HN 0.947 nan 8.380 nan 0.000 0.472 203 A N 1.447 124.264 122.820 -0.005 0.000 2.366 203 A HA -0.021 4.299 4.320 -0.000 0.000 0.250 203 A C 1.333 178.904 177.584 -0.022 0.000 1.099 203 A CA -0.081 51.954 52.037 -0.003 0.000 0.794 203 A CB 0.400 19.418 19.000 0.031 0.000 1.056 203 A HN 0.879 nan 8.150 nan 0.000 0.499 204 Q N -0.254 119.529 119.800 -0.030 0.000 2.096 204 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 204 Q C 0.201 176.152 176.000 -0.081 0.000 0.982 204 Q CA 1.429 57.199 55.803 -0.055 0.000 0.850 204 Q CB -0.147 28.555 28.738 -0.059 0.000 0.901 204 Q HN 0.784 nan 8.270 nan 0.000 0.422 205 Q N 2.004 121.730 119.800 -0.124 0.000 2.296 205 Q HA 0.158 4.498 4.340 -0.000 0.000 0.262 205 Q C -0.723 175.223 176.000 -0.091 0.000 0.981 205 Q CA 0.043 55.739 55.803 -0.179 0.000 0.905 205 Q CB 0.741 29.234 28.738 -0.408 0.000 1.186 205 Q HN 0.088 nan 8.270 nan 0.000 0.399 206 K N 0.805 121.160 120.400 -0.075 0.000 2.524 206 K HA 0.043 4.362 4.320 -0.000 0.000 0.279 206 K C 0.966 177.550 176.600 -0.026 0.000 0.993 206 K CA 1.239 57.502 56.287 -0.040 0.000 1.030 206 K CB 0.128 32.606 32.500 -0.035 0.000 0.891 206 K HN 1.007 nan 8.250 nan 0.000 0.488 207 G N 1.861 110.661 108.800 -0.001 0.000 2.284 207 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.230 207 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.230 207 G C 0.019 174.940 174.900 0.035 0.000 1.021 207 G CA 0.009 45.121 45.100 0.019 0.000 0.619 207 G HN 0.533 nan 8.290 nan 0.000 0.510 208 S N 1.421 117.145 115.700 0.039 0.000 2.508 208 S HA 0.622 5.092 4.470 -0.000 0.000 0.284 208 S C -0.082 174.538 174.600 0.033 0.000 1.192 208 S CA -0.392 57.842 58.200 0.058 0.000 1.070 208 S CB 1.788 65.056 63.200 0.112 0.000 1.004 208 S HN 0.516 nan 8.310 nan 0.000 0.493 209 E N 1.417 121.632 120.200 0.025 0.000 2.249 209 E HA 0.471 4.821 4.350 -0.000 0.000 0.263 209 E C -0.922 175.667 176.600 -0.017 0.000 0.950 209 E CA -0.783 55.621 56.400 0.007 0.000 0.827 209 E CB 1.504 31.210 29.700 0.011 0.000 1.220 209 E HN 0.519 nan 8.360 nan 0.000 0.411 210 E N 1.131 121.310 120.200 -0.034 0.000 2.224 210 E HA 0.267 4.617 4.350 -0.000 0.000 0.265 210 E C -1.319 175.226 176.600 -0.093 0.000 0.878 210 E CA -0.436 55.922 56.400 -0.070 0.000 0.759 210 E CB 1.829 31.488 29.700 -0.068 0.000 1.164 210 E HN 0.246 nan 8.360 nan 0.000 0.414 211 Q N 2.226 121.942 119.800 -0.141 0.000 2.331 211 Q HA 0.541 4.880 4.340 -0.000 0.000 0.272 211 Q C -1.097 174.702 176.000 -0.336 0.000 1.062 211 Q CA -0.759 54.898 55.803 -0.242 0.000 0.806 211 Q CB 3.239 31.847 28.738 -0.216 0.000 1.312 211 Q HN 0.280 nan 8.270 nan 0.000 0.431 212 R N 1.995 122.201 120.500 -0.490 0.000 2.548 212 R HA 0.500 4.840 4.340 -0.000 0.000 0.280 212 R C -1.981 174.005 176.300 -0.522 0.000 1.061 212 R CA -0.457 55.396 56.100 -0.411 0.000 0.915 212 R CB 1.334 31.521 30.300 -0.189 0.000 1.210 212 R HN 0.584 nan 8.270 nan 0.000 0.442 213 Y N 1.664 121.959 120.300 -0.007 0.000 2.346 213 Y HA 0.751 5.301 4.550 -0.000 0.000 0.332 213 Y C -0.244 175.628 175.900 -0.046 0.000 0.985 213 Y CA -0.657 57.439 58.100 -0.006 0.000 1.112 213 Y CB 2.426 40.891 38.460 0.007 0.000 1.170 213 Y HN 0.763 nan 8.280 nan 0.000 0.447 214 A N 3.405 126.273 122.820 0.080 0.000 2.587 214 A HA 0.903 5.223 4.320 -0.000 0.000 0.293 214 A C -1.868 175.670 177.584 -0.077 0.000 1.087 214 A CA -0.783 51.197 52.037 -0.096 0.000 0.692 214 A CB 1.966 20.846 19.000 -0.200 0.000 1.291 214 A HN 0.773 nan 8.150 nan 0.000 0.407 215 I N 0.171 120.654 120.570 -0.145 0.000 2.710 215 I HA 0.632 4.802 4.170 -0.000 0.000 0.290 215 I C -0.860 175.243 176.117 -0.025 0.000 1.318 215 I CA -0.513 60.760 61.300 -0.045 0.000 1.045 215 I CB 1.933 39.994 38.000 0.102 0.000 1.307 215 I HN 1.004 nan 8.210 nan 0.000 0.424 216 A N 8.223 131.050 122.820 0.012 0.000 2.431 216 A HA 0.767 5.087 4.320 -0.000 0.000 0.318 216 A C -2.844 174.801 177.584 0.101 0.000 1.330 216 A CA -1.498 50.583 52.037 0.074 0.000 0.804 216 A CB 0.349 19.417 19.000 0.114 0.000 1.135 216 A HN 0.362 nan 8.150 nan 0.000 0.483 217 P HA 0.490 nan 4.420 nan 0.000 0.281 217 P C -0.424 176.998 177.300 0.203 0.000 1.252 217 P CA 0.119 63.376 63.100 0.262 0.000 0.778 217 P CB 1.633 33.557 31.700 0.374 0.000 0.895 218 A N 3.486 126.485 122.820 0.297 0.000 2.449 218 A HA 0.781 5.101 4.320 -0.000 0.000 0.302 218 A C -1.785 176.113 177.584 0.522 0.000 1.048 218 A CA -0.489 51.720 52.037 0.287 0.000 0.708 218 A CB 0.961 20.046 19.000 0.142 0.000 1.274 218 A HN 0.437 nan 8.150 nan 0.000 0.410 219 F N 1.283 121.477 119.950 0.407 0.000 2.573 219 F HA 0.666 5.192 4.527 -0.000 0.000 0.316 219 F C -0.449 175.581 175.800 0.382 0.000 1.148 219 F CA 0.042 58.295 58.000 0.422 0.000 0.940 219 F CB 2.297 41.569 39.000 0.453 0.000 1.214 219 F HN 0.482 nan 8.300 nan 0.000 0.448 220 T N 5.161 119.515 114.554 -0.333 0.000 2.829 220 T HA 0.293 4.642 4.350 -0.000 0.000 0.280 220 T C -2.081 172.465 174.700 -0.256 0.000 0.999 220 T CA -0.244 61.751 62.100 -0.176 0.000 0.983 220 T CB 1.013 69.840 68.868 -0.069 0.000 0.968 220 T HN 0.544 nan 8.240 nan 0.000 0.446 221 W N 4.603 125.811 121.300 -0.154 0.000 2.499 221 W HA 0.516 5.176 4.660 -0.000 0.000 0.320 221 W C -0.858 175.630 176.519 -0.051 0.000 1.010 221 W CA -1.361 55.931 57.345 -0.088 0.000 1.267 221 W CB 0.737 30.296 29.460 0.164 0.000 1.316 221 W HN 0.475 nan 8.180 nan 0.000 0.431 222 R N 7.110 127.435 120.500 -0.293 0.000 2.396 222 R HA 0.207 4.547 4.340 -0.000 0.000 0.292 222 R C -1.911 174.069 176.300 -0.534 0.000 1.240 222 R CA -1.510 54.349 56.100 -0.403 0.000 1.270 222 R CB 1.323 31.484 30.300 -0.232 0.000 1.108 222 R HN 0.220 nan 8.270 nan 0.000 0.573 223 P HA -0.195 nan 4.420 nan 0.000 0.219 223 P C -0.542 176.567 177.300 -0.318 0.000 1.146 223 P CA 1.484 64.239 63.100 -0.576 0.000 0.808 223 P CB 0.259 31.541 31.700 -0.698 0.000 0.779 224 D N -3.774 116.431 120.400 -0.325 0.000 2.851 224 D HA 0.090 4.730 4.640 -0.000 0.000 0.339 224 D C -0.782 175.384 176.300 -0.223 0.000 1.347 224 D CA -0.707 53.159 54.000 -0.223 0.000 0.888 224 D CB -0.506 40.175 40.800 -0.198 0.000 1.431 224 D HN -0.224 nan 8.370 nan 0.000 0.509 225 D N -1.440 118.858 120.400 -0.170 0.000 2.325 225 D HA 0.128 4.768 4.640 -0.000 0.000 0.234 225 D C 0.384 176.577 176.300 -0.179 0.000 1.122 225 D CA 0.027 53.935 54.000 -0.152 0.000 0.850 225 D CB 0.055 40.794 40.800 -0.101 0.000 0.921 225 D HN 0.377 nan 8.370 nan 0.000 0.513 226 K N -1.071 119.174 120.400 -0.257 0.000 2.517 226 K HA 0.162 4.482 4.320 -0.000 0.000 0.210 226 K C -0.387 175.902 176.600 -0.519 0.000 1.166 226 K CA -0.121 55.976 56.287 -0.317 0.000 1.030 226 K CB 1.432 33.767 32.500 -0.274 0.000 0.974 226 K HN -0.040 nan 8.250 nan 0.000 0.585 227 T N 1.244 115.506 114.554 -0.487 0.000 2.881 227 T HA 0.289 4.639 4.350 -0.000 0.000 0.290 227 T C -1.388 173.086 174.700 -0.377 0.000 1.000 227 T CA -0.741 61.050 62.100 -0.514 0.000 0.978 227 T CB 1.497 70.049 68.868 -0.526 0.000 0.997 227 T HN -0.040 nan 8.240 nan 0.000 0.443 228 N N 2.477 120.975 118.700 -0.337 0.000 2.533 228 N HA 0.311 5.051 4.740 -0.000 0.000 0.289 228 N C -2.025 173.525 175.510 0.067 0.000 1.103 228 N CA -0.530 52.412 53.050 -0.179 0.000 0.877 228 N CB 1.254 39.604 38.487 -0.229 0.000 1.419 228 N HN 0.565 nan 8.380 nan 0.000 0.517 229 F N 2.896 122.957 119.950 0.184 0.000 2.375 229 F HA 0.481 5.008 4.527 -0.000 0.000 0.361 229 F C -0.587 175.398 175.800 0.310 0.000 1.117 229 F CA -0.181 58.081 58.000 0.436 0.000 1.037 229 F CB 1.194 40.508 39.000 0.525 0.000 1.192 229 F HN 0.166 nan 8.300 nan 0.000 0.452 230 T N 7.621 122.026 114.554 -0.248 0.000 2.791 230 T HA 0.249 4.598 4.350 -0.000 0.000 0.288 230 T C -0.967 173.669 174.700 -0.106 0.000 0.999 230 T CA -0.280 61.762 62.100 -0.097 0.000 0.952 230 T CB 0.311 69.142 68.868 -0.062 0.000 0.938 230 T HN 0.417 nan 8.240 nan 0.000 0.444 231 F N 5.171 125.120 119.950 -0.002 0.000 2.472 231 F HA 0.536 5.063 4.527 -0.000 0.000 0.364 231 F C -0.892 174.993 175.800 0.142 0.000 1.090 231 F CA -1.212 56.877 58.000 0.148 0.000 1.188 231 F CB 0.162 39.399 39.000 0.394 0.000 1.105 231 F HN 0.386 nan 8.300 nan 0.000 0.536 232 L N 6.850 127.810 121.223 -0.439 0.000 2.372 232 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 232 L C -0.545 175.954 176.870 -0.619 0.000 0.988 232 L CA -0.570 54.011 54.840 -0.432 0.000 0.833 232 L CB 1.624 43.553 42.059 -0.216 0.000 1.236 232 L HN 0.722 nan 8.230 nan 0.000 0.410 233 S N 1.838 117.195 115.700 -0.573 0.000 2.599 233 S HA 0.765 5.235 4.470 -0.000 0.000 0.294 233 S C -1.356 173.060 174.600 -0.306 0.000 1.094 233 S CA -0.778 57.118 58.200 -0.506 0.000 0.931 233 S CB 2.498 65.413 63.200 -0.475 0.000 1.093 233 S HN 0.462 nan 8.310 nan 0.000 0.488 234 Y N 0.756 120.649 120.300 -0.678 0.000 2.358 234 Y HA 0.644 5.194 4.550 -0.000 0.000 0.324 234 Y C -2.406 173.084 175.900 -0.682 0.000 1.123 234 Y CA -1.333 56.476 58.100 -0.484 0.000 1.067 234 Y CB 1.241 39.522 38.460 -0.298 0.000 1.230 234 Y HN 0.768 nan 8.280 nan 0.000 0.429 235 F N 4.837 124.576 119.950 -0.352 0.000 2.518 235 F HA 0.569 5.096 4.527 -0.000 0.000 0.323 235 F C -0.474 175.068 175.800 -0.431 0.000 1.129 235 F CA -0.625 57.225 58.000 -0.251 0.000 0.920 235 F CB 2.209 41.153 39.000 -0.095 0.000 1.160 235 F HN 0.464 nan 8.300 nan 0.000 0.440 236 Q N 2.920 122.634 119.800 -0.144 0.000 2.315 236 Q HA 0.440 4.780 4.340 -0.000 0.000 0.273 236 Q C -1.983 174.022 176.000 0.009 0.000 1.053 236 Q CA -0.845 54.872 55.803 -0.142 0.000 0.817 236 Q CB 2.463 31.055 28.738 -0.242 0.000 1.326 236 Q HN 0.702 nan 8.270 nan 0.000 0.423 237 N N 2.321 121.051 118.700 0.050 0.000 2.399 237 N HA 0.270 5.010 4.740 -0.000 0.000 0.284 237 N C -1.827 173.708 175.510 0.042 0.000 1.025 237 N CA -0.281 52.817 53.050 0.079 0.000 0.885 237 N CB 1.736 40.305 38.487 0.136 0.000 1.339 237 N HN 0.557 nan 8.380 nan 0.000 0.487 238 E N 4.178 124.379 120.200 0.003 0.000 2.255 238 E HA 0.250 4.599 4.350 -0.000 0.000 0.245 238 E C -1.964 174.619 176.600 -0.028 0.000 0.909 238 E CA -1.859 54.506 56.400 -0.058 0.000 0.747 238 E CB 1.876 31.528 29.700 -0.080 0.000 1.215 238 E HN 0.518 nan 8.360 nan 0.000 0.424 239 P HA -0.162 nan 4.420 nan 0.000 0.215 239 P C -0.233 177.063 177.300 -0.006 0.000 1.157 239 P CA 1.310 64.416 63.100 0.011 0.000 0.868 239 P CB 0.390 32.113 31.700 0.038 0.000 0.788 240 E N -1.892 118.287 120.200 -0.035 0.000 2.246 240 E HA 0.181 4.531 4.350 -0.000 0.000 0.266 240 E C 0.337 176.889 176.600 -0.079 0.000 0.880 240 E CA -0.016 56.366 56.400 -0.030 0.000 0.762 240 E CB 1.410 31.101 29.700 -0.015 0.000 1.180 240 E HN 0.043 nan 8.360 nan 0.000 0.416 241 T N -0.767 113.721 114.554 -0.111 0.000 3.060 241 T HA 0.377 4.727 4.350 -0.000 0.000 0.249 241 T C 0.962 175.526 174.700 -0.228 0.000 1.079 241 T CA 0.451 62.412 62.100 -0.232 0.000 1.013 241 T CB 0.258 68.870 68.868 -0.428 0.000 0.975 241 T HN 0.734 nan 8.240 nan 0.000 0.518 242 G N 1.054 109.777 108.800 -0.128 0.000 2.587 242 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.212 242 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.212 242 G C -0.696 174.206 174.900 0.003 0.000 1.327 242 G CA -0.507 44.568 45.100 -0.043 0.000 0.898 242 G HN 0.571 nan 8.290 nan 0.000 0.551 243 Y N 0.110 120.399 120.300 -0.019 0.000 2.597 243 Y HA 0.448 4.998 4.550 -0.000 0.000 0.336 243 Y C 0.664 176.645 175.900 0.135 0.000 1.216 243 Y CA 1.180 59.314 58.100 0.056 0.000 1.463 243 Y CB 0.486 38.983 38.460 0.062 0.000 1.303 243 Y HN 0.879 nan 8.280 nan 0.000 0.576 244 Y N 4.051 123.854 120.300 -0.829 0.000 2.979 244 Y HA 0.353 4.903 4.550 -0.000 0.000 0.251 244 Y C 0.150 175.775 175.900 -0.458 0.000 1.092 244 Y CA -0.290 57.490 58.100 -0.533 0.000 1.206 244 Y CB 0.036 38.314 38.460 -0.303 0.000 1.254 244 Y HN 0.717 nan 8.280 nan 0.000 0.625 245 G N -0.107 108.053 108.800 -1.067 0.000 2.531 245 G HA2 0.402 4.362 3.960 -0.000 0.000 0.313 245 G HA3 0.402 4.362 3.960 -0.000 0.000 0.313 245 G C -1.166 173.963 174.900 0.381 0.000 1.238 245 G CA -0.386 44.543 45.100 -0.285 0.000 0.994 245 G HN 0.134 nan 8.290 nan 0.000 0.493 246 W N -0.586 120.869 121.300 0.258 0.000 2.570 246 W HA 0.710 5.370 4.660 -0.000 0.000 0.337 246 W C -0.430 176.151 176.519 0.102 0.000 1.067 246 W CA -1.087 56.349 57.345 0.152 0.000 1.229 246 W CB 1.072 30.661 29.460 0.214 0.000 1.355 246 W HN 0.122 nan 8.180 nan 0.000 0.555 247 L N 4.367 125.669 121.223 0.131 0.000 2.381 247 L HA 0.433 4.773 4.340 -0.000 0.000 0.268 247 L C -2.035 174.776 176.870 -0.098 0.000 0.997 247 L CA -2.175 52.706 54.840 0.069 0.000 0.818 247 L CB 2.833 44.897 42.059 0.008 0.000 1.310 247 L HN 0.017 nan 8.230 nan 0.000 0.416 248 P HA 0.046 nan 4.420 nan 0.000 0.272 248 P C -0.214 176.943 177.300 -0.239 0.000 1.223 248 P CA -0.415 62.609 63.100 -0.128 0.000 0.784 248 P CB 0.767 32.437 31.700 -0.051 0.000 0.923 249 K N 1.294 121.498 120.400 -0.327 0.000 2.280 249 K HA -0.111 4.208 4.320 -0.000 0.000 0.202 249 K C -0.086 176.339 176.600 -0.291 0.000 1.047 249 K CA 1.160 57.224 56.287 -0.372 0.000 0.942 249 K CB -0.298 31.766 32.500 -0.727 0.000 0.739 249 K HN 0.323 nan 8.250 nan 0.000 0.457 250 E N 0.783 120.841 120.200 -0.238 0.000 1.932 250 E HA 0.232 4.582 4.350 -0.000 0.000 0.275 250 E C 0.321 176.856 176.600 -0.109 0.000 1.159 250 E CA 0.520 56.829 56.400 -0.152 0.000 0.905 250 E CB 0.890 30.523 29.700 -0.112 0.000 1.059 250 E HN 0.510 nan 8.360 nan 0.000 0.400 251 G N 2.041 110.785 108.800 -0.094 0.000 2.260 251 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.179 251 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.179 251 G C 0.917 175.806 174.900 -0.018 0.000 1.002 251 G CA 0.292 45.361 45.100 -0.053 0.000 0.677 251 G HN 0.579 nan 8.290 nan 0.000 0.486 252 T N -2.818 111.631 114.554 -0.175 0.000 3.429 252 T HA 0.347 4.697 4.350 -0.000 0.000 0.212 252 T C 1.939 176.472 174.700 -0.278 0.000 0.980 252 T CA 1.408 63.228 62.100 -0.467 0.000 1.201 252 T CB -0.110 68.156 68.868 -1.004 0.000 1.289 252 T HN 0.448 nan 8.240 nan 0.000 0.346 253 V N 2.094 121.857 119.914 -0.252 0.000 2.323 253 V HA 0.140 4.260 4.120 -0.000 0.000 0.244 253 V C 0.989 177.066 176.094 -0.028 0.000 1.041 253 V CA 1.327 63.577 62.300 -0.084 0.000 1.025 253 V CB -0.672 31.154 31.823 0.005 0.000 0.656 253 V HN 0.552 nan 8.190 nan 0.000 0.451 254 E N 0.008 120.160 120.200 -0.079 0.000 2.221 254 E HA 0.380 4.730 4.350 -0.000 0.000 0.268 254 E C -2.687 173.886 176.600 -0.045 0.000 0.933 254 E CA -2.375 53.989 56.400 -0.060 0.000 0.809 254 E CB 1.440 31.071 29.700 -0.114 0.000 1.190 254 E HN 0.194 nan 8.360 nan 0.000 0.406 255 P HA 0.053 nan 4.420 nan 0.000 0.275 255 P C -0.513 176.770 177.300 -0.028 0.000 1.228 255 P CA -0.076 63.015 63.100 -0.014 0.000 0.786 255 P CB 0.580 32.275 31.700 -0.007 0.000 0.927 256 L N 4.549 125.755 121.223 -0.027 0.000 2.475 256 L HA 0.148 4.488 4.340 -0.000 0.000 0.253 256 L C -1.074 175.791 176.870 -0.009 0.000 1.198 256 L CA -1.615 53.213 54.840 -0.020 0.000 0.814 256 L CB 0.173 42.215 42.059 -0.029 0.000 1.134 256 L HN 0.341 nan 8.230 nan 0.000 0.478 257 P HA -0.206 nan 4.420 nan 0.000 0.217 257 P C 0.525 177.828 177.300 0.006 0.000 1.162 257 P CA 1.411 64.524 63.100 0.021 0.000 0.901 257 P CB -0.136 31.596 31.700 0.053 0.000 0.793 258 N N -0.714 117.987 118.700 0.001 0.000 2.601 258 N HA -0.046 4.694 4.740 -0.000 0.000 0.201 258 N C 1.231 176.707 175.510 -0.057 0.000 1.355 258 N CA 1.222 54.264 53.050 -0.012 0.000 0.880 258 N CB -1.261 37.194 38.487 -0.052 0.000 1.071 258 N HN 0.237 nan 8.380 nan 0.000 0.454 259 G N -0.094 108.682 108.800 -0.039 0.000 2.205 259 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.269 259 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.269 259 G C 0.084 174.953 174.900 -0.052 0.000 0.977 259 G CA 0.999 46.076 45.100 -0.038 0.000 0.652 259 G HN 0.553 nan 8.290 nan 0.000 0.539 260 K N -0.624 119.725 120.400 -0.085 0.000 2.177 260 K HA 0.793 5.113 4.320 -0.000 0.000 0.238 260 K C 0.597 177.172 176.600 -0.041 0.000 1.015 260 K CA -0.789 55.443 56.287 -0.091 0.000 0.922 260 K CB 1.125 33.520 32.500 -0.175 0.000 1.127 260 K HN 0.170 nan 8.250 nan 0.000 0.469 261 R N 0.289 120.795 120.500 0.011 0.000 2.837 261 R HA 0.415 4.754 4.340 -0.000 0.000 0.271 261 R C -0.825 175.535 176.300 0.100 0.000 0.993 261 R CA -0.940 55.210 56.100 0.084 0.000 0.931 261 R CB 1.224 31.639 30.300 0.191 0.000 1.206 261 R HN 0.358 nan 8.270 nan 0.000 0.474 262 L N 3.951 125.228 121.223 0.090 0.000 2.367 262 L HA 0.275 4.615 4.340 -0.000 0.000 0.275 262 L C -1.823 175.069 176.870 0.035 0.000 1.129 262 L CA -1.749 53.069 54.840 -0.037 0.000 0.839 262 L CB 0.593 42.568 42.059 -0.140 0.000 1.133 262 L HN 0.274 nan 8.230 nan 0.000 0.453 263 P HA -0.017 nan 4.420 nan 0.000 0.269 263 P C 0.701 177.582 177.300 -0.698 0.000 1.215 263 P CA -0.253 62.365 63.100 -0.803 0.000 0.780 263 P CB 0.540 31.440 31.700 -1.333 0.000 0.898 264 T N -2.501 111.386 114.554 -1.112 0.000 2.996 264 T HA -0.175 4.174 4.350 -0.000 0.000 0.271 264 T C 0.962 175.377 174.700 -0.475 0.000 1.126 264 T CA 1.357 62.697 62.100 -1.267 0.000 1.103 264 T CB -0.795 67.484 68.868 -0.982 0.000 0.870 264 T HN 0.531 nan 8.240 nan 0.000 0.528 265 D N -0.296 119.904 120.400 -0.333 0.000 2.368 265 D HA 0.052 4.692 4.640 -0.000 0.000 0.218 265 D C 0.251 176.510 176.300 -0.067 0.000 1.112 265 D CA -0.848 53.071 54.000 -0.134 0.000 0.834 265 D CB -0.588 40.227 40.800 0.025 0.000 0.953 265 D HN 0.385 nan 8.370 nan 0.000 0.505 266 F N 2.185 122.027 119.950 -0.181 0.000 2.553 266 F HA 0.313 4.840 4.527 -0.000 0.000 0.356 266 F C 0.020 175.764 175.800 -0.094 0.000 1.142 266 F CA -0.361 57.581 58.000 -0.096 0.000 1.322 266 F CB 0.588 39.592 39.000 0.007 0.000 1.126 266 