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 3nw8_1_B DATA FIRST_RESID 103 DATA SEQUENCE DIKAENTDAN FYVcPPPTGA TVVQFEQPRR cPTRPEGQNY TEGIAVVFKE DATA SEQUENCE NIAPYKFKAT MYYKDVTVSQ VWFGHRSSQF MGIFEDRAPV PFEEVIDKIN DATA SEQUENCE AKGVcRSTAK YVRNNLETTA FHRDDHETDM ELKPANAATR TSRGWHTTDL DATA SEQUENCE KYNPSRVEAF HRYGTTVNcI VEEVDARSVY PYDEFVLATG DFVYMSPFYG DATA SEQUENCE YREGSHTEHT SYAADRFKQV DGFYARDLTT KARATAPTTR NLLTTPKFTV DATA SEQUENCE AWDWVPKRPS VcTMTKWQEV DEMLRSEYGG SFRFSSDAIS TTFTTNLTEY DATA SEQUENCE PLSRVDLGDc IGKDARDAMD RIFARRYNAT HIKVGQPQYY LANGGFLIAY DATA SEQUENCE QPLLSNTLAE LYVREHLREQ SRKXXXXXXX XXXXXXXXXV ERIKTTSSIE DATA SEQUENCE FARLQFTYNH IQRHVNDMLG RVAIAWcELQ NHELTLWNEA RKLNPNAIAS DATA SEQUENCE VTVGRRVSAR MLGDVMAVST cVPVAADNVI VQNSMRISSR PGAcYSRPLV DATA SEQUENCE SFRYEDQGPL VEGQLGENNE LRLTRDAIEP cTVGHRRYFT FGGGYVYFEE DATA SEQUENCE YAYSHQLSRA DITTVSTFID LNITMLEDHE FVPLEVYTRH EIKDSGLLDY DATA SEQUENCE TEVQRRNQLH DLRFADIDTV IH 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 103 D HA 0.000 nan 4.640 nan 0.000 0.175 103 D C 0.000 176.249 176.300 -0.086 0.000 2.045 103 D CA 0.000 53.957 54.000 -0.071 0.000 0.868 103 D CB 0.000 40.766 40.800 -0.057 0.000 0.688 104 I N -0.331 120.150 120.570 -0.149 0.000 2.342 104 I HA 0.501 4.671 4.170 0.000 0.000 0.291 104 I C 0.577 176.641 176.117 -0.088 0.000 1.010 104 I CA -0.715 60.481 61.300 -0.173 0.000 1.308 104 I CB 1.258 39.009 38.000 -0.414 0.000 1.400 104 I HN -0.316 nan 8.210 nan 0.000 0.488 105 K N 4.175 124.578 120.400 0.006 0.000 2.731 105 K HA 0.649 4.969 4.320 0.000 0.000 0.284 105 K C -0.029 176.731 176.600 0.265 0.000 1.027 105 K CA -0.516 55.836 56.287 0.110 0.000 1.040 105 K CB 0.865 33.414 32.500 0.082 0.000 1.334 105 K HN 0.848 nan 8.250 nan 0.000 0.498 106 A N 0.400 123.403 122.820 0.304 0.000 2.306 106 A HA 0.284 4.604 4.320 0.000 0.000 0.330 106 A C 0.739 178.454 177.584 0.217 0.000 1.146 106 A CA -0.267 51.998 52.037 0.380 0.000 0.827 106 A CB 0.643 19.691 19.000 0.081 0.000 1.178 106 A HN 0.646 nan 8.150 nan 0.000 0.490 107 E N 0.125 120.462 120.200 0.228 0.000 2.102 107 E HA -0.053 4.298 4.350 0.000 0.000 0.190 107 E C -0.438 176.222 176.600 0.100 0.000 0.971 107 E CA 0.919 57.415 56.400 0.160 0.000 0.821 107 E CB 0.027 29.839 29.700 0.187 0.000 0.777 107 E HN 0.851 nan 8.360 nan 0.000 0.460 108 N N -0.169 118.576 118.700 0.076 0.000 2.354 108 N HA 0.137 4.877 4.740 0.000 0.000 0.287 108 N C -0.435 175.066 175.510 -0.016 0.000 1.016 108 N CA -0.551 52.516 53.050 0.028 0.000 0.871 108 N CB 1.689 40.191 38.487 0.024 0.000 1.299 108 N HN -0.176 nan 8.380 nan 0.000 0.482 109 T N -3.249 111.296 114.554 -0.014 0.000 3.293 109 T HA 0.088 4.439 4.350 0.000 0.000 0.276 109 T C -0.186 174.487 174.700 -0.045 0.000 1.003 109 T CA -0.598 61.483 62.100 -0.030 0.000 0.916 109 T CB -0.561 68.305 68.868 -0.002 0.000 1.134 109 T HN 0.562 nan 8.240 nan 0.000 0.530 110 D N 1.145 121.513 120.400 -0.052 0.000 2.519 110 D HA 0.489 5.130 4.640 0.000 0.000 0.238 110 D C 0.466 176.718 176.300 -0.080 0.000 1.192 110 D CA -0.463 53.507 54.000 -0.050 0.000 0.835 110 D CB -0.144 40.637 40.800 -0.032 0.000 0.975 110 D HN 0.597 nan 8.370 nan 0.000 0.490 111 A N -0.280 122.465 122.820 -0.125 0.000 2.566 111 A HA 0.666 4.987 4.320 0.000 0.000 0.291 111 A C -1.048 176.399 177.584 -0.228 0.000 1.278 111 A CA -0.914 51.013 52.037 -0.183 0.000 0.711 111 A CB 1.463 20.299 19.000 -0.274 0.000 1.332 111 A HN 0.141 nan 8.150 nan 0.000 0.478 112 N N -0.805 117.698 118.700 -0.328 0.000 2.308 112 N HA 0.573 5.314 4.740 0.000 0.000 0.283 112 N C -1.945 173.131 175.510 -0.724 0.000 1.105 112 N CA -0.211 52.584 53.050 -0.425 0.000 0.840 112 N CB 1.619 39.898 38.487 -0.346 0.000 1.633 112 N HN 0.415 nan 8.380 nan 0.000 0.476 113 F N 1.363 120.952 119.950 -0.600 0.000 2.408 113 F HA 0.512 5.039 4.527 0.000 0.000 0.325 113 F C -0.457 174.835 175.800 -0.846 0.000 1.082 113 F CA -0.166 57.512 58.000 -0.536 0.000 1.032 113 F CB 0.908 39.680 39.000 -0.380 0.000 1.259 113 F HN 0.334 nan 8.300 nan 0.000 0.503 114 Y N 0.058 120.382 120.300 0.039 0.000 2.401 114 Y HA 0.457 5.008 4.550 0.000 0.000 0.330 114 Y C -0.880 174.986 175.900 -0.058 0.000 1.071 114 Y CA -1.210 56.879 58.100 -0.019 0.000 1.049 114 Y CB 1.509 39.961 38.460 -0.013 0.000 1.239 114 Y HN 0.136 nan 8.280 nan 0.000 0.437 115 V N 2.800 122.756 119.914 0.069 0.000 2.432 115 V HA 0.122 4.242 4.120 0.000 0.000 0.271 115 V C -0.213 175.950 176.094 0.115 0.000 1.046 115 V CA -0.362 61.969 62.300 0.052 0.000 0.945 115 V CB 0.568 32.470 31.823 0.131 0.000 0.992 115 V HN 0.942 nan 8.190 nan 0.000 0.471 116 c N 7.910 126.563 118.600 0.088 0.000 2.566 116 c HA 0.331 4.901 4.570 0.000 0.000 0.300 116 c C -2.012 172.120 174.090 0.070 0.000 1.147 116 c CA -1.465 54.910 56.329 0.077 0.000 1.644 116 c CB -0.387 42.159 42.510 0.060 0.000 1.691 116 c HN 0.667 nan 8.230 nan 0.000 0.440 117 P HA 0.194 nan 4.420 nan 0.000 0.271 117 P C -2.532 174.798 177.300 0.049 0.000 1.233 117 P CA -0.960 62.180 63.100 0.067 0.000 0.764 117 P CB 0.094 31.837 31.700 0.071 0.000 0.825 118 P HA 0.013 nan 4.420 nan 0.000 0.263 118 P C -2.195 175.121 177.300 0.027 0.000 1.168 118 P CA -0.152 62.967 63.100 0.032 0.000 0.759 118 P CB -0.985 30.733 31.700 0.030 0.000 0.782 119 P HA 0.058 nan 4.420 nan 0.000 0.272 119 P C 0.818 178.126 177.300 0.013 0.000 1.240 119 P CA 0.039 63.149 63.100 0.016 0.000 0.791 119 P CB 0.297 32.003 31.700 0.011 0.000 0.978 120 T N -3.242 111.318 114.554 0.011 0.000 3.015 120 T HA 0.318 4.668 4.350 0.000 0.000 0.250 120 T C 1.245 175.948 174.700 0.004 0.000 1.057 120 T CA 0.592 62.697 62.100 0.008 0.000 1.066 120 T CB -0.392 68.481 68.868 0.009 0.000 0.959 120 T HN 0.627 nan 8.240 nan 0.000 0.488 121 G N 0.643 109.444 108.800 0.003 0.000 2.192 121 G HA2 -0.079 3.881 3.960 0.000 0.000 0.193 121 G HA3 -0.079 3.881 3.960 0.000 0.000 0.193 121 G C 1.164 176.063 174.900 -0.001 0.000 0.999 121 G CA 0.290 45.389 45.100 -0.001 0.000 0.659 121 G HN 0.827 nan 8.290 nan 0.000 0.503 122 A N 0.264 123.085 122.820 0.002 0.000 1.849 122 A HA 0.230 4.550 4.320 0.000 0.000 0.217 122 A C 1.862 179.446 177.584 0.001 0.000 1.202 122 A CA 2.775 54.813 52.037 0.002 0.000 0.629 122 A CB -1.172 17.831 19.000 0.005 0.000 0.834 122 A HN 1.877 nan 8.150 nan 0.000 0.447 123 T N -2.274 112.281 114.554 0.002 0.000 2.771 123 T HA 0.585 4.935 4.350 0.000 0.000 0.291 123 T C -0.661 174.037 174.700 -0.003 0.000 0.954 123 T CA -0.677 61.424 62.100 0.001 0.000 1.045 123 T CB 1.402 70.272 68.868 0.004 0.000 0.917 123 T HN 0.286 nan 8.240 nan 0.000 0.484 124 V N 4.029 123.940 119.914 -0.005 0.000 2.709 124 V HA 0.704 4.824 4.120 0.000 0.000 0.308 124 V C 0.047 176.135 176.094 -0.011 0.000 1.062 124 V CA -0.613 61.680 62.300 -0.012 0.000 0.901 124 V CB 1.962 33.776 31.823 -0.014 0.000 1.003 124 V HN 1.094 nan 8.190 nan 0.000 0.425 125 V N 3.092 122.995 119.914 -0.018 0.000 3.145 125 V HA 0.889 5.010 4.120 0.000 0.000 0.311 125 V C -1.083 174.995 176.094 -0.028 0.000 1.238 125 V CA -0.689 61.607 62.300 -0.007 0.000 1.066 125 V CB 2.032 33.863 31.823 0.014 0.000 1.144 125 V HN 1.010 nan 8.190 nan 0.000 0.465 126 Q N -0.245 119.559 119.800 0.007 0.000 2.426 126 Q HA 0.495 4.835 4.340 0.000 0.000 0.278 126 Q C -1.730 174.362 176.000 0.154 0.000 1.007 126 Q CA -0.735 55.069 55.803 0.001 0.000 0.850 126 Q CB 2.031 30.774 28.738 0.008 0.000 1.427 126 Q HN 0.717 nan 8.270 nan 0.000 0.391 127 F N 1.738 121.678 119.950 -0.017 0.000 2.504 127 F HA 0.074 4.601 4.527 0.000 0.000 0.369 127 F C 1.151 176.934 175.800 -0.028 0.000 1.082 127 F CA -0.522 57.459 58.000 -0.030 0.000 1.216 127 F CB 0.828 39.819 39.000 -0.015 0.000 1.108 127 F HN 0.680 nan 8.300 nan 0.000 0.554 128 E N 4.303 124.576 120.200 0.122 0.000 2.502 128 E HA -0.091 4.259 4.350 0.000 0.000 0.261 128 E C -0.330 176.296 176.600 0.044 0.000 0.974 128 E CA -0.579 55.849 56.400 0.046 0.000 0.936 128 E CB 0.664 30.357 29.700 -0.011 0.000 0.926 128 E HN 0.474 nan 8.360 nan 0.000 0.459 129 Q N 3.539 123.364 119.800 0.042 0.000 2.368 129 Q HA 0.267 4.607 4.340 0.000 0.000 0.237 129 Q C -2.108 173.906 176.000 0.022 0.000 0.987 129 Q CA -1.977 53.849 55.803 0.039 0.000 0.896 129 Q CB -0.028 28.732 28.738 0.036 0.000 1.241 129 Q HN 0.480 nan 8.270 nan 0.000 0.485 130 P HA -0.029 nan 4.420 nan 0.000 0.263 130 P C -0.322 176.989 177.300 0.018 0.000 1.175 130 P CA 0.555 63.667 63.100 0.019 0.000 0.761 130 P CB 0.490 32.206 31.700 0.027 0.000 0.794 131 R N 1.962 122.472 120.500 0.017 0.000 2.546 131 R HA 0.431 4.771 4.340 0.000 0.000 0.266 131 R C 0.591 176.904 176.300 0.021 0.000 1.086 131 R CA -0.815 55.297 56.100 0.020 0.000 1.160 131 R CB 0.636 30.951 30.300 0.025 0.000 1.138 131 R HN 0.412 nan 8.270 nan 0.000 0.567 132 R N 0.699 121.211 120.500 0.020 0.000 2.254 132 R HA 0.211 4.551 4.340 0.000 0.000 0.318 132 R C -0.990 175.323 176.300 0.022 0.000 1.031 132 R CA -0.419 55.692 56.100 0.018 0.000 0.905 132 R CB 0.550 30.858 30.300 0.013 0.000 1.050 132 R HN 0.588 nan 8.270 nan 0.000 0.456 133 c N 6.543 125.157 118.600 0.022 0.000 2.452 133 c HA 0.374 4.944 4.570 0.000 0.000 0.379 133 c C -1.581 172.520 174.090 0.019 0.000 1.275 133 c CA -1.274 55.071 56.329 0.027 0.000 2.056 133 c CB 0.267 42.793 42.510 0.027 0.000 2.506 133 c HN 0.735 nan 8.230 nan 0.000 0.560 134 P HA 0.301 nan 4.420 nan 0.000 0.273 134 P C -0.372 176.932 177.300 0.006 0.000 1.258 134 P CA 0.139 63.245 63.100 0.011 0.000 0.802 134 P CB 0.339 32.045 31.700 0.011 0.000 1.040 135 T N -0.340 114.214 114.554 -0.000 0.000 2.909 135 T HA 0.385 4.735 4.350 0.000 0.000 0.299 135 T C -0.346 174.349 174.700 -0.009 0.000 1.073 135 T CA -0.873 61.225 62.100 -0.004 0.000 0.999 135 T CB 1.330 70.195 68.868 -0.006 0.000 1.098 135 T HN 0.189 nan 8.240 nan 0.000 0.477 136 R N 1.736 122.230 120.500 -0.011 0.000 2.537 136 R HA 0.284 4.624 4.340 0.000 0.000 0.280 136 R C -2.172 174.118 176.300 -0.017 0.000 1.058 136 R CA -1.137 54.954 56.100 -0.016 0.000 1.057 136 R CB -0.180 30.110 30.300 -0.017 0.000 0.973 136 R HN 0.385 nan 8.270 nan 0.000 0.438 137 P HA -0.068 nan 4.420 nan 0.000 0.269 137 P C -0.121 177.161 177.300 -0.029 0.000 1.211 137 P CA 0.117 63.201 63.100 -0.026 0.000 0.781 137 P CB 0.472 32.156 31.700 -0.028 0.000 0.877 138 E N 0.660 120.838 120.200 -0.038 0.000 2.455 138 E HA 0.077 4.427 4.350 0.000 0.000 0.202 138 E C 0.720 177.298 176.600 -0.036 0.000 1.045 138 E CA 0.596 56.974 56.400 -0.036 0.000 0.872 138 E CB -0.398 29.275 29.700 -0.045 0.000 0.792 138 E HN 0.747 nan 8.360 nan 0.000 0.542 139 G N 1.826 110.602 108.800 -0.039 0.000 3.019 139 G HA2 -0.220 3.740 3.960 0.000 0.000 0.686 139 G HA3 -0.220 3.740 3.960 0.000 0.000 0.686 139 G C -0.668 174.188 174.900 -0.074 0.000 1.056 139 G CA -0.743 44.339 45.100 -0.030 0.000 0.774 139 G HN 0.089 nan 8.290 nan 0.000 0.583 140 Q N 0.571 120.316 119.800 -0.091 0.000 2.337 140 Q HA 0.391 4.731 4.340 0.000 0.000 0.270 140 Q C 0.367 176.176 176.000 -0.318 0.000 1.002 140 Q CA 0.078 55.722 55.803 -0.265 0.000 0.888 140 Q CB 0.397 28.935 28.738 -0.334 0.000 1.222 140 Q HN 0.578 nan 8.270 nan 0.000 0.400 141 N N 3.622 122.101 118.700 -0.367 0.000 2.439 141 N HA 0.196 4.936 4.740 0.000 0.000 0.249 141 N C -1.433 173.901 175.510 -0.293 0.000 1.003 141 N CA -0.044 52.868 53.050 -0.229 0.000 0.942 141 N CB 0.444 38.851 38.487 -0.134 0.000 1.115 141 N HN 0.454 nan 8.380 nan 0.000 0.505 142 Y N 0.462 120.800 120.300 0.063 0.000 2.335 142 Y HA 0.281 4.832 4.550 0.000 0.000 0.339 142 Y C 0.661 176.627 175.900 0.110 0.000 0.987 142 Y CA -0.723 57.431 58.100 0.089 0.000 1.140 142 Y CB 1.215 39.735 38.460 0.100 0.000 1.173 142 Y HN 0.245 nan 8.280 nan 0.000 0.486 143 T N 4.310 119.025 114.554 0.268 0.000 2.771 143 T HA 0.183 4.533 4.350 0.000 0.000 0.291 143 T C -0.083 174.806 174.700 0.315 0.000 0.954 143 T CA -0.816 61.435 62.100 0.253 0.000 1.045 143 T CB 0.301 69.304 68.868 0.226 0.000 0.917 143 T HN 0.554 nan 8.240 nan 0.000 0.484 144 E N 1.263 121.628 120.200 0.275 0.000 2.392 144 E HA 0.539 4.890 4.350 0.000 0.000 0.259 144 E C 0.426 177.144 176.600 0.198 0.000 1.108 