F HN -0.157 nan 8.300 nan 0.000 0.599 267 N N 3.471 121.615 118.700 -0.927 0.000 2.533 267 N HA 0.136 4.876 4.740 -0.000 0.000 0.289 267 N C -1.051 173.919 175.510 -0.899 0.000 1.103 267 N CA -0.496 52.132 53.050 -0.703 0.000 0.877 267 N CB 1.102 39.411 38.487 -0.297 0.000 1.419 267 N HN 0.594 nan 8.380 nan 0.000 0.517 268 E N 1.039 120.822 120.200 -0.695 0.000 2.349 268 E HA 0.340 4.690 4.350 -0.000 0.000 0.201 268 E C 0.653 177.215 176.600 -0.062 0.000 1.087 268 E CA -0.700 55.487 56.400 -0.355 0.000 1.128 268 E CB 0.037 29.687 29.700 -0.083 0.000 1.188 268 E HN 0.460 nan 8.360 nan 0.000 0.445 269 G N -0.034 108.753 108.800 -0.023 0.000 2.489 269 G HA2 0.600 4.560 3.960 -0.000 0.000 0.327 269 G HA3 0.600 4.560 3.960 -0.000 0.000 0.327 269 G C -0.467 174.464 174.900 0.051 0.000 1.189 269 G CA -0.818 44.314 45.100 0.054 0.000 0.962 269 G HN 0.338 nan 8.290 nan 0.000 0.486 270 A N 0.549 123.414 122.820 0.076 0.000 2.531 270 A HA 0.243 4.563 4.320 -0.000 0.000 0.236 270 A C 1.677 179.335 177.584 0.123 0.000 1.062 270 A CA 0.260 52.356 52.037 0.099 0.000 0.760 270 A CB 0.327 19.407 19.000 0.132 0.000 0.995 270 A HN 0.852 nan 8.150 nan 0.000 0.501 271 K N 1.553 122.012 120.400 0.098 0.000 2.160 271 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 271 K C 0.837 177.502 176.600 0.107 0.000 1.047 271 K CA 1.947 58.285 56.287 0.085 0.000 0.930 271 K CB -0.129 32.412 32.500 0.069 0.000 0.720 271 K HN 0.915 nan 8.250 nan 0.000 0.450 272 N N 0.686 119.481 118.700 0.159 0.000 2.327 272 N HA -0.034 4.706 4.740 -0.000 0.000 0.231 272 N C -0.786 174.855 175.510 0.218 0.000 1.130 272 N CA -0.196 52.964 53.050 0.183 0.000 0.845 272 N CB -0.399 38.218 38.487 0.216 0.000 1.073 272 N HN -0.017 nan 8.380 nan 0.000 0.496 273 N N 0.369 119.180 118.700 0.185 0.000 2.483 273 N HA 0.111 4.851 4.740 -0.000 0.000 0.264 273 N C -0.755 174.761 175.510 0.009 0.000 1.197 273 N CA 0.448 53.562 53.050 0.107 0.000 0.927 273 N CB 1.009 39.577 38.487 0.136 0.000 1.065 273 N HN 0.214 nan 8.380 nan 0.000 0.461 274 T N 1.717 116.207 114.554 -0.108 0.000 2.909 274 T HA 0.527 4.876 4.350 -0.000 0.000 0.299 274 T C -1.980 172.677 174.700 -0.073 0.000 1.073 274 T CA -0.428 61.630 62.100 -0.070 0.000 0.999 274 T CB 0.378 69.185 68.868 -0.101 0.000 1.098 274 T HN 0.308 nan 8.240 nan 0.000 0.477 275 Y N 2.718 122.934 120.300 -0.139 0.000 2.323 275 Y HA 0.542 5.092 4.550 -0.000 0.000 0.322 275 Y C -0.391 175.424 175.900 -0.142 0.000 1.133 275 Y CA -0.732 57.267 58.100 -0.168 0.000 1.093 275 Y CB 1.689 40.038 38.460 -0.185 0.000 1.203 275 Y HN 0.833 nan 8.280 nan 0.000 0.427 276 S N 5.473 121.251 115.700 0.130 0.000 2.667 276 S HA 0.914 5.383 4.470 -0.000 0.000 0.292 276 S C -1.204 173.444 174.600 0.080 0.000 1.126 276 S CA -1.019 57.223 58.200 0.070 0.000 0.881 276 S CB 3.121 66.332 63.200 0.017 0.000 1.132 276 S HN 0.777 nan 8.310 nan 0.000 0.492 277 R N 0.968 121.492 120.500 0.040 0.000 2.561 277 R HA 0.413 4.752 4.340 -0.000 0.000 0.266 277 R C -2.148 174.175 176.300 0.038 0.000 1.091 277 R CA -0.430 55.697 56.100 0.045 0.000 0.927 277 R CB 1.506 31.823 30.300 0.027 0.000 1.240 277 R HN 0.851 nan 8.270 nan 0.000 0.449 278 N N 2.703 121.434 118.700 0.052 0.000 2.284 278 N HA 0.292 5.032 4.740 -0.000 0.000 0.300 278 N C -1.529 174.021 175.510 0.067 0.000 1.047 278 N CA -0.289 52.797 53.050 0.059 0.000 0.821 278 N CB 2.172 40.697 38.487 0.063 0.000 1.337 278 N HN 0.662 nan 8.380 nan 0.000 0.482 279 E N 2.066 122.310 120.200 0.074 0.000 2.256 279 E HA 0.456 4.806 4.350 -0.000 0.000 0.268 279 E C -0.956 175.708 176.600 0.105 0.000 0.877 279 E CA -0.607 55.840 56.400 0.078 0.000 0.757 279 E CB 2.385 32.144 29.700 0.099 0.000 1.183 279 E HN 0.461 nan 8.360 nan 0.000 0.418 283 G N 1.944 110.776 108.800 0.055 0.000 2.428 283 G HA2 0.874 4.834 3.960 -0.000 0.000 0.305 283 G HA3 0.874 4.834 3.960 -0.000 0.000 0.305 283 G C -1.616 173.376 174.900 0.153 0.000 1.260 283 G CA 0.221 45.361 45.100 0.067 0.000 0.853 283 G HN 2.503 nan 8.290 nan 0.000 0.480 284 Y N -1.929 118.381 120.300 0.016 0.000 2.662 284 Y HA 0.822 5.372 4.550 -0.000 0.000 0.334 284 Y C -0.799 175.019 175.900 -0.136 0.000 1.185 284 Y CA -1.179 56.847 58.100 -0.123 0.000 1.074 284 Y CB 1.349 39.645 38.460 -0.273 0.000 1.330 284 Y HN 0.939 nan 8.280 nan 0.000 0.458 285 S N 2.746 118.477 115.700 0.051 0.000 2.552 285 S HA 0.749 5.219 4.470 -0.000 0.000 0.314 285 S C -1.844 172.797 174.600 0.069 0.000 1.099 285 S CA -0.433 57.772 58.200 0.008 0.000 1.070 285 S CB 0.295 63.402 63.200 -0.155 0.000 0.998 285 S HN 0.707 nan 8.310 nan 0.000 0.474 286 F N 4.864 124.836 119.950 0.037 0.000 2.577 286 F HA 0.740 5.267 4.527 -0.000 0.000 0.318 286 F C -1.194 174.597 175.800 -0.015 0.000 1.065 286 F CA -0.778 57.252 58.000 0.050 0.000 0.929 286 F CB 1.755 40.916 39.000 0.270 0.000 1.237 286 F HN 0.685 nan 8.300 nan 0.000 0.468 287 D N 2.653 122.286 120.400 -1.279 0.000 2.717 287 D HA 0.231 4.871 4.640 -0.000 0.000 0.223 287 D C -2.212 173.409 176.300 -1.132 0.000 1.240 287 D CA -0.338 53.062 54.000 -1.000 0.000 0.801 287 D CB 1.960 42.425 40.800 -0.559 0.000 1.556 287 D HN 0.689 nan 8.370 nan 0.000 0.462 288 H N 0.328 118.886 119.070 -0.854 0.000 2.954 288 H HA 0.354 4.910 4.556 -0.000 0.000 0.361 288 H C -1.661 173.293 175.328 -0.623 0.000 1.122 288 H CA -0.377 55.273 56.048 -0.664 0.000 1.217 288 H CB 2.250 31.688 29.762 -0.541 0.000 1.776 288 H HN 0.642 nan 8.280 nan 0.000 0.533 289 E N 4.817 124.995 120.200 -0.036 0.000 2.092 289 E HA 0.186 4.536 4.350 -0.000 0.000 0.271 289 E C -0.055 176.667 176.600 0.202 0.000 0.919 289 E CA -0.530 55.861 56.400 -0.015 0.000 0.760 289 E CB 0.458 30.120 29.700 -0.065 0.000 1.106 289 E HN 0.383 nan 8.360 nan 0.000 0.408 290 F N 3.477 123.607 119.950 0.301 0.000 2.118 290 F HA 0.004 4.531 4.527 -0.000 0.000 0.293 290 F C 1.204 177.111 175.800 0.179 0.000 1.102 290 F CA 0.848 58.976 58.000 0.213 0.000 1.247 290 F CB -0.428 38.621 39.000 0.080 0.000 1.017 290 F HN 0.550 nan 8.300 nan 0.000 0.475 291 N N -2.197 116.717 118.700 0.357 0.000 3.600 291 N HA 0.130 4.869 4.740 -0.000 0.000 0.348 291 N C -0.170 175.423 175.510 0.137 0.000 1.649 291 N CA -0.330 52.850 53.050 0.218 0.000 0.710 291 N CB -0.001 38.615 38.487 0.215 0.000 2.380 291 N HN -0.220 nan 8.380 nan 0.000 0.631 292 D N -1.462 118.990 120.400 0.087 0.000 2.355 292 D HA 0.001 4.641 4.640 -0.000 0.000 0.218 292 D C 0.363 176.665 176.300 0.003 0.000 1.004 292 D CA 1.115 55.139 54.000 0.039 0.000 0.880 292 D CB 0.246 41.062 40.800 0.026 0.000 0.911 292 D HN 0.597 nan 8.370 nan 0.000 0.528 293 T N -1.312 113.227 114.554 -0.025 0.000 2.969 293 T HA 0.118 4.468 4.350 -0.000 0.000 0.258 293 T C -0.470 174.065 174.700 -0.275 0.000 0.962 293 T CA -0.271 61.718 62.100 -0.184 0.000 0.903 293 T CB 0.255 68.937 68.868 -0.310 0.000 1.177 293 T HN -0.202 nan 8.240 nan 0.000 0.511 294 F N 1.931 121.974 119.950 0.155 0.000 2.493 294 F HA 0.657 5.184 4.527 -0.000 0.000 0.329 294 F C 0.015 175.899 175.800 0.141 0.000 1.126 294 F CA -0.792 57.321 58.000 0.188 0.000 0.937 294 F CB 2.230 41.400 39.000 0.284 0.000 1.146 294 F HN -0.172 nan 8.300 nan 0.000 0.442 295 T N 3.089 117.811 114.554 0.280 0.000 2.881 295 T HA 0.531 4.881 4.350 -0.000 0.000 0.290 295 T C -1.253 173.459 174.700 0.019 0.000 1.000 295 T CA -0.618 61.505 62.100 0.038 0.000 0.978 295 T CB 2.037 70.913 68.868 0.014 0.000 0.997 295 T HN 0.415 nan 8.240 nan 0.000 0.443 296 V N 4.382 124.203 119.914 -0.154 0.000 2.667 296 V HA 0.901 5.021 4.120 -0.000 0.000 0.308 296 V C -1.099 174.945 176.094 -0.083 0.000 1.048 296 V CA -0.891 61.389 62.300 -0.034 0.000 0.928 296 V CB 1.502 33.353 31.823 0.048 0.000 1.004 296 V HN 0.965 nan 8.190 nan 0.000 0.444 297 R N 4.676 125.190 120.500 0.023 0.000 2.548 297 R HA 0.643 4.983 4.340 -0.000 0.000 0.280 297 R C -1.359 175.033 176.300 0.153 0.000 1.061 297 R CA -0.774 55.327 56.100 0.001 0.000 0.915 297 R CB 1.734 31.986 30.300 -0.080 0.000 1.210 297 R HN 0.691 nan 8.270 nan 0.000 0.442 298 Q N 2.627 122.593 119.800 0.277 0.000 2.337 298 Q HA 0.377 4.716 4.340 -0.000 0.000 0.270 298 Q C -1.398 174.763 176.000 0.268 0.000 1.043 298 Q CA -0.903 55.092 55.803 0.320 0.000 0.794 298 Q CB 2.064 31.079 28.738 0.462 0.000 1.281 298 Q HN 0.668 nan 8.270 nan 0.000 0.446 299 N N 4.226 122.994 118.700 0.114 0.000 2.407 299 N HA 0.463 5.203 4.740 -0.000 0.000 0.277 299 N C -1.440 173.965 175.510 -0.174 0.000 0.995 299 N CA -0.255 52.781 53.050 -0.024 0.000 0.903 299 N CB 1.749 40.235 38.487 -0.002 0.000 1.218 299 N HN 0.612 nan 8.380 nan 0.000 0.487 300 L N 1.782 122.727 121.223 -0.463 0.000 2.408 300 L HA 0.653 4.993 4.340 -0.000 0.000 0.268 300 L C -0.960 175.634 176.870 -0.459 0.000 0.986 300 L CA -0.678 53.833 54.840 -0.549 0.000 0.820 300 L CB 2.194 43.803 42.059 -0.751 0.000 1.303 300 L HN 0.480 nan 8.230 nan 0.000 0.411 301 R N 3.626 123.898 120.500 -0.380 0.000 2.604 301 R HA 0.488 4.828 4.340 -0.000 0.000 0.270 301 R C -2.323 173.893 176.300 -0.140 0.000 1.052 301 R CA -0.565 55.407 56.100 -0.214 0.000 0.902 301 R CB 2.026 32.200 30.300 -0.210 0.000 1.233 301 R HN 0.589 nan 8.270 nan 0.000 0.455 302 F N 2.613 122.531 119.950 -0.053 0.000 2.547 302 F HA 0.813 5.339 4.527 -0.000 0.000 0.316 302 F C -1.610 174.228 175.800 0.063 0.000 1.121 302 F CA -0.298 57.758 58.000 0.094 0.000 0.911 302 F CB 2.210 41.386 39.000 0.293 0.000 1.179 302 F HN 0.679 nan 8.300 nan 0.000 0.443 303 A N 4.539 126.692 122.820 -1.111 0.000 2.539 303 A HA 0.670 4.990 4.320 -0.000 0.000 0.296 303 A C -1.649 175.492 177.584 -0.737 0.000 1.073 303 A CA -0.695 50.907 52.037 -0.725 0.000 0.700 303 A CB 1.713 20.505 19.000 -0.347 0.000 1.296 303 A HN 0.814 nan 8.150 nan 0.000 0.405 304 E N 1.623 121.628 120.200 -0.325 0.000 2.244 304 E HA 0.479 4.829 4.350 -0.000 0.000 0.260 304 E C -1.456 175.128 176.600 -0.027 0.000 0.884 304 E CA -0.641 55.686 56.400 -0.122 0.000 0.777 304 E CB 0.931 30.661 29.700 0.050 0.000 1.197 304 E HN 0.652 nan 8.360 nan 0.000 0.416 305 N N 3.458 122.149 118.700 -0.014 0.000 2.240 305 N HA 0.468 5.208 4.740 -0.000 0.000 0.302 305 N C -1.249 174.291 175.510 0.050 0.000 1.106 305 N CA -0.677 52.388 53.050 0.024 0.000 0.778 305 N CB 2.032 40.527 38.487 0.014 0.000 1.431 305 N HN 0.402 nan 8.380 nan 0.000 0.479 306 K N -0.218 120.220 120.400 0.063 0.000 2.443 306 K HA 0.701 5.021 4.320 -0.000 0.000 0.251 306 K C -0.899 175.747 176.600 0.076 0.000 0.972 306 K CA -0.757 55.572 56.287 0.070 0.000 0.833 306 K CB 2.507 35.044 32.500 0.061 0.000 1.317 306 K HN 0.420 nan 8.250 nan 0.000 0.441 307 T N 0.097 114.698 114.554 0.079 0.000 3.012 307 T HA 0.495 4.845 4.350 -0.000 0.000 0.330 307 T C -1.846 172.861 174.700 0.012 0.000 1.321 307 T CA -0.577 61.565 62.100 0.071 0.000 1.067 307 T CB 1.148 70.105 68.868 0.147 0.000 1.235 307 T HN 0.697 nan 8.240 nan 0.000 0.479 308 S N 3.438 119.096 115.700 -0.070 0.000 2.588 308 S HA 0.887 5.357 4.470 -0.000 0.000 0.275 308 S C -1.370 173.030 174.600 -0.333 0.000 1.130 308 S CA -0.807 57.303 58.200 -0.150 0.000 0.855 308 S CB 2.144 65.292 63.200 -0.088 0.000 1.116 308 S HN 1.106 nan 8.310 nan 0.000 0.472 309 Q N 0.601 120.146 119.800 -0.425 0.000 2.527 309 Q HA 0.484 4.824 4.340 -0.000 0.000 0.280 309 Q C -2.127 173.547 176.000 -0.544 0.000 0.977 309 Q CA -0.858 54.584 55.803 -0.603 0.000 0.837 309 Q CB 1.172 29.214 28.738 -1.159 0.000 1.454 309 Q HN 0.758 nan 8.270 nan 0.000 0.387 310 N N 0.790 119.109 118.700 -0.635 0.000 2.569 310 N HA 0.422 5.162 4.740 -0.000 0.000 0.254 310 N C -1.666 173.316 175.510 -0.880 0.000 1.004 310 N CA -0.337 52.038 53.050 -1.125 0.000 0.904 310 N CB 1.786 39.413 38.487 -1.433 0.000 1.165 310 N HN 0.474 nan 8.380 nan 0.000 0.513 311 S N 1.319 116.766 115.700 -0.422 0.000 2.561 311 S HA 0.370 4.840 4.470 -0.000 0.000 0.303 311 S C -0.383 174.384 174.600 0.279 0.000 1.110 311 S CA -0.583 57.603 58.200 -0.024 0.000 1.034 311 S CB 2.118 65.247 63.200 -0.118 0.000 1.010 311 S HN 0.102 nan 8.310 nan 0.000 0.482 312 V N 5.113 125.180 119.914 0.254 0.000 2.347 312 V HA 0.499 4.619 4.120 -0.000 0.000 0.280 312 V C -0.910 175.264 176.094 0.132 0.000 1.021 312 V CA -0.590 61.766 62.300 0.093 0.000 0.847 312 V CB 0.286 32.029 31.823 -0.135 0.000 0.990 312 V HN 0.849 nan 8.190 nan 0.000 0.444 313 Y N 2.739 122.989 120.300 -0.085 0.000 2.587 313 Y HA 0.920 5.470 4.550 -0.000 0.000 0.337 313 Y C 0.406 176.281 175.900 -0.042 0.000 1.065 313 Y CA -1.803 56.223 58.100 -0.122 0.000 1.126 313 Y CB 1.129 39.379 38.460 -0.350 0.000 1.279 313 Y HN 0.605 nan 8.280 nan 0.000 0.489 314 G N 0.979 109.825 108.800 0.078 0.000 2.395 314 G HA2 0.328 4.288 3.960 -0.000 0.000 0.283 314 G HA3 0.328 4.288 3.960 -0.000 0.000 0.283 314 G C -1.290 173.722 174.900 0.186 0.000 1.178 314 G CA -0.153 45.009 45.100 0.103 0.000 0.837 314 G HN 0.654 nan 8.290 nan 0.000 0.518 315 Y N 0.997 121.288 120.300 -0.016 0.000 3.106 315 Y HA 0.609 5.159 4.550 -0.000 0.000 0.438 315 Y C 1.428 177.447 175.900 0.198 0.000 1.222 315 Y CA 0.319 58.479 58.100 0.100 0.000 1.563 315 Y CB 0.296 38.701 38.460 -0.093 0.000 1.450 315 Y HN 0.652 nan 8.280 nan 0.000 0.842 316 G N -0.494 108.370 108.800 0.107 0.000 2.857 316 G HA2 0.484 4.444 3.960 -0.000 0.000 0.217 316 G HA3 0.484 4.444 3.960 -0.000 0.000 0.217 316 G C -1.121 173.842 174.900 0.106 0.000 1.357 316 G CA -0.169 45.004 45.100 0.122 0.000 1.033 316 G HN 0.542 nan 8.290 nan 0.000 0.571 317 V N -2.348 117.605 119.914 0.065 0.000 2.881 317 V HA 0.195 4.314 4.120 -0.000 0.000 0.303 317 V C 1.424 177.557 176.094 0.065 0.000 1.070 317 V CA -0.699 61.640 62.300 0.065 0.000 1.074 317 V CB 0.675 32.520 31.823 0.036 0.000 1.012 317 V HN 0.736 nan 8.190 nan 0.000 0.482 318 c N 2.678 121.323 118.600 0.074 0.000 2.388 318 c HA -0.095 4.475 4.570 -0.000 0.000 0.299 318 c C 2.465 176.573 174.090 0.030 0.000 1.390 318 c CA 1.643 58.004 56.329 0.053 0.000 1.808 318 c CB -2.039 40.497 42.510 0.044 0.000 1.831 318 c HN 1.138 nan 8.230 nan 0.000 0.548 319 S N -1.748 113.968 115.700 0.028 0.000 2.554 319 S HA 0.077 4.547 4.470 -0.000 0.000 0.226 319 S C -0.031 174.570 174.600 0.002 0.000 0.980 319 S CA -0.177 58.030 58.200 0.011 0.000 0.939 319 S CB -0.175 63.034 63.200 0.015 0.000 0.832 319 S HN 0.633 nan 8.310 nan 0.000 0.486 320 D N 2.748 123.158 120.400 0.016 0.000 2.351 320 D HA 0.238 4.878 4.640 -0.000 0.000 0.251 320 D C -1.686 174.631 176.300 0.029 0.000 1.137 320 D CA -1.860 52.153 54.000 0.023 0.000 0.879 320 D CB 1.680 42.514 40.800 0.056 0.000 1.181 320 D HN -0.059 nan 8.370 nan 0.000 0.448 321 P HA -0.232 nan 4.420 nan 0.000 0.219 321 P C 0.950 178.268 177.300 0.030 0.000 1.153 321 P CA 1.903 65.009 63.100 0.009 0.000 0.865 321 P CB 0.163 31.880 31.700 0.030 0.000 0.788 322 A N -0.417 122.461 122.820 0.097 0.000 1.908 322 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 322 A C 1.853 179.517 177.584 0.132 0.000 1.181 322 A CA 1.805 53.923 52.037 0.134 0.000 0.627 322 A CB -1.227 17.804 19.000 0.052 0.000 0.818 322 A HN 0.200 nan 8.150 nan 0.000 0.445 323 N N 0.078 118.835 118.700 0.095 0.000 2.362 323 N HA 0.224 4.964 4.740 -0.000 0.000 0.204 323 N C 1.445 176.950 175.510 -0.008 0.000 1.166 323 N CA 0.732 53.823 53.050 0.069 0.000 0.831 323 N CB -0.025 38.508 38.487 0.077 0.000 1.008 323 N HN 0.484 nan 8.380 nan 0.000 0.472 324 A N 0.547 123.306 122.820 -0.100 0.000 1.903 324 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 324 A C 0.985 178.396 177.584 -0.288 0.000 1.191 324 A CA 1.369 53.241 52.037 -0.274 0.000 0.638 324 A CB -0.787 17.902 19.000 -0.519 0.000 0.823 324 A HN 0.332 nan 8.150 nan 0.000 0.451 325 Y N 0.107 120.419 120.300 0.020 0.000 2.496 325 Y HA 0.354 4.904 4.550 -0.000 0.000 0.313 325 Y C 1.102 177.008 175.900 0.009 0.000 1.184 325 Y CA 0.146 58.254 58.100 0.014 0.000 1.275 325 Y CB -0.297 38.170 38.460 0.011 0.000 1.103 325 Y HN 0.166 nan 8.280 nan 0.000 0.513 326 S N 0.430 116.189 115.700 0.097 0.000 2.438 326 S HA 0.240 4.709 4.470 -0.000 0.000 0.293 326 S C 1.035 175.660 174.600 0.042 0.000 1.141 326 S CA -0.710 57.530 58.200 0.067 0.000 1.080 326 S CB 0.778 64.003 63.200 0.042 0.000 0.978 326 S HN 0.427 nan 8.310 nan 0.000 0.479 327 K N 3.402 123.828 120.400 0.044 0.000 1.985 327 K HA -0.133 4.187 4.320 -0.000 0.000 0.210 327 K C 2.141 178.741 176.600 -0.000 0.000 1.047 327 K CA 1.599 57.901 56.287 0.025 0.000 0.932 327 K CB -0.258 32.261 32.500 0.031 0.000 0.716 327 K HN 0.686 nan 8.250 nan 0.000 0.439 328 Q N 0.264 120.062 119.800 -0.002 0.000 2.197 328 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 328 Q C 2.333 178.295 176.000 -0.064 0.000 0.993 328 Q CA 1.683 57.467 55.803 -0.030 0.000 0.883 328 Q CB -0.401 28.327 28.738 -0.017 0.000 0.916 328 Q HN 0.421 nan 8.270 nan 0.000 0.418 329 c N -0.380 118.197 118.600 -0.039 0.000 2.489 329 c HA -0.007 4.563 4.570 -0.000 0.000 0.279 329 c C 2.787 176.846 174.090 -0.053 0.000 1.266 329 c CA 0.597 56.896 56.329 -0.050 0.000 1.707 329 c CB -1.046 41.456 42.510 -0.013 0.000 2.059 329 c HN 0.637 nan 8.230 nan 0.000 0.481 330 A N 0.152 122.954 122.820 -0.029 0.000 2.178 330 A HA 0.182 4.502 4.320 -0.000 0.000 0.218 330 A C 1.818 179.382 177.584 -0.033 0.000 1.157 330 A CA 1.574 53.596 52.037 -0.024 0.000 0.689 330 A CB -0.471 18.525 19.000 -0.006 0.000 0.787 330 A HN 0.627 nan 8.150 nan 0.000 0.465 331 A N -0.474 122.315 122.820 -0.051 0.000 2.476 331 A HA 0.589 4.909 4.320 -0.000 0.000 0.263 331 A C 0.192 177.721 177.584 -0.092 0.000 1.342 331 A CA -0.143 51.858 52.037 -0.059 0.000 0.926 331 A CB -0.383 18.583 19.000 -0.058 0.000 1.019 331 A HN 0.373 nan 8.150 nan 0.000 0.515 332 L N -0.469 120.699 121.223 -0.093 0.000 2.401 332 L HA 0.615 4.955 4.340 -0.000 0.000 0.266 332 L C 0.432 177.277 176.870 -0.042 0.000 0.991 332 L CA -1.061 53.713 54.840 -0.110 0.000 0.818 332 L CB 1.946 43.889 42.059 -0.192 0.000 1.321 332 L HN 0.182 nan 8.230 nan 0.000 0.413 333 A N 3.108 125.921 122.820 -0.012 0.000 2.561 333 A HA 0.179 4.499 4.320 -0.000 0.000 0.251 333 A C -1.559 176.042 177.584 0.028 0.000 1.062 333 A CA -0.668 51.378 52.037 0.015 0.000 0.761 333 A CB -0.327 18.694 19.000 0.035 0.000 0.986 333 A HN 0.665 nan 8.150 nan 0.000 0.510 334 P HA -0.311 nan 4.420 nan 0.000 0.221 334 P C 1.293 178.616 177.300 0.039 0.000 1.151 334 P CA 2.594 65.707 63.100 0.021 0.000 0.843 334 P CB 0.229 31.937 31.700 0.014 0.000 0.778 335 A N -1.813 121.040 122.820 0.055 0.000 2.195 335 A HA -0.010 4.309 4.320 -0.000 0.000 0.210 335 A C 1.448 179.115 177.584 0.138 0.000 1.165 335 A CA 0.945 53.028 52.037 0.075 0.000 0.806 335 A CB -0.449 18.587 19.000 0.060 0.000 0.847 335 A HN 0.057 nan 8.150 nan 0.000 0.482 336 D N -0.367 120.130 120.400 0.162 0.000 2.360 336 D HA 0.085 4.724 4.640 -0.000 0.000 0.210 336 D C 1.419 177.827 176.300 0.181 0.000 1.047 336 D CA 0.447 54.617 54.000 0.284 0.000 0.854 336 D CB 0.117 41.102 40.800 0.309 0.000 0.936 336 D HN 0.365 nan 8.370 nan 0.000 0.514 337 K N 0.075 120.536 120.400 0.102 0.000 2.442 337 K HA 0.033 4.353 4.320 -0.000 0.000 0.198 337 K C 1.652 178.296 176.600 0.073 0.000 1.042 337 K CA 0.757 57.081 56.287 0.061 0.000 0.958 337 K CB 0.157 32.674 32.500 0.027 0.000 0.766 337 K HN 0.055 nan 8.250 nan 0.000 0.474 338 G N 0.431 109.293 108.800 0.103 0.000 3.284 338 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.236 338 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.236 338 G C 0.418 175.399 174.900 0.136 0.000 1.158 338 G CA -0.075 45.081 45.100 0.094 0.000 0.774 338 G HN 0.503 nan 8.290 nan 0.000 0.545 339 H N -3.495 115.616 119.070 0.069 0.000 3.124 339 H HA 0.441 4.997 4.556 -0.000 0.000 0.250 339 H C -1.138 174.116 175.328 -0.124 0.000 1.184 339 H CA -0.893 55.143 56.048 -0.020 0.000 1.013 339 H CB -0.322 29.424 29.762 -0.027 0.000 1.891 339 H HN 0.111 nan 8.280 nan 0.000 0.687 340 Y N 0.917 121.075 120.300 -0.236 0.000 2.409 340 Y HA 0.442 4.992 4.550 -0.000 0.000 0.343 340 Y C -0.894 174.987 175.900 -0.032 0.000 0.973 340 Y CA -1.462 56.537 58.100 -0.167 0.000 1.064 340 Y CB 2.103 40.428 38.460 -0.225 0.000 1.207 340 Y HN 0.250 nan 8.280 nan 0.000 0.452 341 L N 3.614 124.946 121.223 0.181 0.000 2.282 341 L HA 0.818 5.158 4.340 -0.000 0.000 0.288 341 L C -0.277 176.680 176.870 0.145 0.000 1.033 341 L CA -0.512 54.422 54.840 0.157 0.000 0.807 341 L CB 0.681 42.849 42.059 0.182 0.000 1.209 341 L HN 0.692 nan 8.230 nan 0.000 0.423 342 A N 5.831 128.727 122.820 0.125 0.000 2.354 342 A HA 0.791 5.111 4.320 -0.000 0.000 0.269 342 A C -0.095 177.536 177.584 0.079 0.000 1.109 342 A CA -0.318 51.778 52.037 0.099 0.000 0.800 342 A CB 0.303 19.373 19.000 0.116 0.000 1.045 342 A HN 0.830 nan 8.150 nan 0.000 0.489 343 R N 0.800 121.299 120.500 -0.002 0.000 2.774 343 R HA 0.645 4.985 4.340 -0.000 0.000 0.272 343 R C -0.851 175.302 176.300 -0.244 0.000 1.000 343 R CA -0.727 55.301 56.100 -0.120 0.000 0.906 343 R CB 2.460 32.707 30.300 -0.088 0.000 1.227 343 R HN 0.808 nan 8.270 nan 0.000 0.468 344 K N 0.167 120.261 120.400 -0.512 0.000 2.213 344 K HA 0.525 4.845 4.320 -0.000 0.000 0.254 344 K C -1.495 174.893 176.600 -0.352 0.000 1.062 344 K CA -0.908 55.090 56.287 -0.482 0.000 0.884 344 K CB 1.896 34.002 32.500 -0.657 0.000 1.437 344 K HN 0.545 nan 8.250 nan 0.000 0.464 345 Y N -2.944 117.265 120.300 -0.151 0.000 2.728 345 Y HA 0.802 5.352 4.550 -0.000 0.000 0.330 345 Y C -1.658 174.323 175.900 0.136 0.000 1.234 345 Y CA -1.232 56.885 58.100 0.029 0.000 1.070 345 Y CB 1.335 39.665 38.460 -0.216 0.000 1.300 345 Y HN 0.251 nan 8.280 nan 0.000 0.467 346 V N 1.494 121.557 119.914 0.248 0.000 2.882 346 V HA 0.615 4.735 4.120 -0.000 0.000 0.295 346 V C -2.069 173.982 176.094 -0.072 0.000 1.273 346 V CA -0.580 61.598 62.300 -0.203 0.000 0.949 346 V CB 1.896 33.307 31.823 -0.686 0.000 1.071 346 V HN 0.877 nan 8.190 nan 0.000 0.432 347 V N 5.638 125.553 119.914 0.001 0.000 2.417 347 V HA 0.662 4.782 4.120 -0.000 0.000 0.291 347 V C -0.477 175.566 176.094 -0.086 0.000 1.024 347 V CA -0.255 62.025 62.300 -0.033 0.000 0.861 347 V CB 1.737 33.653 31.823 0.155 0.000 0.985 347 V HN 1.013 nan 8.190 nan 0.000 0.436 348 D N 2.717 123.008 120.400 -0.182 0.000 2.547 348 D HA 0.594 5.234 4.640 -0.000 0.000 0.231 348 D C -1.574 174.696 176.300 -0.050 0.000 1.099 348 D CA -0.315 53.636 54.000 -0.082 0.000 0.901 348 D CB 2.260 42.946 40.800 -0.190 0.000 1.478 348 D HN 0.567 nan 8.370 nan 0.000 0.471 349 D N 1.725 122.157 120.400 0.053 0.000 2.548 349 D HA 0.196 4.835 4.640 -0.000 0.000 0.214 349 D C -1.300 175.058 176.300 0.098 0.000 1.345 349 D CA -0.228 53.801 54.000 0.048 0.000 0.945 349 D CB 1.033 41.856 40.800 0.040 0.000 1.499 349 D HN 0.503 nan 8.370 nan 0.000 0.579 350 E N 1.616 121.880 120.200 0.106 0.000 2.410 350 E HA 0.580 4.930 4.350 -0.000 0.000 0.269 350 E C -0.829 175.827 176.600 0.094 0.000 0.937 350 E CA -1.019 55.454 56.400 0.122 0.000 0.793 350 E CB 3.031 32.847 29.700 0.192 0.000 1.314 350 E HN 0.165 nan 8.360 nan 0.000 0.447 351 K N 1.824 122.274 120.400 0.084 0.000 2.616 351 K HA 0.297 4.617 4.320 -0.000 0.000 0.255 351 K C -2.032 174.606 176.600 0.063 0.000 0.995 351 K CA -0.527 55.802 56.287 0.071 0.000 0.860 351 K CB 0.848 33.388 32.500 0.066 0.000 1.264 351 K HN 0.397 nan 8.250 nan 0.000 0.451 352 L N 1.047 122.300 121.223 0.051 0.000 2.333 352 L HA 0.633 4.973 4.340 -0.000 0.000 0.263 352 L C -1.233 175.641 176.870 0.006 0.000 1.014 352 L CA -0.415 54.446 54.840 0.035 0.000 0.820 352 L CB 1.910 43.984 42.059 0.026 0.000 1.352 352 L HN 0.547 nan 8.230 nan 0.000 0.421 353 Q N 1.390 121.200 119.800 0.017 0.000 2.342 353 Q HA 0.472 4.812 4.340 -0.000 0.000 0.267 353 Q C -1.555 174.414 176.000 -0.051 0.000 1.038 353 Q CA -0.443 55.342 55.803 -0.030 0.000 0.832 353 Q CB 2.287 31.142 28.738 0.195 0.000 1.323 353 Q HN 0.901 nan 8.270 nan 0.000 0.448 354 N N 2.201 120.772 118.700 -0.216 0.000 2.480 354 N HA 0.417 5.157 4.740 -0.000 0.000 0.289 354 N C -1.904 173.576 175.510 -0.050 0.000 1.073 354 N CA -0.307 52.673 53.050 -0.117 0.000 0.885 354 N CB 1.155 39.538 38.487 -0.173 0.000 1.421 354 N HN 0.465 nan 8.380 nan 0.000 0.503 355 F N 2.793 122.750 119.950 0.013 0.000 2.458 355 F HA 0.556 5.083 4.527 -0.000 0.000 0.336 355 F C -0.879 174.906 175.800 -0.027 0.000 1.114 355 F CA -0.164 57.919 58.000 0.139 0.000 0.987 355 F CB 1.414 40.589 39.000 0.291 0.000 1.130 355 F HN 0.209 nan 8.300 nan 0.000 0.458 356 S N 4.460 119.657 115.700 -0.838 0.000 2.548 356 S HA 0.771 5.241 4.470 -0.000 0.000 0.276 356 S C -1.303 172.909 174.600 -0.647 0.000 1.129 356 S CA -0.758 57.091 58.200 -0.586 0.000 0.931 356 S CB 1.791 64.790 63.200 -0.334 0.000 1.068 356 S HN 0.803 nan 8.310 nan 0.000 0.480 357 V N -0.425 119.324 119.914 -0.274 0.000 2.777 357 V HA 0.808 4.927 4.120 -0.000 0.000 0.306 357 V C -1.898 174.258 176.094 0.102 0.000 1.112 357 V CA -0.715 61.538 62.300 -0.079 0.000 0.917 357 V CB 1.979 33.865 31.823 0.105 0.000 1.018 357 V HN 0.774 nan 8.190 nan 0.000 0.426 358 D N 2.237 122.700 120.400 0.106 0.000 2.629 358 D HA 0.721 5.361 4.640 -0.000 0.000 0.250 358 D C -0.682 175.735 176.300 0.195 0.000 1.126 358 D CA 0.101 54.213 54.000 0.185 0.000 0.852 358 D CB 2.457 43.360 40.800 0.173 0.000 1.335 358 D HN 0.796 nan 8.370 nan 0.000 0.518 359 T N 3.840 118.522 114.554 0.214 0.000 2.824 359 T HA 0.601 4.950 4.350 -0.000 0.000 0.282 359 T C -0.910 173.881 174.700 0.152 0.000 0.993 359 T CA -0.808 61.407 62.100 0.191 0.000 0.967 359 T CB 1.395 70.373 68.868 0.183 0.000 0.960 359 T HN 0.429 nan 8.240 nan 0.000 0.441 360 Q N 1.951 121.836 119.800 0.142 0.000 2.340 360 Q HA 0.719 5.059 4.340 -0.000 0.000 0.276 360 Q C -1.802 174.259 176.000 0.103 0.000 1.048 360 Q CA -1.249 54.612 55.803 0.097 0.000 0.832 360 Q CB 2.085 30.916 28.738 0.154 0.000 1.373 360 Q HN 0.446 nan 8.270 nan 0.000 0.409 361 L N 1.446 122.722 121.223 0.087 0.000 2.307 361 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 361 L C -0.984 175.986 176.870 0.166 0.000 1.023 361 L CA -0.105 54.818 54.840 0.138 0.000 0.810 361 L CB 1.884 44.018 42.059 0.124 0.000 1.231 361 L HN 0.846 nan 8.230 nan 0.000 0.423 362 Q N 3.329 123.249 119.800 0.200 0.000 2.368 362 Q HA 0.494 4.834 4.340 -0.000 0.000 0.263 362 Q C -1.357 174.769 176.000 0.209 0.000 1.009 362 Q CA -0.342 55.557 55.803 0.161 0.000 0.818 362 Q CB 1.043 29.848 28.738 0.111 0.000 1.239 362 Q HN 0.815 nan 8.270 nan 0.000 0.464 363 S N 4.412 120.207 115.700 0.159 0.000 2.422 363 S HA 0.409 4.879 4.470 -0.000 0.000 0.308 363 S C -0.839 173.642 174.600 -0.200 0.000 1.097 363 S CA -0.779 57.448 58.200 0.044 0.000 1.099 363 S CB 0.760 64.112 63.200 0.255 0.000 0.976 363 S HN 0.419 nan 8.310 nan 0.000 0.471 364 K N 3.825 124.096 120.400 -0.215 0.000 2.293 364 K HA 0.594 4.913 4.320 -0.000 0.000 0.267 364 K C -0.728 175.781 176.600 -0.153 0.000 1.010 364 K CA -0.370 55.778 56.287 -0.232 0.000 0.875 364 K CB 0.850 33.284 32.500 -0.111 0.000 1.106 364 K HN 0.635 nan 8.250 nan 0.000 0.450 365 F N -0.695 119.220 119.950 -0.058 0.000 2.779 365 F HA 0.776 5.303 4.527 -0.000 0.000 0.316 365 F C -1.396 174.347 175.800 -0.096 0.000 1.164 365 F CA -1.596 56.348 58.000 -0.094 0.000 0.924 365 F CB 0.784 39.705 39.000 -0.131 0.000 1.348 365 F HN 0.368 nan 8.300 nan 0.000 0.467 366 A N -0.251 122.729 122.820 0.266 0.000 2.346 366 A HA 0.869 5.189 4.320 -0.000 0.000 0.313 366 A C -0.932 176.649 177.584 -0.005 0.000 1.140 366 A CA -0.776 51.316 52.037 0.092 0.000 0.826 366 A CB 1.432 20.466 19.000 0.056 0.000 1.332 366 A HN 0.921 nan 8.150 nan 0.000 0.457 367 T N 0.871 115.381 114.554 -0.075 0.000 3.298 367 T HA 0.505 4.855 4.350 -0.000 0.000 0.318 367 T C 0.121 174.826 174.700 0.008 0.000 1.165 367 T CA 0.349 62.397 62.100 -0.087 0.000 1.557 367 T CB 0.102 68.856 68.868 -0.190 0.000 0.898 367 T HN 2.249 nan 8.240 nan 0.000 0.585 368 G N 3.220 112.039 108.800 0.032 0.000 2.269 368 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.237 368 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.237 368 G C 0.338 175.331 174.900 0.156 0.000 0.761 368 G CA 0.470 45.615 45.100 0.075 0.000 1.141 368 G HN 0.771 nan 8.290 nan 0.000 0.319 369 D N -1.387 119.107 120.400 0.156 0.000 2.705 369 D HA -0.224 4.415 4.640 -0.000 0.000 0.187 369 D C 0.942 177.452 176.300 0.350 0.000 1.015 369 D CA 1.852 55.988 54.000 0.225 0.000 1.030 369 D CB -0.898 40.086 40.800 0.306 0.000 1.100 369 D HN 0.807 nan 8.370 nan 0.000 0.439 370 I N 2.203 122.943 120.570 0.284 0.000 2.307 370 I HA 0.145 4.314 4.170 -0.000 0.000 0.287 370 I C 0.065 176.325 176.117 0.239 0.000 1.054 370 I CA -0.371 61.110 61.300 0.303 0.000 1.218 370 I CB 0.968 39.116 38.000 0.246 0.000 1.398 370 I HN -0.242 nan 8.210 nan 0.000 0.475 371 D N 6.123 126.661 120.400 0.229 0.000 2.295 371 D HA 0.250 4.890 4.640 -0.000 0.000 0.248 371 D C -0.031 176.399 176.300 0.216 0.000 1.154 371 D CA 0.048 54.139 54.000 0.152 0.000 0.857 371 D CB 0.870 41.718 40.800 0.080 0.000 1.117 371 D HN 0.501 nan 8.370 nan 0.000 0.468 372 H N 0.442 119.435 119.070 -0.129 0.000 2.502 372 H HA 0.410 4.966 4.556 -0.000 0.000 0.338 372 H C -0.116 174.966 175.328 -0.409 0.000 1.155 372 H CA -0.532 55.331 56.048 -0.309 0.000 1.237 372 H CB 1.530 30.944 29.762 -0.581 0.000 1.534 372 H HN 0.145 nan 8.280 nan 0.000 0.523 373 T N 3.403 117.830 114.554 -0.213 0.000 3.209 373 T HA 0.104 4.454 4.350 -0.000 0.000 0.366 373 T C -0.686 173.920 174.700 -0.157 0.000 1.293 373 T CA -0.620 61.371 62.100 -0.182 0.000 1.417 373 T CB 0.054 68.863 68.868 -0.098 0.000 1.013 373 T HN 0.175 nan 8.240 nan 0.000 0.572 374 L N 3.914 125.018 121.223 -0.198 0.000 2.265 374 L HA 0.721 5.061 4.340 -0.000 0.000 0.288 374 L C -0.882 176.006 176.870 0.029 0.000 1.058 374 L CA -0.700 54.104 54.840 -0.059 0.000 0.809 374 L CB 0.683 42.747 42.059 0.009 0.000 1.179 374 L HN 0.481 nan 8.230 nan 0.000 0.429 375 L N 5.468 126.722 121.223 0.052 0.000 2.313 375 L HA 0.753 5.093 4.340 -0.000 0.000 0.283 375 L C -0.507 176.393 176.870 0.051 0.000 1.013 375 L CA 0.193 55.079 54.840 0.078 0.000 0.816 375 L CB 1.692 43.815 42.059 0.106 0.000 1.236 375 L HN 0.835 nan 8.230 nan 0.000 0.419 376 T N 1.552 116.109 114.554 0.003 0.000 2.928 376 T HA 0.931 5.281 4.350 -0.000 0.000 0.296 376 T C -0.327 174.235 174.700 -0.230 0.000 1.000 376 T CA -0.277 61.764 62.100 -0.098 0.000 0.989 376 T CB 1.447 70.321 68.868 0.010 0.000 1.005 376 T HN 0.966 nan 8.240 nan 0.000 0.442 377 G N 0.965 109.407 108.800 -0.596 0.000 2.623 377 G HA2 0.673 4.633 3.960 -0.000 0.000 0.290 377 G HA3 0.673 4.633 3.960 -0.000 0.000 0.290 377 G C -1.125 173.456 174.900 -0.533 0.000 1.437 377 G CA -0.293 44.488 45.100 -0.531 0.000 0.798 377 G HN 1.621 nan 8.290 nan 0.000 0.488 378 V N -1.375 118.499 119.914 -0.067 0.000 2.555 378 V HA 0.834 4.954 4.120 -0.000 0.000 0.302 378 V C -1.283 175.005 176.094 0.324 0.000 1.038 378 V CA -0.915 61.481 62.300 0.161 0.000 0.887 378 V CB 1.789 33.709 31.823 0.161 0.000 0.991 378 V HN 0.740 nan 8.190 nan 0.000 0.434 379 D N 3.150 123.807 120.400 0.428 0.000 2.375 379 D HA 0.669 5.309 4.640 -0.000 0.000 0.247 379 D C -1.167 175.376 176.300 0.405 0.000 1.061 379 D CA -0.227 54.004 54.000 0.386 0.000 0.834 379 D CB 1.864 42.871 40.800 0.345 0.000 1.247 379 D HN 0.616 nan 8.370 nan 0.000 0.489 385 N N 2.250 120.970 118.700 0.032 0.000 2.480 385 N HA 0.204 4.944 4.740 -0.000 0.000 0.289 385 N C -1.882 173.642 175.510 0.023 0.000 1.073 385 N CA -0.528 52.544 53.050 0.037 0.000 0.885 385 N CB 1.789 40.305 38.487 0.048 0.000 1.421 385 N HN 0.510 nan 8.380 nan 0.000 0.503 386 D N 3.771 124.189 120.400 0.031 0.000 2.274 386 D HA 0.346 4.986 4.640 -0.000 0.000 0.239 386 D C -0.512 175.801 176.300 0.022 0.000 1.104 386 D CA -0.156 53.851 54.000 0.012 0.000 0.840 386 D CB 0.819 41.633 40.800 0.023 0.000 1.100 386 D HN 0.526 nan 8.370 nan 0.000 0.477 387 I N 3.387 123.943 120.570 -0.023 0.000 2.433 387 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 387 I C 0.261 176.369 176.117 -0.015 0.000 1.001 387 I CA -0.658 60.643 61.300 0.001 0.000 1.119 387 I CB 1.682 39.626 38.000 -0.094 0.000 1.289 387 I HN 0.243 nan 8.210 nan 0.000 0.438 388 N N 5.678 124.422 118.700 0.074 0.000 2.648 388 N HA 0.668 5.408 4.740 -0.000 0.000 0.261 388 N C -1.427 174.189 175.510 0.175 0.000 1.138 388 N CA -0.123 52.983 53.050 0.092 0.000 0.804 388 N CB 1.101 39.638 38.487 0.083 0.000 1.237 388 N HN 0.766 nan 8.380 nan 0.000 0.532 389 A N 2.531 125.503 122.820 0.254 0.000 2.486 389 A HA 0.638 4.957 4.320 -0.000 0.000 0.289 389 A C -2.019 175.793 177.584 0.381 0.000 1.176 389 A CA -0.643 51.582 52.037 0.313 0.000 0.757 389 A CB 1.672 20.900 19.000 0.379 0.000 1.337 389 A HN 0.604 nan 8.150 nan 0.000 0.423 390 W N 1.017 122.392 121.300 0.126 0.000 2.781 390 W HA 0.646 5.306 4.660 -0.000 0.000 0.333 390 W C -2.564 173.902 176.519 -0.088 0.000 1.047 390 W CA -0.966 56.466 57.345 0.145 0.000 1.236 390 W CB 1.753 31.319 29.460 0.176 0.000 1.394 390 W HN 0.496 nan 8.180 nan 0.000 0.466 391 F N 3.141 122.955 119.950 -0.228 0.000 2.426 391 F HA 0.481 5.008 4.527 -0.000 0.000 0.348 391 F C 1.092 176.403 175.800 -0.816 0.000 1.124 391 F CA -0.508 57.267 58.000 -0.376 0.000 1.008 391 F CB 1.433 40.296 39.000 -0.229 0.000 1.139 391 F HN 0.325 nan 8.300 nan 0.000 0.452 392 G N 2.942 111.139 108.800 -1.006 0.000 2.390 392 G HA2 0.336 4.296 3.960 -0.000 0.000 0.270 392 G HA3 0.336 4.296 3.960 -0.000 0.000 0.270 392 G C -0.906 173.692 174.900 -0.504 0.000 1.211 392 G CA -0.064 44.465 45.100 -0.950 0.000 0.842 392 G HN 0.435 nan 8.290 nan 0.000 0.519 393 Y N 0.130 120.390 120.300 -0.067 0.000 2.684 393 Y HA 0.293 4.843 4.550 -0.000 0.000 0.373 393 Y C 1.092 176.932 175.900 -0.100 0.000 1.291 393 Y CA -1.248 56.798 58.100 -0.090 0.000 1.472 393 Y CB 0.047 38.482 38.460 -0.042 0.000 1.618 393 Y HN 0.338 nan 8.280 nan 0.000 0.674 394 D N 1.257 121.720 120.400 0.106 0.000 2.419 394 D HA -0.063 4.577 4.640 -0.000 0.000 0.236 394 D C 0.065 176.405 176.300 0.067 0.000 1.165 394 D CA 0.969 54.986 54.000 0.029 0.000 0.882 394 D CB 0.178 41.004 40.800 0.044 0.000 1.201 394 D HN 0.519 nan 8.370 nan 0.000 0.443 395 D N 0.042 120.468 120.400 0.044 0.000 3.018 395 D HA -0.219 4.421 4.640 -0.000 0.000 0.224 395 D C 1.241 177.604 176.300 0.106 0.000 1.185 395 D CA 1.179 55.217 54.000 0.064 0.000 0.858 395 D CB -1.280 39.559 40.800 0.064 0.000 1.112 395 D HN 0.455 nan 8.370 nan 0.000 0.415 396 S N -1.269 114.505 115.700 0.124 0.000 2.447 396 S HA 0.080 4.549 4.470 -0.000 0.000 0.233 396 S C 0.900 175.705 174.600 0.341 0.000 1.006 396 S CA 0.799 59.144 58.200 0.241 0.000 0.957 396 S CB 0.814 64.141 63.200 0.211 0.000 0.773 396 S HN 0.365 nan 8.310 nan 0.000 0.507 397 V N 1.121 121.166 119.914 0.218 0.000 2.971 397 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 397 V C -2.951 173.221 176.094 0.129 0.000 1.130 397 V CA -2.407 60.044 62.300 0.252 0.000 0.964 397 V CB 1.817 33.644 31.823 0.006 0.000 1.029 397 V HN 0.015 nan 8.190 nan 0.000 0.427 398 P HA 0.102 nan 4.420 nan 0.000 0.271 398 P C -0.528 176.820 177.300 0.081 0.000 1.212 398 P CA 0.341 63.495 63.100 0.090 0.000 0.788 398 P CB 0.312 32.069 31.700 0.094 0.000 0.865 399 L N 0.809 122.082 121.223 0.084 0.000 2.448 399 L HA 0.469 4.809 4.340 -0.000 0.000 0.258 399 L C 0.293 177.267 176.870 0.173 0.000 1.104 399 L CA -0.748 54.162 54.840 0.117 0.000 0.800 399 L CB 0.263 42.383 42.059 0.101 0.000 1.241 399 L HN 0.214 nan 8.230 nan 0.000 0.472 400 L N 1.196 122.551 121.223 0.220 0.000 2.386 400 L HA 