144 E CA -0.516 56.031 56.400 0.245 0.000 0.916 144 E CB 0.769 30.592 29.700 0.205 0.000 0.989 144 E HN 0.816 nan 8.360 nan 0.000 0.432 145 G N 1.059 109.878 108.800 0.031 0.000 2.433 145 G HA2 0.248 4.208 3.960 0.000 0.000 0.306 145 G HA3 0.248 4.208 3.960 0.000 0.000 0.306 145 G C -1.030 173.557 174.900 -0.521 0.000 1.627 145 G CA -0.983 43.804 45.100 -0.522 0.000 0.893 145 G HN 0.360 nan 8.290 nan 0.000 0.648 146 I N 1.365 121.587 120.570 -0.580 0.000 2.441 146 I HA 0.512 4.682 4.170 0.000 0.000 0.287 146 I C 0.842 176.786 176.117 -0.288 0.000 1.049 146 I CA -0.225 60.866 61.300 -0.349 0.000 1.381 146 I CB 1.497 39.291 38.000 -0.344 0.000 1.409 146 I HN 0.676 nan 8.210 nan 0.000 0.523 147 A N 6.349 129.118 122.820 -0.085 0.000 2.374 147 A HA 0.850 5.170 4.320 0.000 0.000 0.317 147 A C -0.896 176.653 177.584 -0.059 0.000 1.094 147 A CA -0.518 51.514 52.037 -0.008 0.000 0.765 147 A CB 1.753 20.828 19.000 0.124 0.000 1.268 147 A HN 0.441 nan 8.150 nan 0.000 0.438 148 V N 1.792 121.674 119.914 -0.054 0.000 2.638 148 V HA 0.470 4.590 4.120 0.000 0.000 0.306 148 V C -0.757 175.301 176.094 -0.060 0.000 1.052 148 V CA -0.504 61.748 62.300 -0.080 0.000 0.885 148 V CB 1.858 33.666 31.823 -0.026 0.000 0.999 148 V HN 0.686 nan 8.190 nan 0.000 0.424 149 V N 5.313 125.145 119.914 -0.138 0.000 2.357 149 V HA 0.517 4.637 4.120 0.000 0.000 0.284 149 V C -0.527 175.609 176.094 0.070 0.000 1.018 149 V CA -0.454 61.840 62.300 -0.010 0.000 0.841 149 V CB 1.144 32.945 31.823 -0.036 0.000 0.991 149 V HN 0.630 nan 8.190 nan 0.000 0.437 150 F N 3.947 124.005 119.950 0.181 0.000 2.399 150 F HA 0.678 5.205 4.527 0.000 0.000 0.328 150 F C 0.538 176.473 175.800 0.224 0.000 1.084 150 F CA -0.490 57.626 58.000 0.194 0.000 1.053 150 F CB 1.505 40.566 39.000 0.102 0.000 1.209 150 F HN 0.462 nan 8.300 nan 0.000 0.502 151 K N 0.153 120.751 120.400 0.330 0.000 2.443 151 K HA 0.377 4.697 4.320 0.000 0.000 0.251 151 K C -0.950 175.671 176.600 0.034 0.000 0.972 151 K CA -1.056 55.300 56.287 0.115 0.000 0.833 151 K CB 1.795 34.303 32.500 0.013 0.000 1.317 151 K HN 0.611 nan 8.250 nan 0.000 0.441 152 E N 2.383 122.530 120.200 -0.089 0.000 2.614 152 E HA -0.167 4.183 4.350 0.000 0.000 0.245 152 E C -0.545 176.041 176.600 -0.023 0.000 1.039 152 E CA 0.002 56.358 56.400 -0.072 0.000 0.948 152 E CB 0.295 29.917 29.700 -0.131 0.000 0.937 152 E HN 0.541 nan 8.360 nan 0.000 0.498 153 N N 5.813 124.531 118.700 0.030 0.000 2.416 153 N HA -0.053 4.688 4.740 0.000 0.000 0.271 153 N C 0.791 176.331 175.510 0.050 0.000 1.245 153 N CA 0.063 53.152 53.050 0.065 0.000 0.940 153 N CB 0.360 38.915 38.487 0.114 0.000 1.175 153 N HN 0.643 nan 8.380 nan 0.000 0.483 154 I N 0.790 121.380 120.570 0.033 0.000 3.883 154 I HA 0.315 4.485 4.170 0.000 0.000 0.326 154 I C 0.585 176.735 176.117 0.054 0.000 1.283 154 I CA -0.555 60.761 61.300 0.027 0.000 1.161 154 I CB 0.165 38.163 38.000 -0.003 0.000 1.012 154 I HN 0.248 nan 8.210 nan 0.000 0.421 155 A N 3.083 125.950 122.820 0.079 0.000 2.404 155 A HA 0.524 4.844 4.320 0.000 0.000 0.273 155 A C -2.304 175.366 177.584 0.143 0.000 1.144 155 A CA -1.091 51.001 52.037 0.091 0.000 0.806 155 A CB -0.622 18.432 19.000 0.090 0.000 1.080 155 A HN 0.157 nan 8.150 nan 0.000 0.509 156 P HA 0.028 nan 4.420 nan 0.000 0.269 156 P C -0.460 176.997 177.300 0.262 0.000 1.209 156 P CA 0.149 63.363 63.100 0.190 0.000 0.776 156 P CB 0.172 31.934 31.700 0.103 0.000 0.876 157 Y N 3.380 123.866 120.300 0.311 0.000 2.620 157 Y HA 0.075 4.625 4.550 0.000 0.000 0.330 157 Y C 0.125 176.146 175.900 0.202 0.000 1.186 157 Y CA 0.576 58.834 58.100 0.264 0.000 1.467 157 Y CB 0.238 38.890 38.460 0.319 0.000 1.262 157 Y HN 0.223 nan 8.280 nan 0.000 0.550 158 K N 7.886 128.017 120.400 -0.448 0.000 2.324 158 K HA 0.554 4.874 4.320 0.000 0.000 0.253 158 K C -1.518 174.800 176.600 -0.471 0.000 0.932 158 K CA -0.716 55.343 56.287 -0.379 0.000 0.799 158 K CB 1.941 34.319 32.500 -0.203 0.000 1.154 158 K HN 0.636 nan 8.250 nan 0.000 0.425 159 F N -1.302 118.336 119.950 -0.520 0.000 2.711 159 F HA 0.552 5.079 4.527 0.000 0.000 0.313 159 F C -1.159 174.508 175.800 -0.222 0.000 1.141 159 F CA -1.365 56.407 58.000 -0.379 0.000 0.941 159 F CB 1.256 40.011 39.000 -0.408 0.000 1.349 159 F HN 0.091 nan 8.300 nan 0.000 0.464 160 K N 1.273 121.649 120.400 -0.040 0.000 2.118 160 K HA 0.882 5.202 4.320 0.000 0.000 0.254 160 K C -0.758 175.869 176.600 0.046 0.000 0.961 160 K CA -0.769 55.470 56.287 -0.080 0.000 0.876 160 K CB 1.906 34.413 32.500 0.012 0.000 1.077 160 K HN 0.941 nan 8.250 nan 0.000 0.440 161 A N 0.810 123.628 122.820 -0.003 0.000 2.534 161 A HA 0.728 5.048 4.320 0.000 0.000 0.300 161 A C -1.345 176.298 177.584 0.098 0.000 1.223 161 A CA -0.625 51.495 52.037 0.138 0.000 0.666 161 A CB 1.897 20.962 19.000 0.108 0.000 1.316 161 A HN 0.522 nan 8.150 nan 0.000 0.468 162 T N 1.132 115.769 114.554 0.137 0.000 2.971 162 T HA 0.533 4.883 4.350 0.000 0.000 0.304 162 T C -0.727 173.923 174.700 -0.083 0.000 1.038 162 T CA -0.268 61.828 62.100 -0.006 0.000 1.007 162 T CB 1.090 69.934 68.868 -0.039 0.000 1.055 162 T HN 0.547 nan 8.240 nan 0.000 0.451 163 M N 3.078 122.583 119.600 -0.158 0.000 2.209 163 M HA 0.466 4.946 4.480 0.000 0.000 0.355 163 M C -1.374 174.814 176.300 -0.187 0.000 1.171 163 M CA -0.548 54.731 55.300 -0.035 0.000 1.069 163 M CB 1.004 33.621 32.600 0.027 0.000 1.622 163 M HN 0.609 nan 8.290 nan 0.000 0.459 164 Y N 3.518 123.983 120.300 0.275 0.000 2.338 164 Y HA 0.512 5.062 4.550 0.000 0.000 0.328 164 Y C -0.637 175.422 175.900 0.266 0.000 0.965 164 Y CA -0.831 57.373 58.100 0.174 0.000 1.208 164 Y CB 0.783 39.324 38.460 0.134 0.000 1.132 164 Y HN 0.599 nan 8.280 nan 0.000 0.469 165 Y N -0.849 119.564 120.300 0.187 0.000 2.689 165 Y HA 0.799 5.349 4.550 0.000 0.000 0.333 165 Y C -1.696 174.234 175.900 0.051 0.000 1.190 165 Y CA -2.008 56.160 58.100 0.113 0.000 1.063 165 Y CB 1.695 40.219 38.460 0.108 0.000 1.294 165 Y HN 0.234 nan 8.280 nan 0.000 0.466 166 K N 1.410 121.905 120.400 0.158 0.000 2.545 166 K HA 0.244 4.564 4.320 0.000 0.000 0.252 166 K C -2.015 174.643 176.600 0.096 0.000 0.948 166 K CA -0.867 55.444 56.287 0.041 0.000 0.827 166 K CB 1.739 34.225 32.500 -0.024 0.000 1.128 166 K HN 0.586 nan 8.250 nan 0.000 0.429 167 D N 2.385 122.857 120.400 0.121 0.000 2.342 167 D HA 0.049 4.689 4.640 0.000 0.000 0.260 167 D C -0.417 175.908 176.300 0.041 0.000 1.278 167 D CA 0.124 54.179 54.000 0.092 0.000 0.910 167 D CB 0.797 41.654 40.800 0.094 0.000 1.079 167 D HN 0.041 nan 8.370 nan 0.000 0.496 168 V N 3.474 123.391 119.914 0.005 0.000 2.350 168 V HA 0.310 4.430 4.120 0.000 0.000 0.276 168 V C 0.428 176.505 176.094 -0.030 0.000 1.028 168 V CA -0.293 62.022 62.300 0.025 0.000 0.860 168 V CB 1.543 33.401 31.823 0.059 0.000 0.990 168 V HN 0.441 nan 8.190 nan 0.000 0.453 169 T N 4.779 119.349 114.554 0.028 0.000 2.847 169 T HA 0.475 4.825 4.350 0.000 0.000 0.291 169 T C -0.380 174.376 174.700 0.094 0.000 0.998 169 T CA -0.335 61.764 62.100 -0.002 0.000 0.967 169 T CB 1.492 70.362 68.868 0.003 0.000 0.954 169 T HN 0.296 nan 8.240 nan 0.000 0.441 170 V N 4.102 124.090 119.914 0.123 0.000 2.394 170 V HA 0.625 4.745 4.120 0.000 0.000 0.282 170 V C 0.338 176.548 176.094 0.194 0.000 1.031 170 V CA -0.771 61.669 62.300 0.233 0.000 0.881 170 V CB 1.375 33.419 31.823 0.369 0.000 0.982 170 V HN 0.999 nan 8.190 nan 0.000 0.451 171 S N 4.728 120.535 115.700 0.178 0.000 2.482 171 S HA 0.704 5.174 4.470 0.000 0.000 0.303 171 S C -0.838 173.823 174.600 0.101 0.000 1.091 171 S CA -0.883 57.412 58.200 0.159 0.000 1.057 171 S CB 1.657 65.001 63.200 0.240 0.000 1.031 171 S HN 0.698 nan 8.310 nan 0.000 0.485 172 Q N 1.740 121.559 119.800 0.033 0.000 2.312 172 Q HA 0.725 5.066 4.340 0.000 0.000 0.263 172 Q C -1.192 174.702 176.000 -0.176 0.000 0.995 172 Q CA -1.029 54.649 55.803 -0.209 0.000 0.853 172 Q CB 2.269 30.768 28.738 -0.399 0.000 1.300 172 Q HN 0.614 nan 8.270 nan 0.000 0.448 173 V N 1.343 121.056 119.914 -0.336 0.000 2.876 173 V HA 0.464 4.584 4.120 0.000 0.000 0.312 173 V C -1.323 174.458 176.094 -0.523 0.000 1.085 173 V CA -0.963 61.042 62.300 -0.492 0.000 0.945 173 V CB 2.188 33.582 31.823 -0.715 0.000 1.017 173 V HN 0.728 nan 8.190 nan 0.000 0.428 174 W N 4.565 125.487 121.300 -0.630 0.000 2.529 174 W HA 0.742 5.402 4.660 0.000 0.000 0.321 174 W C -1.559 174.681 176.519 -0.464 0.000 1.047 174 W CA -2.142 55.002 57.345 -0.336 0.000 1.216 174 W CB 1.438 30.855 29.460 -0.071 0.000 1.357 174 W HN 0.407 nan 8.180 nan 0.000 0.489 175 F N 3.960 124.266 119.950 0.593 0.000 2.421 175 F HA 0.680 5.207 4.527 0.000 0.000 0.337 175 F C 1.078 176.915 175.800 0.062 0.000 1.105 175 F CA -0.404 57.718 58.000 0.202 0.000 1.049 175 F CB 1.341 40.432 39.000 0.151 0.000 1.139 175 F HN 0.375 nan 8.300 nan 0.000 0.479 176 G N 0.283 109.126 108.800 0.072 0.000 2.735 176 G HA2 0.219 4.179 3.960 0.000 0.000 0.301 176 G HA3 0.219 4.179 3.960 0.000 0.000 0.301 176 G C 0.351 175.225 174.900 -0.042 0.000 1.279 176 G CA -0.427 44.626 45.100 -0.079 0.000 1.019 176 G HN 0.697 nan 8.290 nan 0.000 0.497 177 H N -0.038 119.042 119.070 0.018 0.000 2.387 177 H HA -0.051 4.505 4.556 0.000 0.000 0.299 177 H C 2.284 177.622 175.328 0.017 0.000 1.090 177 H CA 1.902 57.963 56.048 0.022 0.000 1.332 177 H CB 0.366 30.131 29.762 0.005 0.000 1.386 177 H HN 0.530 nan 8.280 nan 0.000 0.516 178 R N 0.648 121.218 120.500 0.116 0.000 2.642 178 R HA 0.406 4.746 4.340 0.000 0.000 0.435 178 R C 0.207 176.525 176.300 0.030 0.000 1.046 178 R CA 0.407 56.545 56.100 0.064 0.000 1.103 178 R CB -0.190 30.139 30.300 0.048 0.000 1.425 178 R HN 0.457 nan 8.270 nan 0.000 0.586 179 S N -2.675 113.038 115.700 0.023 0.000 2.669 179 S HA 0.813 5.283 4.470 0.000 0.000 0.266 179 S C -0.825 173.763 174.600 -0.019 0.000 1.149 179 S CA -0.007 58.187 58.200 -0.009 0.000 0.842 179 S CB 1.444 64.620 63.200 -0.041 0.000 1.160 179 S HN 0.508 nan 8.310 nan 0.000 0.487 180 S N -0.246 115.405 115.700 -0.081 0.000 2.643 180 S HA 0.792 5.262 4.470 0.000 0.000 0.270 180 S C -1.969 172.492 174.600 -0.232 0.000 1.166 180 S CA -0.829 57.273 58.200 -0.163 0.000 0.815 180 S CB 1.933 65.037 63.200 -0.159 0.000 1.139 180 S HN 0.959 nan 8.310 nan 0.000 0.472 181 Q N 0.120 119.730 119.800 -0.318 0.000 2.479 181 Q HA 0.481 4.821 4.340 0.000 0.000 0.276 181 Q C -2.006 173.809 176.000 -0.309 0.000 0.989 181 Q CA -0.569 55.080 55.803 -0.257 0.000 0.864 181 Q CB 0.944 29.589 28.738 -0.154 0.000 1.444 181 Q HN 0.537 nan 8.270 nan 0.000 0.388 182 F N 3.861 123.743 119.950 -0.114 0.000 2.471 182 F HA 0.124 4.651 4.527 0.000 0.000 0.365 182 F C 1.384 177.123 175.800 -0.102 0.000 1.095 182 F CA -0.074 57.856 58.000 -0.117 0.000 1.174 182 F CB 0.704 39.656 39.000 -0.080 0.000 1.105 182 F HN 0.618 nan 8.300 nan 0.000 0.535 183 M N 2.053 121.668 119.600 0.027 0.000 2.193 183 M HA 0.156 4.636 4.480 0.000 0.000 0.265 183 M C 0.963 177.271 176.300 0.013 0.000 1.071 183 M CA 0.665 55.947 55.300 -0.030 0.000 1.140 183 M CB -0.688 31.776 32.600 -0.226 0.000 1.369 183 M HN 0.573 nan 8.290 nan 0.000 0.423 184 G N 0.452 109.272 108.800 0.033 0.000 2.761 184 G HA2 0.559 4.519 3.960 0.000 0.000 0.296 184 G HA3 0.559 4.519 3.960 0.000 0.000 0.296 184 G C -1.345 173.589 174.900 0.056 0.000 1.416 184 G CA -0.643 44.483 45.100 0.043 0.000 1.105 184 G HN 0.167 nan 8.290 nan 0.000 0.565 185 I N 2.610 123.184 120.570 0.006 0.000 2.388 185 I HA 0.256 4.426 4.170 0.000 0.000 0.281 185 I C -0.695 175.462 176.117 0.068 0.000 1.046 185 I CA -0.678 60.602 61.300 -0.034 0.000 1.187 185 I CB 1.254 39.107 38.000 -0.245 0.000 1.351 185 I HN 0.442 nan 8.210 nan 0.000 0.472 186 F N 7.692 127.643 119.950 0.002 0.000 2.377 186 F HA 0.326 4.853 4.527 0.000 0.000 0.360 186 F C 0.534 176.359 175.800 0.041 0.000 1.147 186 F CA -0.657 57.361 58.000 0.029 0.000 1.170 186 F CB 0.335 39.370 39.000 0.059 0.000 1.339 186 F HN 0.459 nan 8.300 nan 0.000 0.552 187 E N 3.597 123.546 120.200 -0.419 0.000 2.216 187 E HA 0.433 4.783 4.350 0.000 0.000 0.279 187 E C -1.403 174.867 176.600 -0.550 0.000 0.997 187 E CA -0.914 55.230 56.400 -0.426 