0.383 4.723 4.340 -0.000 0.000 0.271 400 L C -0.424 176.572 176.870 0.209 0.000 0.993 400 L CA -0.572 54.402 54.840 0.224 0.000 0.819 400 L CB 2.090 44.284 42.059 0.226 0.000 1.294 400 L HN 0.546 nan 8.230 nan 0.000 0.414 401 N N 2.499 121.279 118.700 0.132 0.000 2.499 401 N HA 0.194 4.934 4.740 -0.000 0.000 0.281 401 N C 0.023 175.532 175.510 -0.002 0.000 1.098 401 N CA -0.297 52.670 53.050 -0.139 0.000 0.979 401 N CB 1.731 40.148 38.487 -0.116 0.000 1.121 401 N HN 0.448 nan 8.380 nan 0.000 0.466 402 L N 3.881 125.088 121.223 -0.027 0.000 2.640 402 L HA 0.158 4.498 4.340 -0.000 0.000 0.230 402 L C 1.374 178.247 176.870 0.004 0.000 1.123 402 L CA 0.102 54.925 54.840 -0.029 0.000 0.900 402 L CB -1.104 40.924 42.059 -0.052 0.000 1.146 402 L HN 0.624 nan 8.230 nan 0.000 0.484 403 Y N 0.528 120.806 120.300 -0.037 0.000 2.184 403 Y HA -0.201 4.349 4.550 -0.000 0.000 0.290 403 Y C 2.387 178.257 175.900 -0.051 0.000 1.129 403 Y CA 1.831 59.883 58.100 -0.079 0.000 1.144 403 Y CB -0.035 38.338 38.460 -0.145 0.000 0.995 403 Y HN 0.286 nan 8.280 nan 0.000 0.513 404 N N -0.166 118.629 118.700 0.158 0.000 2.132 404 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 404 N C -2.016 173.479 175.510 -0.025 0.000 1.015 404 N CA 0.559 53.670 53.050 0.102 0.000 0.864 404 N CB -0.707 37.916 38.487 0.227 0.000 1.006 404 N HN 0.164 nan 8.380 nan 0.000 0.430 405 P HA 0.008 nan 4.420 nan 0.000 0.263 405 P C -0.753 176.518 177.300 -0.049 0.000 1.345 405 P CA 0.236 63.409 63.100 0.122 0.000 1.119 405 P CB 0.628 32.279 31.700 -0.083 0.000 1.363 406 S N 1.569 117.207 115.700 -0.104 0.000 2.998 406 S HA 0.250 4.720 4.470 -0.000 0.000 0.307 406 S C 1.278 175.822 174.600 -0.092 0.000 1.063 406 S CA -0.262 57.843 58.200 -0.158 0.000 0.895 406 S CB 0.290 63.360 63.200 -0.216 0.000 1.362 406 S HN 0.342 nan 8.310 nan 0.000 0.657 407 H N 0.091 119.024 119.070 -0.228 0.000 2.387 407 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 407 H C 2.054 177.342 175.328 -0.067 0.000 1.099 407 H CA 2.684 58.606 56.048 -0.211 0.000 1.315 407 H CB -0.572 29.074 29.762 -0.194 0.000 1.380 407 H HN 0.814 nan 8.280 nan 0.000 0.513 408 H N -0.499 118.501 119.070 -0.117 0.000 2.423 408 H HA -0.009 4.547 4.556 -0.000 0.000 0.297 408 H C 0.362 175.754 175.328 0.107 0.000 1.075 408 H CA 1.352 57.335 56.048 -0.108 0.000 1.342 408 H CB -0.214 29.496 29.762 -0.086 0.000 1.395 408 H HN 0.559 nan 8.280 nan 0.000 0.530 409 H N -1.120 117.956 119.070 0.010 0.000 2.597 409 H HA 0.107 4.663 4.556 -0.000 0.000 0.370 409 H C 0.267 175.702 175.328 0.178 0.000 1.281 409 H CA 0.211 56.276 56.048 0.028 0.000 1.422 409 H CB 0.451 30.246 29.762 0.055 0.000 1.524 409 H HN 0.507 nan 8.280 nan 0.000 0.607 410 H N -0.552 118.698 119.070 0.300 0.000 3.257 410 H HA -0.185 4.371 4.556 -0.000 0.000 0.222 410 H C -0.007 175.517 175.328 0.326 0.000 1.143 410 H CA 0.909 57.286 56.048 0.549 0.000 1.152 410 H CB -1.328 28.408 29.762 -0.044 0.000 1.188 410 H HN 0.801 nan 8.280 nan 0.000 0.315 411 H N -0.535 118.580 119.070 0.075 0.000 3.627 411 H HA -0.000 4.556 4.556 -0.000 0.000 0.262 411 H C 1.045 176.264 175.328 -0.180 0.000 1.166 411 H CA 0.007 55.957 56.048 -0.163 0.000 1.122 411 H CB 0.806 30.439 29.762 -0.214 0.000 1.787 411 H HN 0.463 nan 8.280 nan 0.000 0.783 412 H N 0.137 119.176 119.070 -0.053 0.000 2.994 412 H HA 0.204 4.760 4.556 -0.000 0.000 0.374 412 H C 0.768 176.033 175.328 -0.105 0.000 1.305 412 H CA 1.473 57.467 56.048 -0.091 0.000 1.431 412 H CB 1.065 30.754 29.762 -0.122 0.000 1.399 412 H HN 0.509 nan 8.280 nan 0.000 0.609 413 G N -0.445 108.424 108.800 0.113 0.000 2.013 413 G HA2 0.044 4.004 3.960 -0.000 0.000 0.076 413 G HA3 0.044 4.004 3.960 -0.000 0.000 0.076 413 G C -0.803 174.009 174.900 -0.146 0.000 1.053 413 G CA 0.142 45.236 45.100 -0.009 0.000 1.230 413 G HN 1.290 nan 8.290 nan 0.000 0.431 414 S N -1.127 114.513 115.700 -0.099 0.000 3.634 414 S HA 0.094 4.564 4.470 -0.000 0.000 0.830 414 S C -0.040 174.536 174.600 -0.041 0.000 0.425 414 S CA 0.402 58.544 58.200 -0.096 0.000 1.429 414 S CB -1.133 61.917 63.200 -0.250 0.000 0.843 414 S HN 2.189 nan 8.310 nan 0.000 1.111 415 V N 3.479 123.387 119.914 -0.010 0.000 3.747 415 V HA 0.289 4.408 4.120 -0.000 0.000 0.299 415 V C 0.814 176.923 176.094 0.025 0.000 1.103 415 V CA 0.801 63.103 62.300 0.004 0.000 1.154 415 V CB 0.679 32.512 31.823 0.018 0.000 1.127 415 V HN 0.855 nan 8.190 nan 0.000 0.482 416 N N -0.071 118.649 118.700 0.033 0.000 3.223 416 N HA 0.503 5.243 4.740 -0.000 0.000 0.350 416 N C -0.652 174.891 175.510 0.056 0.000 1.425 416 N CA 0.280 53.361 53.050 0.053 0.000 0.668 416 N CB 0.445 38.964 38.487 0.054 0.000 1.435 416 N HN 0.907 nan 8.380 nan 0.000 0.569 417 T N -1.894 112.697 114.554 0.062 0.000 2.932 417 T HA 0.468 4.818 4.350 -0.000 0.000 0.289 417 T C -0.394 174.345 174.700 0.065 0.000 1.039 417 T CA -0.836 61.298 62.100 0.057 0.000 1.024 417 T CB 1.288 70.186 68.868 0.050 0.000 1.090 417 T HN 0.097 nan 8.240 nan 0.000 0.496 418 D N 0.246 120.680 120.400 0.055 0.000 2.325 418 D HA 0.317 4.957 4.640 -0.000 0.000 0.237 418 D C -0.680 175.653 176.300 0.055 0.000 1.328 418 D CA 0.344 54.383 54.000 0.066 0.000 0.918 418 D CB 0.255 41.079 40.800 0.039 0.000 1.156 418 D HN 0.568 nan 8.370 nan 0.000 0.485 419 F N -0.251 119.565 119.950 -0.224 0.000 2.619 419 F HA 0.154 4.680 4.527 -0.000 0.000 0.308 419 F C -1.202 174.278 175.800 -0.534 0.000 1.097 419 F CA -1.067 56.669 58.000 -0.439 0.000 0.953 419 F CB 1.812 40.392 39.000 -0.699 0.000 1.287 419 F HN 0.028 nan 8.300 nan 0.000 0.446 420 D N 4.339 123.967 120.400 -1.287 0.000 2.435 420 D HA 0.172 4.812 4.640 -0.000 0.000 0.230 420 D C 0.444 176.190 176.300 -0.924 0.000 1.215 420 D CA 0.183 53.666 54.000 -0.862 0.000 0.947 420 D CB -0.076 40.320 40.800 -0.673 0.000 1.048 420 D HN 0.406 nan 8.370 nan 0.000 0.512 421 F N 1.403 121.219 119.950 -0.224 0.000 2.407 421 F HA 0.023 4.549 4.527 -0.000 0.000 0.299 421 F C 1.620 177.290 175.800 -0.217 0.000 1.097 421 F CA 0.285 58.215 58.000 -0.116 0.000 1.422 421 F CB -0.280 38.713 39.000 -0.012 0.000 1.067 421 F HN 0.299 nan 8.300 nan 0.000 0.539 422 N N 0.241 118.889 118.700 -0.086 0.000 2.327 422 N HA 0.302 5.042 4.740 -0.000 0.000 0.257 422 N C 0.420 175.785 175.510 -0.242 0.000 1.281 422 N CA 0.629 53.595 53.050 -0.140 0.000 0.942 422 N CB 0.259 38.681 38.487 -0.108 0.000 1.199 422 N HN -0.012 nan 8.380 nan 0.000 0.532 423 A N 0.544 123.224 122.820 -0.233 0.000 1.867 423 A HA -0.192 4.127 4.320 -0.000 0.000 0.248 423 A C -0.235 177.177 177.584 -0.287 0.000 1.313 423 A CA 0.520 52.414 52.037 -0.239 0.000 0.732 423 A CB -1.377 17.510 19.000 -0.188 0.000 1.196 423 A HN 0.453 nan 8.150 nan 0.000 0.275 424 K N 2.262 122.406 120.400 -0.427 0.000 2.284 424 K HA 0.251 4.571 4.320 -0.000 0.000 0.287 424 K C -0.250 176.274 176.600 -0.126 0.000 1.081 424 K CA -0.577 55.461 56.287 -0.416 0.000 0.910 424 K CB 0.823 32.492 32.500 -1.385 0.000 1.088 424 K HN 0.548 nan 8.250 nan 0.000 0.478 425 D N 4.439 124.859 120.400 0.033 0.000 2.434 425 D HA 0.016 4.656 4.640 -0.000 0.000 0.252 425 D C -1.576 174.861 176.300 0.228 0.000 1.185 425 D CA -1.748 52.311 54.000 0.099 0.000 0.886 425 D CB 1.128 41.983 40.800 0.091 0.000 1.148 425 D HN 0.217 nan 8.370 nan 0.000 0.483 426 P HA -0.067 nan 4.420 nan 0.000 0.229 426 P C 0.469 177.916 177.300 0.245 0.000 1.150 426 P CA 0.807 64.076 63.100 0.282 0.000 0.765 426 P CB 0.343 32.166 31.700 0.205 0.000 0.783 427 A N 1.027 123.968 122.820 0.201 0.000 1.844 427 A HA -0.112 4.208 4.320 -0.000 0.000 0.212 427 A C 2.011 179.738 177.584 0.238 0.000 1.221 427 A CA 1.263 53.407 52.037 0.178 0.000 0.607 427 A CB -1.241 17.834 19.000 0.124 0.000 0.878 427 A HN 0.290 nan 8.150 nan 0.000 0.451 428 N N -0.151 118.690 118.700 0.236 0.000 2.463 428 N HA -0.025 4.714 4.740 -0.000 0.000 0.181 428 N C 0.500 176.153 175.510 0.239 0.000 1.078 428 N CA 0.920 54.125 53.050 0.259 0.000 0.902 428 N CB 0.046 38.654 38.487 0.202 0.000 0.970 428 N HN 0.483 nan 8.380 nan 0.000 0.451 429 S N -0.969 114.869 115.700 0.229 0.000 2.667 429 S HA 0.826 5.296 4.470 -0.000 0.000 0.292 429 S C -0.394 174.252 174.600 0.078 0.000 1.126 429 S CA -0.602 57.546 58.200 -0.086 0.000 0.881 429 S CB 2.243 65.734 63.200 0.484 0.000 1.132 429 S HN 0.241 nan 8.310 nan 0.000 0.492 430 G N 0.551 109.058 108.800 -0.487 0.000 2.718 430 G HA2 0.693 4.653 3.960 -0.000 0.000 0.295 430 G HA3 0.693 4.653 3.960 -0.000 0.000 0.295 430 G C -3.468 170.630 174.900 -1.337 0.000 1.421 430 G CA -1.502 43.310 45.100 -0.479 0.000 0.902 430 G HN 0.584 nan 8.290 nan 0.000 0.501 431 P HA 0.297 nan 4.420 nan 0.000 0.277 431 P C -1.748 175.409 177.300 -0.238 0.000 1.240 431 P CA -0.370 62.079 63.100 -1.085 0.000 0.798 431 P CB 1.556 32.791 31.700 -0.774 0.000 0.979 432 Y N 2.695 122.920 120.300 -0.125 0.000 2.322 432 Y HA 0.423 4.973 4.550 -0.000 0.000 0.324 432 Y C -0.603 175.306 175.900 0.015 0.000 1.027 432 Y CA -0.691 57.402 58.100 -0.012 0.000 1.179 432 Y CB 1.444 39.992 38.460 0.145 0.000 1.136 432 Y HN 0.272 nan 8.280 nan 0.000 0.449 433 R N 7.536 127.803 120.500 -0.389 0.000 2.500 433 R HA 0.622 4.962 4.340 -0.000 0.000 0.299 433 R C -1.550 174.494 176.300 -0.426 0.000 1.038 433 R CA -0.653 55.260 56.100 -0.312 0.000 0.903 433 R CB 1.659 31.890 30.300 -0.115 0.000 1.177 433 R HN 0.480 nan 8.270 nan 0.000 0.455 434 I N 3.281 123.569 120.570 -0.471 0.000 2.828 434 I HA 0.409 4.579 4.170 -0.000 0.000 0.302 434 I C -0.888 175.100 176.117 -0.216 0.000 1.101 434 I CA -1.104 59.966 61.300 -0.383 0.000 1.031 434 I CB 2.266 39.941 38.000 -0.541 0.000 1.231 434 I HN 0.423 nan 8.210 nan 0.000 0.427 435 L N 4.539 125.679 121.223 -0.139 0.000 2.345 435 L HA 0.464 4.804 4.340 -0.000 0.000 0.274 435 L C -0.829 176.010 176.870 -0.052 0.000 0.999 435 L CA 0.013 54.809 54.840 -0.073 0.000 0.849 435 L CB 0.605 42.639 42.059 -0.042 0.000 1.220 435 L HN 0.502 nan 8.230 nan 0.000 0.422 436 N N 4.503 123.179 118.700 -0.039 0.000 2.456 436 N HA 0.490 5.230 4.740 -0.000 0.000 0.288 436 N C -1.015 174.501 175.510 0.010 0.000 1.059 436 N CA -0.691 52.350 53.050 -0.014 0.000 0.946 436 N CB 1.253 39.735 38.487 -0.009 0.000 1.150 436 N HN 0.477 nan 8.380 nan 0.000 0.479 437 K N 1.879 122.292 120.400 0.021 0.000 2.328 437 K HA 0.447 4.767 4.320 -0.000 0.000 0.246 437 K C -1.024 175.601 176.600 0.042 0.000 0.955 437 K CA -0.692 55.617 56.287 0.037 0.000 0.817 437 K CB 2.187 34.714 32.500 0.044 0.000 1.208 437 K HN 0.461 nan 8.250 nan 0.000 0.432 438 Q N 1.310 121.137 119.800 0.046 0.000 2.353 438 Q HA 0.382 4.721 4.340 -0.000 0.000 0.275 438 Q C -1.615 174.416 176.000 0.051 0.000 1.029 438 Q CA -0.793 55.038 55.803 0.047 0.000 0.848 438 Q CB 2.992 31.743 28.738 0.021 0.000 1.390 438 Q HN 0.320 nan 8.270 nan 0.000 0.401 439 K N 1.849 122.298 120.400 0.082 0.000 2.525 439 K HA 0.426 4.746 4.320 -0.000 0.000 0.254 439 K C -1.615 175.075 176.600 0.150 0.000 0.934 439 K CA -0.611 55.740 56.287 0.107 0.000 0.802 439 K CB 2.858 35.481 32.500 0.205 0.000 1.295 439 K HN 0.530 nan 8.250 nan 0.000 0.433 440 Q N 1.470 121.351 119.800 0.135 0.000 2.284 440 Q HA 0.389 4.729 4.340 -0.000 0.000 0.269 440 Q C -1.736 174.466 176.000 0.337 0.000 1.026 440 Q CA -0.448 55.491 55.803 0.227 0.000 0.831 440 Q CB 2.429 31.261 28.738 0.156 0.000 1.322 440 Q HN 0.530 nan 8.270 nan 0.000 0.419 441 T N 2.164 117.002 114.554 0.473 0.000 2.879 441 T HA 0.786 5.136 4.350 -0.000 0.000 0.290 441 T C -0.776 174.269 174.700 0.575 0.000 0.993 441 T CA -0.456 61.981 62.100 0.562 0.000 0.975 441 T CB 1.486 70.675 68.868 0.536 0.000 0.981 441 T HN 0.681 nan 8.240 nan 0.000 0.439 442 G N 1.010 110.109 108.800 0.498 0.000 2.563 442 G HA2 0.693 4.653 3.960 -0.000 0.000 0.302 442 G HA3 0.693 4.653 3.960 -0.000 0.000 0.302 442 G C -0.994 174.203 174.900 0.497 0.000 1.301 442 G CA -0.825 44.561 45.100 0.477 0.000 0.965 442 G HN 0.876 nan 8.290 nan 0.000 0.480 443 V N -0.527 119.675 119.914 0.480 0.000 2.443 443 V HA 0.815 4.935 4.120 -0.000 0.000 0.293 443 V C -1.107 175.199 176.094 0.352 0.000 1.021 443 V CA -1.251 61.258 62.300 0.347 0.000 0.848 443 V CB 0.281 32.316 31.823 0.355 0.000 0.998 443 V HN 0.923 nan 8.190 nan 0.000 0.424 444 Y N 2.690 123.090 120.300 0.168 0.000 2.499 444 Y HA 0.948 5.498 4.550 -0.000 0.000 0.347 444 Y C -0.887 175.084 175.900 0.119 0.000 0.987 444 Y CA -1.939 56.238 58.100 0.128 0.000 1.044 444 Y CB 2.087 40.580 38.460 0.056 0.000 1.245 444 Y HN 0.436 nan 8.280 nan 0.000 0.461 445 V N 3.314 123.356 119.914 0.214 0.000 2.623 445 V HA 0.502 4.622 4.120 -0.000 0.000 0.304 445 V C -0.940 175.253 176.094 0.166 0.000 1.054 445 V CA -0.616 61.767 62.300 0.139 0.000 0.882 445 V CB 1.539 33.441 31.823 0.131 0.000 1.002 445 V HN 0.930 nan 8.190 nan 0.000 0.424 446 Q N 2.728 122.608 119.800 0.133 0.000 2.379 446 Q HA 0.671 5.011 4.340 -0.000 0.000 0.278 446 Q C -2.091 173.937 176.000 0.048 0.000 1.068 446 Q CA -0.623 55.239 55.803 0.099 0.000 0.816 446 Q CB 3.039 31.836 28.738 0.097 0.000 1.387 446 Q HN 0.825 nan 8.270 nan 0.000 0.413 447 D N 1.308 121.713 120.400 0.009 0.000 2.738 447 D HA 0.244 4.883 4.640 -0.000 0.000 0.237 447 D C -1.483 174.768 176.300 -0.082 0.000 1.123 447 D CA -0.222 53.742 54.000 -0.061 0.000 0.856 447 D CB 1.868 42.600 40.800 -0.114 0.000 1.552 447 D HN 0.435 nan 8.370 nan 0.000 0.480 448 Q N 1.905 121.642 119.800 -0.105 0.000 2.571 448 Q HA 0.600 4.940 4.340 -0.000 0.000 0.243 448 Q C -1.126 174.813 176.000 -0.102 0.000 1.055 448 Q CA -0.845 54.907 55.803 -0.086 0.000 0.815 448 Q CB 1.789 30.488 28.738 -0.065 0.000 1.151 448 Q HN 0.472 nan 8.270 nan 0.000 0.519 449 A N 2.693 125.440 122.820 -0.121 0.000 2.274 449 A HA 0.377 4.697 4.320 -0.000 0.000 0.309 449 A C -0.631 176.968 177.584 0.025 0.000 1.226 449 A CA -0.377 51.608 52.037 -0.086 0.000 0.853 449 A CB 0.875 19.738 19.000 -0.228 0.000 1.146 449 A HN 0.627 nan 8.150 nan 0.000 0.518 450 Q N 2.064 121.916 119.800 0.086 0.000 2.333 450 Q HA 0.325 4.665 4.340 -0.000 0.000 0.268 450 Q C -1.495 174.634 176.000 0.215 0.000 1.007 450 Q CA -0.487 55.379 55.803 0.106 0.000 0.810 450 Q CB 1.166 29.932 28.738 0.047 0.000 1.264 450 Q HN 0.805 nan 8.270 nan 0.000 0.452 451 W N 6.560 127.854 121.300 -0.009 0.000 1.948 451 W HA 0.258 4.918 4.660 -0.000 0.000 0.335 451 W C -0.955 175.541 176.519 -0.038 0.000 0.753 451 W CA -0.557 56.787 57.345 -0.001 0.000 2.601 451 W CB 0.008 29.478 29.460 0.017 0.000 2.143 451 W HN 0.693 nan 8.180 nan 0.000 0.636 452 D N 2.243 122.602 120.400 -0.068 0.000 5.070 452 D HA -0.246 4.393 4.640 -0.000 0.000 0.239 452 D C 0.787 176.944 176.300 -0.238 0.000 1.194 452 D CA 1.315 55.202 54.000 -0.187 0.000 1.284 452 D CB -0.248 40.369 40.800 -0.306 0.000 0.729 452 D HN 0.362 nan 8.370 nan 0.000 0.365 453 K N -1.665 118.608 120.400 -0.211 0.000 3.548 453 K HA -0.224 4.096 4.320 -0.000 0.000 0.310 453 K C -0.005 176.321 176.600 -0.457 0.000 1.282 453 K CA 1.399 57.485 56.287 -0.336 0.000 1.008 453 K CB -0.827 31.405 32.500 -0.446 0.000 1.265 453 K HN 0.393 nan 8.250 nan 0.000 0.430 454 V N 1.716 121.494 119.914 -0.227 0.000 2.289 454 V HA 0.356 4.476 4.120 -0.000 0.000 0.272 454 V C -0.798 175.324 176.094 0.048 0.000 1.026 454 V CA -0.769 61.484 62.300 -0.078 0.000 0.807 454 V CB 1.135 33.023 31.823 0.109 0.000 1.044 454 V HN 0.171 nan 8.190 nan 0.000 0.443 455 L N 5.949 127.185 121.223 0.022 0.000 2.275 455 L HA 0.707 5.047 4.340 -0.000 0.000 0.288 455 L C -0.401 176.487 176.870 0.030 0.000 1.046 455 L CA 0.124 54.980 54.840 0.027 0.000 0.805 455 L CB 1.677 43.736 42.059 0.000 0.000 1.193 455 L HN 0.388 nan 8.230 nan 0.000 0.426 456 V N 5.364 125.291 119.914 0.022 0.000 2.444 456 V HA 0.634 4.753 4.120 -0.000 0.000 0.294 456 V C -0.454 175.627 176.094 -0.022 0.000 1.022 456 V CA -0.002 62.301 62.300 0.006 0.000 0.850 456 V CB 1.930 33.769 31.823 0.026 0.000 0.992 456 V HN 0.942 nan 8.190 nan 0.000 0.426 457 T N 8.133 122.669 114.554 -0.029 0.000 2.824 457 T HA 0.781 5.131 4.350 -0.000 0.000 0.280 457 T C -0.851 173.859 174.700 0.015 0.000 0.995 457 T CA -0.312 61.772 62.100 -0.027 0.000 1.009 457 T CB 1.357 70.195 68.868 -0.050 0.000 0.955 457 T HN 0.783 nan 8.240 nan 0.000 0.452 458 L N 1.678 122.926 121.223 0.041 0.000 2.556 458 L HA 0.852 5.192 4.340 -0.000 0.000 0.257 458 L C -0.604 176.342 176.870 0.127 0.000 0.955 458 L CA 0.187 55.102 54.840 0.125 0.000 0.850 458 L CB 1.891 44.029 42.059 0.133 0.000 1.398 458 L HN 0.916 nan 8.230 nan 0.000 0.412 459 G N 0.887 109.812 108.800 0.207 0.000 2.328 459 G HA2 0.633 4.593 3.960 -0.000 0.000 0.295 459 G HA3 0.633 4.593 3.960 -0.000 0.000 0.295 459 G C -1.411 173.643 174.900 0.255 0.000 1.413 459 G CA -0.011 45.205 45.100 0.194 0.000 0.817 459 G HN 1.168 nan 8.290 nan 0.000 0.546 460 G N -1.229 107.710 108.800 0.232 0.000 2.649 460 G HA2 0.869 4.828 3.960 -0.000 0.000 0.290 460 G HA3 0.869 4.828 3.960 -0.000 0.000 0.290 460 G C -1.366 173.624 174.900 0.151 0.000 1.426 460 G CA -0.402 44.789 45.100 0.152 0.000 0.794 460 G HN 0.939 nan 8.290 nan 0.000 0.483 461 R N -1.112 119.368 120.500 -0.033 0.000 2.643 461 R HA 0.574 4.914 4.340 -0.000 0.000 0.269 461 R C -2.365 174.040 176.300 0.175 0.000 1.037 461 R CA -0.852 55.345 56.100 0.161 0.000 0.894 461 R CB 2.000 32.374 30.300 0.124 0.000 1.238 461 R HN 0.597 nan 8.270 nan 0.000 0.459 462 Y N 2.351 122.752 120.300 0.168 0.000 2.350 462 Y HA 0.445 4.995 4.550 -0.000 0.000 0.338 462 Y C -1.153 174.670 175.900 -0.127 0.000 0.961 462 Y CA -0.482 57.629 58.100 0.017 0.000 1.100 462 Y CB 1.789 40.222 38.460 -0.045 0.000 1.179 462 Y HN 0.599 nan 8.280 nan 0.000 0.454 463 D N 4.740 124.739 120.400 -0.668 0.000 2.342 463 D HA 0.196 4.836 4.640 -0.000 0.000 0.243 463 D C -1.189 174.745 176.300 -0.610 