0.000 0.817 187 E CB 2.014 31.598 29.700 -0.194 0.000 1.096 187 E HN 0.482 nan 8.360 nan 0.000 0.393 188 D N 1.129 121.265 120.400 -0.440 0.000 2.559 188 D HA 0.367 5.007 4.640 0.000 0.000 0.250 188 D C -1.485 174.748 176.300 -0.112 0.000 1.135 188 D CA -0.890 52.948 54.000 -0.271 0.000 0.955 188 D CB 1.914 42.560 40.800 -0.256 0.000 1.442 188 D HN 0.451 nan 8.370 nan 0.000 0.471 189 R N 1.087 121.551 120.500 -0.060 0.000 2.502 189 R HA 0.789 5.129 4.340 0.000 0.000 0.298 189 R C -1.673 174.554 176.300 -0.122 0.000 1.018 189 R CA -0.601 55.471 56.100 -0.047 0.000 0.899 189 R CB 1.281 31.553 30.300 -0.047 0.000 1.181 189 R HN 0.368 nan 8.270 nan 0.000 0.444 190 A N 5.242 127.912 122.820 -0.250 0.000 2.337 190 A HA 0.763 5.083 4.320 0.000 0.000 0.331 190 A C -2.641 174.833 177.584 -0.183 0.000 1.137 190 A CA -2.082 49.605 52.037 -0.585 0.000 0.807 190 A CB 1.331 19.432 19.000 -1.498 0.000 1.250 190 A HN 0.540 nan 8.150 nan 0.000 0.468 191 P HA 0.307 nan 4.420 nan 0.000 0.274 191 P C -0.733 176.599 177.300 0.054 0.000 1.231 191 P CA -0.244 62.891 63.100 0.059 0.000 0.790 191 P CB 0.799 32.532 31.700 0.056 0.000 0.951 192 V N 4.806 124.792 119.914 0.119 0.000 2.353 192 V HA 0.200 4.321 4.120 0.000 0.000 0.264 192 V C -1.974 174.149 176.094 0.049 0.000 1.049 192 V CA -1.759 60.583 62.300 0.070 0.000 0.896 192 V CB 0.396 32.270 31.823 0.085 0.000 1.025 192 V HN 0.552 nan 8.190 nan 0.000 0.475 193 P HA -0.087 nan 4.420 nan 0.000 0.264 193 P C 0.736 178.061 177.300 0.042 0.000 1.179 193 P CA 0.120 63.258 63.100 0.063 0.000 0.763 193 P CB 0.370 32.100 31.700 0.049 0.000 0.806 194 F N 3.820 123.739 119.950 -0.051 0.000 2.085 194 F HA -0.306 4.222 4.527 0.000 0.000 0.299 194 F C 1.726 177.471 175.800 -0.092 0.000 1.096 194 F CA 2.091 60.038 58.000 -0.089 0.000 1.227 194 F CB -0.667 38.285 39.000 -0.081 0.000 0.983 194 F HN 0.306 nan 8.300 nan 0.000 0.482 195 E N 0.321 120.288 120.200 -0.389 0.000 2.058 195 E HA -0.243 4.108 4.350 0.000 0.000 0.194 195 E C 2.205 178.603 176.600 -0.337 0.000 0.997 195 E CA 1.666 57.783 56.400 -0.472 0.000 0.801 195 E CB -0.528 29.059 29.700 -0.189 0.000 0.746 195 E HN 0.701 nan 8.360 nan 0.000 0.450 196 E N 0.207 120.283 120.200 -0.206 0.000 2.153 196 E HA -0.143 4.207 4.350 0.000 0.000 0.194 196 E C 1.675 178.153 176.600 -0.203 0.000 0.988 196 E CA 0.879 57.185 56.400 -0.156 0.000 0.811 196 E CB 0.174 29.820 29.700 -0.090 0.000 0.746 196 E HN 0.083 nan 8.360 nan 0.000 0.466 197 V N 1.246 120.990 119.914 -0.283 0.000 2.759 197 V HA -0.206 3.914 4.120 0.000 0.000 0.256 197 V C 1.970 177.884 176.094 -0.299 0.000 1.080 197 V CA 0.920 62.991 62.300 -0.383 0.000 1.101 197 V CB -0.273 31.247 31.823 -0.505 0.000 0.698 197 V HN 0.382 nan 8.190 nan 0.000 0.477 198 I N -0.474 119.911 120.570 -0.309 0.000 2.947 198 I HA 0.058 4.228 4.170 0.000 0.000 0.263 198 I C 1.975 178.002 176.117 -0.151 0.000 1.130 198 I CA 0.900 62.071 61.300 -0.215 0.000 1.448 198 I CB -1.010 36.793 38.000 -0.328 0.000 1.222 198 I HN 0.273 nan 8.210 nan 0.000 0.453 199 D N 1.289 121.586 120.400 -0.172 0.000 2.162 199 D HA -0.085 4.555 4.640 0.000 0.000 0.203 199 D C 2.044 178.288 176.300 -0.092 0.000 0.967 199 D CA 1.181 55.111 54.000 -0.117 0.000 0.840 199 D CB 0.310 41.041 40.800 -0.114 0.000 0.972 199 D HN 0.135 nan 8.370 nan 0.000 0.482 200 K N 0.090 120.431 120.400 -0.098 0.000 2.157 200 K HA 0.275 4.595 4.320 0.000 0.000 0.207 200 K C 2.181 178.737 176.600 -0.074 0.000 1.030 200 K CA 0.167 56.409 56.287 -0.076 0.000 0.965 200 K CB -0.208 32.253 32.500 -0.067 0.000 0.877 200 K HN 0.007 nan 8.250 nan 0.000 0.460 201 I N 0.944 121.464 120.570 -0.083 0.000 2.163 201 I HA -0.218 3.952 4.170 0.000 0.000 0.240 201 I C 1.882 177.960 176.117 -0.064 0.000 1.081 201 I CA 1.377 62.639 61.300 -0.064 0.000 1.353 201 I CB -0.251 37.724 38.000 -0.043 0.000 1.054 201 I HN 0.202 nan 8.210 nan 0.000 0.407 202 N N 0.722 119.385 118.700 -0.062 0.000 2.354 202 N HA -0.049 4.691 4.740 0.000 0.000 0.179 202 N C 1.599 177.072 175.510 -0.061 0.000 1.021 202 N CA 1.179 54.207 53.050 -0.036 0.000 0.887 202 N CB 0.125 38.627 38.487 0.025 0.000 0.974 202 N HN 0.313 nan 8.380 nan 0.000 0.437 203 A N -0.110 122.670 122.820 -0.066 0.000 1.924 203 A HA 0.167 4.487 4.320 0.000 0.000 0.211 203 A C 1.486 179.030 177.584 -0.066 0.000 1.198 203 A CA 0.875 52.872 52.037 -0.066 0.000 0.657 203 A CB 0.182 19.145 19.000 -0.062 0.000 0.852 203 A HN 0.305 nan 8.150 nan 0.000 0.454 204 K N -1.979 118.381 120.400 -0.066 0.000 2.517 204 K HA 0.338 4.658 4.320 0.000 0.000 0.210 204 K C 0.661 177.220 176.600 -0.069 0.000 1.166 204 K CA 0.364 56.614 56.287 -0.062 0.000 1.030 204 K CB 0.892 33.361 32.500 -0.051 0.000 0.974 204 K HN 0.561 nan 8.250 nan 0.000 0.585 205 G N 2.022 110.772 108.800 -0.083 0.000 2.225 205 G HA2 -0.279 3.682 3.960 0.000 0.000 0.267 205 G HA3 -0.279 3.682 3.960 0.000 0.000 0.267 205 G C 0.314 175.168 174.900 -0.076 0.000 1.024 205 G CA 0.592 45.632 45.100 -0.100 0.000 0.784 205 G HN 0.238 nan 8.290 nan 0.000 0.507 206 V N -3.840 116.037 119.914 -0.061 0.000 3.267 206 V HA 0.920 5.041 4.120 0.000 0.000 0.317 206 V C 0.654 176.722 176.094 -0.043 0.000 1.131 206 V CA -0.876 61.395 62.300 -0.048 0.000 1.031 206 V CB 1.871 33.670 31.823 -0.040 0.000 1.159 206 V HN 0.952 nan 8.190 nan 0.000 0.454 207 c N 0.435 119.013 118.600 -0.037 0.000 3.181 207 c HA 0.511 5.081 4.570 0.000 0.000 0.362 207 c C -0.095 173.979 174.090 -0.028 0.000 1.125 207 c CA -0.670 55.640 56.329 -0.032 0.000 1.265 207 c CB 1.711 44.204 42.510 -0.029 0.000 1.632 207 c HN 1.078 nan 8.230 nan 0.000 0.525 208 R N 2.041 122.528 120.500 -0.022 0.000 2.590 208 R HA 0.214 4.554 4.340 0.000 0.000 0.274 208 R C 1.309 177.602 176.300 -0.010 0.000 1.061 208 R CA 0.600 56.695 56.100 -0.008 0.000 1.081 208 R CB 0.716 31.013 30.300 -0.005 0.000 0.984 208 R HN 0.892 nan 8.270 nan 0.000 0.448 209 S N -0.194 115.516 115.700 0.016 0.000 2.603 209 S HA -0.058 4.413 4.470 0.000 0.000 0.220 209 S C 0.769 175.403 174.600 0.058 0.000 0.967 209 S CA 0.161 58.379 58.200 0.029 0.000 0.920 209 S CB -0.154 63.099 63.200 0.089 0.000 0.773 209 S HN 0.711 nan 8.310 nan 0.000 0.529 210 T N -0.893 113.665 114.554 0.006 0.000 2.940 210 T HA 0.829 5.179 4.350 0.000 0.000 0.288 210 T C -0.437 174.219 174.700 -0.075 0.000 1.033 210 T CA -0.571 61.469 62.100 -0.100 0.000 1.033 210 T CB 1.732 70.458 68.868 -0.237 0.000 1.079 210 T HN 0.385 nan 8.240 nan 0.000 0.496 211 A N 1.463 124.236 122.820 -0.079 0.000 2.340 211 A HA 0.820 5.140 4.320 0.000 0.000 0.331 211 A C -0.297 177.340 177.584 0.088 0.000 1.140 211 A CA -0.973 51.078 52.037 0.024 0.000 0.801 211 A CB 1.231 20.267 19.000 0.060 0.000 1.234 211 A HN 0.945 nan 8.150 nan 0.000 0.469 212 K N 1.559 122.083 120.400 0.206 0.000 2.731 212 K HA 0.528 4.848 4.320 0.000 0.000 0.257 212 K C -1.717 175.064 176.600 0.302 0.000 1.032 212 K CA -0.375 56.021 56.287 0.182 0.000 0.983 212 K CB 0.813 33.340 32.500 0.045 0.000 1.248 212 K HN 0.887 nan 8.250 nan 0.000 0.484 213 Y N -1.055 119.251 120.300 0.010 0.000 2.853 213 Y HA 0.657 5.207 4.550 0.000 0.000 0.326 213 Y C -1.540 174.381 175.900 0.036 0.000 1.384 213 Y CA -1.484 56.634 58.100 0.030 0.000 1.077 213 Y CB 0.977 39.462 38.460 0.041 0.000 1.395 213 Y HN -0.088 nan 8.280 nan 0.000 0.451 214 V N 2.080 122.015 119.914 0.034 0.000 2.370 214 V HA 0.649 4.769 4.120 0.000 0.000 0.283 214 V C -0.718 175.364 176.094 -0.020 0.000 1.023 214 V CA -0.431 61.836 62.300 -0.055 0.000 0.857 214 V CB 1.124 32.961 31.823 0.023 0.000 0.985 214 V HN 0.680 nan 8.190 nan 0.000 0.443 215 R N 4.231 124.667 120.500 -0.107 0.000 2.502 215 R HA 0.515 4.855 4.340 0.000 0.000 0.300 215 R C -0.238 176.066 176.300 0.006 0.000 0.984 215 R CA -0.382 55.720 56.100 0.003 0.000 0.882 215 R CB 0.476 30.785 30.300 0.015 0.000 1.180 215 R HN 0.652 nan 8.270 nan 0.000 0.444 216 N N 4.090 122.812 118.700 0.037 0.000 2.746 216 N HA -0.203 4.538 4.740 0.000 0.000 0.250 216 N C -1.002 174.512 175.510 0.008 0.000 1.055 216 N CA 1.197 54.262 53.050 0.025 0.000 0.699 216 N CB -1.043 37.457 38.487 0.021 0.000 0.919 216 N HN 0.871 nan 8.380 nan 0.000 0.548 217 N N -2.601 116.106 118.700 0.011 0.000 2.708 217 N HA -0.235 4.505 4.740 0.000 0.000 0.251 217 N C -0.586 174.921 175.510 -0.006 0.000 1.123 217 N CA 1.348 54.401 53.050 0.006 0.000 0.739 217 N CB -0.903 37.588 38.487 0.006 0.000 1.113 217 N HN 0.613 nan 8.380 nan 0.000 0.561 218 L N -0.111 121.100 121.223 -0.020 0.000 2.466 218 L HA 0.452 4.792 4.340 0.000 0.000 0.258 218 L C -0.459 176.367 176.870 -0.072 0.000 0.973 218 L CA -0.765 54.053 54.840 -0.036 0.000 0.826 218 L CB 1.958 43.995 42.059 -0.036 0.000 1.372 218 L HN 0.107 nan 8.230 nan 0.000 0.409 219 E N 2.059 122.217 120.200 -0.070 0.000 2.130 219 E HA 0.379 4.729 4.350 0.000 0.000 0.284 219 E C -1.114 175.405 176.600 -0.135 0.000 1.018 219 E CA -0.281 56.055 56.400 -0.107 0.000 0.817 219 E CB 1.039 30.708 29.700 -0.052 0.000 1.078 219 E HN 0.713 nan 8.360 nan 0.000 0.396 220 T N 2.609 117.006 114.554 -0.262 0.000 2.943 220 T HA 0.446 4.796 4.350 0.000 0.000 0.284 220 T C -0.771 173.823 174.700 -0.177 0.000 1.015 220 T CA -0.342 61.630 62.100 -0.214 0.000 1.042 220 T CB 1.385 70.098 68.868 -0.257 0.000 1.055 220 T HN 0.411 nan 8.240 nan 0.000 0.500 221 T N 2.760 117.269 114.554 -0.074 0.000 2.949 221 T HA 0.688 5.038 4.350 0.000 0.000 0.300 221 T C -0.797 173.819 174.700 -0.140 0.000 0.988 221 T CA -0.603 61.423 62.100 -0.123 0.000 0.993 221 T CB 1.221 70.013 68.868 -0.126 0.000 0.984 221 T HN 0.833 nan 8.240 nan 0.000 0.442 222 A N 3.137 125.856 122.820 -0.168 0.000 2.304 222 A HA 0.861 5.181 4.320 0.000 0.000 0.323 222 A C -1.010 176.400 177.584 -0.289 0.000 1.195 222 A CA -0.626 51.372 52.037 -0.065 0.000 0.826 222 A CB 0.375 19.439 19.000 0.107 0.000 1.184 222 A HN 0.736 nan 8.150 nan 0.000 0.496 223 F N 1.285 121.289 119.950 0.089 0.000 2.426 223 F HA 0.305 4.832 4.527 0.000 0.000 0.348 223 F C 0.593 176.426 175.800 0.056 0.000 1.124 223 F CA -0.392 57.645 58.000 0.063 0.000 1.008 223 F CB 1.290 40.295 39.000 0.008 0.000 1.139 223 F HN 0.763 nan 8.300 nan 0.000 0.452 224 H N 3.824 122.961 119.070 0.113 0.000 3.125 224 H HA 0.098 4.654 4.556 0.000 0.000 0.310 224 H C 0.789 176.058 175.328 -0.098 0.000 0.980 224 H CA 0.587 56.649 56.048 0.024 0.000 1.422 224 H CB 0.372 30.146 29.762 0.021 0.000 1.432 224 H HN 0.677 nan 8.280 nan 0.000 0.577 225 R N 2.696 122.750 120.500 -0.744 0.000 3.953 225 R HA -0.239 4.101 4.340 0.000 0.000 0.340 225 R C -0.345 175.591 176.300 -0.607 0.000 1.195 225 R CA 0.928 56.283 56.100 -1.240 0.000 0.929 225 R CB -1.526 28.153 30.300 -1.035 0.000 1.402 225 R HN 0.977 nan 8.270 nan 0.000 0.540 226 D N -0.858 119.422 120.400 -0.200 0.000 2.882 226 D HA -0.203 4.437 4.640 0.000 0.000 0.229 226 D C -0.032 176.174 176.300 -0.158 0.000 1.167 226 D CA 1.966 55.935 54.000 -0.051 0.000 0.759 226 D CB -0.608 40.202 40.800 0.017 0.000 1.088 226 D HN 0.526 nan 8.370 nan 0.000 0.425 227 D N -1.395 118.918 120.400 -0.145 0.000 2.392 227 D HA 0.316 4.956 4.640 0.000 0.000 0.246 227 D C -0.013 176.202 176.300 -0.143 0.000 1.013 227 D CA -0.534 53.353 54.000 -0.189 0.000 0.993 227 D CB 0.856 41.608 40.800 -0.080 0.000 1.219 227 D HN 0.008 nan 8.370 nan 0.000 0.538 228 H N 0.138 119.185 119.070 -0.038 0.000 2.998 228 H HA 0.096 4.652 4.556 0.000 0.000 0.353 228 H C 0.257 175.647 175.328 0.102 0.000 1.099 228 H CA 0.428 56.469 56.048 -0.010 0.000 1.393 228 H CB 0.352 30.103 29.762 -0.019 0.000 1.343 228 H HN 0.312 nan 8.280 nan 0.000 0.609 229 E N 1.021 121.391 120.200 0.284 0.000 2.415 229 E HA 0.122 4.472 4.350 0.000 0.000 0.262 229 E C -0.676 176.018 176.600 0.157 0.000 1.038 229 E CA 0.026 56.577 56.400 0.251 0.000 0.921 229 E CB 0.514 30.366 29.700 0.253 0.000 0.950 229 E HN 0.664 nan 8.360 nan 0.000 0.438 230 T N 3.003 117.627 114.554 0.117 0.000 2.843 230 T HA 0.256 4.606 4.350 0.000 0.000 0.302 230 T C -1.662 173.063 174.700 0.042 0.000 1.232 230 T CA -0.916 61.228 62.100 0.074 0.000 1.009 230 T CB 1.319 70.232 68.868 0.074 0.000 1.254 230 T HN 0.359 nan 8.240 nan 0.000 0.504 231 D N 1.793 122.206 120.400 0.022 0.000 2.349 231 D HA 0.525 5.165 4.640 0.000 0.000 0.232 231 D C -0.426 175.869 176.300 -0.008 0.000 1.071 231 D CA -0.194 53.807 54.000 0.001 0.000 0.832 231 D CB 0.861 41.657 40.800 -0.006 0.000 1.086 231 D HN 0.324 nan 8.370 nan 0.000 0.504 232 M N 1.370 120.957 119.600 -0.021 0.000 2.436 232 M HA 0.286 4.767 4.480 0.000 0.000 0.331 232 M C 0.393 176.670 176.300 -0.039 0.000 1.135 232 M CA -0.995 54.286 55.300 -0.031 0.000 0.987 232 M CB 1.927 34.496 32.600 -0.052 0.000 1.687 232 M HN 0.240 nan 8.290 nan 0.000 0.445 233 E N 2.574 122.751 120.200 -0.039 0.000 2.390 233 E HA 0.423 4.774 4.350 0.000 0.000 0.261 233 E C -1.365 175.201 176.600 -0.056 0.000 1.076 233 E CA -0.530 55.843 56.400 -0.045 0.000 0.905 233 E CB 0.770 30.447 29.700 -0.037 0.000 0.984 233 E HN 0.598 nan 8.360 nan 0.000 0.427 234 L N 2.699 123.887 121.223 -0.058 0.000 2.255 234 L HA 0.329 4.669 4.340 0.000 0.000 0.289 234 L C -0.001 176.860 176.870 -0.016 0.000 1.046 234 L CA -0.602 54.210 54.840 -0.048 0.000 0.816 234 L CB 0.643 42.672 42.059 -0.050 0.000 1.197 234 L HN 0.483 nan 8.230 nan 0.000 0.427 235 K N 4.066 124.429 120.400 -0.062 0.000 2.110 235 K HA 0.477 4.797 4.320 0.000 0.000 0.263 235 K C -2.455 174.190 176.600 0.075 0.000 0.975 235 K CA -1.920 54.354 56.287 -0.021 0.000 0.895 235 K CB 0.832 33.258 32.500 -0.125 0.000 1.060 235 K HN 0.177 nan 8.250 nan 0.000 0.448 236 P HA -0.061 nan 4.420 nan 0.000 0.266 236 P C -0.897 176.383 177.300 -0.033 0.000 1.195 236 P CA 0.049 63.179 63.100 0.050 0.000 0.768 236 P CB 0.608 32.329 31.700 0.035 0.000 0.838 237 A N 3.376 126.140 122.820 -0.092 0.000 2.366 237 A HA 0.151 4.472 4.320 0.000 0.000 0.249 237 A C 0.366 177.936 177.584 -0.024 0.000 1.084 237 A CA -0.373 51.706 52.037 0.070 0.000 0.794 237 A CB -0.256 18.726 19.000 -0.031 0.000 1.034 237 A HN 0.520 nan 8.150 nan 0.000 0.491 238 N N 0.911 119.618 118.700 0.011 0.000 2.359 238 N HA 0.206 4.946 4.740 0.000 0.000 0.261 238 N C 0.322 175.796 175.510 -0.060 0.000 1.267 238 N CA 0.878 53.917 53.050 -0.019 0.000 0.864 238 N CB 0.505 38.983 38.487 -0.015 0.000 1.063 238 N HN 0.774 nan 8.380 nan 0.000 0.474 239 A N 1.729 124.514 122.820 -0.058 0.000 2.546 239 A HA 0.460 4.780 4.320 0.000 0.000 0.243 239 A C 0.296 177.844 177.584 -0.060 0.000 1.063 239 A CA -0.028 51.968 52.037 -0.070 0.000 0.757 239 A CB 0.007 18.975 19.000 -0.054 0.000 0.991 239 A HN 0.727 nan 8.150 nan 0.000 0.503 240 A N 2.395 125.173 122.820 -0.070 0.000 2.498 240 A HA 0.757 5.077 4.320 0.000 0.000 0.298 240 A C 0.298 177.848 177.584 -0.057 0.000 1.075 240 A CA -0.055 51.947 52.037 -0.059 0.000 0.714 240 A CB 0.475 19.436 19.000 -0.064 0.000 1.299 240 A HN 1.675 nan 8.150 nan 0.000 0.407 241 T N 0.252 114.778 114.554 -0.046 0.000 2.891 241 T HA 0.296 4.646 4.350 0.000 0.000 0.296 241 T C 0.330 175.001 174.700 -0.049 0.000 1.025 241 T CA 0.293 62.367 62.100 -0.043 0.000 1.149 241 T CB -0.315 68.532 68.868 -0.035 0.000 1.007 241 T HN 0.862 nan 8.240 nan 0.000 0.528 242 R N 0.176 120.647 120.500 -0.049 0.000 2.939 242 R HA -0.139 4.201 4.340 0.000 0.000 0.255 242 R C -0.070 176.191 176.300 -0.065 0.000 0.882 242 R CA 0.822 56.890 56.100 -0.053 0.000 0.658 242 R CB -2.443 27.828 30.300 -0.047 0.000 1.447 242 R HN 1.071 nan 8.270 nan 0.000 0.506 243 T N -2.759 111.749 114.554 -0.077 0.000 2.916 243 T HA 0.493 4.843 4.350 0.000 0.000 0.298 243 T C 0.404 175.037 174.700 -0.112 0.000 1.031 243 T CA -0.456 61.587 62.100 -0.095 0.000 0.993 243 T CB 2.012 70.818 68.868 -0.104 0.000 1.045 243 T HN 0.292 nan 8.240 nan 0.000 0.454 244 S N 2.940 118.569 115.700 -0.118 0.000 2.580 244 S HA 0.320 4.790 4.470 0.000 0.000 0.266 244 S C 0.328 174.806 174.600 -0.204 0.000 1.354 244 S CA -0.965 57.157 58.200 -0.129 0.000 1.008 244 S CB 0.074 63.207 63.200 -0.111 0.000 0.898 244 S HN 0.811 nan 8.310 nan 0.000 0.555 245 R N 0.569 120.920 120.500 -0.247 0.000 2.537 245 R HA 0.453 4.793 4.340 0.000 0.000 0.280 245 R C 0.485 176.339 176.300 -0.743 0.000 1.058 245 R CA 0.341 56.115 56.100 -0.543 0.000 1.057 245 R CB 0.311 30.296 30.300 -0.525 0.000 0.973 245 R HN 0.825 nan 8.270 nan 0.000 0.438 246 G N 2.379 110.597 108.800 -0.969 0.000 2.638 246 G HA2 0.566 4.526 3.960 0.000 0.000 0.302 246 G HA3 0.566 4.526 3.960 0.000 0.000 0.302 246 G C -1.520 172.925 174.900 -0.758 0.000 1.365 246 G CA -0.555 44.160 45.100 -0.642 0.000 0.987 246 G HN 0.447 nan 8.290 nan 0.000 0.495 247 W N 0.393 121.696 121.300 0.005 0.000 3.033 247 W HA 0.535 5.195 4.660 0.000 0.000 0.336 247 W C -0.216 176.332 176.519 0.048 0.000 1.173 247 W CA -0.594 56.757 57.345 0.010 0.000 1.185 247 W CB 2.423 31.861 29.460 -0.037 0.000 1.425 247 W HN 0.984 nan 8.180 nan 0.000 0.536 248 H N -3.018 116.134 119.070 0.138 0.000 2.948 248 H HA 0.493 5.050 4.556 0.000 0.000 0.315 248 H C -0.196 175.144 175.328 0.020 0.000 1.360 248 H CA -0.535 55.528 56.048 0.025 0.000 1.125 248 H CB 1.563 31.311 29.762 -0.024 0.000 1.844 248 H HN 0.069 nan 8.280 nan 0.000 0.529 249 T N -0.547 114.024 114.554 0.028 0.000 2.815 249 T HA 0.067 4.417 4.350 0.000 0.000 0.244 249 T C 0.578 175.255 174.700 -0.038 0.000 1.040 249 T CA 1.536 63.604 62.100 -0.054 0.000 1.176 249 T CB -0.149 68.675 68.868 -0.073 0.000 0.880 249 T HN 0.654 nan 8.240 nan 0.000 0.414 250 T N 1.021 115.626 114.554 0.084 0.000 2.930 250 T HA 0.397 4.747 4.350 0.000 0.000 0.290 250 T C -0.751 174.117 174.700 0.280 0.000 1.052 250 T CA -0.682 61.495 62.100 0.127 0.000 1.017 250 T CB 1.573 70.474 68.868 0.054 0.000 1.137 250 T HN 0.315 nan 8.240 nan 0.000 0.511 251 D N 1.765 122.301 120.400 0.227 0.000 2.500 251 D HA 0.150 4.790 4.640 0.000 0.000 0.217 251 D C 0.208 176.579 176.300 0.118 0.000 1.159 251 D CA -0.060 54.041 54.000 0.170 0.000 0.828 251 D CB 0.066 40.990 40.800 0.206 0.000 1.039 251 D HN 0.338 nan 8.370 nan 0.000 0.512 252 L N 1.364 122.677 121.223 0.150 0.000 2.296 252 L HA 0.326 4.666 4.340 0.000 0.000 0.286 252 L C 0.561 177.547 176.870 0.193 0.000 1.023 252 L CA -0.890 54.041 54.840 0.150 0.000 0.812 252 L CB 1.777 43.928 42.059 0.152 0.000 1.223 252 L HN -0.287 nan 8.230 nan 0.000 0.421 253 K N 1.857 122.353 120.400 0.160 0.000 2.143 253 K HA 0.147 4.467 4.320 0.000 0.000 0.239 253 K C -0.841 175.900 176.600 0.235 0.000 1.048 253 K CA -0.068 56.328 56.287 0.182 0.000 0.867 253 K CB 0.595 33.168 32.500 0.122 0.000 1.088 253 K HN 0.411 nan 8.250 nan 0.000 0.510 254 Y N 0.833 121.182 120.300 0.082 0.000 2.332 254 Y HA 0.283 4.833 4.550 0.000 0.000 0.325 254 Y C -0.875 175.080 175.900 0.092 0.000 1.054 254 Y CA -0.625 57.505 58.100 0.050 0.000 1.119 254 Y CB 1.083 39.503 38.460 -0.067 0.000 1.168 254 Y HN 0.510 nan 8.280 nan 0.000 0.439 255 N N 6.169 124.553 118.700 -0.528 0.000 2.525 255 N HA 0.485 5.225 4.740 0.000 0.000 0.288 255 N C -2.997 172.105 175.510 -0.680 0.000 1.242 255 N CA -1.812 51.001 53.050 -0.394 0.000 0.905 255 N CB 1.469 39.904 38.487 -0.087 0.000 1.258 255 N HN 0.371 nan 8.380 nan 0.000 0.551 256 P HA 0.054 nan 4.420 nan 0.000 0.271 256 P C -0.121 177.189 177.300 0.016 0.000 1.218 256 P CA -0.165 62.896 63.100 -0.065 0.000 0.780 256 P CB 0.410 32.195 31.700 0.141 0.000 0.901 257 S N 2.503 118.212 115.700 0.014 0.000 2.572 257 S HA 0.156 4.626 4.470 0.000 0.000 0.279 257 S C 0.306 174.851 174.600 -0.092 0.000 1.341 257 S CA -0.780 57.418 58.200 -0.004 0.000 1.043 257 S CB 0.405 63.609 63.200 0.007 0.000 0.887 257 S HN 0.435 nan 8.310 nan 0.000 0.516 258 R N 1.115 121.487 120.500 -0.212 0.000 2.484 258 R HA 0.272 4.612 4.340 0.000 0.000 0.293 258 R C -1.311 174.617 176.300 -0.620 0.000 1.023 258 R CA 0.039 55.735 56.100 -0.673 0.000 1.037 258 R CB -0.096 29.963 30.300 -0.401 0.000 0.951 258 R HN 0.587 nan 8.270 nan 0.000 0.418 259 V N 3.705 123.054 119.914 -0.941 0.000 2.558 259 V HA 0.180 4.300 4.120 0.000 0.000 0.261 259 V C 0.143 176.078 176.094 -0.266 0.000 0.958 259 V CA -0.264 61.802 62.300 -0.390 0.000 0.852 259 V CB 0.703 32.424 31.823 -0.170 0.000 1.067 259 V HN 1.008 nan 8.190 nan 0.000 0.468 260 E N 2.462 122.528 120.200 -0.222 0.000 2.565 260 E HA 0.338 4.688 4.350 0.000 0.000 0.268 260 E C 1.238 177.927 176.600 0.148 0.000 1.000 260 E CA 0.699 57.092 56.400 -0.011 0.000 0.964 260 E CB 0.193 29.877 29.700 -0.027 0.000 0.955 260 E HN 2.388 nan 8.360 nan 0.000 0.459 261 A N 0.202 123.150 122.820 0.213 0.000 2.846 261 A HA 0.104 4.424 4.320 0.000 0.000 0.287 261 A C -0.031 177.501 177.584 -0.087 0.000 1.469 261 A CA 1.251 53.352 52.037 0.107 0.000 0.757 261 A CB -2.126 16.828 19.000 -0.077 0.000 1.033 261 A HN 1.480 nan 8.150 nan 0.000 0.516 262 F N -1.778 118.302 119.950 0.218 0.000 2.668 262 F HA 0.483 5.010 4.527 0.000 0.000 0.309 262 F C 0.283 176.208 175.800 0.208 0.000 1.117 262 F CA -0.602 57.445 58.000 0.078 0.000 0.951 262 F CB 1.351 40.413 39.000 0.103 0.000 1.323 262 F HN 0.268 nan 8.300 nan 0.000 0.451 263 H N 1.288 120.497 119.070 0.232 0.000 2.597 263 H HA 0.752 5.308 4.556 0.000 0.000 0.303 263 H C 0.119 175.531 175.328 0.141 0.000 1.057 263 H CA -0.754 55.317 56.048 0.038 0.000 1.261 263 H CB 0.890 30.577 29.762 -0.126 0.000 1.397 263 H HN 0.732 nan 8.280 nan 0.000 0.461 264 R N 2.787 123.421 120.500 0.223 0.000 2.873 264 R HA 0.534 4.874 4.340 0.000 0.000 0.264 264 R C -1.608 174.726 176.300 0.056 0.000 1.026 264 R CA -0.692 55.560 56.100 0.254 0.000 1.002 264 R CB 0.813 31.302 30.300 0.316 0.000 1.174 264 R HN 0.632 nan 8.270 nan 0.000 0.488 265 Y N -0.586 119.784 120.300 0.116 0.000 2.429 265 Y HA 0.704 5.254 4.550 0.000 0.000 0.342 265 Y C 0.945 176.937 175.900 0.152 0.000 1.004 265 Y CA -0.990 57.182 58.100 0.119 0.000 1.075 265 Y CB 3.036 41.564 38.460 0.113 0.000 1.214 265 Y HN 0.940 nan 8.280 nan 0.000 0.455 266 G N 0.996 109.971 108.800 0.292 0.000 2.701 266 G HA2 0.539 4.499 3.960 0.000 0.000 0.300 266 G HA3 0.539 4.499 3.960 0.000 0.000 0.300 266 G C -1.358 173.775 174.900 0.389 0.000 1.410 266 G CA -0.663 44.645 45.100 0.346 0.000 1.014 266 G HN 0.417 nan 8.290 nan 0.000 0.509 267 T N 1.085 115.916 114.554 0.462 0.000 2.895 267 T HA 0.740 5.090 4.350 0.000 0.000 0.283 267 T C -0.325 174.530 174.700 0.259 0.000 1.014 267 T CA -0.234 62.047 62.100 0.302 0.000 1.037 267 T CB 1.644 70.648 68.868 0.226 0.000 1.006 267 T HN 0.469 nan 8.240 nan 0.000 0.468 268 T N 2.036 116.727 114.554 0.227 0.000 2.937 268 T HA 0.516 4.866 4.350 0.000 0.000 0.297 268 T C -0.785 174.094 174.700 0.298 0.000 0.991 268 T CA -0.530 61.727 62.100 0.261 0.000 0.990 268 T CB 1.195 70.210 68.868 0.244 0.000 0.991 268 T HN 0.329 nan 8.240 nan 0.000 0.440 269 V N 3.740 123.956 119.914 0.503 0.000 2.448 269 V HA 0.630 4.751 4.120 0.000 0.000 0.295 269 V C -0.385 175.736 176.094 0.045 0.000 1.025 269 V CA -0.843 61.585 62.300 0.214 0.000 0.859 269 V CB 1.759 33.672 31.823 0.151 0.000 0.988 269 V HN 0.826 nan 8.190 nan 0.000 0.431 270 N N 2.986 121.702 118.700 0.027 0.000 2.576 270 N HA 0.216 4.957 4.740 0.000 0.000 0.269 270 N C -0.775 174.720 175.510 -0.026 0.000 1.058 270 N CA -0.323 52.724 53.050 -0.004 0.000 0.860 270 N CB 1.280 39.791 38.487 0.040 0.000 1.249 270 N HN 0.735 nan 8.380 nan 0.000 0.525 271 c N 6.129 124.703 118.600 -0.044 0.000 2.663 271 c HA 0.431 5.001 4.570 0.000 0.000 0.398 271 c C 0.231 174.274 174.090 -0.078 0.000 1.356 271 c CA -0.432 55.863 56.329 -0.058 0.000 1.629 271 c CB -1.974 40.515 42.510 -0.034 0.000 2.402 271 c HN 0.563 nan 8.230 nan 0.000 0.598 272 I N 6.524 126.941 120.570 -0.255 0.000 2.441 272 I HA 0.531 4.701 4.170 0.000 0.000 0.295 272 I C -0.486 175.388 176.117 -0.405 0.000 0.994 272 I CA -0.507 60.578 61.300 -0.358 0.000 1.144 272 I CB 1.871 39.471 38.000 -0.665 0.000 1.314 272 I HN 0.286 nan 8.210 nan 0.000 0.445 273 V N 5.629 125.466 119.914 -0.128 0.000 2.577 273 V HA 0.447 4.567 4.120 0.000 0.000 0.303 273 V C -0.743 175.400 176.094 0.081 0.000 1.042 273 V CA -0.528 61.722 62.300 -0.084 0.000 0.872 273 V CB 1.999 33.838 31.823 0.026 0.000 0.998 273 V HN 0.896 nan 8.190 nan 0.000 0.423 274 E N 2.439 122.633 120.200 -0.010 0.000 2.352 274 E HA 0.587 4.937 4.350 0.000 0.000 0.280 274 E C -1.334 