0.000 1.019 463 D CA -0.243 53.544 54.000 -0.355 0.000 0.864 463 D CB 1.615 42.383 40.800 -0.053 0.000 1.315 463 D HN 0.595 nan 8.370 nan 0.000 0.468 464 W N 1.588 122.909 121.300 0.035 0.000 2.394 464 W HA 0.433 5.093 4.660 -0.000 0.000 0.312 464 W C -0.548 176.039 176.519 0.113 0.000 0.981 464 W CA -0.803 56.582 57.345 0.067 0.000 1.519 464 W CB 1.220 30.770 29.460 0.150 0.000 1.304 464 W HN 0.291 nan 8.180 nan 0.000 0.412 465 A N 3.416 126.357 122.820 0.202 0.000 2.506 465 A HA 0.409 4.728 4.320 -0.000 0.000 0.320 465 A C -0.316 177.385 177.584 0.194 0.000 1.424 465 A CA -0.180 51.993 52.037 0.227 0.000 1.044 465 A CB 0.113 19.285 19.000 0.287 0.000 1.140 465 A HN 0.332 nan 8.150 nan 0.000 0.538 466 D N 2.023 122.541 120.400 0.197 0.000 2.256 466 D HA 0.472 5.111 4.640 -0.000 0.000 0.246 466 D C 0.020 176.395 176.300 0.124 0.000 1.042 466 D CA 0.003 54.100 54.000 0.161 0.000 0.841 466 D CB 1.665 42.569 40.800 0.174 0.000 1.223 466 D HN 0.765 nan 8.370 nan 0.000 0.470 467 Q N -0.244 119.616 119.800 0.101 0.000 2.495 467 Q HA 0.713 5.053 4.340 -0.000 0.000 0.287 467 Q C -1.202 174.835 176.000 0.062 0.000 1.078 467 Q CA -1.013 54.837 55.803 0.078 0.000 0.793 467 Q CB 3.048 31.830 28.738 0.072 0.000 1.459 467 Q HN 0.330 nan 8.270 nan 0.000 0.422 468 E N 0.833 121.062 120.200 0.048 0.000 2.406 468 E HA 0.313 4.663 4.350 -0.000 0.000 0.297 468 E C -2.012 174.600 176.600 0.019 0.000 0.917 468 E CA -0.308 56.113 56.400 0.034 0.000 0.795 468 E CB 2.235 31.958 29.700 0.037 0.000 1.285 468 E HN 0.605 nan 8.360 nan 0.000 0.400 469 S N 4.429 120.134 115.700 0.008 0.000 2.502 469 S HA 0.621 5.091 4.470 -0.000 0.000 0.304 469 S C -1.407 173.178 174.600 -0.026 0.000 1.097 469 S CA -0.731 57.461 58.200 -0.013 0.000 1.045 469 S CB 1.049 64.241 63.200 -0.013 0.000 1.019 469 S HN 0.492 nan 8.310 nan 0.000 0.481 470 L N 5.191 126.388 121.223 -0.045 0.000 2.313 470 L HA 0.603 4.943 4.340 -0.000 0.000 0.283 470 L C -0.479 176.338 176.870 -0.088 0.000 1.013 470 L CA -0.282 54.528 54.840 -0.050 0.000 0.816 470 L CB 1.521 43.558 42.059 -0.037 0.000 1.236 470 L HN 0.700 nan 8.230 nan 0.000 0.419 471 N N 4.314 122.964 118.700 -0.083 0.000 2.558 471 N HA 0.194 4.934 4.740 -0.000 0.000 0.233 471 N C 0.579 176.034 175.510 -0.092 0.000 1.038 471 N CA -0.149 52.829 53.050 -0.120 0.000 0.934 471 N CB 0.697 39.131 38.487 -0.088 0.000 1.175 471 N HN 0.696 nan 8.380 nan 0.000 0.512 472 R N 1.506 121.943 120.500 -0.105 0.000 2.371 472 R HA -0.077 4.263 4.340 -0.000 0.000 0.226 472 R C 1.010 177.283 176.300 -0.046 0.000 1.132 472 R CA 0.857 56.919 56.100 -0.064 0.000 1.027 472 R CB 0.274 30.538 30.300 -0.060 0.000 0.848 472 R HN 0.359 nan 8.270 nan 0.000 0.479 473 V N -1.160 118.719 119.914 -0.057 0.000 2.854 473 V HA 0.087 4.207 4.120 -0.000 0.000 0.236 473 V C 1.826 177.907 176.094 -0.022 0.000 1.157 473 V CA 1.190 63.470 62.300 -0.032 0.000 1.187 473 V CB 0.098 31.898 31.823 -0.038 0.000 0.949 473 V HN 0.232 nan 8.190 nan 0.000 0.488 474 A N 0.183 122.986 122.820 -0.028 0.000 2.235 474 A HA 0.309 4.628 4.320 -0.000 0.000 0.208 474 A C 2.031 179.606 177.584 -0.015 0.000 1.172 474 A CA 1.051 53.078 52.037 -0.016 0.000 0.786 474 A CB -0.973 18.020 19.000 -0.013 0.000 0.804 474 A HN 1.259 nan 8.150 nan 0.000 0.479 475 G N -0.008 108.780 108.800 -0.020 0.000 2.200 475 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.267 475 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.267 475 G C 0.600 175.491 174.900 -0.014 0.000 0.993 475 G CA 1.294 46.384 45.100 -0.016 0.000 0.701 475 G HN 1.439 nan 8.290 nan 0.000 0.524 476 T N -2.515 112.029 114.554 -0.017 0.000 2.849 476 T HA 0.611 4.961 4.350 -0.000 0.000 0.284 476 T C 0.014 174.705 174.700 -0.015 0.000 1.004 476 T CA 0.401 62.494 62.100 -0.012 0.000 1.021 476 T CB 2.133 70.998 68.868 -0.006 0.000 1.013 476 T HN 0.408 nan 8.240 nan 0.000 0.527 477 T N 2.275 116.824 114.554 -0.009 0.000 3.089 477 T HA 0.283 4.633 4.350 -0.000 0.000 0.340 477 T C -1.247 173.452 174.700 -0.002 0.000 1.008 477 T CA -0.728 61.367 62.100 -0.007 0.000 1.096 477 T CB 0.521 69.387 68.868 -0.003 0.000 1.024 477 T HN 0.646 nan 8.240 nan 0.000 0.477 478 D N 3.236 123.635 120.400 -0.002 0.000 2.256 478 D HA 0.472 5.112 4.640 -0.000 0.000 0.250 478 D C -0.004 176.303 176.300 0.011 0.000 1.093 478 D CA -0.228 53.773 54.000 0.001 0.000 0.882 478 D CB 1.689 42.489 40.800 0.000 0.000 1.185 478 D HN 0.404 nan 8.370 nan 0.000 0.437 479 K N 1.516 121.925 120.400 0.015 0.000 2.532 479 K HA 0.609 4.929 4.320 -0.000 0.000 0.265 479 K C -0.572 176.048 176.600 0.035 0.000 0.948 479 K CA -0.914 55.391 56.287 0.030 0.000 0.842 479 K CB 3.281 35.800 32.500 0.032 0.000 1.392 479 K HN 0.202 nan 8.250 nan 0.000 0.436 480 R N 1.482 122.013 120.500 0.053 0.000 2.579 480 R HA 0.198 4.537 4.340 -0.000 0.000 0.260 480 R C -1.914 174.436 176.300 0.084 0.000 1.103 480 R CA -0.512 55.625 56.100 0.061 0.000 0.942 480 R CB 1.570 31.905 30.300 0.059 0.000 1.251 480 R HN 0.691 nan 8.270 nan 0.000 0.450 481 D N 2.812 123.267 120.400 0.090 0.000 2.471 481 D HA 0.259 4.899 4.640 -0.000 0.000 0.245 481 D C -1.095 175.265 176.300 0.100 0.000 1.116 481 D CA -0.262 53.810 54.000 0.119 0.000 0.853 481 D CB 1.864 42.749 40.800 0.141 0.000 1.123 481 D HN 0.342 nan 8.370 nan 0.000 0.540 482 D N 1.560 122.009 120.400 0.083 0.000 2.177 482 D HA 0.273 4.913 4.640 -0.000 0.000 0.247 482 D C 0.003 176.229 176.300 -0.123 0.000 1.063 482 D CA -0.209 53.789 54.000 -0.004 0.000 0.867 482 D CB 2.028 42.834 40.800 0.010 0.000 1.168 482 D HN 0.061 nan 8.370 nan 0.000 0.445 483 K N 2.122 122.378 120.400 -0.240 0.000 2.376 483 K HA 0.409 4.728 4.320 -0.000 0.000 0.257 483 K C -0.642 175.554 176.600 -0.672 0.000 0.939 483 K CA -0.734 55.232 56.287 -0.536 0.000 0.809 483 K CB 2.129 34.489 32.500 -0.234 0.000 1.121 483 K HN 0.194 nan 8.250 nan 0.000 0.425 484 Q N 2.192 121.334 119.800 -1.097 0.000 2.377 484 Q HA 0.462 4.802 4.340 -0.000 0.000 0.279 484 Q C -2.040 173.471 176.000 -0.815 0.000 1.049 484 Q CA -0.722 54.531 55.803 -0.918 0.000 0.825 484 Q CB 1.548 29.450 28.738 -1.393 0.000 1.401 484 Q HN 0.516 nan 8.270 nan 0.000 0.404 485 F N 1.710 121.400 119.950 -0.433 0.000 2.508 485 F HA 0.856 5.383 4.527 -0.000 0.000 0.325 485 F C -1.043 174.763 175.800 0.010 0.000 1.090 485 F CA -0.185 57.755 58.000 -0.100 0.000 0.945 485 F CB 1.961 41.059 39.000 0.165 0.000 1.156 485 F HN 0.545 nan 8.300 nan 0.000 0.463 486 T N 3.331 117.365 114.554 -0.866 0.000 2.956 486 T HA 0.569 4.918 4.350 -0.000 0.000 0.312 486 T C -1.418 172.862 174.700 -0.701 0.000 1.151 486 T CA -0.766 60.996 62.100 -0.563 0.000 1.024 486 T CB 1.560 70.286 68.868 -0.237 0.000 1.140 486 T HN 0.842 nan 8.240 nan 0.000 0.473 487 W N 1.630 122.620 121.300 -0.517 0.000 3.029 487 W HA 0.835 5.495 4.660 -0.000 0.000 0.339 487 W C -1.579 174.863 176.519 -0.127 0.000 1.198 487 W CA -1.268 55.910 57.345 -0.278 0.000 1.148 487 W CB 1.628 31.053 29.460 -0.057 0.000 1.451 487 W HN 1.047 nan 8.180 nan 0.000 0.564 488 R N 1.036 121.467 120.500 -0.115 0.000 2.651 488 R HA 0.628 4.967 4.340 -0.000 0.000 0.278 488 R C -1.241 175.086 176.300 0.045 0.000 1.010 488 R CA -0.417 55.476 56.100 -0.344 0.000 0.896 488 R CB 1.896 32.029 30.300 -0.278 0.000 1.211 488 R HN 0.885 nan 8.270 nan 0.000 0.456 489 G N 0.908 109.722 108.800 0.022 0.000 2.687 489 G HA2 0.670 4.630 3.960 -0.000 0.000 0.301 489 G HA3 0.670 4.630 3.960 -0.000 0.000 0.301 489 G C -1.245 173.698 174.900 0.073 0.000 1.416 489 G CA -0.590 44.652 45.100 0.236 0.000 1.005 489 G HN 0.766 nan 8.290 nan 0.000 0.509 490 G N -0.944 107.840 108.800 -0.028 0.000 2.692 490 G HA2 0.704 4.664 3.960 -0.000 0.000 0.291 490 G HA3 0.704 4.664 3.960 -0.000 0.000 0.291 490 G C -1.804 172.935 174.900 -0.269 0.000 1.423 490 G CA -0.563 44.408 45.100 -0.215 0.000 0.843 490 G HN 1.091 nan 8.290 nan 0.000 0.486 491 V N 0.419 120.041 119.914 -0.487 0.000 2.760 491 V HA 0.535 4.655 4.120 -0.000 0.000 0.309 491 V C -1.129 174.933 176.094 -0.052 0.000 1.077 491 V CA -1.130 61.027 62.300 -0.239 0.000 0.910 491 V CB 2.244 33.956 31.823 -0.186 0.000 1.008 491 V HN 0.701 nan 8.190 nan 0.000 0.424 492 N N 1.971 120.712 118.700 0.068 0.000 2.448 492 N HA 0.399 5.139 4.740 -0.000 0.000 0.279 492 N C -1.287 174.349 175.510 0.211 0.000 1.025 492 N CA -0.471 52.679 53.050 0.167 0.000 0.898 492 N CB 1.500 40.033 38.487 0.077 0.000 1.303 492 N HN 0.757 nan 8.380 nan 0.000 0.495 493 Y N 3.024 123.449 120.300 0.209 0.000 2.636 493 Y HA 0.300 4.849 4.550 -0.000 0.000 0.341 493 Y C -0.303 175.767 175.900 0.284 0.000 1.169 493 Y CA -0.801 57.446 58.100 0.245 0.000 1.498 493 Y CB 0.136 38.783 38.460 0.311 0.000 1.362 493 Y HN 0.456 nan 8.280 nan 0.000 0.494 494 L N 6.794 128.092 121.223 0.125 0.000 2.623 494 L HA 0.094 4.433 4.340 -0.000 0.000 0.281 494 L C -0.129 176.879 176.870 0.231 0.000 1.150 494 L CA 0.430 55.366 54.840 0.159 0.000 0.965 494 L CB -1.180 40.900 42.059 0.035 0.000 1.303 494 L HN 0.493 nan 8.230 nan 0.000 0.467 495 F N 2.345 122.403 119.950 0.179 0.000 1.995 495 F HA -0.018 4.509 4.527 -0.000 0.000 0.290 495 F C 1.549 177.404 175.800 0.091 0.000 1.441 495 F CA 1.655 59.772 58.000 0.195 0.000 1.155 495 F CB 0.079 39.205 39.000 0.209 0.000 1.108 495 F HN 0.742 nan 8.300 nan 0.000 0.540 496 D N -4.138 116.470 120.400 0.347 0.000 1.996 496 D HA -0.029 4.611 4.640 -0.000 0.000 0.613 496 D C 0.599 177.010 176.300 0.184 0.000 0.806 496 D CA 0.273 54.375 54.000 0.171 0.000 1.127 496 D CB -1.011 39.840 40.800 0.084 0.000 1.417 496 D HN 0.268 nan 8.370 nan 0.000 0.450 497 N N 1.217 120.085 118.700 0.280 0.000 2.467 497 N HA 0.164 4.904 4.740 -0.000 0.000 0.184 497 N C 1.553 177.227 175.510 0.274 0.000 1.106 497 N CA 1.319 54.517 53.050 0.246 0.000 0.892 497 N CB 0.858 39.505 38.487 0.266 0.000 0.969 497 N HN 0.441 nan 8.380 nan 0.000 0.454 498 G N 0.381 109.327 108.800 0.243 0.000 2.561 498 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.203 498 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.203 498 G C -0.005 175.038 174.900 0.238 0.000 1.101 498 G CA -0.081 45.118 45.100 0.164 0.000 0.711 498 G HN 0.682 nan 8.290 nan 0.000 0.511 499 V N 1.011 121.097 119.914 0.287 0.000 2.681 499 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 499 V C 0.164 176.309 176.094 0.086 0.000 1.077 499 V CA 1.203 63.572 62.300 0.114 0.000 1.224 499 V CB 0.799 32.505 31.823 -0.195 0.000 0.879 499 V HN 0.742 nan 8.190 nan 0.000 0.494 500 T N 6.933 121.567 114.554 0.132 0.000 3.226 500 T HA 0.410 4.760 4.350 -0.000 0.000 0.378 500 T C -2.569 172.280 174.700 0.249 0.000 1.380 500 T CA -0.757 61.465 62.100 0.203 0.000 1.396 500 T CB 1.103 70.075 68.868 0.173 0.000 1.044 500 T HN 0.655 nan 8.240 nan 0.000 0.586 501 P HA 0.313 nan 4.420 nan 0.000 0.269 501 P C -1.027 176.476 177.300 0.337 0.000 1.215 501 P CA -0.136 63.078 63.100 0.189 0.000 0.780 501 P CB 0.275 32.043 31.700 0.113 0.000 0.898 502 Y N 0.934 121.341 120.300 0.178 0.000 2.677 502 Y HA 0.756 5.306 4.550 -0.000 0.000 0.334 502 Y C -1.905 174.147 175.900 0.254 0.000 1.196 502 Y CA -1.681 56.517 58.100 0.164 0.000 1.059 502 Y CB 0.911 39.410 38.460 0.065 0.000 1.315 502 Y HN 0.421 nan 8.280 nan 0.000 0.455 503 F N 0.315 120.378 119.950 0.188 0.000 2.703 503 F HA 0.872 5.399 4.527 -0.000 0.000 0.308 503 F C -1.477 174.469 175.800 0.243 0.000 1.126 503 F CA -0.357 57.706 58.000 0.105 0.000 0.959 503 F CB 1.631 40.671 39.000 0.067 0.000 1.297 503 F HN 1.131 nan 8.300 nan 0.000 0.441 504 S N 1.542 117.396 115.700 0.257 0.000 2.587 504 S HA 0.649 5.119 4.470 -0.000 0.000 0.269 504 S C -2.342 172.396 174.600 0.229 0.000 1.154 504 S CA -0.795 57.475 58.200 0.116 0.000 0.824 504 S CB 1.817 65.028 63.200 0.019 0.000 1.118 504 S HN 1.436 nan 8.310 nan 0.000 0.462 505 Y N 1.046 121.337 120.300 -0.016 0.000 2.364 505 Y HA 0.780 5.330 4.550 -0.000 0.000 0.340 505 Y C -0.366 175.287 175.900 -0.413 0.000 0.975 505 Y CA -0.260 57.721 58.100 -0.199 0.000 1.089 505 Y CB 1.987 40.350 38.460 -0.162 0.000 1.192 505 Y HN 1.035 nan 8.280 nan 0.000 0.454 506 S N 4.073 119.028 115.700 -1.241 0.000 2.595 506 S HA 0.701 5.170 4.470 -0.000 0.000 0.281 506 S C -1.716 172.207 174.600 -1.128 0.000 1.117 506 S CA -0.669 56.917 58.200 -1.024 0.000 0.873 506 S CB 1.383 64.249 63.200 -0.556 0.000 1.108 506 S HN 0.786 nan 8.310 nan 0.000 0.477 507 E N 0.683 120.412 120.200 -0.786 0.000 2.383 507 E HA 0.634 4.984 4.350 -0.000 0.000 0.275 507 E C -1.500 174.896 176.600 -0.340 0.000 0.918 507 E CA -0.946 55.126 56.400 -0.547 0.000 0.764 507 E CB 2.107 31.521 29.700 -0.476 0.000 1.252 507 E HN 0.632 nan 8.360 nan 0.000 0.449 508 S N 0.677 116.236 115.700 -0.235 0.000 2.607 508 S HA 0.805 5.275 4.470 -0.000 0.000 0.273 508 S C -1.247 173.333 174.600 -0.033 0.000 1.148 508 S CA -0.981 57.122 58.200 -0.163 0.000 0.833 508 S CB 1.149 64.199 63.200 -0.251 0.000 1.130 508 S HN 0.559 nan 8.310 nan 0.000 0.470 509 F N -0.550 119.307 119.950 -0.155 0.000 2.591 509 F HA 0.859 5.386 4.527 -0.000 0.000 0.309 509 F C -0.934 174.811 175.800 -0.091 0.000 1.098 509 F CA -0.714 57.217 58.000 -0.115 0.000 0.937 509 F CB 1.757 40.696 39.000 -0.103 0.000 1.250 509 F HN 0.855 nan 8.300 nan 0.000 0.447 510 E N 4.893 125.027 120.200 -0.110 0.000 2.316 510 E HA 0.480 4.830 4.350 -0.000 0.000 0.254 510 E C -3.023 173.593 176.600 0.026 0.000 0.902 510 E CA -2.325 53.968 56.400 -0.180 0.000 0.801 510 E CB 2.119 31.723 29.700 -0.161 0.000 1.270 510 E HN 0.401 nan 8.360 nan 0.000 0.414 511 P HA -0.007 nan 4.420 nan 0.000 0.270 511 P C -0.947 176.416 177.300 0.105 0.000 1.223 511 P CA -0.122 63.063 63.100 0.142 0.000 0.785 511 P CB 1.064 32.858 31.700 0.158 0.000 0.923 512 S N 0.214 116.000 115.700 0.144 0.000 2.593 512 S HA 0.412 4.882 4.470 -0.000 0.000 0.297 512 S C 0.840 175.537 174.600 0.161 0.000 1.112 512 S CA -0.109 58.193 58.200 0.170 0.000 1.043 512 S CB 0.472 63.836 63.200 0.273 0.000 1.054 512 S HN 0.419 nan 8.310 nan 0.000 0.516 513 S N 2.194 117.988 115.700 0.157 0.000 2.559 513 S HA 0.280 4.749 4.470 -0.000 0.000 0.226 513 S C 0.133 174.820 174.600 0.145 0.000 1.000 513 S CA -0.482 57.792 58.200 0.124 0.000 0.948 513 S CB 0.008 63.268 63.200 0.100 0.000 0.870 513 S HN 0.663 nan 8.310 nan 0.000 0.497 514 Q N 1.556 121.501 119.800 0.242 0.000 2.354 514 Q HA 0.472 4.812 4.340 -0.000 0.000 0.244 514 Q C -0.570 175.473 176.000 0.071 0.000 0.969 514 Q CA -0.213 55.768 55.803 0.296 0.000 0.885 514 Q CB 1.689 30.753 28.738 0.543 0.000 1.241 514 Q HN 0.245 nan 8.270 nan 0.000 0.461 515 V N 1.034 120.932 119.914 -0.026 0.000 2.513 515 V HA 0.738 4.858 4.120 -0.000 0.000 0.299 515 V C 0.160 176.024 176.094 -0.384 0.000 1.035 515 V CA -0.262 61.865 62.300 -0.288 0.000 0.889 515 V CB 1.596 33.395 31.823 -0.041 0.000 0.988 515 V HN 0.834 nan 8.190 nan 0.000 0.440 516 G N 3.807 112.074 108.800 -0.889 0.000 2.563 516 G HA2 0.216 4.176 3.960 -0.000 0.000 0.283 516 G HA3 0.216 4.176 3.960 -0.000 0.000 0.283 516 G C 0.503 175.023 174.900 -0.633 0.000 1.309 516 G CA -0.043 44.743 45.100 -0.523 0.000 1.022 516 G HN 0.895 nan 8.290 nan 0.000 0.501 517 K N -0.310 119.579 120.400 -0.852 0.000 2.152 517 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 517 K C 1.510 177.679 176.600 -0.718 0.000 1.048 517 K CA 1.616 57.054 56.287 -1.414 0.000 0.933 517 K CB -0.017 32.080 32.500 -0.672 0.000 0.721 517 K HN 0.638 nan 8.250 nan 0.000 0.447 518 D N -0.310 119.845 120.400 -0.409 0.000 2.395 518 D HA -0.021 4.619 4.640 -0.000 0.000 0.250 518 D C 0.599 176.768 176.300 -0.220 0.000 1.203 518 D CA 0.721 54.574 54.000 -0.246 0.000 0.872 518 D CB -0.601 40.105 40.800 -0.156 0.000 0.941 518 D HN 0.326 nan 8.370 nan 0.000 0.504 519 G N 0.684 109.324 108.800 -0.266 0.000 2.416 519 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.301 519 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.301 519 G C -0.301 174.517 174.900 -0.136 0.000 0.985 519 G CA 0.285 45.294 45.100 -0.152 0.000 0.934 519 G HN 0.584 nan 8.290 nan 0.000 0.513 520 N N -0.879 117.699 118.700 -0.204 0.000 2.225 520 N HA 0.474 5.214 4.740 -0.000 0.000 0.298 520 N C 0.142 175.486 175.510 -0.277 0.000 1.076 520 N CA -1.320 51.623 53.050 -0.178 0.000 0.792 520 N CB 1.244 39.653 38.487 -0.130 0.000 1.498 520 N HN -0.074 nan 8.380 nan 0.000 0.474 521 I N 2.457 122.930 120.570 -0.162 0.000 2.710 521 I HA 0.007 4.177 4.170 -0.000 0.000 0.286 521 I C 0.463 176.516 176.117 -0.107 0.000 1.181 521 I CA 0.487 61.707 61.300 -0.133 0.000 1.430 521 I CB -0.584 37.414 38.000 -0.003 0.000 1.367 521 I HN 0.398 nan 8.210 nan 0.000 0.577 522 F N 3.836 123.825 119.950 0.064 0.000 2.485 522 F HA 0.309 4.836 4.527 -0.000 0.000 0.327 522 F C 1.144 176.979 175.800 0.058 0.000 1.203 522 F CA -0.167 57.870 58.000 0.060 0.000 1.295 522 F CB 0.191 39.234 39.000 0.071 0.000 1.191 522 F HN 0.553 nan 8.300 nan 0.000 0.588 523 A N 1.939 124.927 122.820 0.280 0.000 2.313 523 A HA 0.517 4.837 4.320 -0.000 0.000 0.261 523 A C -2.390 175.292 177.584 0.164 0.000 1.090 523 A CA -1.423 50.715 52.037 0.169 0.000 0.807 523 A CB -0.472 18.604 19.000 0.127 0.000 1.055 523 A HN 0.470 nan 8.150 nan 0.000 0.492 524 P HA 0.207 nan 4.420 nan 0.000 0.272 524 P C -0.206 177.159 177.300 0.109 0.000 1.230 524 P CA -0.124 63.066 63.100 0.150 0.000 0.788 524 P CB 0.761 32.595 31.700 0.223 0.000 0.949 525 S N 0.805 116.554 115.700 0.081 0.000 2.693 525 S HA 0.598 5.067 4.470 -0.000 0.000 0.276 525 S C -0.321 174.299 174.600 0.034 0.000 1.192 525 S CA -0.649 57.573 58.200 0.037 0.000 0.994 525 S CB 1.174 64.377 63.200 0.005 0.000 1.012 525 S HN 0.282 nan 8.310 nan 0.000 0.550 526 K N -0.820 119.576 120.400 -0.006 0.000 2.433 526 K HA 0.691 5.011 4.320 -0.000 0.000 0.252 526 K C -0.659 175.871 176.600 -0.116 0.000 1.015 526 K CA -1.016 55.257 56.287 -0.023 0.000 0.860 526 K CB 2.252 34.760 32.500 0.013 0.000 1.359 526 K HN 0.823 nan 8.250 nan 0.000 0.452 527 G N 1.281 109.988 108.800 -0.155 0.000 2.590 527 G HA2 0.510 4.469 3.960 -0.000 0.000 0.310 527 G HA3 0.510 4.469 3.960 -0.000 0.000 0.310 527 G C -1.155 173.590 174.900 -0.258 0.000 1.347 527 G CA -0.500 44.450 45.100 -0.250 0.000 0.963 527 G HN 0.182 nan 8.290 nan 0.000 0.494 528 K N 1.937 122.187 120.400 -0.249 0.000 2.613 528 K HA 0.338 4.658 4.320 -0.000 0.000 0.248 528 K C -0.922 175.493 176.600 -0.308 0.000 0.959 528 K CA -0.585 55.528 56.287 -0.290 0.000 0.855 528 K CB 2.545 34.995 32.500 -0.084 0.000 1.143 528 K HN 0.731 nan 8.250 nan 0.000 0.437 529 Q N 2.742 122.252 119.800 -0.484 0.000 2.356 529 Q HA 0.421 4.760 4.340 -0.000 0.000 0.270 529 Q C -1.441 174.353 176.000 -0.344 0.000 1.058 529 Q CA -0.752 54.873 55.803 -0.298 0.000 0.802 529 Q CB 1.409 30.007 28.738 -0.234 0.000 1.303 529 Q HN 0.448 nan 8.270 nan 0.000 0.444 530 Y N 1.667 122.039 120.300 0.120 0.000 2.328 530 Y HA 0.408 4.958 4.550 -0.000 0.000 0.337 530 Y C -0.322 175.682 175.900 0.174 0.000 0.966 530 Y CA -0.559 57.655 58.100 0.190 0.000 1.136 530 Y CB 1.833 40.405 38.460 0.187 0.000 1.170 530 Y HN 0.596 nan 8.280 nan 0.000 0.470 531 E N 2.876 123.264 120.200 0.313 0.000 2.314 531 E HA 0.725 5.075 4.350 -0.000 0.000 0.272 531 E C -1.792 174.930 176.600 0.204 0.000 0.884 531 E CA -0.938 55.614 56.400 0.253 0.000 0.753 531 E CB 2.236 32.067 29.700 0.218 0.000 1.213 531 E HN 0.474 nan 8.360 nan 0.000 0.432 532 V N 0.072 120.029 119.914 0.072 0.000 2.925 532 V HA 1.043 5.163 4.120 -0.000 0.000 0.311 532 V C -0.296 175.615 176.094 -0.304 0.000 1.104 532 V CA 0.105 62.346 62.300 -0.098 0.000 0.954 532 V CB 1.443 33.267 31.823 0.003 0.000 1.022 532 V HN 0.814 nan 8.190 nan 0.000 0.427 533 G N 1.225 109.620 108.800 -0.675 0.000 2.430 533 G HA2 0.737 4.697 3.960 -0.000 0.000 0.300 533 G HA3 0.737 4.697 3.960 -0.000 0.000 0.300 533 G C -1.256 173.407 174.900 -0.395 0.000 1.330 533 G CA 0.057 44.876 45.100 -0.469 0.000 0.813 533 G HN 2.087 nan 8.290 nan 0.000 0.487 534 V N -2.595 117.312 119.914 -0.012 0.000 2.876 534 V HA 0.911 5.030 4.120 -0.000 0.000 0.312 534 V C -0.837 175.403 176.094 0.244 0.000 1.085 534 V CA -1.292 61.090 62.300 0.137 0.000 0.945 534 V CB 1.846 33.693 31.823 0.040 0.000 1.017 534 V HN 0.801 nan 8.190 nan 0.000 0.428 535 K N 2.743 123.301 120.400 0.263 0.000 2.397 535 K HA 0.527 4.846 4.320 -0.000 0.000 0.253 535 K C -2.011 174.714 176.600 0.209 0.000 0.932 535 K CA -0.646 55.767 56.287 0.210 0.000 0.795 535 K CB 2.637 35.225 32.500 0.147 0.000 1.159 535 K HN 0.828 nan 8.250 nan 0.000 0.424 536 Y N 2.563 122.889 120.300 0.044 0.000 2.402 536 Y HA 0.299 4.849 4.550 -0.000 0.000 0.332 536 Y C -0.855 175.059 175.900 0.023 0.000 0.960 536 Y CA -0.862 57.254 58.100 0.027 0.000 1.228 536 Y CB 0.900 39.371 38.460 0.018 0.000 1.120 536 Y HN 0.269 nan 8.280 nan 0.000 0.491 537 V N 8.893 128.617 119.914 -0.316 0.000 2.405 537 V HA 0.246 4.366 4.120 -0.000 0.000 0.253 537 V C -2.301 173.549 176.094 -0.407 0.000 0.963 537 V CA -1.536 60.572 62.300 -0.320 0.000 1.003 537 V CB 0.346 32.083 31.823 -0.143 0.000 1.251 537 V HN 0.677 nan 8.190 nan 0.000 0.520 538 P HA 0.012 nan 4.420 nan 0.000 0.263 538 P C 0.665 177.832 177.300 -0.221 0.000 1.195 538 P CA 0.431 63.248 63.100 -0.472 0.000 0.762 538 P CB 1.659 33.011 31.700 -0.580 0.000 0.799 539 E N 3.207 123.336 120.200 -0.117 0.000 2.204 539 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 539 E C 1.145 177.711 176.600 -0.056 0.000 0.990 539 E CA 1.704 58.061 56.400 -0.073 0.000 0.821 539 E CB -0.208 29.468 29.700 -0.040 0.000 0.750 539 E HN 0.486 nan 8.360 nan 0.000 0.477 540 D N 0.197 120.570 120.400 -0.044 0.000 2.096 540 D HA -0.122 4.517 4.640 -0.000 0.000 0.214 540 D C 0.366 176.649 176.300 -0.029 0.000 0.974 540 D CA 0.441 54.426 54.000 -0.024 0.000 0.890 540 D CB -0.757 40.042 40.800 -0.002 0.000 1.016 540 D HN 0.045 nan 8.370 nan 0.000 0.447 541 R N 1.673 122.160 120.500 -0.021 0.000 2.694 541 R HA 0.250 4.589 4.340 -0.000 0.000 0.268 541 R C -1.857 174.421 176.300 -0.036 0.000 1.061 541 R CA -1.013 55.078 56.100 -0.015 0.000 1.133 541 R CB -0.319 29.990 30.300 0.015 0.000 1.020 541 R HN 0.265 nan 8.270 nan 0.000 0.475 542 P HA 0.095 nan 4.420 nan 0.000 0.225 542 P C -0.860 176.428 177.300 -0.019 0.000 1.813 542 P CA 0.186 63.269 63.100 -0.029 0.000 1.013 542 P CB -0.316 31.372 31.700 -0.020 0.000 1.961 543 I N -1.232 119.317 120.570 -0.035 0.000 2.722 543 I HA 0.652 4.822 4.170 -0.000 0.000 0.295 543 I C -1.553 174.539 176.117 -0.041 0.000 1.161 543 I CA -1.422 59.875 61.300 -0.005 0.000 1.032 543 I CB 2.778 40.809 38.000 0.052 0.000 1.244 543 I HN -0.296 nan 8.210 nan 0.000 0.421 544 V N 5.781 125.698 119.914 0.005 0.000 2.531 544 V HA 0.571 4.691 4.120 -0.000 0.000 0.301 544 V C -0.485 175.657 176.094 0.081 0.000 1.034 544 V CA -0.627 61.675 62.300 0.005 0.000 0.865 544 V CB 1.998 33.813 31.823 -0.013 0.000 0.995 544 V HN 0.607 nan 8.190 nan 0.000 0.424 545 V N 3.628 123.627 119.914 0.141 0.000 2.524 545 V HA 0.543 4.663 4.120 -0.000 0.000 0.297 545 V C -0.106 176.085 176.094 0.162 0.000 1.035 545 V CA -0.136 62.264 62.300 0.166 0.000 0.867 545 V CB 2.184 34.135 31.823 0.213 0.000 1.004 545 V HN 0.954 nan 8.190 nan 0.000 0.426 546 T N 3.320 117.952 114.554 0.130 0.000 2.940 546 T HA 0.883 5.233 4.350 -0.000 0.000 0.288 546 T C -0.153 174.634 174.700 0.145 0.000 1.033 546 T CA 0.020 62.206 62.100 0.144 0.000 1.033 546 T CB 1.743 70.685 68.868 0.122 0.000 1.079 546 T HN 1.019 nan 8.240 nan 0.000 0.496 547 G N 0.673 109.572 108.800 0.165 0.000 2.753 547 G HA2 0.751 4.711 3.960 -0.000 0.000 0.297 547 G HA3 0.751 4.711 3.960 -0.000 0.000 0.297 547 G C -1.479 173.507 174.900 0.144 0.000 1.430 547 G CA -0.125 45.059 45.100 0.140 0.000 1.040 547 G HN 1.020 nan 8.290 nan 0.000 0.530 548 A N 0.124 123.034 122.820 0.149 0.000 2.604 548 A HA 0.895 5.214 4.320 -0.000 0.000 0.295 548 A C -1.571 176.117 177.584 0.173 0.000 1.067 548 A CA -0.425 51.696 52.037 0.140 0.000 0.683 548 A CB 1.847 20.979 19.000 0.220 0.000 1.281 548 A HN 2.180 nan 8.150 nan 0.000 0.407 549 V N 2.150 122.147 119.914 0.139 0.000 2.789 549 V HA 0.923 5.043 4.120 -0.000 0.000 0.311 549 V C -1.453 174.733 176.094 0.152 0.000 1.073 549 V CA -0.509 61.847 62.300 0.094 0.000 0.921 549 V CB 1.770 33.608 31.823 0.025 0.000 1.009 549 V HN 1.667 nan 8.190 nan 0.000 0.426 550 Y N 3.378 123.726 120.300 0.080 0.000 2.677 550 Y HA 0.664 5.214 4.550 -0.000 0.000 0.334 550 Y C -0.892 175.065 175.900 0.094 0.000 1.154 550 Y CA -1.283 56.869 58.100 0.086 0.000 1.070 550 Y CB 1.685 40.183 38.460 0.064 0.000 1.294 550 Y HN 0.587 nan 8.280 nan 0.000 0.475 551 N N 1.993 120.881 118.700 0.315 0.000 2.577 551 N HA 0.277 5.017 4.740 -0.000 0.000 0.275 551 N C -2.458 173.226 175.510 0.290 0.000 1.091 551 N CA -0.219 52.975 53.050 0.240 0.000 0.843 551 N CB 1.641 40.258 38.487 0.217 0.000 1.295 551 N HN 0.813 nan 8.380 nan 0.000 0.530 552 L N 2.890 124.299 121.223 0.310 0.000 2.307 552 L HA 0.613 4.953 4.340 -0.000 0.000 0.284 552 L C -0.637 176.279 176.870 0.076 0.000 1.023 552 L CA 0.071 54.993 54.840 0.136 0.000 0.810 552 L CB 1.567 43.697 42.059 0.118 0.000 1.231 552 L HN 0.361 nan 8.230 nan 0.000 0.423 553 T N 4.744 119.276 114.554 -0.037 0.000 2.841 553 T HA 0.337 4.686 4.350 -0.000 0.000 0.285 553 T C -0.721 173.891 174.700 -0.147 0.000 0.991 553 T CA -0.624 61.459 62.100 -0.027 0.000 0.966 553 T CB 1.196 70.088 68.868 0.041 0.000 0.962 553 T HN 0.502 nan 8.240 nan 0.000 0.438 554 K N 3.413 123.728 120.400 -0.141 0.000 2.334 554 K HA 0.425 4.745 4.320 -0.000 0.000 0.265 554 K C 0.063 176.644 176.600 -0.032 0.000 1.039 554 K CA -0.488 55.690 56.287 -0.182 0.000 0.920 554 K CB 0.425 32.782 32.500 -0.237 0.000 1.160 554 K HN 0.774 nan 8.250 nan 0.000 0.451 555 T N 1.228 115.767 114.554 -0.026 0.000 2.929 555 T HA 0.233 4.583 4.350 -0.000 0.000 0.284 555 T C 0.270 174.982 174.700 0.021 0.000 1.014 555 T CA -0.574 61.536 62.100 0.017 0.000 1.051 555 T CB 1.029 69.914 68.868 0.029 0.000 1.028 555 T HN 0.750 nan 8.240 nan 0.000 0.485 556 N N 0.718 119.437 118.700 0.032 0.000 2.780 556 N HA -0.197 4.543 4.740 -0.000 0.000 0.247 556 N C -0.713 174.802 175.510 0.008 0.000 1.076 556 N CA 0.575 53.640 53.050 0.024 0.000 0.688 556 N CB -1.718 36.789 38.487 0.033 0.000 0.957 556 N HN 0.899 nan 8.380 nan 0.000 0.551 557 N N -0.139 118.575 118.700 0.023 0.000 2.445 557 N HA 0.489 5.229 4.740 -0.000 0.000 0.264 557 N C 0.308 175.801 175.510 -0.028 0.000 1.227 557 N CA -0.249 52.817 53.050 0.026 0.000 0.963 557 N CB 0.561 39.107 38.487 0.099 0.000 1.188 557 N HN 0.307 nan 8.380 nan 0.000 0.491 561 D N 2.816 123.236 120.400 0.033 0.000 2.450 561 D HA 0.294 4.934 4.640 -0.000 0.000 0.247 561 D C -1.276 175.039 176.300 0.026 0.000 1.162 561 D CA -1.065 52.970 54.000 0.058 0.000 0.879 561 D CB 1.081 41.954 40.800 0.122 0.000 1.163 561 D HN 0.156 nan 8.370 nan 0.000 0.472 562 P HA -0.148 nan 4.420 nan 0.000 0.217 562 P C 0.179 177.487 177.300 0.014 0.000 1.148 562 P CA 1.143 64.245 63.100 0.003 0.000 0.834 562 P CB 0.107 31.811 31.700 0.007 0.000 0.783 563 E N -0.850 119.372 120.200 0.036 0.000 2.499 563 E HA 0.231 4.581 4.350 -0.000 0.000 0.207 563 E C 0.465 177.106 176.600 0.068 0.000 1.034 563 E CA -0.370 56.058 56.400 0.046 0.000 1.098 563 E CB -0.796 28.934 29.700 0.050 0.000 1.148 563 E HN 0.037 nan 8.360 nan 0.000 0.447 564 G N 2.396 111.232 108.800 0.060 0.000 2.432 564 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 564 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 564 G C 0.378 175.368 174.900 0.151 0.000 0.217 564 G CA 0.814 45.960 45.100 0.076 0.000 1.074 564 G HN 0.481 nan 8.290 nan 0.000 0.486 565 S N 1.969 117.793 115.700 0.208 0.000 2.835 565 S HA 0.465 4.935 4.470 -0.000 0.000 0.248 565 S C 0.931 175.809 174.600 0.463 0.000 1.070 565 S CA 0.460 58.855 58.200 0.325 0.000 1.090 565 S CB 0.095 63.475 63.200 0.301 0.000 0.978 565 S HN 1.350 nan 8.310 nan 0.000 0.510 566 F N -0.417 119.555 119.950 0.038 0.000 2.619 566 F HA -0.291 4.236 4.527 -0.000 0.000 0.604 566 F C 0.422 176.153 175.800 -0.114 0.000 0.498 566 F CA 1.397 59.349 58.000 -0.081 0.000 0.749 566 F CB -1.526 37.353 39.000 -0.202 0.000 1.621 566 F HN 0.466 nan 8.300 nan 0.000 0.256 567 F N 0.581 120.685 119.950 0.257 0.000 2.380 567 F HA 0.464 4.991 4.527 -0.000 0.000 0.325 567 F C 1.030 176.945 175.800 0.192 0.000 1.136 567 F CA 0.045 58.176 58.000 0.218 0.000 1.171 567 F CB 0.765 39.880 39.000 0.191 0.000 1.230 567 F HN -0.286 nan 8.300 nan 0.000 0.554 568 S N 0.362 116.344 115.700 0.469 0.000 2.722 568 S HA 0.775 5.245 4.470 -0.000 0.000 0.292 568 S C -0.817 173.915 174.600 0.221 0.000 1.135 568 S CA -0.771 57.570 58.200 0.235 0.000 1.003 568 S CB 1.967 65.216 63.200 0.081 0.000 1.067 568 S HN 0.285 nan 8.310 nan 0.000 0.546 569 V N 1.563 121.487 119.914 0.017 0.000 2.823 569 V HA 0.412 4.532 4.120 -0.000 0.000 0.312 569 V C 0.134 176.137 176.094 -0.152 0.000 1.072 569 V CA -0.911 61.397 62.300 0.012 0.000 0.937 569 V CB 1.907 33.763 31.823 0.056 0.000 1.013 569 V HN 1.032 nan 8.190 nan 0.000 0.430 570 E N 1.856 121.979 120.200 -0.128 0.000 2.849 570 E HA 0.668 5.018 4.350 -0.000 0.000 0.257 570 E C 0.879 177.460 176.600 -0.032 0.000 1.306 570 E CA -0.041 56.279 56.400 -0.132 0.000 1.058 570 E CB 0.793 30.443 29.700 -0.082 0.000 1.249 570 E HN 1.096 nan 8.360 nan 0.000 0.638 571 G N -0.983 107.812 108.800 -0.008 0.000 2.234 571 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.235 571 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.235 571 G C 0.591 175.506 174.900 0.026 0.000 0.997 571 G CA -0.116 44.995 45.100 0.018 0.000 0.623 571 G HN 0.857 nan 8.290 nan 0.000 0.514 572 G N -0.144 108.668 108.800 0.021 0.000 2.630 572 G HA2 0.441 4.400 3.960 -0.000 0.000 0.236 572 G HA3 0.441 4.400 3.960 -0.000 0.000 0.236 572 G C -0.182 174.767 174.900 0.082 0.000 1.248 572 G CA 0.898 46.033 45.100 0.059 0.000 0.844 572 G HN 0.736 nan 8.290 nan 0.000 0.588 573 E N -0.536 119.736 120.200 0.121 0.000 2.352 573 E HA 0.522 4.872 4.350 -0.000 0.000 0.280 573 E C -1.206 175.478 176.600 0.139 0.000 0.930 573 E CA -0.676 55.790 56.400 0.111 0.000 0.765 573 E CB 1.828 31.579 29.700 0.084 0.000 1.219 573 E HN 0.398 nan 8.360 nan 0.000 0.434 574 I N 2.712 123.352 120.570 0.116 0.000 2.647 574 I HA 0.497 4.667 4.170 -0.000 0.000 0.295 574 I C -0.533 175.668 176.117 0.141 0.000 1.078 574 I CA -0.869 60.478 61.300 0.078 0.000 1.048 574 I CB 2.244 40.260 38.000 0.026 0.000 1.239 574 I HN 0.362 nan 8.210 nan 0.000 0.421 575 R N 4.157 124.710 120.500 0.088 0.000 2.670 575 R HA 0.883 5.223 4.340 -0.000 0.000 0.289 575 R C -1.621 174.742 176.300 0.104 0.000 0.965 575 R CA -0.564 55.606 56.100 0.117 0.000 0.899 575 R CB 2.093 32.434 30.300 0.068 0.000 1.173 575 R HN 0.769 nan 8.270 nan 0.000 0.456 576 A N 5.182 128.118 122.820 0.194 0.000 2.457 576 A HA 0.438 4.757 4.320 -0.000 0.000 0.283 576 A C -1.065 176.621 177.584 0.171 0.000 1.166 576 A CA -0.944 51.195 52.037 0.170 0.000 0.740 576 A CB 0.744 19.961 19.000 0.362 0.000 1.181 576 A HN 0.882 nan 8.150 nan 0.000 0.446 577 R N 1.930 122.396 120.500 -0.056 0.000 2.599 577 R HA 0.890 5.229 4.340 -0.000 0.000 0.295 577 R C 0.099 176.108 176.300 -0.486 0.000 0.963 577 R CA -0.346 55.585 56.100 -0.282 0.000 0.883 577 R CB 2.049 32.275 30.300 -0.124 0.000 1.171 577 R HN 1.021 nan 8.270 nan 0.000 0.450 578 G N 0.623 108.849 108.800 -0.956 0.000 2.561 578 G HA2 0.481 4.441 3.960 -0.000 0.000 0.310 578 G HA3 0.481 4.441 3.960 -0.000 0.000 0.310 578 G C -1.762 172.937 174.900 -0.335 0.000 1.292 578 G CA -0.587 44.220 45.100 -0.488 0.000 0.811 578 G HN 0.402 nan 8.290 nan 0.000 0.482 579 V N 0.345 120.305 119.914 0.076 0.000 2.760 579 V HA 0.649 4.769 4.120 -0.000 0.000 0.309 579 V C -1.001 175.234 176.094 0.235 0.000 1.077 579 V CA -0.756 61.647 62.300 0.172 0.000 0.910 579 V CB 1.806 33.752 31.823 0.204 0.000 1.008 579 V HN 0.801 nan 8.190 nan 0.000 0.424 580 E N 4.999 125.345 120.200 0.242 0.000 2.256 580 E HA 0.740 5.090 4.350 -0.000 0.000 0.268 580 E C -1.216 175.500 176.600 0.193 0.000 0.877 580 E CA -0.690 55.831 56.400 0.202 0.000 0.757 580 E CB 3.104 32.915 29.700 0.185 0.000 1.183 580 E HN 0.742 nan 8.360 nan 0.000 0.418 581 I N -0.975 119.713 120.570 0.197 0.000 2.619 581 I HA 0.661 4.831 4.170 -0.000 0.000 0.292 581 I C -0.964 175.250 176.117 0.161 0.000 1.100 581 I CA -0.739 60.666 61.300 0.176 0.000 1.043 581 I CB 2.362 40.471 38.000 0.182 0.000 1.239 581 I HN 0.565 nan 8.210 nan 0.000 0.420 582 E N 4.493 124.773 120.200 0.134 0.000 2.393 582 E HA 0.866 5.216 4.350 -0.000 0.000 0.273 582 E C -1.937 174.732 176.600 0.114 0.000 0.918 582 E CA -1.067 55.407 56.400 0.123 0.000 0.773 582 E CB 2.682 32.439 29.700 0.096 0.000 1.275 582 E HN 1.004 nan 8.360 nan 0.000 0.451 583 A N 2.997 125.886 122.820 0.114 0.000 2.488 583 A HA 0.632 4.951 4.320 -0.000 0.000 0.295 583 A C -1.516 176.127 177.584 0.099 0.000 1.045 583 A CA -0.757 51.344 52.037 0.106 0.000 0.703 583 A CB 1.498 20.564 19.000 0.109 0.000 1.271 583 A HN 0.481 nan 8.150 nan 0.000 0.400 584 K N 0.568 121.016 120.400 0.081 0.000 2.501 584 K HA 0.811 5.131 4.320 -0.000 0.000 0.252 584 K C -0.756 175.881 176.600 0.061 0.000 0.934 584 K CA -0.407 55.920 56.287 0.068 0.000 0.797 584 K CB 2.632 35.156 32.500 0.040 0.000 1.270 584 K HN 1.289 nan 8.250 nan 0.000 0.431 585 A N 0.820 123.678 122.820 0.063 0.000 2.564 585 A HA 0.785 5.105 4.320 -0.000 0.000 0.291 585 A C -1.757 175.855 177.584 0.047 0.000 1.102 585 A CA -0.630 51.438 52.037 0.053 0.000 0.660 585 A CB 1.572 20.612 19.000 0.066 0.000 1.283 585 A HN 0.636 nan 8.150 nan 0.000 0.430 586 A N 0.708 123.548 122.820 0.034 0.000 3.165 586 A HA 0.537 4.857 4.320 -0.000 0.000 0.331 586 A C 0.537 178.134 177.584 0.021 0.000 1.034 586 A CA -0.321 51.731 52.037 0.024 0.000 0.906 586 A CB -0.905 18.102 19.000 0.011 0.000 1.054 586 A HN 0.883 nan 8.150 nan 0.000 0.484 587 L N 0.153 121.395 121.223 0.031 0.000 2.661 587 L HA -0.085 4.255 4.340 -0.000 0.000 0.236 587 L C 1.155 178.039 176.870 0.023 0.000 1.176 587 L CA 1.445 56.305 54.840 0.033 0.000 0.836 587 L CB -0.417 41.667 42.059 0.042 0.000 0.960 587 L HN 0.679 nan 8.230 nan 0.000 0.455 588 S N -2.760 112.943 115.700 0.005 0.000 2.656 588 S HA 0.471 4.941 4.470 -0.000 0.000 0.265 588 S C 0.230 174.809 174.600 -0.036 0.000 1.110 588 S CA -0.136 58.056 58.200 -0.012 0.000 0.821 588 S CB 0.765 63.964 63.200 -0.001 0.000 1.099 588 S HN -0.049 nan 8.310 nan 0.000 0.471 589 A N 0.980 123.762 122.820 -0.064 0.000 2.168 589 A HA 0.214 4.533 4.320 -0.000 0.000 0.215 589 A C 1.666 179.261 177.584 0.018 0.000 1.152 589 A CA 1.785 53.766 52.037 -0.094 0.000 0.716 589 A CB -0.781 18.066 19.000 -0.255 0.000 0.794 589 A HN 1.534 nan 8.150 nan 0.000 0.465 590 S N -2.388 113.286 115.700 -0.044 0.000 2.604 590 S HA 0.352 4.822 4.470 -0.000 0.000 0.235 590 S C -0.019 174.330 174.600 -0.418 0.000 1.043 590 S CA -0.017 58.051 58.200 -0.220 0.000 0.997 590 S CB 0.180 63.038 63.200 -0.570 0.000 0.956 590 S HN 0.056 nan 8.310 nan 0.000 0.535 591 V N 2.641 122.441 119.914 -0.191 0.000 2.417 591 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 591 V C -0.821 175.265 176.094 -0.013 0.000 1.024 591 V CA -0.673 61.580 62.300 -0.078 0.000 0.861 591 V CB 1.260 33.098 31.823 0.024 0.000 0.985 591 V HN 0.414 nan 8.190 nan 0.000 0.436 592 N N 2.309 121.016 118.700 0.012 0.000 2.238 592 N HA 0.832 5.572 4.740 -0.000 0.000 0.302 592 N C -1.318 174.253 175.510 0.102 0.000 1.072 592 N CA -0.682 52.412 53.050 0.074 0.000 