175.268 176.600 0.004 0.000 0.930 274 E CA -1.017 55.400 56.400 0.029 0.000 0.765 274 E CB 2.238 31.910 29.700 -0.046 0.000 1.219 274 E HN 0.603 nan 8.360 nan 0.000 0.434 275 E N 1.427 121.654 120.200 0.046 0.000 2.344 275 E HA 0.307 4.657 4.350 0.000 0.000 0.270 275 E C 0.085 176.655 176.600 -0.050 0.000 1.021 275 E CA -0.436 55.980 56.400 0.026 0.000 0.887 275 E CB 1.371 31.120 29.700 0.082 0.000 0.997 275 E HN 0.450 nan 8.360 nan 0.000 0.429 276 V N -0.781 119.089 119.914 -0.074 0.000 3.155 276 V HA 0.522 4.642 4.120 0.000 0.000 0.313 276 V C -0.794 175.200 176.094 -0.166 0.000 1.162 276 V CA -1.155 61.070 62.300 -0.126 0.000 1.048 276 V CB 2.243 33.972 31.823 -0.156 0.000 1.092 276 V HN 0.380 nan 8.190 nan 0.000 0.447 277 D N 1.771 122.049 120.400 -0.204 0.000 2.349 277 D HA 0.738 5.378 4.640 0.000 0.000 0.232 277 D C 0.061 176.144 176.300 -0.361 0.000 1.071 277 D CA 0.275 54.111 54.000 -0.273 0.000 0.832 277 D CB 1.566 42.238 40.800 -0.213 0.000 1.086 277 D HN 1.090 nan 8.370 nan 0.000 0.504 278 A N 3.406 125.862 122.820 -0.606 0.000 2.293 278 A HA 0.803 5.123 4.320 0.000 0.000 0.302 278 A C 0.014 177.231 177.584 -0.612 0.000 1.119 278 A CA -0.544 51.083 52.037 -0.683 0.000 0.823 278 A CB 0.772 19.039 19.000 -1.222 0.000 1.097 278 A HN 0.529 nan 8.150 nan 0.000 0.491 279 R N 0.243 120.585 120.500 -0.263 0.000 2.548 279 R HA 0.560 4.900 4.340 0.000 0.000 0.280 279 R C -1.049 175.331 176.300 0.133 0.000 1.061 279 R CA -0.253 55.800 56.100 -0.079 0.000 0.915 279 R CB 2.219 32.459 30.300 -0.100 0.000 1.210 279 R HN 0.726 nan 8.270 nan 0.000 0.442 280 S N 1.650 117.550 115.700 0.333 0.000 2.568 280 S HA 0.775 5.245 4.470 0.000 0.000 0.293 280 S C -0.773 174.050 174.600 0.372 0.000 1.089 280 S CA -0.625 57.822 58.200 0.412 0.000 0.945 280 S CB 1.590 65.151 63.200 0.602 0.000 1.077 280 S HN 0.381 nan 8.310 nan 0.000 0.485 281 V N 1.839 121.807 119.914 0.090 0.000 3.001 281 V HA 0.624 4.744 4.120 0.000 0.000 0.314 281 V C -0.513 175.093 176.094 -0.814 0.000 1.099 281 V CA -1.232 60.945 62.300 -0.204 0.000 0.989 281 V CB 0.932 32.727 31.823 -0.047 0.000 1.040 281 V HN 0.962 nan 8.190 nan 0.000 0.434 282 Y N 3.660 123.230 120.300 -1.215 0.000 2.904 282 Y HA 0.203 4.753 4.550 0.000 0.000 0.336 282 Y C -1.536 174.130 175.900 -0.390 0.000 1.263 282 Y CA -0.397 57.138 58.100 -0.942 0.000 1.547 282 Y CB 0.965 39.205 38.460 -0.366 0.000 1.272 282 Y HN 0.619 nan 8.280 nan 0.000 0.596 283 P HA 0.043 nan 4.420 nan 0.000 0.253 283 P C -1.314 175.795 177.300 -0.318 0.000 1.260 283 P CA 0.484 62.947 63.100 -1.062 0.000 0.800 283 P CB -0.212 31.057 31.700 -0.717 0.000 1.162 284 Y N -0.208 120.058 120.300 -0.056 0.000 3.380 284 Y HA -0.185 4.366 4.550 0.000 0.000 0.211 284 Y C 0.461 176.434 175.900 0.121 0.000 1.394 284 Y CA 0.379 58.538 58.100 0.099 0.000 1.479 284 Y CB -2.938 35.642 38.460 0.199 0.000 1.483 284 Y HN 0.213 nan 8.280 nan 0.000 0.566 285 D N 0.256 120.736 120.400 0.134 0.000 2.462 285 D HA 0.193 4.833 4.640 0.000 0.000 0.221 285 D C 0.230 176.612 176.300 0.137 0.000 1.173 285 D CA 0.701 54.773 54.000 0.121 0.000 0.831 285 D CB 0.225 40.980 40.800 -0.075 0.000 1.001 285 D HN 0.728 nan 8.370 nan 0.000 0.499 286 E N -0.641 119.692 120.200 0.221 0.000 2.393 286 E HA 0.411 4.761 4.350 0.000 0.000 0.282 286 E C -1.405 175.356 176.600 0.269 0.000 1.096 286 E CA -1.118 55.415 56.400 0.221 0.000 0.866 286 E CB 0.595 30.407 29.700 0.187 0.000 1.232 286 E HN 0.032 nan 8.360 nan 0.000 0.431 287 F N -0.198 119.747 119.950 -0.009 0.000 2.692 287 F HA 0.844 5.371 4.527 0.000 0.000 0.320 287 F C -1.321 174.281 175.800 -0.330 0.000 1.123 287 F CA -1.031 56.907 58.000 -0.102 0.000 0.961 287 F CB 1.319 40.331 39.000 0.021 0.000 1.383 287 F HN 0.477 nan 8.300 nan 0.000 0.483 288 V N 0.157 119.885 119.914 -0.309 0.000 2.914 288 V HA 0.745 4.866 4.120 0.000 0.000 0.314 288 V C -1.007 174.906 176.094 -0.303 0.000 1.084 288 V CA -1.054 60.901 62.300 -0.574 0.000 0.963 288 V CB 1.575 32.879 31.823 -0.865 0.000 1.025 288 V HN 1.001 nan 8.190 nan 0.000 0.432 289 L N 2.475 123.500 121.223 -0.331 0.000 2.416 289 L HA 0.677 5.017 4.340 0.000 0.000 0.263 289 L C 1.892 178.602 176.870 -0.266 0.000 1.065 289 L CA -0.234 54.441 54.840 -0.274 0.000 0.798 289 L CB 1.279 43.149 42.059 -0.314 0.000 1.267 289 L HN 0.865 nan 8.230 nan 0.000 0.467 290 A N -0.378 122.301 122.820 -0.235 0.000 2.121 290 A HA -0.119 4.201 4.320 0.000 0.000 0.218 290 A C 1.945 179.417 177.584 -0.187 0.000 1.154 290 A CA 1.738 53.657 52.037 -0.197 0.000 0.679 290 A CB -0.916 17.981 19.000 -0.171 0.000 0.795 290 A HN 0.910 nan 8.150 nan 0.000 0.458 291 T N -5.044 109.378 114.554 -0.220 0.000 3.067 291 T HA 0.381 4.731 4.350 0.000 0.000 0.261 291 T C 1.502 176.092 174.700 -0.184 0.000 1.110 291 T CA 1.222 63.197 62.100 -0.209 0.000 1.113 291 T CB 0.173 68.874 68.868 -0.278 0.000 0.917 291 T HN 1.532 nan 8.240 nan 0.000 0.499 292 G N 1.162 109.843 108.800 -0.199 0.000 2.218 292 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 292 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 292 G C -0.307 174.527 174.900 -0.110 0.000 0.994 292 G CA -0.134 44.876 45.100 -0.150 0.000 0.637 292 G HN 0.574 nan 8.290 nan 0.000 0.505 293 D N 0.919 121.222 120.400 -0.161 0.000 2.401 293 D HA 0.338 4.978 4.640 0.000 0.000 0.254 293 D C 0.226 176.464 176.300 -0.103 0.000 1.192 293 D CA 0.305 54.270 54.000 -0.058 0.000 0.885 293 D CB 0.567 41.257 40.800 -0.182 0.000 1.147 293 D HN 0.094 nan 8.370 nan 0.000 0.478 294 F N 1.281 121.133 119.950 -0.164 0.000 2.406 294 F HA 0.161 4.688 4.527 0.000 0.000 0.327 294 F C 0.691 176.193 175.800 -0.497 0.000 1.153 294 F CA -0.192 57.569 58.000 -0.399 0.000 1.218 294 F CB 1.026 39.702 39.000 -0.539 0.000 1.215 294 F HN 0.004 nan 8.300 nan 0.000 0.570 295 V N 3.527 123.081 119.914 -0.601 0.000 2.524 295 V HA 0.143 4.263 4.120 0.000 0.000 0.297 295 V C -1.048 174.790 176.094 -0.427 0.000 1.035 295 V CA -0.932 61.032 62.300 -0.560 0.000 0.867 295 V CB 1.229 32.441 31.823 -1.017 0.000 1.004 295 V HN 0.575 nan 8.190 nan 0.000 0.426 296 Y N 5.167 125.620 120.300 0.255 0.000 2.960 296 Y HA 0.548 5.098 4.550 0.000 0.000 0.393 296 Y C 0.369 176.464 175.900 0.325 0.000 1.118 296 Y CA -0.042 58.161 58.100 0.172 0.000 1.850 296 Y CB 0.269 38.694 38.460 -0.059 0.000 1.827 296 Y HN 0.596 nan 8.280 nan 0.000 0.463 297 M N -0.048 119.802 119.600 0.417 0.000 2.531 297 M HA 0.455 4.935 4.480 0.000 0.000 0.286 297 M C -0.792 175.776 176.300 0.447 0.000 1.232 297 M CA -0.744 54.811 55.300 0.425 0.000 0.877 297 M CB 1.977 34.799 32.600 0.371 0.000 1.726 297 M HN 0.018 nan 8.290 nan 0.000 0.463 298 S N 2.806 118.755 115.700 0.415 0.000 2.549 298 S HA 0.318 4.788 4.470 0.000 0.000 0.279 298 S C -2.010 172.787 174.600 0.328 0.000 1.321 298 S CA -1.121 57.311 58.200 0.386 0.000 1.054 298 S CB 0.691 64.139 63.200 0.413 0.000 0.899 298 S HN 0.598 nan 8.310 nan 0.000 0.497 299 P HA 0.009 nan 4.420 nan 0.000 0.225 299 P C 0.231 177.423 177.300 -0.180 0.000 1.148 299 P CA 1.093 63.929 63.100 -0.440 0.000 0.779 299 P CB -0.019 30.851 31.700 -1.384 0.000 0.780 300 F N -3.879 116.163 119.950 0.153 0.000 2.765 300 F HA 0.159 4.686 4.527 0.000 0.000 0.302 300 F C 1.240 177.316 175.800 0.459 0.000 1.111 300 F CA -0.721 57.354 58.000 0.125 0.000 1.359 300 F CB -0.704 38.251 39.000 -0.074 0.000 1.097 300 F HN -0.155 nan 8.300 nan 0.000 0.577 301 Y N 1.409 121.945 120.300 0.394 0.000 2.511 301 Y HA 0.422 4.972 4.550 0.000 0.000 0.347 301 Y C 0.710 176.647 175.900 0.060 0.000 1.257 301 Y CA 0.732 58.932 58.100 0.165 0.000 1.469 301 Y CB 0.286 38.718 38.460 -0.047 0.000 1.353 301 Y HN 0.141 nan 8.280 nan 0.000 0.617 302 G N 2.370 110.657 108.800 -0.856 0.000 2.360 302 G HA2 -0.018 3.943 3.960 0.000 0.000 0.276 302 G HA3 -0.018 3.943 3.960 0.000 0.000 0.276 302 G C -1.010 173.487 174.900 -0.672 0.000 1.256 302 G CA -0.234 44.411 45.100 -0.757 0.000 0.890 302 G HN 0.593 nan 8.290 nan 0.000 0.486 303 Y N 0.323 120.377 120.300 -0.410 0.000 2.594 303 Y HA 0.283 4.833 4.550 0.000 0.000 0.283 303 Y C 1.781 177.532 175.900 -0.248 0.000 1.140 303 Y CA -0.602 57.339 58.100 -0.266 0.000 1.261 303 Y CB 0.291 38.637 38.460 -0.190 0.000 1.358 303 Y HN 0.204 nan 8.280 nan 0.000 0.513 304 R N 2.356 122.706 120.500 -0.250 0.000 2.678 304 R HA -0.091 4.249 4.340 0.000 0.000 0.264 304 R C -0.144 176.074 176.300 -0.136 0.000 0.995 304 R CA 0.602 56.556 56.100 -0.245 0.000 1.098 304 R CB -0.289 29.742 30.300 -0.448 0.000 0.949 304 R HN 0.303 nan 8.270 nan 0.000 0.422 305 E N 0.857 121.043 120.200 -0.022 0.000 2.183 305 E HA -0.279 4.071 4.350 0.000 0.000 0.196 305 E C 0.747 177.375 176.600 0.046 0.000 1.364 305 E CA 0.466 56.889 56.400 0.039 0.000 0.700 305 E CB -1.624 28.129 29.700 0.088 0.000 1.106 305 E HN 1.030 nan 8.360 nan 0.000 0.347 306 G N 0.270 109.101 108.800 0.051 0.000 2.186 306 G HA2 -0.453 3.507 3.960 0.000 0.000 0.266 306 G HA3 -0.453 3.507 3.960 0.000 0.000 0.266 306 G C 0.885 175.661 174.900 -0.206 0.000 0.982 306 G CA 0.928 45.963 45.100 -0.107 0.000 0.670 306 G HN 1.003 nan 8.290 nan 0.000 0.533 307 S N 0.455 116.117 115.700 -0.065 0.000 2.603 307 S HA -0.006 4.464 4.470 0.000 0.000 0.229 307 S C 1.713 176.154 174.600 -0.266 0.000 0.972 307 S CA 1.049 59.226 58.200 -0.038 0.000 0.935 307 S CB -0.585 62.685 63.200 0.117 0.000 0.769 307 S HN 0.962 nan 8.310 nan 0.000 0.536 308 H N 0.478 119.404 119.070 -0.240 0.000 2.548 308 H HA 0.131 4.687 4.556 0.000 0.000 0.265 308 H C 1.310 176.591 175.328 -0.077 0.000 0.969 308 H CA 1.046 56.889 56.048 -0.341 0.000 1.155 308 H CB -0.675 29.008 29.762 -0.132 0.000 1.394 308 H HN 0.595 nan 8.280 nan 0.000 0.570 309 T N -1.888 112.441 114.554 -0.376 0.000 3.086 309 T HA 0.073 4.423 4.350 0.000 0.000 0.250 309 T C 0.544 175.270 174.700 0.043 0.000 1.074 309 T CA -0.438 61.576 62.100 -0.143 0.000 0.988 309 T CB 0.430 69.161 68.868 -0.227 0.000 0.988 309 T HN 0.102 nan 8.240 nan 0.000 0.530 310 E N 1.899 122.171 120.200 0.120 0.000 2.410 310 E HA 0.137 4.487 4.350 0.000 0.000 0.255 310 E C -0.352 176.481 176.600 0.388 0.000 1.194 310 E CA -0.115 56.454 56.400 0.282 0.000 0.955 310 E CB 0.348 30.269 29.700 0.369 0.000 0.988 310 E HN 0.594 nan 8.360 nan 0.000 0.461 311 H N -0.711 118.507 119.070 0.246 0.000 2.582 311 H HA 0.247 4.803 4.556 0.000 0.000 0.345 311 H C -0.723 174.630 175.328 0.042 0.000 1.104 311 H CA 0.275 56.409 56.048 0.144 0.000 1.390 311 H CB 0.835 30.662 29.762 0.108 0.000 1.461 311 H HN 0.230 nan 8.280 nan 0.000 0.551 312 T N 2.931 117.149 114.554 -0.560 0.000 3.172 312 T HA 0.207 4.557 4.350 0.000 0.000 0.320 312 T C -0.164 174.268 174.700 -0.445 0.000 1.085 312 T CA -0.683 61.203 62.100 -0.356 0.000 1.052 312 T CB 0.962 69.475 68.868 -0.591 0.000 1.107 312 T HN 0.607 nan 8.240 nan 0.000 0.458 313 S N 3.332 118.898 115.700 -0.223 0.000 2.597 313 S HA 0.310 4.780 4.470 0.000 0.000 0.224 313 S C -0.413 173.934 174.600 -0.421 0.000 0.955 313 S CA -0.216 57.800 58.200 -0.306 0.000 0.933 313 S CB -0.199 62.852 63.200 -0.247 0.000 0.788 313 S HN 0.670 nan 8.310 nan 0.000 0.488 314 Y N 0.870 121.136 120.300 -0.057 0.000 2.602 314 Y HA 0.708 5.259 4.550 0.000 0.000 0.330 314 Y C 0.766 176.647 175.900 -0.032 0.000 1.114 314 Y CA -1.267 56.818 58.100 -0.024 0.000 1.182 314 Y CB 0.445 38.907 38.460 0.003 0.000 1.305 314 Y HN 0.065 nan 8.280 nan 0.000 0.502 315 A N 0.561 123.489 122.820 0.181 0.000 2.261 315 A HA 0.487 4.807 4.320 0.000 0.000 0.275 315 A C 1.194 178.854 177.584 0.127 0.000 1.246 315 A CA 0.376 52.480 52.037 0.111 0.000 0.810 315 A CB -0.658 18.399 19.000 0.095 0.000 1.168 315 A HN 0.971 nan 8.150 nan 0.000 0.506 316 A N -1.154 121.733 122.820 0.112 0.000 2.115 316 A HA 0.125 4.445 4.320 0.000 0.000 0.211 316 A C 1.219 178.887 177.584 0.140 0.000 1.169 316 A CA 1.212 53.339 52.037 0.149 0.000 0.787 316 A CB -0.314 18.757 19.000 0.118 0.000 0.858 316 A HN 0.790 nan 8.150 nan 0.000 0.474 317 D N -0.496 119.959 120.400 0.092 0.000 2.349 317 D HA -0.023 4.617 4.640 0.000 0.000 0.224 317 D C 1.457 177.784 176.300 0.045 0.000 1.029 317 D CA 0.222 54.255 54.000 0.056 0.000 