0.792 592 N CB 2.856 41.419 38.487 0.126 0.000 1.425 592 N HN 0.580 nan 8.380 nan 0.000 0.478 593 V N -1.082 118.906 119.914 0.123 0.000 2.888 593 V HA 0.798 4.918 4.120 -0.000 0.000 0.309 593 V C -0.957 175.236 176.094 0.165 0.000 1.114 593 V CA -0.703 61.683 62.300 0.143 0.000 0.940 593 V CB 1.636 33.513 31.823 0.090 0.000 1.021 593 V HN 0.320 nan 8.190 nan 0.000 0.426 594 V N 2.164 122.206 119.914 0.213 0.000 2.808 594 V HA 1.021 5.140 4.120 -0.000 0.000 0.308 594 V C 0.392 176.627 176.094 0.234 0.000 1.099 594 V CA 0.455 62.860 62.300 0.176 0.000 0.920 594 V CB 1.838 33.718 31.823 0.095 0.000 1.014 594 V HN 1.592 nan 8.190 nan 0.000 0.425 595 G N 2.136 111.063 108.800 0.211 0.000 2.632 595 G HA2 0.794 4.754 3.960 -0.000 0.000 0.292 595 G HA3 0.794 4.754 3.960 -0.000 0.000 0.292 595 G C -1.074 173.947 174.900 0.202 0.000 1.465 595 G CA 0.137 45.381 45.100 0.240 0.000 0.824 595 G HN 1.297 nan 8.290 nan 0.000 0.509 596 S N -0.923 114.905 115.700 0.213 0.000 2.611 596 S HA 0.799 5.269 4.470 -0.000 0.000 0.268 596 S C -1.853 172.896 174.600 0.248 0.000 1.156 596 S CA -0.879 57.439 58.200 0.197 0.000 0.817 596 S CB 2.021 65.312 63.200 0.152 0.000 1.122 596 S HN 1.969 nan 8.310 nan 0.000 0.466 597 Y N 0.293 120.661 120.300 0.114 0.000 2.504 597 Y HA 0.689 5.239 4.550 -0.000 0.000 0.344 597 Y C -1.347 174.640 175.900 0.144 0.000 1.023 597 Y CA -0.195 57.982 58.100 0.128 0.000 1.020 597 Y CB 2.282 40.809 38.460 0.112 0.000 1.282 597 Y HN 0.960 nan 8.280 nan 0.000 0.454 598 T N 5.685 119.797 114.554 -0.737 0.000 2.921 598 T HA 0.288 4.638 4.350 -0.000 0.000 0.297 598 T C -2.216 172.135 174.700 -0.581 0.000 1.013 598 T CA -0.497 61.330 62.100 -0.454 0.000 0.990 598 T CB 1.017 69.771 68.868 -0.190 0.000 1.023 598 T HN 0.472 nan 8.240 nan 0.000 0.447 599 Y N 2.557 122.643 120.300 -0.357 0.000 2.345 599 Y HA 0.529 5.079 4.550 -0.000 0.000 0.331 599 Y C -0.547 175.263 175.900 -0.150 0.000 0.959 599 Y CA -0.758 57.224 58.100 -0.197 0.000 1.204 599 Y CB 1.051 39.534 38.460 0.038 0.000 1.135 599 Y HN 0.604 nan 8.280 nan 0.000 0.477 600 T N 5.993 120.157 114.554 -0.649 0.000 2.815 600 T HA 0.166 4.516 4.350 -0.000 0.000 0.289 600 T C -1.195 173.120 174.700 -0.642 0.000 1.000 600 T CA -0.720 61.088 62.100 -0.487 0.000 0.958 600 T CB 0.705 69.410 68.868 -0.272 0.000 0.944 600 T HN 0.598 nan 8.240 nan 0.000 0.442 601 D N 3.158 123.228 120.400 -0.549 0.000 2.477 601 D HA 0.454 5.094 4.640 -0.000 0.000 0.239 601 D C -0.522 175.632 176.300 -0.242 0.000 1.102 601 D CA -0.427 53.326 54.000 -0.412 0.000 0.901 601 D CB 0.721 41.317 40.800 -0.340 0.000 1.026 601 D HN 0.616 nan 8.370 nan 0.000 0.515 602 A N 3.416 126.084 122.820 -0.252 0.000 2.305 602 A HA 0.614 4.934 4.320 -0.000 0.000 0.322 602 A C -0.179 177.255 177.584 -0.249 0.000 1.187 602 A CA -0.529 51.354 52.037 -0.258 0.000 0.825 602 A CB 1.215 19.989 19.000 -0.376 0.000 1.164 602 A HN 0.602 nan 8.150 nan 0.000 0.498 603 E N 1.358 121.426 120.200 -0.221 0.000 2.363 603 E HA 0.333 4.683 4.350 -0.000 0.000 0.281 603 E C -1.895 174.623 176.600 -0.136 0.000 0.953 603 E CA -0.549 55.749 56.400 -0.169 0.000 0.778 603 E CB 1.173 30.827 29.700 -0.077 0.000 1.220 603 E HN 0.605 nan 8.360 nan 0.000 0.431 604 Y N 2.662 122.935 120.300 -0.045 0.000 2.637 604 Y HA 0.045 4.595 4.550 -0.000 0.000 0.350 604 Y C 1.540 177.445 175.900 0.009 0.000 1.069 604 Y CA 0.516 58.616 58.100 -0.000 0.000 1.397 604 Y CB 0.960 39.434 38.460 0.022 0.000 1.163 604 Y HN 0.553 nan 8.280 nan 0.000 0.527 605 T N 1.144 115.785 114.554 0.145 0.000 2.732 605 T HA -0.046 4.304 4.350 -0.000 0.000 0.261 605 T C 0.415 175.177 174.700 0.103 0.000 1.040 605 T CA 1.379 63.539 62.100 0.100 0.000 1.145 605 T CB 0.038 68.954 68.868 0.081 0.000 0.866 605 T HN 0.463 nan 8.240 nan 0.000 0.427 606 T N 2.373 117.000 114.554 0.122 0.000 2.881 606 T HA 0.558 4.908 4.350 -0.000 0.000 0.291 606 T C -1.332 173.426 174.700 0.097 0.000 0.990 606 T CA -0.810 61.342 62.100 0.087 0.000 0.976 606 T CB 1.898 70.806 68.868 0.066 0.000 0.970 606 T HN 0.112 nan 8.240 nan 0.000 0.438 607 D N 1.426 121.847 120.400 0.036 0.000 2.787 607 D HA 0.162 4.802 4.640 -0.000 0.000 0.215 607 D C 0.729 176.964 176.300 -0.108 0.000 1.246 607 D CA -0.342 53.638 54.000 -0.033 0.000 0.798 607 D CB 2.338 43.087 40.800 -0.084 0.000 1.649 607 D HN 0.327 nan 8.370 nan 0.000 0.507 608 T N 1.471 115.944 114.554 -0.134 0.000 2.545 608 T HA -0.108 4.242 4.350 -0.000 0.000 0.261 608 T C 1.631 176.184 174.700 -0.245 0.000 1.097 608 T CA 2.247 64.255 62.100 -0.153 0.000 1.189 608 T CB -0.207 68.579 68.868 -0.137 0.000 0.863 608 T HN 0.478 nan 8.240 nan 0.000 0.405 609 T N 1.005 115.303 114.554 -0.426 0.000 2.612 609 T HA 0.046 4.395 4.350 -0.000 0.000 0.251 609 T C 0.666 174.992 174.700 -0.623 0.000 1.090 609 T CA 0.967 62.684 62.100 -0.638 0.000 1.198 609 T CB -0.543 67.638 68.868 -1.146 0.000 0.878 609 T HN 0.272 nan 8.240 nan 0.000 0.401 610 Y N 1.496 121.604 120.300 -0.319 0.000 2.281 610 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 610 Y C 0.512 176.218 175.900 -0.323 0.000 1.304 610 Y CA -0.995 56.865 58.100 -0.401 0.000 1.465 610 Y CB 0.270 38.267 38.460 -0.772 0.000 1.350 610 Y HN 0.168 nan 8.280 nan 0.000 0.575 611 K N -0.929 119.461 120.400 -0.016 0.000 2.768 611 K HA 0.358 4.678 4.320 -0.000 0.000 0.288 611 K C 0.063 176.709 176.600 0.076 0.000 1.128 611 K CA 0.408 56.733 56.287 0.064 0.000 0.987 611 K CB 0.302 32.806 32.500 0.006 0.000 1.377 611 K HN 0.966 nan 8.250 nan 0.000 0.409 612 G N 1.917 110.779 108.800 0.103 0.000 2.284 612 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.261 612 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.261 612 G C -0.153 174.749 174.900 0.004 0.000 0.997 612 G CA 0.666 45.790 45.100 0.039 0.000 0.621 612 G HN 0.577 nan 8.290 nan 0.000 0.534 613 N N 1.215 119.949 118.700 0.057 0.000 2.503 613 N HA 0.537 5.277 4.740 -0.000 0.000 0.267 613 N C 0.482 175.968 175.510 -0.040 0.000 1.214 613 N CA 0.799 53.823 53.050 -0.044 0.000 0.959 613 N CB 0.934 39.429 38.487 0.012 0.000 1.142 613 N HN 0.502 nan 8.380 nan 0.000 0.455 614 T N -1.178 113.185 114.554 -0.319 0.000 2.829 614 T HA 0.496 4.846 4.350 -0.000 0.000 0.282 614 T C -2.650 171.882 174.700 -0.280 0.000 0.990 614 T CA -1.970 59.939 62.100 -0.318 0.000 1.028 614 T CB 1.565 70.236 68.868 -0.329 0.000 0.951 614 T HN 0.252 nan 8.240 nan 0.000 0.460 615 P HA 0.250 nan 4.420 nan 0.000 0.269 615 P C 0.083 177.272 177.300 -0.186 0.000 1.209 615 P CA -0.289 62.660 63.100 -0.251 0.000 0.776 615 P CB 0.305 31.763 31.700 -0.404 0.000 0.876 616 A N 2.866 125.597 122.820 -0.149 0.000 2.448 616 A HA -0.004 4.315 4.320 -0.000 0.000 0.239 616 A C 1.018 178.542 177.584 -0.101 0.000 1.080 616 A CA 0.362 52.327 52.037 -0.119 0.000 0.779 616 A CB -0.724 18.192 19.000 -0.141 0.000 1.026 616 A HN 0.709 nan 8.150 nan 0.000 0.499 617 Q N -2.405 117.343 119.800 -0.087 0.000 2.305 617 Q HA -0.185 4.155 4.340 -0.000 0.000 0.203 617 Q C 0.006 175.956 176.000 -0.083 0.000 0.663 617 Q CA 1.091 56.857 55.803 -0.061 0.000 1.389 617 Q CB -1.931 26.797 28.738 -0.017 0.000 1.566 617 Q HN 1.090 nan 8.270 nan 0.000 0.755 618 V N 1.994 121.838 119.914 -0.117 0.000 2.294 618 V HA 0.400 4.520 4.120 -0.000 0.000 0.272 618 V C -2.023 173.979 176.094 -0.153 0.000 1.027 618 V CA -2.013 60.197 62.300 -0.150 0.000 0.823 618 V CB 1.034 32.730 31.823 -0.210 0.000 1.030 618 V HN 0.035 nan 8.190 nan 0.000 0.457 619 P HA 0.143 nan 4.420 nan 0.000 0.271 619 P C 0.193 177.351 177.300 -0.236 0.000 1.218 619 P CA -0.154 62.829 63.100 -0.195 0.000 0.780 619 P CB 1.334 32.892 31.700 -0.236 0.000 0.901 620 K N 0.649 120.892 120.400 -0.261 0.000 2.116 620 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 620 K C 0.852 177.094 176.600 -0.597 0.000 1.052 620 K CA 0.947 56.961 56.287 -0.455 0.000 0.952 620 K CB 0.126 32.365 32.500 -0.435 0.000 0.729 620 K HN 0.606 nan 8.250 nan 0.000 0.446 624 S N 0.125 115.932 115.700 0.179 0.000 2.556 624 S HA 0.878 5.348 4.470 -0.000 0.000 0.271 624 S C -1.461 173.322 174.600 0.305 0.000 1.135 624 S CA -0.672 57.638 58.200 0.184 0.000 0.858 624 S CB 1.666 64.889 63.200 0.038 0.000 1.114 624 S HN 2.222 nan 8.310 nan 0.000 0.468 625 L N 1.272 122.730 121.223 0.391 0.000 2.513 625 L HA 0.867 5.207 4.340 -0.000 0.000 0.261 625 L C -2.230 174.932 176.870 0.488 0.000 0.945 625 L CA -0.041 55.013 54.840 0.356 0.000 0.848 625 L CB 1.948 44.133 42.059 0.209 0.000 1.334 625 L HN 1.010 nan 8.230 nan 0.000 0.407 626 W N 4.820 126.226 121.300 0.177 0.000 3.256 626 W HA 0.817 5.477 4.660 -0.000 0.000 0.324 626 W C -1.487 175.048 176.519 0.027 0.000 1.196 626 W CA -0.099 57.300 57.345 0.089 0.000 1.206 626 W CB 2.167 31.552 29.460 -0.126 0.000 1.385 626 W HN 0.858 nan 8.180 nan 0.000 0.522 627 A N 4.447 126.897 122.820 -0.616 0.000 2.549 627 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 627 A C -1.633 175.394 177.584 -0.929 0.000 1.061 627 A CA -0.641 51.108 52.037 -0.478 0.000 0.690 627 A CB 1.680 20.546 19.000 -0.223 0.000 1.287 627 A HN 0.548 nan 8.150 nan 0.000 0.402 628 D N 0.213 120.313 120.400 -0.500 0.000 2.732 628 D HA 0.520 5.160 4.640 -0.000 0.000 0.229 628 D C -1.521 174.698 176.300 -0.136 0.000 1.152 628 D CA -0.216 53.557 54.000 -0.378 0.000 0.854 628 D CB 1.858 42.566 40.800 -0.153 0.000 1.590 628 D HN 0.429 nan 8.370 nan 0.000 0.468 629 Y N 0.124 120.267 120.300 -0.261 0.000 2.485 629 Y HA 0.509 5.059 4.550 -0.000 0.000 0.345 629 Y C -0.915 174.765 175.900 -0.367 0.000 0.998 629 Y CA -0.134 57.788 58.100 -0.298 0.000 1.059 629 Y CB 2.495 40.724 38.460 -0.385 0.000 1.234 629 Y HN 0.410 nan 8.280 nan 0.000 0.461 630 T N 5.518 119.548 114.554 -0.873 0.000 2.893 630 T HA 0.495 4.844 4.350 -0.000 0.000 0.293 630 T C -1.529 172.659 174.700 -0.854 0.000 1.027 630 T CA -0.471 61.223 62.100 -0.676 0.000 0.988 630 T CB 0.769 69.318 68.868 -0.533 0.000 1.043 630 T HN 0.313 nan 8.240 nan 0.000 0.461 631 F N 1.433 121.136 119.950 -0.411 0.000 2.450 631 F HA 0.608 5.134 4.527 -0.000 0.000 0.332 631 F C 0.266 175.727 175.800 -0.566 0.000 1.093 631 F CA -1.302 56.556 58.000 -0.237 0.000 1.003 631 F CB 1.145 40.154 39.000 0.014 0.000 1.151 631 F HN 0.602 nan 8.300 nan 0.000 0.474 632 F N -1.170 118.943 119.950 0.271 0.000 2.925 632 F HA 0.181 4.708 4.527 -0.000 0.000 0.359 632 F C 0.848 176.729 175.800 0.134 0.000 1.038 632 F CA -0.556 57.528 58.000 0.140 0.000 1.130 632 F CB -0.244 38.799 39.000 0.072 0.000 1.093 632 F HN 0.295 nan 8.300 nan 0.000 0.561 633 D N 0.784 121.395 120.400 0.352 0.000 1.794 633 D HA 0.153 4.793 4.640 -0.000 0.000 0.292 633 D C 1.857 178.216 176.300 0.098 0.000 1.061 633 D CA 1.027 55.154 54.000 0.210 0.000 0.940 633 D CB -0.689 40.239 40.800 0.213 0.000 1.238 633 D HN 0.092 nan 8.370 nan 0.000 0.432 634 G N 0.179 108.988 108.800 0.016 0.000 2.199 634 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.364 634 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.364 634 G C -1.345 173.539 174.900 -0.026 0.000 1.465 634 G CA 0.476 45.562 45.100 -0.024 0.000 1.049 634 G HN 0.337 nan 8.290 nan 0.000 0.522 635 P HA -0.011 nan 4.420 nan 0.000 0.225 635 P C 1.346 178.633 177.300 -0.021 0.000 1.148 635 P CA 0.875 63.959 63.100 -0.026 0.000 0.779 635 P CB 0.045 31.719 31.700 -0.043 0.000 0.780 636 L N -0.336 120.822 121.223 -0.107 0.000 2.672 636 L HA 0.147 4.487 4.340 -0.000 0.000 0.236 636 L C 1.165 178.073 176.870 0.063 0.000 1.186 636 L CA -0.282 54.498 54.840 -0.100 0.000 0.977 636 L CB -0.514 41.271 42.059 -0.457 0.000 1.203 636 L HN -0.072 nan 8.230 nan 0.000 0.448 637 S N 0.476 116.227 115.700 0.085 0.000 2.549 637 S HA 0.322 4.792 4.470 -0.000 0.000 0.283 637 S C 1.216 175.861 174.600 0.074 0.000 1.320 637 S CA 0.551 58.811 58.200 0.100 0.000 1.058 637 S CB 0.482 63.737 63.200 0.092 0.000 0.882 637 S HN 0.692 nan 8.310 nan 0.000 0.498 638 G N 2.849 111.614 108.800 -0.058 0.000 2.182 638 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.248 638 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.248 638 G C -0.474 174.418 174.900 -0.012 0.000 1.042 638 G CA 0.372 45.381 45.100 -0.151 0.000 0.775 638 G HN 1.076 nan 8.290 nan 0.000 0.501 639 L N 0.739 122.028 121.223 0.109 0.000 2.376 639 L HA 0.843 5.183 4.340 -0.000 0.000 0.275 639 L C -0.114 176.815 176.870 0.099 0.000 0.987 639 L CA -0.379 54.606 54.840 0.243 0.000 0.828 639 L CB 2.131 44.416 42.059 0.376 0.000 1.249 639 L HN 0.058 nan 8.230 nan 0.000 0.409 640 T N 6.296 120.871 114.554 0.035 0.000 2.797 640 T HA 0.660 5.010 4.350 -0.000 0.000 0.279 640 T C -0.586 174.108 174.700 -0.009 0.000 0.991 640 T CA -0.297 61.776 62.100 -0.044 0.000 0.979 640 T CB 1.011 69.845 68.868 -0.056 0.000 0.943 640 T HN 0.466 nan 8.240 nan 0.000 0.444 641 L N 2.561 123.760 121.223 -0.039 0.000 2.381 641 L HA 0.828 5.167 4.340 -0.000 0.000 0.274 641 L C 0.391 177.187 176.870 -0.123 0.000 0.988 641 L CA -0.792 54.022 54.840 -0.045 0.000 0.824 641 L CB 2.048 44.099 42.059 -0.014 0.000 1.263 641 L HN 0.792 nan 8.230 nan 0.000 0.410 642 G N 0.254 108.961 108.800 -0.155 0.000 2.660 642 G HA2 0.688 4.648 3.960 -0.000 0.000 0.294 642 G HA3 0.688 4.648 3.960 -0.000 0.000 0.294 642 G C -1.524 173.145 174.900 -0.384 0.000 1.369 642 G CA -0.367 44.480 45.100 -0.421 0.000 0.912 642 G HN 0.427 nan 8.290 nan 0.000 0.479 643 T N -1.555 112.546 114.554 -0.755 0.000 2.830 643 T HA 0.786 5.136 4.350 -0.000 0.000 0.322 643 T C -0.417 173.912 174.700 -0.618 0.000 1.501 643 T CA 0.499 62.362 62.100 -0.395 0.000 1.036 643 T CB 1.515 70.272 68.868 -0.186 0.000 1.379 643 T HN 1.980 nan 8.240 nan 0.000 0.493 644 G N -0.156 108.643 108.800 -0.002 0.000 2.506 644 G HA2 0.658 4.618 3.960 -0.000 0.000 0.292 644 G HA3 0.658 4.618 3.960 -0.000 0.000 0.292 644 G C -0.801 174.339 174.900 0.400 0.000 1.425 644 G CA -0.001 45.272 45.100 0.288 0.000 0.788 644 G HN 1.032 nan 8.290 nan 0.000 0.490 645 G N -0.833 108.192 108.800 0.375 0.000 2.619 645 G HA2 0.718 4.678 3.960 -0.000 0.000 0.296 645 G HA3 0.718 4.678 3.960 -0.000 0.000 0.296 645 G C -1.223 173.779 174.900 0.170 0.000 1.334 645 G CA -0.845 44.403 45.100 0.247 0.000 0.934 645 G HN 0.577 nan 8.290 nan 0.000 0.476 646 R N 0.014 120.558 120.500 0.074 0.000 2.513 646 R HA 0.345 4.685 4.340 -0.000 0.000 0.301 646 R C -1.841 174.509 176.300 0.085 0.000 0.968 646 R CA -0.819 55.270 56.100 -0.018 0.000 0.872 646 R CB 2.600 32.787 30.300 -0.189 0.000 1.177 646 R HN 0.567 nan 8.270 nan 0.000 0.444 647 Y N 1.605 121.878 120.300 -0.044 0.000 2.331 647 Y HA 0.366 4.916 4.550 -0.000 0.000 0.338 647 Y C -0.876 174.934 175.900 -0.149 0.000 0.992 647 Y CA -0.371 57.687 58.100 -0.070 0.000 1.121 647 Y CB 1.926 40.379 38.460 -0.013 0.000 1.184 647 Y HN 0.464 nan 8.280 nan 0.000 0.469 648 T N 6.088 120.074 114.554 -0.947 0.000 2.833 648 T HA 0.477 4.827 4.350 -0.000 0.000 0.297 648 T C 0.384 174.288 174.700 -1.327 0.000 1.015 648 T CA -0.417 61.075 62.100 -1.013 0.000 0.963 648 T CB 0.820 69.031 68.868 -1.095 0.000 0.955 648 T HN 0.983 nan 8.240 nan 0.000 0.449 649 G N 2.259 110.453 108.800 -1.010 0.000 2.683 649 G HA2 0.408 4.368 3.960 -0.000 0.000 0.260 649 G HA3 0.408 4.368 3.960 -0.000 0.000 0.260 649 G C 0.440 175.094 174.900 -0.410 0.000 1.238 649 G CA -0.630 44.096 45.100 -0.623 0.000 0.934 649 G HN 0.811 nan 8.290 nan 0.000 0.534 650 S N -1.168 114.402 115.700 -0.218 0.000 2.585 650 S HA 0.561 5.031 4.470 -0.000 0.000 0.273 650 S C 0.309 174.770 174.600 -0.232 0.000 1.339 650 S CA 0.269 58.349 58.200 -0.199 0.000 1.028 650 S CB 1.146 64.252 63.200 -0.156 0.000 0.906 650 S HN 1.506 nan 8.310 nan 0.000 0.528 651 S N 0.584 116.125 115.700 -0.264 0.000 2.651 651 S HA 0.612 5.082 4.470 -0.000 0.000 0.279 651 S C -1.569 172.782 174.600 -0.415 0.000 1.148 651 S CA -0.979 57.067 58.200 -0.257 0.000 0.837 651 S CB 0.224 63.328 63.200 -0.159 0.000 1.138 651 S HN 0.678 nan 8.310 nan 0.000 0.478 652 Y N 0.485 120.631 120.300 -0.257 0.000 2.304 652 Y HA 0.547 5.097 4.550 -0.000 0.000 0.328 652 Y C 1.547 177.164 175.900 -0.471 0.000 1.123 652 Y CA 0.139 58.023 58.100 -0.359 0.000 1.218 652 Y CB 1.140 39.426 38.460 -0.289 0.000 1.207 652 Y HN 0.989 nan 8.280 nan 0.000 0.495 653 G N 1.739 110.098 108.800 -0.736 0.000 3.314 653 G HA2 0.211 4.171 3.960 -0.000 0.000 0.238 653 G HA3 0.211 4.171 3.960 -0.000 0.000 0.238 653 G C -0.787 173.744 174.900 -0.615 0.000 1.184 653 G CA 0.149 44.743 45.100 -0.843 0.000 0.806 653 G HN 0.706 nan 8.290 nan 0.000 0.536 654 D N -2.794 117.357 120.400 -0.416 0.000 2.766 654 D HA 0.084 4.723 4.640 -0.000 0.000 0.244 654 D C -2.785 173.349 176.300 -0.275 0.000 1.198 654 D CA -1.194 52.633 54.000 -0.289 0.000 0.739 654 D CB 0.832 41.533 40.800 -0.165 0.000 1.379 654 D HN -0.117 nan 8.370 nan 0.000 0.437 655 P HA -0.039 nan 4.420 nan 0.000 0.216 655 P C 1.287 178.175 177.300 -0.685 0.000 1.150 655 P CA 2.577 65.217 63.100 -0.766 0.000 0.837 655 P CB 0.079 31.038 31.700 -1.234 0.000 0.786 656 A N -0.875 121.798 122.820 -0.246 0.000 2.121 656 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 656 A C 0.915 178.496 177.584 -0.006 0.000 1.154 656 A CA 0.942 53.007 52.037 0.046 0.000 0.679 656 A CB -1.459 17.610 19.000 0.116 0.000 0.795 656 A HN 0.262 nan 8.150 nan 0.000 0.458 657 N N -1.213 117.446 118.700 -0.068 0.000 2.741 657 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 657 N C 1.058 176.645 175.510 0.128 0.000 1.115 657 N CA 0.459 53.528 53.050 0.032 0.000 0.724 657 N CB -1.191 37.196 38.487 -0.168 0.000 1.090 657 N HN 0.570 nan 8.380 nan 0.000 0.558 658 S N -0.016 115.759 115.700 0.124 0.000 2.359 658 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 658 S C 0.583 175.348 174.600 0.275 0.000 1.039 658 S CA 1.732 60.050 58.200 0.198 0.000 1.042 658 