0.879 317 D CB -0.264 40.564 40.800 0.046 0.000 0.906 317 D HN 0.444 nan 8.370 nan 0.000 0.528 318 R N -1.112 119.434 120.500 0.077 0.000 2.206 318 R HA 0.187 4.527 4.340 0.000 0.000 0.198 318 R C 0.080 176.414 176.300 0.057 0.000 0.986 318 R CA -0.149 55.980 56.100 0.048 0.000 1.029 318 R CB 0.277 30.597 30.300 0.035 0.000 0.966 318 R HN 0.115 nan 8.270 nan 0.000 0.487 319 F N 1.423 121.347 119.950 -0.043 0.000 2.399 319 F HA 0.368 4.895 4.527 0.000 0.000 0.334 319 F C -0.600 175.119 175.800 -0.135 0.000 1.097 319 F CA -0.535 57.428 58.000 -0.061 0.000 1.076 319 F CB 1.133 40.151 39.000 0.029 0.000 1.162 319 F HN -0.405 nan 8.300 nan 0.000 0.495 320 K N 4.540 124.312 120.400 -1.046 0.000 2.790 320 K HA 0.121 4.442 4.320 0.000 0.000 0.253 320 K C -1.211 174.750 176.600 -1.064 0.000 1.082 320 K CA -0.382 55.349 56.287 -0.926 0.000 1.067 320 K CB 1.156 32.937 32.500 -1.198 0.000 1.284 320 K HN 0.684 nan 8.250 nan 0.000 0.529 321 Q N 2.721 121.916 119.800 -1.009 0.000 2.293 321 Q HA 0.296 4.636 4.340 0.000 0.000 0.263 321 Q C -0.770 174.993 176.000 -0.395 0.000 1.002 321 Q CA -0.414 54.931 55.803 -0.764 0.000 0.910 321 Q CB 0.795 29.108 28.738 -0.708 0.000 1.185 321 Q HN 0.277 nan 8.270 nan 0.000 0.401 322 V N 5.245 124.960 119.914 -0.331 0.000 2.394 322 V HA 0.229 4.349 4.120 0.000 0.000 0.282 322 V C -0.235 175.807 176.094 -0.088 0.000 1.031 322 V CA -0.614 61.600 62.300 -0.143 0.000 0.881 322 V CB 1.591 33.360 31.823 -0.090 0.000 0.982 322 V HN 0.820 nan 8.190 nan 0.000 0.451 323 D N 3.776 124.162 120.400 -0.024 0.000 2.177 323 D HA 0.438 5.079 4.640 0.000 0.000 0.247 323 D C 0.779 177.098 176.300 0.032 0.000 1.063 323 D CA 0.352 54.347 54.000 -0.010 0.000 0.867 323 D CB 1.871 42.662 40.800 -0.015 0.000 1.168 323 D HN 0.941 nan 8.370 nan 0.000 0.445 324 G N 2.164 110.968 108.800 0.005 0.000 2.415 324 G HA2 -0.263 3.697 3.960 0.000 0.000 0.283 324 G HA3 -0.263 3.697 3.960 0.000 0.000 0.283 324 G C -0.589 174.280 174.900 -0.051 0.000 1.014 324 G CA -0.302 44.770 45.100 -0.047 0.000 1.323 324 G HN 0.403 nan 8.290 nan 0.000 0.502 325 F N 3.216 122.983 119.950 -0.306 0.000 2.427 325 F HA 0.717 5.245 4.527 0.000 0.000 0.348 325 F C -0.449 175.145 175.800 -0.343 0.000 1.125 325 F CA -1.886 55.986 58.000 -0.214 0.000 0.989 325 F CB 1.046 39.980 39.000 -0.109 0.000 1.165 325 F HN 0.232 nan 8.300 nan 0.000 0.442 326 Y N 5.154 125.069 120.300 -0.642 0.000 2.334 326 Y HA 0.647 5.197 4.550 0.000 0.000 0.336 326 Y C 0.309 175.703 175.900 -0.843 0.000 0.960 326 Y CA -1.011 56.756 58.100 -0.556 0.000 1.164 326 Y CB 1.273 39.567 38.460 -0.276 0.000 1.155 326 Y HN 0.773 nan 8.280 nan 0.000 0.478 327 A N 4.311 126.794 122.820 -0.563 0.000 2.363 327 A HA 0.542 4.862 4.320 0.000 0.000 0.270 327 A C -0.034 177.457 177.584 -0.156 0.000 1.121 327 A CA -0.764 51.048 52.037 -0.376 0.000 0.800 327 A CB 0.419 19.380 19.000 -0.064 0.000 1.052 327 A HN 0.847 nan 8.150 nan 0.000 0.493 328 R N 2.741 123.167 120.500 -0.124 0.000 2.247 328 R HA 0.097 4.438 4.340 0.000 0.000 0.329 328 R C -0.695 175.543 176.300 -0.103 0.000 1.014 328 R CA -0.495 55.547 56.100 -0.097 0.000 0.907 328 R CB 0.259 30.500 30.300 -0.099 0.000 1.146 328 R HN 0.942 nan 8.270 nan 0.000 0.499 329 D N 3.905 124.253 120.400 -0.086 0.000 2.629 329 D HA -0.132 4.508 4.640 0.000 0.000 0.228 329 D C 0.878 177.059 176.300 -0.199 0.000 1.127 329 D CA 0.552 54.483 54.000 -0.114 0.000 0.855 329 D CB 0.958 41.733 40.800 -0.042 0.000 1.180 329 D HN 0.604 nan 8.370 nan 0.000 0.484 330 L N 2.941 123.920 121.223 -0.406 0.000 2.558 330 L HA -0.044 4.296 4.340 0.000 0.000 0.225 330 L C 2.113 178.779 176.870 -0.341 0.000 1.128 330 L CA 0.387 54.902 54.840 -0.542 0.000 0.868 330 L CB 0.014 41.407 42.059 -1.111 0.000 1.006 330 L HN 0.399 nan 8.230 nan 0.000 0.454 331 T N -2.115 112.372 114.554 -0.112 0.000 3.044 331 T HA -0.076 4.274 4.350 0.000 0.000 0.237 331 T C 1.914 176.641 174.700 0.045 0.000 1.001 331 T CA 1.319 63.481 62.100 0.104 0.000 1.160 331 T CB -0.025 69.027 68.868 0.306 0.000 0.889 331 T HN 0.361 nan 8.240 nan 0.000 0.442 332 T N 0.307 114.879 114.554 0.030 0.000 3.023 332 T HA 0.114 4.464 4.350 0.000 0.000 0.266 332 T C 0.872 175.563 174.700 -0.015 0.000 1.093 332 T CA 0.546 62.655 62.100 0.014 0.000 1.129 332 T CB -0.417 68.464 68.868 0.021 0.000 0.899 332 T HN 0.441 nan 8.240 nan 0.000 0.491 333 K N 0.289 120.664 120.400 -0.042 0.000 3.281 333 K HA -0.111 4.209 4.320 0.000 0.000 0.295 333 K C 0.090 176.659 176.600 -0.051 0.000 1.233 333 K CA 0.322 56.574 56.287 -0.058 0.000 0.866 333 K CB -2.371 30.100 32.500 -0.049 0.000 1.265 333 K HN 0.686 nan 8.250 nan 0.000 0.482 334 A N 1.819 124.614 122.820 -0.042 0.000 2.301 334 A HA 0.464 4.784 4.320 0.000 0.000 0.312 334 A C 0.285 177.841 177.584 -0.047 0.000 1.182 334 A CA -0.600 51.414 52.037 -0.038 0.000 0.826 334 A CB 0.744 19.731 19.000 -0.021 0.000 1.134 334 A HN 0.330 nan 8.150 nan 0.000 0.501 335 R N 2.530 122.996 120.500 -0.057 0.000 2.438 335 R HA 0.454 4.794 4.340 0.000 0.000 0.287 335 R C 0.267 176.550 176.300 -0.028 0.000 1.077 335 R CA 0.086 56.147 56.100 -0.065 0.000 1.034 335 R CB 0.544 30.782 30.300 -0.103 0.000 0.993 335 R HN 0.849 nan 8.270 nan 0.000 0.459 336 A N 3.406 126.230 122.820 0.007 0.000 2.531 336 A HA 0.055 4.375 4.320 0.000 0.000 0.236 336 A C 0.885 178.551 177.584 0.138 0.000 1.062 336 A CA 0.078 52.155 52.037 0.067 0.000 0.760 336 A CB 0.394 19.430 19.000 0.060 0.000 0.995 336 A HN 0.936 nan 8.150 nan 0.000 0.501 337 T N 1.248 115.865 114.554 0.105 0.000 3.023 337 T HA 0.290 4.640 4.350 0.000 0.000 0.266 337 T C 0.854 175.685 174.700 0.218 0.000 1.093 337 T CA 1.348 63.507 62.100 0.099 0.000 1.129 337 T CB -0.119 68.780 68.868 0.052 0.000 0.899 337 T HN 1.010 nan 8.240 nan 0.000 0.491 338 A N 1.949 124.904 122.820 0.226 0.000 2.380 338 A HA 0.758 5.079 4.320 0.000 0.000 0.315 338 A C -2.850 174.703 177.584 -0.053 0.000 1.101 338 A CA -2.026 50.117 52.037 0.177 0.000 0.771 338 A CB 1.336 20.384 19.000 0.080 0.000 1.287 338 A HN 0.014 nan 8.150 nan 0.000 0.436 339 P HA 0.569 nan 4.420 nan 0.000 0.287 339 P C -0.523 176.645 177.300 -0.220 0.000 1.270 339 P CA -0.168 62.499 63.100 -0.721 0.000 0.844 339 P CB 1.558 32.780 31.700 -0.798 0.000 1.068 340 T N -2.812 111.690 114.554 -0.088 0.000 2.906 340 T HA 0.492 4.842 4.350 0.000 0.000 0.295 340 T C -0.438 174.312 174.700 0.083 0.000 1.075 340 T CA -0.661 61.477 62.100 0.063 0.000 1.005 340 T CB 0.509 69.469 68.868 0.153 0.000 1.136 340 T HN 0.167 nan 8.240 nan 0.000 0.498 341 T N 2.506 117.108 114.554 0.080 0.000 2.761 341 T HA 0.476 4.827 4.350 0.000 0.000 0.296 341 T C -0.020 174.649 174.700 -0.052 0.000 0.934 341 T CA -0.384 61.730 62.100 0.023 0.000 1.091 341 T CB 0.229 69.147 68.868 0.083 0.000 0.896 341 T HN 0.587 nan 8.240 nan 0.000 0.515 342 R N 3.570 123.930 120.500 -0.234 0.000 2.288 342 R HA 0.330 4.670 4.340 0.000 0.000 0.326 342 R C -0.652 175.314 176.300 -0.557 0.000 0.959 342 R CA -0.628 55.209 56.100 -0.438 0.000 0.834 342 R CB 0.137 29.903 30.300 -0.891 0.000 1.157 342 R HN 0.413 nan 8.270 nan 0.000 0.470 343 N N 3.871 122.151 118.700 -0.699 0.000 2.514 343 N HA 0.278 5.018 4.740 0.000 0.000 0.277 343 N C -1.039 173.984 175.510 -0.811 0.000 1.126 343 N CA -0.099 52.363 53.050 -0.981 0.000 0.978 343 N CB 0.996 38.637 38.487 -1.411 0.000 1.106 343 N HN 0.350 nan 8.380 nan 0.000 0.461 344 L N 2.419 123.205 121.223 -0.728 0.000 2.471 344 L HA 0.361 4.701 4.340 0.000 0.000 0.263 344 L C -0.772 176.031 176.870 -0.112 0.000 0.985 344 L CA -0.427 54.261 54.840 -0.254 0.000 0.868 344 L CB 1.427 43.378 42.059 -0.181 0.000 1.203 344 L HN 0.332 nan 8.230 nan 0.000 0.429 345 L N 2.348 123.737 121.223 0.277 0.000 2.325 345 L HA 0.716 5.057 4.340 0.000 0.000 0.279 345 L C -0.011 176.917 176.870 0.097 0.000 1.054 345 L CA 0.519 55.505 54.840 0.244 0.000 0.804 345 L CB 1.772 44.054 42.059 0.372 0.000 1.200 345 L HN 0.508 nan 8.230 nan 0.000 0.436 346 T N 3.418 117.953 114.554 -0.031 0.000 2.893 346 T HA 0.368 4.718 4.350 0.000 0.000 0.324 346 T C -0.059 174.529 174.700 -0.188 0.000 1.082 346 T CA -0.349 61.717 62.100 -0.057 0.000 0.983 346 T CB 0.383 69.260 68.868 0.015 0.000 1.005 346 T HN 0.842 nan 8.240 nan 0.000 0.475 347 T N 1.376 115.712 114.554 -0.362 0.000 2.874 347 T HA 0.353 4.703 4.350 0.000 0.000 0.281 347 T C -1.724 172.843 174.700 -0.221 0.000 0.994 347 T CA -1.939 59.926 62.100 -0.391 0.000 1.015 347 T CB 0.920 69.344 68.868 -0.741 0.000 1.028 347 T HN 0.031 nan 8.240 nan 0.000 0.523 348 P HA -0.023 nan 4.420 nan 0.000 0.220 348 P C 1.224 178.533 177.300 0.015 0.000 1.144 348 P CA 0.963 64.077 63.100 0.024 0.000 0.800 348 P CB 0.151 31.893 31.700 0.070 0.000 0.772 349 K N -1.902 118.446 120.400 -0.087 0.000 2.367 349 K HA 0.198 4.518 4.320 0.000 0.000 0.195 349 K C 0.406 177.090 176.600 0.140 0.000 1.060 349 K CA 0.322 56.627 56.287 0.030 0.000 1.022 349 K CB 0.710 33.294 32.500 0.140 0.000 0.894 349 K HN 0.232 nan 8.250 nan 0.000 0.540 350 F N -2.727 117.241 119.950 0.030 0.000 2.842 350 F HA 0.323 4.850 4.527 0.000 0.000 0.319 350 F C -1.202 174.673 175.800 0.124 0.000 1.159 350 F CA -1.089 56.965 58.000 0.090 0.000 0.902 350 F CB 0.894 39.922 39.000 0.046 0.000 1.311 350 F HN -0.403 nan 8.300 nan 0.000 0.453 351 T N 2.838 117.667 114.554 0.459 0.000 2.893 351 T HA 0.565 4.916 4.350 0.000 0.000 0.324 351 T C -0.286 174.756 174.700 0.570 0.000 1.082 351 T CA -0.581 61.745 62.100 0.376 0.000 0.983 351 T CB 0.518 69.561 68.868 0.291 0.000 1.005 351 T HN 0.778 nan 8.240 nan 0.000 0.475 352 V N 1.346 121.608 119.914 0.580 0.000 3.003 352 V HA 0.936 5.056 4.120 0.000 0.000 0.305 352 V C 0.259 176.753 176.094 0.666 0.000 1.078 352 V CA -0.952 61.714 62.300 0.610 0.000 1.083 352 V CB 0.754 32.936 31.823 0.598 0.000 1.039 352 V HN 0.950 nan 8.190 nan 0.000 0.481 353 A N 3.067 126.323 122.820 0.725 0.000 2.574 353 A HA 0.904 5.224 4.320 0.000 0.000 0.297 353 A C -1.263 176.785 177.584 0.772 0.000 1.062 353 A CA -0.394 52.024 52.037 0.636 0.000 0.686 353 A CB 1.484 20.721 19.000 0.394 0.000 1.285 353 A HN 2.083 nan 8.150 nan 0.000 0.403 354 W N 0.583 121.978 121.300 0.158 0.000 3.153 354 W HA 0.615 5.275 4.660 0.000 0.000 0.316 354 W C -1.743 174.836 176.519 0.100 0.000 1.255 354 W CA -0.757 56.684 57.345 0.160 0.000 1.192 354 W CB 0.614 30.222 29.460 0.246 0.000 1.400 354 W HN 0.500 nan 8.180 nan 0.000 0.568 355 D N 2.036 122.542 120.400 0.178 0.000 2.343 355 D HA 0.018 4.658 4.640 0.000 0.000 0.255 355 D C -0.642 175.690 176.300 0.053 0.000 1.187 355 D CA 0.433 54.476 54.000 0.071 0.000 0.875 355 D CB 0.647 41.528 40.800 0.136 0.000 1.136 355 D HN 0.531 nan 8.370 nan 0.000 0.469 356 W N 4.385 125.569 121.300 -0.194 0.000 2.216 356 W HA 0.318 4.978 4.660 0.000 0.000 0.326 356 W C -0.522 175.989 176.519 -0.013 0.000 1.319 356 W CA -0.340 56.922 57.345 -0.138 0.000 1.213 356 W CB 0.534 29.889 29.460 -0.175 0.000 1.171 356 W HN 0.183 nan 8.180 nan 0.000 0.557 357 V N 4.172 123.466 119.914 -1.034 0.000 3.007 357 V HA 0.657 4.777 4.120 0.000 0.000 0.311 357 V C -2.610 172.684 176.094 -1.334 0.000 1.120 357 V CA -3.196 58.477 62.300 -1.046 0.000 0.980 357 V CB 1.446 33.055 31.823 -0.356 0.000 1.033 357 V HN 0.504 nan 8.190 nan 0.000 0.429 358 P HA 0.173 nan 4.420 nan 0.000 0.268 358 P C 0.345 177.338 177.300 -0.513 0.000 1.208 358 P CA -0.134 62.627 63.100 -0.566 0.000 0.777 358 P CB 0.699 32.223 31.700 -0.294 0.000 0.875 359 K N 2.897 122.884 120.400 -0.689 0.000 2.076 359 K HA -0.062 4.258 4.320 0.000 0.000 0.204 359 K C 1.756 177.819 176.600 -0.895 0.000 1.051 359 K CA 1.218 56.617 56.287 -1.480 0.000 0.949 359 K CB 0.016 31.751 32.500 -1.275 0.000 0.726 359 K HN 0.275 nan 8.250 nan 0.000 0.443 360 R N 0.130 120.334 120.500 -0.494 0.000 2.075 360 R HA -0.077 4.263 4.340 0.000 0.000 0.232 360 R C -0.720 175.425 176.300 -0.259 0.000 1.126 360 R CA 1.349 57.255 56.100 -0.323 0.000 0.963 360 R CB -1.006 29.171 30.300 -0.204 0.000 0.858 360 R HN 0.268 nan 8.270 nan 0.000 0.435 361 P HA 0.062 nan 4.420 nan 0.000 0.219 361 P C 0.828 178.051 177.300 -0.128 0.000 1.154 361 P CA 1.091 64.104 63.100 -0.144 0.000 0.826 361 P CB 0.184 31.816 31.700 -0.114 0.000 0.795 362 S N -1.024 114.570 115.700 -0.177 0.000 2.515 362 S HA 0.057 4.527 4.470 0.000 0.000 0.231 362 S C 0.887 175.450 174.600 -0.062 0.000 0.987 362 S CA 0.338 58.508 58.200 -0.049 0.000 0.936 362 S CB -0.305 62.925 63.200 0.049 0.000 0.766 362 S HN -0.043 nan 8.310 nan 0.000 0.528 363 V N -0.476 119.287 119.914 -0.251 0.000 3.074 363 V HA 0.722 4.842 4.120 0.000 0.000 0.314 363 V C -1.155 174.860 176.094 -0.133 0.000 1.117 363 V CA -0.704 61.434 62.300 -0.270 0.000 1.014 363 V CB 2.055 33.476 31.823 -0.670 0.000 1.057 363 V HN 0.295 nan 8.190 nan 0.000 0.438 364 c N 2.134 120.715 118.600 -0.032 0.000 3.254 364 c HA 0.419 4.989 4.570 0.000 0.000 0.405 364 c C 0.868 175.012 174.090 0.090 0.000 1.027 364 c CA 0.169 56.507 56.329 0.015 0.000 1.192 364 c CB 1.033 43.556 42.510 0.020 0.000 1.567 364 c HN 1.084 nan 8.230 nan 0.000 0.582 365 T N 1.621 116.218 114.554 0.072 0.000 3.219 365 T HA 0.349 4.699 4.350 0.000 0.000 0.249 365 T C 0.314 175.044 174.700 0.049 0.000 1.099 365 T CA 0.124 62.271 62.100 0.078 0.000 0.988 365 T CB -0.190 68.696 68.868 0.030 0.000 0.999 365 T HN 0.582 nan 8.240 nan 0.000 0.550 366 M N 1.110 120.754 119.600 0.073 0.000 2.531 366 M HA 0.407 4.887 4.480 0.000 0.000 0.286 366 M C -1.312 175.146 176.300 0.263 0.000 1.232 366 M CA -0.316 55.063 55.300 0.132 0.000 0.877 366 M CB 2.591 35.230 32.600 0.065 0.000 1.726 366 M HN -0.030 nan 8.290 nan 0.000 0.463 367 T N 1.498 116.253 114.554 0.336 0.000 2.841 367 T HA 0.292 4.642 4.350 0.000 0.000 0.285 367 T C -0.311 174.535 174.700 0.243 0.000 0.991 367 T CA -0.702 61.582 62.100 0.306 0.000 0.966 367 T CB 1.883 70.859 68.868 0.180 0.000 0.962 367 T HN 0.524 nan 8.240 nan 0.000 0.438 368 K N 2.294 122.694 120.400 0.000 0.000 2.430 368 K HA -0.028 4.292 4.320 0.000 0.000 0.280 368 K C -0.022 176.502 176.600 -0.125 0.000 1.063 368 K CA 0.130 56.059 56.287 -0.596 0.000 1.071 368 K CB 0.287 32.519 32.500 -0.447 0.000 0.899 368 K HN 0.718 nan 8.250 nan 0.000 0.473 369 W N 3.819 124.942 121.300 -0.294 0.000 3.103 369 W HA 0.118 4.779 4.660 0.000 0.000 0.258 369 W C -0.263 176.185 176.519 -0.118 0.000 1.001 369 W CA 0.553 57.829 57.345 -0.115 0.000 1.940 369 W CB 0.648 30.106 29.460 -0.004 0.000 1.116 369 W HN 0.389 nan 8.180 nan 0.000 0.600 370 Q N 1.926 121.476 119.800 -0.417 0.000 2.330 370 Q HA 0.247 4.587 4.340 0.000 0.000 0.269 370 Q C -1.298 174.501 176.000 -0.335 0.000 1.022 370 Q CA -0.317 55.127 55.803 -0.597 0.000 0.796 370 Q CB 1.968 30.156 28.738 -0.917 0.000 1.271 370 Q HN 0.257 nan 8.270 nan 0.000 0.450 371 E N 1.355 121.393 120.200 -0.270 0.000 2.197 371 E HA 0.479 4.829 4.350 0.000 0.000 0.281 371 E C -0.760 175.751 176.600 -0.148 0.000 0.995 371 E CA -0.583 55.709 56.400 -0.179 0.000 0.808 371 E CB 1.805 31.423 29.700 -0.137 0.000 1.093 371 E HN 0.159 nan 8.360 nan 0.000 0.394 372 V N 3.769 123.623 119.914 -0.100 0.000 2.443 372 V HA 0.041 4.161 4.120 0.000 0.000 0.293 372 V C 0.010 176.092 176.094 -0.019 0.000 1.021 372 V CA -0.636 61.629 62.300 -0.058 0.000 0.848 372 V CB 1.554 33.364 31.823 -0.022 0.000 0.998 372 V HN 0.643 nan 8.190 nan 0.000 0.424 373 D N 2.275 122.674 120.400 -0.003 0.000 2.077 373 D HA -0.078 4.562 4.640 0.000 0.000 0.193 373 D C 0.689 177.044 176.300 0.091 0.000 0.989 373 D CA 1.511 55.543 54.000 0.054 0.000 0.831 373 D CB 0.293 41.116 40.800 0.038 0.000 0.979 373 D HN 0.684 nan 8.370 nan 0.000 0.449 374 E N -0.010 120.230 120.200 0.067 0.000 2.063 374 E HA 0.304 4.654 4.350 0.000 0.000 0.265 374 E C -0.696 175.977 176.600 0.122 0.000 0.919 374 E CA -0.377 56.079 56.400 0.093 0.000 0.756 374 E CB 1.421 31.155 29.700 0.056 0.000 1.120 374 E HN -0.013 nan 8.360 nan 0.000 0.414 375 M N 4.799 124.518 119.600 0.198 0.000 2.027 375 M HA 0.252 4.732 4.480 0.000 0.000 0.329 375 M C -1.510 175.037 176.300 0.411 0.000 0.971 375 M CA -0.368 55.124 55.300 0.321 0.000 0.933 375 M CB 0.355 33.205 32.600 0.416 0.000 1.392 375 M HN 0.390 nan 8.290 nan 0.000 0.394 376 L N 3.912 125.296 121.223 0.268 0.000 2.455 376 L HA 0.291 4.631 4.340 0.000 0.000 0.272 376 L C 0.379 177.371 176.870 0.203 0.000 1.174 376 L CA 0.106 55.085 54.840 0.231 0.000 0.869 376 L CB 0.243 42.332 42.059 0.050 0.000 1.130 376 L HN 0.657 nan 8.230 nan 0.000 0.474 377 R N 2.629 123.223 120.500 0.157 0.000 2.437 377 R HA 0.516 4.856 4.340 0.000 0.000 0.310 377 R C -0.753 175.600 176.300 0.088 0.000 0.955 377 R CA -0.297 55.702 56.100 -0.167 0.000 0.851 377 R CB 1.625 31.578 30.300 -0.578 0.000 1.161 377 R HN 0.839 nan 8.270 nan 0.000 0.446 378 S N 1.743 117.503 115.700 0.101 0.000 2.667 378 S HA 0.370 4.840 4.470 0.000 0.000 0.292 378 S C -0.945 173.662 174.600 0.012 0.000 1.126 378 S CA -0.962 57.302 58.200 0.107 0.000 0.881 378 S CB 2.012 65.365 63.200 0.254 0.000 1.132 378 S HN 0.689 nan 8.310 nan 0.000 0.492 379 E N 0.552 120.641 120.200 -0.185 0.000 2.141 379 E HA 0.394 4.744 4.350 0.000 0.000 0.259 379 E C -2.008 174.374 176.600 -0.363 0.000 0.883 379 E CA -0.582 55.579 56.400 -0.399 0.000 0.744 379 E CB 0.720 30.137 29.700 -0.472 0.000 1.150 379 E HN 0.664 nan 8.360 nan 0.000 0.420 380 Y N 2.056 122.202 120.300 -0.257 0.000 2.376 380 Y HA 0.351 4.902 4.550 0.000 0.000 0.326 380 Y C 0.790 176.608 175.900 -0.137 0.000 0.970 380 Y CA -0.363 57.644 58.100 -0.155 0.000 1.248 380 Y CB 2.128 40.534 38.460 -0.090 0.000 1.117 380 Y HN 0.784 nan 8.280 nan 0.000 0.476 381 G N 2.368 111.146 108.800 -0.036 0.000 2.395 381 G HA2 0.013 3.974 3.960 0.000 0.000 0.292 381 G HA3 0.013 3.974 3.960 0.000 0.000 0.292 381 G C 0.941 175.819 174.900 -0.036 0.000 0.953 381 G CA 0.875 45.959 45.100 -0.028 0.000 1.207 381 G HN 1.754 nan 8.290 nan 0.000 0.503 382 G N -2.181 106.564 108.800 -0.093 0.000 2.182 382 G HA2 0.145 4.105 3.960 0.000 0.000 0.248 382 G HA3 0.145 4.105 3.960 0.000 0.000 0.248 382 G C 0.200 175.055 174.900 -0.075 0.000 1.042 382 G CA 0.582 45.634 45.100 -0.080 0.000 0.775 382 G HN 1.835 nan 8.290 nan 0.000 0.501 383 S N -1.596 114.008 115.700 -0.159 0.000 2.565 383 S HA 0.745 5.215 4.470 0.000 0.000 0.269 383 S C -1.167 173.267 174.600 -0.277 0.000 1.153 383 S CA -0.753 57.389 58.200 -0.095 0.000 0.835 383 S CB 1.497 64.718 63.200 0.036 0.000 1.122 383 S HN 0.414 nan 8.310 nan 0.000 0.462 384 F N 1.760 121.687 119.950 -0.038 0.000 2.436 384 F HA 0.511 5.038 4.527 0.000 0.000 0.340 384 F C 0.763 176.478 175.800 -0.141 0.000 1.113 384 F CA -0.583 57.294 58.000 -0.204 0.000 1.022 384 F CB 1.304 40.019 39.000 -0.476 0.000 1.128 384 F HN 0.212 nan 8.300 nan 0.000 0.466 385 R N 3.981 124.488 120.500 0.012 0.000 2.239 385 R HA 0.322 4.662 4.340 0.000 0.000 0.332 385 R C -1.489 174.811 176.300 0.000 0.000 0.988 385 R CA -0.547 55.594 56.100 0.069 0.000 0.859 385 R CB 0.696 31.018 30.300 0.037 0.000 1.148 385 R HN 0.470 nan 8.270 nan 0.000 0.482 386 F N 1.564 121.664 119.950 0.251 0.000 2.377 386 F HA 0.096 4.623 4.527 0.000 0.000 0.360 386 F C 1.123 177.104 175.800 0.302 0.000 1.147 386 F CA -0.111 58.045 58.000 0.260 0.000 1.170 386 F CB 1.097 40.263 39.000 0.277 0.000 1.339 386 F HN 0.335 nan 8.300 nan 0.000 0.552 387 S N 2.776 118.674 115.700 0.329 0.000 2.499 387 S HA 0.295 4.765 4.470 0.000 0.000 0.275 387 S C 0.017 174.774 174.600 0.262 0.000 1.257 387 S CA -0.470 57.902 58.200 0.286 0.000 1.050 387 S CB 0.689 63.991 63.200 0.171 0.000 0.937 387 S HN 0.479 nan 8.310 nan 0.000 0.490 388 S N 3.999 119.813 115.700 0.189 0.000 2.601 388 S HA 0.216 4.686 4.470 0.000 0.000 0.312 388 S C 0.813 175.348 174.600 -0.108 0.000 1.107 388 S CA -0.770 57.464 58.200 0.056 0.000 1.129 388 S CB 0.916 64.133 63.200 0.027 0.000 0.982 388 S HN 0.900 nan 8.310 nan 0.000 0.469 389 D N 4.873 125.270 120.400 -0.005 0.000 2.123 389 D HA -0.131 4.509 4.640 0.000 0.000 0.196 389 D C 1.892 178.067 176.300 -0.208 0.000 0.992 389 D CA 1.519 55.488 54.000 -0.051 0.000 0.833 389 D CB -0.014 40.804 40.800 0.029 0.000 0.954 389 D HN 0.702 nan 8.370 nan 0.000 0.455 390 A N 1.262 123.990 122.820 -0.154 0.000 1.859 390 A HA -0.179 4.141 4.320 0.000 0.000 0.217 390 A C 2.413 179.859 177.584 -0.230 0.000 1.198 390 A CA 2.214 54.154 52.037 -0.161 0.000 0.629 390 A CB -0.886 18.040 19.000 -0.124 0.000 0.830 390 A HN 0.525 nan 8.150 nan 0.000 0.446 391 I N -4.557 115.845 120.570 -0.280 0.000 3.883 391 I HA 0.229 4.400 4.170 0.000 0.000 0.326 391 I C 0.114 175.963 176.117 -0.446 0.000 1.283 391 I CA 0.508 61.621 61.300 -0.310 0.000 1.161 391 I CB -0.164 37.663 38.000 -0.288 0.000 1.012 391 I HN 0.098 nan 8.210 nan 0.000 0.421 392 S N 1.308 116.574 115.700 -0.722 0.000 3.625 392 S HA -0.132 4.338 4.470 0.000 0.000 0.426 392 S C -0.017 173.981 174.600 -1.004 0.000 0.884 392 S CA 0.846 58.250 58.200 -1.326 0.000 1.322 392 S CB -1.934 60.817 63.200 -0.747 0.000 0.905 392 S HN 0.763 nan 8.310 nan 0.000 0.586 393 T N 1.612 115.662 114.554 -0.841 0.000 3.172 393 T HA 0.485 4.836 4.350 0.000 0.000 0.320 393 T C -0.368 174.142 174.700 -0.316 0.000 1.085 393 T CA -0.573 61.226 62.100 -0.502 0.000 1.052 393 T CB 2.045 70.590 68.868 -0.540 0.000 1.107 393 T HN 0.206 nan 8.240 nan 0.000 0.458 394 T N 3.370 117.762 114.554 -0.270 0.000 2.807 394 T HA 0.680 5.030 4.350 0.000 0.000 0.279 394 T C -0.799 173.732 174.700 -0.282 0.000 0.993 394 T CA -0.448 61.598 62.100 -0.090 0.000 0.970 394 T CB 0.409 69.329 68.868 0.086 0.000 0.950 394 T HN 0.330 nan 8.240 nan 0.000 0.441 395 F N 1.305 121.373 119.950 0.197 0.000 2.458 395 F HA 0.543 5.070 4.527 0.000 0.000 0.330 395 F C 0.975 176.954 175.800 0.299 0.000 1.082 395 F CA -0.811 57.337 58.000 0.246 0.000 0.995 395 F CB 1.738 40.907 39.000 0.282 0.000 1.170 395 F HN 0.313 nan 8.300 nan 0.000 0.478 396 T N 1.075 115.911 114.554 0.471 0.000 2.786 396 T HA 0.545 4.895 4.350 0.000 0.000 0.283 396 T C -0.161 174.761 174.700 0.370 0.000 0.992 396 T CA -0.736 61.577 62.100 0.355 0.000 0.954 396 T CB 1.173 70.195 68.868 0.257 0.000 0.934 396 T HN 0.773 nan 8.240 nan 0.000 0.440 397 T N 1.031 115.806 114.554 0.368 0.000 2.831 397 T HA 0.614 4.964 4.350 0.000 0.000 0.287 397 T C -0.269 174.616 174.700 0.309 0.000 1.070 397 T CA -0.975 61.340 62.100 0.358 0.000 1.010 397 T CB 1.290 70.423 68.868 0.442 0.000 1.264 397 T HN 0.245 nan 8.240 nan 0.000 0.532 398 N N -0.150 118.741 118.700 0.319 0.000 2.413 398 N HA 0.440 5.180 4.740 0.000 0.000 0.266 398 N C 1.207 176.957 175.510 0.401 0.000 1.238 398 N CA -0.838 52.385 53.050 0.290 0.000 0.972 398 N CB 0.513 39.155 38.487 0.258 0.000 1.210 398 N HN 0.611 nan 8.380 nan 0.000 0.547 399 L N -0.685 120.738 121.223 0.333 0.000 2.209 399 L HA 0.049 4.389 4.340 0.000 0.000 0.207 399 L C 1.298 178.481 176.870 0.521 0.000 1.094 399 L CA 0.752 55.865 54.840 0.455 0.000 0.790 399 L CB -0.200 41.983 42.059 0.207 0.000 0.932 399 L HN 0.435 nan 8.230 nan 0.000 0.447 400 T N -0.044 114.752 114.554 0.403 0.000 2.882 400 T HA 0.193 4.544 4.350 0.000 0.000 0.287 400 T C 0.393 175.331 174.700 0.396 0.000 0.992 400 T CA -0.551 61.762 62.100 0.355 0.000 1.076 400 T CB 0.909 69.903 68.868 0.210 0.000 0.961 400 T HN 0.123 nan 8.240 nan 0.000 0.490 401 E N 1.873 122.189 120.200 0.194 0.000 2.901 401 E HA 0.099 4.449 4.350 0.000 0.000 0.284 401 E C -1.165 175.493 176.600 0.096 0.000 1.473 401 E CA 0.033 56.352 56.400 -0.134 0.000 1.292 401 E CB 0.313 29.828 29.700 -0.309 0.000 1.013 401 E HN 0.637 nan 8.360 nan 0.000 0.654 402 Y N 0.123 120.373 120.300 -0.083 0.000 2.373 402 Y HA 0.289 4.839 4.550 0.000 0.000 0.336 402 Y C -2.476 173.393 175.900 -0.051 0.000 0.979 402 Y CA -2.581 55.508 58.100 -0.019 0.000 1.080 402 Y CB 1.549 40.018 38.460 0.016 0.000 1.190 402 Y HN 0.196 nan 8.280 nan 0.000 0.446 403 P HA 0.166 nan 4.420 nan 0.000 0.270 403 P C 0.523 177.677 177.300 -0.243 0.000 1.242 403 P CA 0.222 63.146 63.100 -0.292 0.000 0.768 403 P CB 0.825 32.331 31.700 -0.323 0.000 0.820 404 L N 1.956 123.091 121.223 -0.146 0.000 2.141 404 L HA -0.178 4.162 4.340 0.000 0.000 0.209 404 L C 2.267 179.062 176.870 -0.125 0.000 1.094 404 L CA 1.764 56.517 54.840 -0.146 0.000 0.763 404 L CB -0.843 41.051 42.059 -0.275 0.000 