S CB 0.043 63.384 63.200 0.235 0.000 0.915 658 S HN 0.463 nan 8.310 nan 0.000 0.439 659 F N -0.561 119.379 119.950 -0.016 0.000 2.764 659 F HA 0.871 5.398 4.527 -0.000 0.000 0.347 659 F C -0.728 175.010 175.800 -0.103 0.000 1.151 659 F CA -1.717 56.250 58.000 -0.055 0.000 1.021 659 F CB 0.997 39.943 39.000 -0.090 0.000 1.438 659 F HN -0.188 nan 8.300 nan 0.000 0.516 660 K N 0.696 120.950 120.400 -0.243 0.000 2.469 660 K HA 0.668 4.988 4.320 -0.000 0.000 0.254 660 K C -1.860 174.576 176.600 -0.273 0.000 0.939 660 K CA -1.138 54.871 56.287 -0.465 0.000 0.812 660 K CB 2.987 35.210 32.500 -0.462 0.000 1.301 660 K HN 0.491 nan 8.250 nan 0.000 0.433 661 V N 1.720 121.448 119.914 -0.309 0.000 2.383 661 V HA 0.293 4.413 4.120 -0.000 0.000 0.275 661 V C 0.659 176.709 176.094 -0.074 0.000 1.036 661 V CA -0.718 61.509 62.300 -0.123 0.000 0.889 661 V CB 1.205 32.967 31.823 -0.102 0.000 0.985 661 V HN 0.921 nan 8.190 nan 0.000 0.459 662 G N 3.654 112.467 108.800 0.022 0.000 2.491 662 G HA2 0.363 4.323 3.960 -0.000 0.000 0.242 662 G HA3 0.363 4.323 3.960 -0.000 0.000 0.242 662 G C 0.515 175.461 174.900 0.076 0.000 1.266 662 G CA 0.195 45.322 45.100 0.044 0.000 0.844 662 G HN 0.942 nan 8.290 nan 0.000 0.571 663 S N 0.216 115.901 115.700 -0.026 0.000 2.606 663 S HA 0.603 5.073 4.470 -0.000 0.000 0.257 663 S C -0.325 174.258 174.600 -0.028 0.000 1.327 663 S CA 0.372 58.446 58.200 -0.210 0.000 0.984 663 S CB 0.469 63.575 63.200 -0.157 0.000 0.941 663 S HN 1.464 nan 8.310 nan 0.000 0.576 664 Y N -3.890 116.349 120.300 -0.102 0.000 2.732 664 Y HA 0.659 5.209 4.550 -0.000 0.000 0.342 664 Y C -1.128 174.734 175.900 -0.063 0.000 1.203 664 Y CA -1.170 56.887 58.100 -0.072 0.000 1.092 664 Y CB 0.689 39.038 38.460 -0.185 0.000 1.345 664 Y HN 0.663 nan 8.280 nan 0.000 0.458 665 T N 1.905 116.582 114.554 0.206 0.000 2.928 665 T HA 0.630 4.980 4.350 -0.000 0.000 0.296 665 T C -1.482 173.284 174.700 0.111 0.000 1.000 665 T CA -0.679 61.536 62.100 0.192 0.000 0.989 665 T CB 1.696 70.715 68.868 0.252 0.000 1.005 665 T HN 0.647 nan 8.240 nan 0.000 0.442 666 V N 3.471 123.427 119.914 0.070 0.000 2.555 666 V HA 0.618 4.737 4.120 -0.000 0.000 0.302 666 V C -0.220 175.927 176.094 0.089 0.000 1.038 666 V CA -0.726 61.597 62.300 0.038 0.000 0.887 666 V CB 2.054 33.859 31.823 -0.030 0.000 0.991 666 V HN 0.709 nan 8.190 nan 0.000 0.434 667 V N 3.435 123.383 119.914 0.056 0.000 2.547 667 V HA 0.544 4.664 4.120 -0.000 0.000 0.299 667 V C -0.616 175.501 176.094 0.039 0.000 1.040 667 V CA -0.628 61.693 62.300 0.035 0.000 0.913 667 V CB 1.962 33.714 31.823 -0.118 0.000 0.992 667 V HN 0.863 nan 8.190 nan 0.000 0.449 668 D N 2.556 123.064 120.400 0.179 0.000 2.481 668 D HA 0.764 5.404 4.640 -0.000 0.000 0.244 668 D C -0.368 176.073 176.300 0.235 0.000 1.057 668 D CA -0.097 54.054 54.000 0.251 0.000 0.848 668 D CB 2.566 43.648 40.800 0.469 0.000 1.388 668 D HN 0.728 nan 8.370 nan 0.000 0.475 669 A N 1.195 124.109 122.820 0.157 0.000 2.469 669 A HA 0.768 5.088 4.320 -0.000 0.000 0.299 669 A C -1.586 176.057 177.584 0.098 0.000 1.098 669 A CA -0.662 51.429 52.037 0.090 0.000 0.737 669 A CB 1.774 20.768 19.000 -0.010 0.000 1.312 669 A HN 0.411 nan 8.150 nan 0.000 0.414 670 L N 1.067 122.320 121.223 0.049 0.000 2.482 670 L HA 0.776 5.116 4.340 -0.000 0.000 0.263 670 L C -1.383 175.448 176.870 -0.065 0.000 0.957 670 L CA -0.464 54.365 54.840 -0.018 0.000 0.836 670 L CB 2.271 44.400 42.059 0.117 0.000 1.324 670 L HN 1.199 nan 8.230 nan 0.000 0.406 671 V N 2.129 121.965 119.914 -0.129 0.000 2.447 671 V HA 0.744 4.864 4.120 -0.000 0.000 0.292 671 V C -0.591 175.455 176.094 -0.081 0.000 1.021 671 V CA -0.573 61.683 62.300 -0.073 0.000 0.850 671 V CB 1.350 33.141 31.823 -0.053 0.000 1.005 671 V HN 0.976 nan 8.190 nan 0.000 0.426 672 R N 3.402 123.892 120.500 -0.017 0.000 2.670 672 R HA 0.687 5.027 4.340 -0.000 0.000 0.289 672 R C -2.119 174.258 176.300 0.128 0.000 0.965 672 R CA -0.820 55.292 56.100 0.020 0.000 0.899 672 R CB 2.213 32.513 30.300 0.001 0.000 1.173 672 R HN 0.869 nan 8.270 nan 0.000 0.456 673 Y N 3.038 123.328 120.300 -0.018 0.000 2.329 673 Y HA 0.211 4.761 4.550 -0.000 0.000 0.328 673 Y C -0.947 174.958 175.900 0.008 0.000 0.992 673 Y CA -1.304 56.794 58.100 -0.003 0.000 1.151 673 Y CB 1.301 39.766 38.460 0.008 0.000 1.150 673 Y HN 0.593 nan 8.280 nan 0.000 0.450 674 D N 4.949 125.100 120.400 -0.415 0.000 2.450 674 D HA -0.000 4.639 4.640 -0.000 0.000 0.247 674 D C 0.341 176.311 176.300 -0.551 0.000 1.162 674 D CA 0.328 54.110 54.000 -0.364 0.000 0.879 674 D CB 1.206 41.844 40.800 -0.269 0.000 1.163 674 D HN 0.700 nan 8.370 nan 0.000 0.472 675 L N 4.300 125.377 121.223 -0.242 0.000 2.645 675 L HA 0.118 4.458 4.340 -0.000 0.000 0.235 675 L C 2.172 178.980 176.870 -0.103 0.000 1.150 675 L CA 0.324 55.080 54.840 -0.140 0.000 0.911 675 L CB -0.847 41.236 42.059 0.040 0.000 1.077 675 L HN 0.571 nan 8.230 nan 0.000 0.438 676 A N -0.070 122.672 122.820 -0.130 0.000 1.892 676 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 676 A C 2.055 179.610 177.584 -0.048 0.000 1.188 676 A CA 1.235 53.230 52.037 -0.069 0.000 0.631 676 A CB -0.433 18.532 19.000 -0.059 0.000 0.822 676 A HN 0.409 nan 8.150 nan 0.000 0.447 677 R N -0.747 119.712 120.500 -0.069 0.000 2.808 677 R HA 0.130 4.470 4.340 -0.000 0.000 0.215 677 R C -0.464 175.852 176.300 0.026 0.000 1.569 677 R CA 0.514 56.611 56.100 -0.006 0.000 1.396 677 R CB -0.268 30.048 30.300 0.026 0.000 1.048 677 R HN 0.327 nan 8.270 nan 0.000 0.501 678 V N -1.547 118.374 119.914 0.011 0.000 3.861 678 V HA 0.225 4.344 4.120 -0.000 0.000 0.454 678 V C 0.421 176.516 176.094 0.002 0.000 1.667 678 V CA -0.002 62.311 62.300 0.021 0.000 1.793 678 V CB 0.548 32.395 31.823 0.040 0.000 1.098 678 V HN 0.599 nan 8.190 nan 0.000 0.544 682 G N 0.164 108.967 108.800 0.004 0.000 2.347 682 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.247 682 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.247 682 G C 0.818 175.735 174.900 0.028 0.000 1.037 682 G CA 0.985 46.097 45.100 0.020 0.000 0.622 682 G HN 1.773 nan 8.290 nan 0.000 0.521 683 S N 1.545 117.265 115.700 0.033 0.000 2.645 683 S HA 0.647 5.117 4.470 -0.000 0.000 0.266 683 S C 0.190 174.820 174.600 0.050 0.000 1.258 683 S CA 0.233 58.480 58.200 0.079 0.000 0.990 683 S CB 1.408 64.719 63.200 0.185 0.000 0.967 683 S HN 1.253 nan 8.310 nan 0.000 0.556 684 N N -1.247 117.485 118.700 0.053 0.000 3.127 684 N HA 0.287 5.027 4.740 -0.000 0.000 0.239 684 N C -2.215 173.319 175.510 0.039 0.000 1.407 684 N CA -0.564 52.508 53.050 0.036 0.000 0.891 684 N CB 0.862 39.354 38.487 0.008 0.000 1.447 684 N HN 0.346 nan 8.380 nan 0.000 0.507 685 V N -0.223 119.744 119.914 0.089 0.000 2.604 685 V HA 0.912 5.032 4.120 -0.000 0.000 0.305 685 V C -0.220 175.914 176.094 0.067 0.000 1.043 685 V CA -0.387 61.965 62.300 0.086 0.000 0.888 685 V CB 0.967 32.880 31.823 0.150 0.000 0.995 685 V HN 1.105 nan 8.190 nan 0.000 0.429 686 A N 4.275 127.114 122.820 0.032 0.000 2.527 686 A HA 0.975 5.294 4.320 -0.000 0.000 0.293 686 A C -1.824 175.704 177.584 -0.094 0.000 1.117 686 A CA -0.619 51.388 52.037 -0.050 0.000 0.723 686 A CB 1.916 20.879 19.000 -0.062 0.000 1.313 686 A HN 0.809 nan 8.150 nan 0.000 0.411 687 L N 1.542 122.613 121.223 -0.253 0.000 2.409 687 L HA 0.591 4.931 4.340 -0.000 0.000 0.272 687 L C -1.237 175.422 176.870 -0.353 0.000 0.980 687 L CA -0.016 54.719 54.840 -0.175 0.000 0.826 687 L CB 1.525 43.530 42.059 -0.090 0.000 1.268 687 L HN 0.781 nan 8.230 nan 0.000 0.407 688 H N 4.334 123.403 119.070 -0.003 0.000 2.538 688 H HA 0.671 5.226 4.556 -0.000 0.000 0.353 688 H C -1.189 174.142 175.328 0.006 0.000 1.109 688 H CA -0.776 55.275 56.048 0.005 0.000 1.192 688 H CB 2.392 32.153 29.762 -0.001 0.000 1.555 688 H HN 0.337 nan 8.280 nan 0.000 0.518 689 V N 3.362 123.346 119.914 0.117 0.000 2.588 689 V HA 0.214 4.334 4.120 -0.000 0.000 0.304 689 V C -0.460 175.685 176.094 0.085 0.000 1.042 689 V CA -0.855 61.484 62.300 0.065 0.000 0.877 689 V CB 1.985 33.813 31.823 0.008 0.000 0.996 689 V HN 0.761 nan 8.190 nan 0.000 0.425 690 N N 3.451 122.193 118.700 0.069 0.000 2.314 690 N HA 0.485 5.225 4.740 -0.000 0.000 0.294 690 N C -0.257 175.286 175.510 0.055 0.000 1.029 690 N CA -0.617 52.484 53.050 0.085 0.000 0.845 690 N CB 0.961 39.503 38.487 0.091 0.000 1.321 690 N HN 0.696 nan 8.380 nan 0.000 0.481 691 N N 1.688 120.418 118.700 0.050 0.000 2.699 691 N HA -0.156 4.583 4.740 -0.000 0.000 0.257 691 N C 0.237 175.727 175.510 -0.033 0.000 1.077 691 N CA 0.006 53.080 53.050 0.040 0.000 0.702 691 N CB -0.699 37.856 38.487 0.113 0.000 0.886 691 N HN 0.649 nan 8.380 nan 0.000 0.549 692 L N 0.720 121.838 121.223 -0.175 0.000 2.021 692 L HA -0.039 4.300 4.340 -0.000 0.000 0.215 692 L C 1.346 178.056 176.870 -0.266 0.000 1.074 692 L CA 2.102 56.751 54.840 -0.318 0.000 0.760 692 L CB -0.557 41.135 42.059 -0.612 0.000 0.889 692 L HN 0.398 nan 8.230 nan 0.000 0.433 693 F N 0.161 120.143 119.950 0.054 0.000 2.696 693 F HA 0.161 4.688 4.527 -0.000 0.000 0.296 693 F C 1.166 176.995 175.800 0.048 0.000 1.181 693 F CA -0.494 57.533 58.000 0.045 0.000 1.411 693 F CB -1.559 37.468 39.000 0.044 0.000 1.014 693 F HN 0.135 nan 8.300 nan 0.000 0.512 694 D N 1.847 122.334 120.400 0.145 0.000 2.733 694 D HA -0.289 4.350 4.640 -0.000 0.000 0.228 694 D C 0.873 177.256 176.300 0.139 0.000 1.182 694 D CA 0.398 54.464 54.000 0.111 0.000 0.620 694 D CB -0.416 40.429 40.800 0.075 0.000 1.027 694 D HN 0.430 nan 8.370 nan 0.000 0.415 695 R N 0.543 121.156 120.500 0.188 0.000 2.640 695 R HA 0.069 4.409 4.340 -0.000 0.000 0.270 695 R C -0.010 176.433 176.300 0.239 0.000 1.024 695 R CA 0.344 56.561 56.100 0.196 0.000 1.085 695 R CB 0.523 30.926 30.300 0.172 0.000 0.963 695 R HN 0.137 nan 8.270 nan 0.000 0.426 696 E N 3.543 123.854 120.200 0.186 0.000 2.134 696 E HA 0.202 4.552 4.350 -0.000 0.000 0.278 696 E C -1.566 175.215 176.600 0.300 0.000 0.959 696 E CA -0.571 55.891 56.400 0.103 0.000 0.783 696 E CB 1.105 30.762 29.700 -0.072 0.000 1.095 696 E HN 0.476 nan 8.360 nan 0.000 0.399 697 Y N -1.040 119.302 120.300 0.070 0.000 2.552 697 Y HA 0.463 5.013 4.550 -0.000 0.000 0.337 697 Y C -1.152 174.884 175.900 0.227 0.000 1.094 697 Y CA -1.430 56.727 58.100 0.095 0.000 1.028 697 Y CB 0.336 38.617 38.460 -0.299 0.000 1.321 697 Y HN 0.086 nan 8.280 nan 0.000 0.456 698 V N 3.845 123.894 119.914 0.225 0.000 2.432 698 V HA 0.435 4.555 4.120 -0.000 0.000 0.271 698 V C 1.156 177.284 176.094 0.057 0.000 1.046 698 V CA 0.469 62.769 62.300 0.001 0.000 0.945 698 V CB 0.535 32.263 31.823 -0.157 0.000 0.992 698 V HN 1.156 nan 8.190 nan 0.000 0.471 699 A N 4.866 127.682 122.820 -0.007 0.000 1.877 699 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 699 A C 1.084 178.828 177.584 0.267 0.000 1.186 699 A CA 1.662 53.792 52.037 0.155 0.000 0.620 699 A CB -0.109 18.960 19.000 0.115 0.000 0.822 699 A HN 1.196 nan 8.150 nan 0.000 0.443 700 S N -4.719 111.083 115.700 0.171 0.000 2.660 700 S HA 0.499 4.969 4.470 -0.000 0.000 0.264 700 S C -1.143 173.469 174.600 0.021 0.000 1.131 700 S CA -0.477 57.784 58.200 0.102 0.000 0.846 700 S CB 0.489 63.765 63.200 0.126 0.000 1.151 700 S HN 0.845 nan 8.310 nan 0.000 0.486 701 c N 1.168 119.723 118.600 -0.074 0.000 2.985 701 c HA 0.668 5.238 4.570 -0.000 0.000 0.332 701 c C 0.438 174.405 174.090 -0.206 0.000 1.164 701 c CA -0.882 55.296 56.329 -0.252 0.000 1.347 701 c CB 0.621 42.970 42.510 -0.269 0.000 1.764 701 c HN 1.019 nan 8.230 nan 0.000 0.489 702 F N 0.286 120.045 119.950 -0.318 0.000 2.695 702 F HA 0.486 5.013 4.527 -0.000 0.000 0.303 702 F C 0.377 175.934 175.800 -0.406 0.000 1.091 702 F CA 0.047 57.865 58.000 -0.304 0.000 1.300 702 F CB -0.025 38.811 39.000 -0.273 0.000 1.071 702 F HN 0.544 nan 8.300 nan 0.000 0.578 703 N N -0.343 117.669 118.700 -1.146 0.000 3.545 703 N HA 0.011 4.751 4.740 -0.000 0.000 0.227 703 N C 0.796 175.764 175.510 -0.903 0.000 1.380 703 N CA 0.582 52.994 53.050 -1.065 0.000 0.892 703 N CB 1.305 38.834 38.487 -1.597 0.000 1.441 703 N HN 0.013 nan 8.380 nan 0.000 0.497 704 T N -0.977 113.241 114.554 -0.558 0.000 2.802 704 T HA -0.219 4.130 4.350 -0.000 0.000 0.269 704 T C 1.573 175.969 174.700 -0.506 0.000 1.062 704 T CA 1.985 63.824 62.100 -0.436 0.000 1.133 704 T CB -0.619 68.042 68.868 -0.345 0.000 0.852 704 T HN 0.618 nan 8.240 nan 0.000 0.485 705 Y N 0.303 120.332 120.300 -0.451 0.000 2.449 705 Y HA 0.654 5.203 4.550 -0.000 0.000 0.254 705 Y C 1.249 176.865 175.900 -0.473 0.000 1.140 705 Y CA -1.283 56.582 58.100 -0.391 0.000 1.272 705 Y CB -0.275 37.973 38.460 -0.353 0.000 1.114 705 Y HN 0.229 nan 8.280 nan 0.000 0.525 706 G N 0.995 109.187 108.800 -1.013 0.000 3.205 706 G HA2 0.482 4.442 3.960 -0.000 0.000 0.343 706 G HA3 0.482 4.442 3.960 -0.000 0.000 0.343 706 G C -1.315 172.893 174.900 -1.153 0.000 1.305 706 G CA -0.309 44.062 45.100 -1.214 0.000 1.120 706 G HN 0.252 nan 8.290 nan 0.000 0.472 707 c N 1.123 119.167 118.600 -0.928 0.000 2.529 707 c HA 0.792 5.362 4.570 -0.000 0.000 0.329 707 c C -0.872 172.627 174.090 -0.986 0.000 1.194 707 c CA -0.742 55.088 56.329 -0.832 0.000 1.779 707 c CB 1.002 43.212 42.510 -0.499 0.000 2.322 707 c HN 0.603 nan 8.230 nan 0.000 0.500 708 F N 0.271 120.151 119.950 -0.118 0.000 2.507 708 F HA 0.358 4.885 4.527 -0.000 0.000 0.328 708 F C -0.136 175.614 175.800 -0.084 0.000 1.136 708 F CA -0.701 57.279 58.000 -0.033 0.000 0.930 708 F CB 0.591 39.621 39.000 0.049 0.000 1.166 708 F HN 0.629 nan 8.300 nan 0.000 0.436 709 W N 2.271 123.620 121.300 0.083 0.000 2.223 709 W HA 0.414 5.074 4.660 -0.000 0.000 0.334 709 W C 1.092 177.473 176.519 -0.230 0.000 1.334 709 W CA -0.290 56.992 57.345 -0.104 0.000 1.246 709 W CB 0.705 30.099 29.460 -0.110 0.000 1.184 709 W HN 0.729 nan 8.180 nan 0.000 0.563 710 G N 1.303 109.954 108.800 -0.249 0.000 2.631 710 G HA2 0.433 4.393 3.960 -0.000 0.000 0.271 710 G HA3 0.433 4.393 3.960 -0.000 0.000 0.271 710 G C -0.875 173.754 174.900 -0.452 0.000 1.302 710 G CA -0.594 44.014 45.100 -0.819 0.000 1.002 710 G HN 0.707 nan 8.290 nan 0.000 0.519 711 A N -0.288 122.346 122.820 -0.310 0.000 2.301 711 A HA 0.546 4.866 4.320 -0.000 0.000 0.298 711 A C 0.552 178.123 177.584 -0.023 0.000 1.185 711 A CA -0.467 51.519 52.037 -0.084 0.000 0.830 711 A CB 0.190 19.195 19.000 0.010 0.000 1.112 711 A HN 0.771 nan 8.150 nan 0.000 0.508 712 E N 2.369 122.543 120.200 -0.044 0.000 2.392 712 E HA 0.260 4.609 4.350 -0.000 0.000 0.256 712 E C 0.216 176.827 176.600 0.018 0.000 1.145 712 E CA -0.823 55.567 56.400 -0.017 0.000 0.929 712 E CB 0.611 30.277 29.700 -0.056 0.000 0.998 712 E HN 0.633 nan 8.360 nan 0.000 0.442 713 R N 0.960 121.476 120.500 0.027 0.000 2.566 713 R HA -0.149 4.191 4.340 -0.000 0.000 0.273 713 R C -0.557 175.745 176.300 0.004 0.000 0.981 713 R CA 0.664 56.778 56.100 0.023 0.000 1.091 713 R CB 0.395 30.705 30.300 0.016 0.000 0.924 713 R HN 0.683 nan 8.270 nan 0.000 0.411 714 Q N 3.394 123.200 119.800 0.010 0.000 2.323 714 Q HA 0.409 4.749 4.340 -0.000 0.000 0.271 714 Q C -1.789 174.214 176.000 0.005 0.000 1.048 714 Q CA -0.905 54.897 55.803 -0.002 0.000 0.792 714 Q CB 2.151 30.890 28.738 0.001 0.000 1.280 714 Q HN 0.467 nan 8.270 nan 0.000 0.441 715 V N 4.343 124.251 119.914 -0.010 0.000 2.448 715 V HA 0.555 4.675 4.120 -0.000 0.000 0.295 715 V C -0.727 175.362 176.094 -0.009 0.000 1.025 715 V CA -0.539 61.760 62.300 -0.001 0.000 0.859 715 V CB 1.838 33.653 31.823 -0.014 0.000 0.988 715 V HN 0.637 nan 8.190 nan 0.000 0.431 716 V N 3.613 123.545 119.914 0.029 0.000 2.656 716 V HA 0.838 4.957 4.120 -0.000 0.000 0.307 716 V C 0.069 176.204 176.094 0.069 0.000 1.051 716 V CA -0.735 61.580 62.300 0.025 0.000 0.893 716 V CB 1.916 33.754 31.823 0.026 0.000 0.999 716 V HN 0.938 nan 8.190 nan 0.000 0.426 717 A N 2.791 125.632 122.820 0.034 0.000 2.287 717 A HA 0.830 5.149 4.320 -0.000 0.000 0.317 717 A C -0.064 177.558 177.584 0.063 0.000 1.220 717 A CA -0.408 51.658 52.037 0.049 0.000 0.835 717 A CB 0.925 19.941 19.000 0.028 0.000 1.180 717 A HN 0.759 nan 8.150 nan 0.000 0.500 718 T N 1.687 116.291 114.554 0.085 0.000 2.841 718 T HA 0.681 5.031 4.350 -0.000 0.000 0.283 718 T C -0.302 174.405 174.700 0.011 0.000 1.000 718 T CA -0.056 62.076 62.100 0.053 0.000 0.977 718 T CB 1.673 70.581 68.868 0.067 0.000 0.979 718 T HN 1.163 nan 8.240 nan 0.000 0.446 719 A N 2.346 125.138 122.820 -0.046 0.000 2.363 719 A HA 0.681 5.000 4.320 -0.000 0.000 0.296 719 A C 0.106 177.400 177.584 -0.483 0.000 1.237 719 A CA -0.762 51.138 52.037 -0.228 0.000 0.773 719 A CB 0.790 19.707 19.000 -0.139 0.000 1.153 719 A HN 0.733 nan 8.150 nan 0.000 0.473 720 T N 2.220 116.495 114.554 -0.465 0.000 2.809 720 T HA 0.685 5.035 4.350 -0.000 0.000 0.296 720 T C -1.082 173.419 174.700 -0.331 0.000 1.015 720 T CA -0.342 61.535 62.100 -0.373 0.000 0.954 720 T CB -0.381 68.405 68.868 -0.136 0.000 0.950 720 T HN 0.264 nan 8.240 nan 0.000 0.450 721 F N 3.485 123.496 119.950 0.103 0.000 2.422 721 F HA 0.675 5.202 4.527 -0.000 0.000 0.333 721 F C 0.859 176.654 175.800 -0.007 0.000 1.095 721 F CA -1.341 56.647 58.000 -0.020 0.000 1.038 721 F CB 1.194 40.128 39.000 -0.111 0.000 1.156 721 F HN 0.235 nan 8.300 nan 0.000 0.483 722 R N 2.963 123.509 120.500 0.077 0.000 2.337 722 R HA 0.424 4.764 4.340 -0.000 0.000 0.319 722 R C -1.119 175.168 176.300 -0.021 0.000 0.954 722 R CA -0.618 55.553 56.100 0.118 0.000 0.840 722 R CB 0.924 31.286 30.300 0.103 0.000 1.164 722 R HN 0.476 nan 8.270 nan 0.000 0.472 723 F N 0.000 120.063 119.950 0.189 0.000 2.286 723 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 723 F CA 0.000 58.072 58.000 0.120 0.000 1.383 723 F CB 0.000 39.059 39.000 0.098 0.000 1.145 723 F HN 0.000 nan 8.300 nan 0.000 0.574