0.908 404 L HN 0.402 nan 8.230 nan 0.000 0.437 405 S N -0.074 115.549 115.700 -0.128 0.000 2.419 405 S HA -0.267 4.203 4.470 0.000 0.000 0.235 405 S C 2.036 176.579 174.600 -0.094 0.000 1.019 405 S CA 1.067 59.205 58.200 -0.102 0.000 0.982 405 S CB -0.497 62.647 63.200 -0.092 0.000 0.789 405 S HN 0.423 nan 8.310 nan 0.000 0.490 406 R N 0.873 121.295 120.500 -0.130 0.000 2.235 406 R HA 0.146 4.486 4.340 0.000 0.000 0.213 406 R C -0.267 176.011 176.300 -0.037 0.000 1.059 406 R CA 0.235 56.263 56.100 -0.121 0.000 0.997 406 R CB -0.107 30.036 30.300 -0.262 0.000 0.884 406 R HN 0.326 nan 8.270 nan 0.000 0.462 407 V N 1.869 121.776 119.914 -0.011 0.000 2.583 407 V HA 0.015 4.136 4.120 0.000 0.000 0.287 407 V C -0.231 175.858 176.094 -0.008 0.000 1.051 407 V CA -0.522 61.790 62.300 0.020 0.000 1.010 407 V CB 1.417 33.247 31.823 0.011 0.000 0.988 407 V HN 0.112 nan 8.190 nan 0.000 0.478 408 D N 4.724 125.129 120.400 0.009 0.000 2.316 408 D HA 0.314 4.954 4.640 0.000 0.000 0.245 408 D C 0.235 176.563 176.300 0.046 0.000 1.171 408 D CA -0.105 53.919 54.000 0.040 0.000 0.856 408 D CB 0.189 41.040 40.800 0.085 0.000 1.090 408 D HN 0.520 nan 8.370 nan 0.000 0.476 409 L N 3.367 124.601 121.223 0.017 0.000 3.639 409 L HA -0.174 4.166 4.340 0.000 0.000 0.648 409 L C 0.414 177.262 176.870 -0.037 0.000 1.130 409 L CA 0.641 55.473 54.840 -0.014 0.000 1.057 409 L CB -0.947 41.136 42.059 0.040 0.000 1.428 409 L HN 0.706 nan 8.230 nan 0.000 0.829 410 G N 0.152 108.906 108.800 -0.077 0.000 4.566 410 G HA2 0.453 4.413 3.960 0.000 0.000 0.276 410 G HA3 0.453 4.413 3.960 0.000 0.000 0.276 410 G C 0.195 175.006 174.900 -0.148 0.000 1.248 410 G CA -0.287 44.744 45.100 -0.115 0.000 0.858 410 G HN 0.385 nan 8.290 nan 0.000 0.549 411 D N 0.183 120.510 120.400 -0.122 0.000 2.277 411 D HA -0.046 4.594 4.640 0.000 0.000 0.209 411 D C 2.782 179.023 176.300 -0.098 0.000 0.970 411 D CA 1.087 55.018 54.000 -0.115 0.000 0.874 411 D CB -0.084 40.657 40.800 -0.099 0.000 0.982 411 D HN 0.463 nan 8.370 nan 0.000 0.504 412 c N 0.872 119.429 118.600 -0.072 0.000 2.411 412 c HA -0.052 4.518 4.570 0.000 0.000 0.279 412 c C 2.642 176.718 174.090 -0.022 0.000 1.288 412 c CA -0.076 56.244 56.329 -0.015 0.000 1.764 412 c CB -1.520 41.011 42.510 0.034 0.000 1.974 412 c HN 0.206 nan 8.230 nan 0.000 0.498 413 I N 2.247 122.706 120.570 -0.185 0.000 2.151 413 I HA -0.126 4.044 4.170 0.000 0.000 0.243 413 I C 3.047 179.045 176.117 -0.200 0.000 1.080 413 I CA 1.987 63.000 61.300 -0.478 0.000 1.339 413 I CB -1.261 36.290 38.000 -0.748 0.000 1.039 413 I HN 0.540 nan 8.210 nan 0.000 0.409 414 G N 1.024 109.733 108.800 -0.153 0.000 2.545 414 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 414 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 414 G C 1.637 176.562 174.900 0.042 0.000 1.218 414 G CA 1.052 46.126 45.100 -0.044 0.000 0.787 414 G HN 0.251 nan 8.290 nan 0.000 0.571 415 K N 0.850 121.268 120.400 0.029 0.000 2.020 415 K HA -0.069 4.251 4.320 0.000 0.000 0.212 415 K C 2.240 178.901 176.600 0.101 0.000 1.050 415 K CA 1.644 57.962 56.287 0.053 0.000 0.929 415 K CB -0.384 32.138 32.500 0.036 0.000 0.714 415 K HN 0.218 nan 8.250 nan 0.000 0.443 416 D N 0.304 120.801 120.400 0.161 0.000 2.106 416 D HA -0.187 4.453 4.640 0.000 0.000 0.191 416 D C 1.863 178.319 176.300 0.260 0.000 0.997 416 D CA 1.745 55.892 54.000 0.246 0.000 0.834 416 D CB -0.508 40.567 40.800 0.459 0.000 0.956 416 D HN 0.229 nan 8.370 nan 0.000 0.448 417 A N 1.565 124.609 122.820 0.372 0.000 1.829 417 A HA -0.233 4.087 4.320 0.000 0.000 0.216 417 A C 2.189 179.861 177.584 0.148 0.000 1.207 417 A CA 1.982 54.210 52.037 0.318 0.000 0.622 417 A CB -0.756 18.486 19.000 0.403 0.000 0.846 417 A HN 0.163 nan 8.150 nan 0.000 0.447 418 R N -0.575 119.997 120.500 0.119 0.000 2.119 418 R HA -0.217 4.123 4.340 0.000 0.000 0.246 418 R C 1.940 178.261 176.300 0.035 0.000 1.146 418 R CA 1.608 57.739 56.100 0.053 0.000 0.962 418 R CB -0.713 29.613 30.300 0.043 0.000 0.863 418 R HN 0.670 nan 8.270 nan 0.000 0.442 419 D N 0.360 120.791 120.400 0.052 0.000 2.190 419 D HA -0.173 4.467 4.640 0.000 0.000 0.200 419 D C 1.639 177.956 176.300 0.029 0.000 0.992 419 D CA 1.685 55.708 54.000 0.038 0.000 0.854 419 D CB 0.050 40.879 40.800 0.048 0.000 0.936 419 D HN 0.319 nan 8.370 nan 0.000 0.462 420 A N -0.491 122.347 122.820 0.030 0.000 1.887 420 A HA 0.098 4.418 4.320 0.000 0.000 0.212 420 A C 2.305 179.891 177.584 0.003 0.000 1.198 420 A CA 0.793 52.837 52.037 0.010 0.000 0.628 420 A CB -0.444 18.552 19.000 -0.006 0.000 0.847 420 A HN 0.233 nan 8.150 nan 0.000 0.449 421 M N 0.201 119.795 119.600 -0.010 0.000 2.202 421 M HA -0.164 4.317 4.480 0.000 0.000 0.262 421 M C 1.147 177.446 176.300 -0.000 0.000 1.063 421 M CA 1.440 56.717 55.300 -0.039 0.000 1.097 421 M CB -0.535 32.018 32.600 -0.078 0.000 1.382 421 M HN 0.329 nan 8.290 nan 0.000 0.413 422 D N -0.050 120.351 120.400 0.001 0.000 2.091 422 D HA -0.119 4.521 4.640 0.000 0.000 0.199 422 D C 1.935 178.285 176.300 0.084 0.000 0.980 422 D CA 1.130 55.140 54.000 0.016 0.000 0.831 422 D CB -0.445 40.349 40.800 -0.012 0.000 0.987 422 D HN 0.323 nan 8.370 nan 0.000 0.460 423 R N 0.622 121.157 120.500 0.058 0.000 2.105 423 R HA -0.082 4.258 4.340 0.000 0.000 0.239 423 R C 2.279 178.631 176.300 0.086 0.000 1.135 423 R CA 0.961 57.098 56.100 0.062 0.000 0.967 423 R CB -0.217 30.104 30.300 0.035 0.000 0.861 423 R HN 0.167 nan 8.270 nan 0.000 0.442 424 I N -0.341 120.283 120.570 0.090 0.000 2.193 424 I HA -0.221 3.950 4.170 0.000 0.000 0.240 424 I C 2.086 178.340 176.117 0.228 0.000 1.084 424 I CA 1.017 62.388 61.300 0.118 0.000 1.365 424 I CB -0.411 37.634 38.000 0.075 0.000 1.064 424 I HN 0.164 nan 8.210 nan 0.000 0.410 425 F N 1.869 121.852 119.950 0.054 0.000 2.184 425 F HA -0.330 4.197 4.527 0.000 0.000 0.301 425 F C 2.366 178.254 175.800 0.148 0.000 1.076 425 F CA 1.466 59.533 58.000 0.112 0.000 1.295 425 F CB -0.106 38.868 39.000 -0.044 0.000 1.026 425 F HN 0.048 nan 8.300 nan 0.000 0.494 426 A N 0.946 123.967 122.820 0.335 0.000 1.821 426 A HA -0.225 4.095 4.320 0.000 0.000 0.215 426 A C 2.325 179.971 177.584 0.103 0.000 1.216 426 A CA 1.633 53.800 52.037 0.216 0.000 0.615 426 A CB -1.211 17.877 19.000 0.146 0.000 0.862 426 A HN 0.427 nan 8.150 nan 0.000 0.450 427 R N -0.964 119.579 120.500 0.072 0.000 2.226 427 R HA -0.170 4.170 4.340 0.000 0.000 0.246 427 R C 2.162 178.448 176.300 -0.022 0.000 1.161 427 R CA 1.898 58.012 56.100 0.023 0.000 0.997 427 R CB -0.159 30.152 30.300 0.018 0.000 0.870 427 R HN 0.551 nan 8.270 nan 0.000 0.465 428 R N -1.344 119.138 120.500 -0.030 0.000 2.207 428 R HA 0.049 4.389 4.340 0.000 0.000 0.184 428 R C 1.336 177.447 176.300 -0.315 0.000 1.280 428 R CA 0.277 56.263 56.100 -0.190 0.000 1.166 428 R CB -0.071 30.067 30.300 -0.270 0.000 1.116 428 R HN 0.168 nan 8.270 nan 0.000 0.494 429 Y N 2.860 122.913 120.300 -0.412 0.000 2.553 429 Y HA -0.047 4.503 4.550 0.000 0.000 0.303 429 Y C 1.636 177.013 175.900 -0.871 0.000 1.194 429 Y CA 0.418 58.078 58.100 -0.732 0.000 1.305 429 Y CB -0.440 37.286 38.460 -1.223 0.000 1.045 429 Y HN 0.328 nan 8.280 nan 0.000 0.514 430 N N 0.743 119.267 118.700 -0.292 0.000 2.364 430 N HA -0.123 4.617 4.740 0.000 0.000 0.183 430 N C 1.166 176.681 175.510 0.007 0.000 1.022 430 N CA 1.460 54.501 53.050 -0.015 0.000 0.883 430 N CB -0.161 38.376 38.487 0.084 0.000 0.965 430 N HN 0.276 nan 8.380 nan 0.000 0.438 431 A N -1.882 120.904 122.820 -0.057 0.000 2.671 431 A HA 0.376 4.696 4.320 0.000 0.000 0.265 431 A C 0.973 178.529 177.584 -0.047 0.000 1.148 431 A CA -0.111 51.911 52.037 -0.026 0.000 0.977 431 A CB 0.265 19.252 19.000 -0.022 0.000 1.242 431 A HN 0.261 nan 8.150 nan 0.000 0.591 432 T N -1.300 113.220 114.554 -0.058 0.000 3.010 432 T HA 0.279 4.629 4.350 0.000 0.000 0.252 432 T C 0.371 174.957 174.700 -0.190 0.000 0.963 432 T CA 0.566 62.616 62.100 -0.082 0.000 0.952 432 T CB 0.057 68.919 68.868 -0.010 0.000 1.182 432 T HN 0.505 nan 8.240 nan 0.000 0.495 433 H N 0.248 119.261 119.070 -0.095 0.000 2.949 433 H HA 0.808 5.364 4.556 0.000 0.000 0.310 433 H C -0.655 174.717 175.328 0.073 0.000 1.405 433 H CA -1.240 54.814 56.048 0.011 0.000 1.253 433 H CB 1.283 31.144 29.762 0.164 0.000 1.932 433 H HN 0.232 nan 8.280 nan 0.000 0.602 434 I N -2.116 118.637 120.570 0.306 0.000 2.752 434 I HA 0.469 4.639 4.170 0.000 0.000 0.295 434 I C -1.227 175.040 176.117 0.250 0.000 1.219 434 I CA -1.214 60.285 61.300 0.332 0.000 1.030 434 I CB 2.424 40.465 38.000 0.069 0.000 1.259 434 I HN 0.215 nan 8.210 nan 0.000 0.423 435 K N 3.718 124.242 120.400 0.207 0.000 2.448 435 K HA 0.378 4.698 4.320 0.000 0.000 0.278 435 K C -0.831 175.742 176.600 -0.045 0.000 1.009 435 K CA -0.306 55.992 56.287 0.018 0.000 0.995 435 K CB 1.328 33.742 32.500 -0.143 0.000 0.917 435 K HN 0.434 nan 8.250 nan 0.000 0.481 436 V N 3.112 123.015 119.914 -0.019 0.000 2.350 436 V HA 0.397 4.517 4.120 0.000 0.000 0.285 436 V C 0.597 176.698 176.094 0.012 0.000 1.014 436 V CA -0.170 62.152 62.300 0.036 0.000 0.831 436 V CB 0.499 32.370 31.823 0.081 0.000 1.000 436 V HN 1.112 nan 8.190 nan 0.000 0.433 437 G N 4.903 113.696 108.800 -0.012 0.000 2.752 437 G HA2 -0.161 3.800 3.960 0.000 0.000 0.234 437 G HA3 -0.161 3.800 3.960 0.000 0.000 0.234 437 G C -0.437 174.430 174.900 -0.056 0.000 1.367 437 G CA -0.487 44.485 45.100 -0.214 0.000 0.879 437 G HN 0.611 nan 8.290 nan 0.000 0.563 438 Q N 0.310 120.077 119.800 -0.055 0.000 2.256 438 Q HA 0.444 4.784 4.340 0.000 0.000 0.232 438 Q C -2.042 173.920 176.000 -0.063 0.000 0.965 438 Q CA -1.468 54.316 55.803 -0.031 0.000 0.908 438 Q CB 0.480 29.218 28.738 -0.000 0.000 1.209 438 Q HN 0.351 nan 8.270 nan 0.000 0.489 439 P HA -0.027 nan 4.420 nan 0.000 0.262 439 P C -0.855 176.266 177.300 -0.298 0.000 1.182 439 P CA 0.590 63.572 63.100 -0.198 0.000 0.761 439 P CB 0.401 31.992 31.700 -0.182 0.000 0.795 440 Q N 1.817 121.408 119.800 -0.348 0.000 2.297 440 Q HA 0.565 4.905 4.340 0.000 0.000 0.268 440 Q C -1.044 174.580 176.000 -0.627 0.000 1.045 440 Q CA -0.514 55.087 55.803 -0.337 0.000 0.861 440 Q CB 1.537 30.233 28.738 -0.070 0.000 1.344 440 Q HN 0.409 nan 8.270 nan 0.000 0.452 441 Y N 0.563 120.660 120.300 -0.338 0.000 2.346 441 Y HA 0.462 5.012 4.550 0.000 0.000 0.332 441 Y C -1.233 174.415 175.900 -0.421 0.000 0.985 441 Y CA -0.723 57.233 58.100 -0.240 0.000 1.112 441 Y CB 1.177 39.571 38.460 -0.110 0.000 1.170 441 Y HN 0.514 nan 8.280 nan 0.000 0.447 442 Y N 2.311 122.687 120.300 0.127 0.000 2.570 442 Y HA 0.609 5.159 4.550 0.000 0.000 0.345 442 Y C -0.952 174.973 175.900 0.042 0.000 1.014 442 Y CA -1.351 56.821 58.100 0.120 0.000 1.063 442 Y CB 1.713 40.243 38.460 0.117 0.000 1.272 442 Y HN 0.450 nan 8.280 nan 0.000 0.477 443 L N 2.198 123.548 121.223 0.212 0.000 2.295 443 L HA 0.881 5.221 4.340 0.000 0.000 0.285 443 L C -0.441 176.528 176.870 0.164 0.000 1.035 443 L CA -0.513 54.352 54.840 0.041 0.000 0.806 443 L CB 0.669 42.642 42.059 -0.143 0.000 1.214 443 L HN 0.728 nan 8.230 nan 0.000 0.426 444 A N 3.809 126.734 122.820 0.175 0.000 2.311 444 A HA 0.615 4.935 4.320 0.000 0.000 0.334 444 A C -0.252 177.518 177.584 0.310 0.000 1.139 444 A CA -0.866 51.356 52.037 0.309 0.000 0.830 444 A CB 0.417 19.670 19.000 0.421 0.000 1.234 444 A HN 0.768 nan 8.150 nan 0.000 0.483 445 N N -0.133 118.777 118.700 0.350 0.000 2.395 445 N HA 0.298 5.038 4.740 0.000 0.000 0.246 445 N C 1.345 177.057 175.510 0.338 0.000 1.246 445 N CA 1.801 55.012 53.050 0.268 0.000 0.879 445 N CB 0.793 39.423 38.487 0.239 0.000 1.098 445 N HN 1.339 nan 8.380 nan 0.000 0.444 446 G N 0.252 109.117 108.800 0.107 0.000 2.417 446 G HA2 -0.220 3.740 3.960 0.000 0.000 0.233 446 G HA3 -0.220 3.740 3.960 0.000 0.000 0.233 446 G C 0.528 175.378 174.900 -0.084 0.000 1.103 446 G CA 0.438 45.574 45.100 0.060 0.000 0.647 446 G HN 1.518 nan 8.290 nan 0.000 0.512 447 G N -1.150 107.627 108.800 -0.037 0.000 2.629 447 G HA2 0.169 4.129 3.960 0.000 0.000 0.154 447 G HA3 0.169 4.129 3.960 0.000 0.000 0.154 447 G C -0.225 174.462 174.900 -0.355 0.000 1.077 447 G CA 0.058 45.041 45.100 -0.194 0.000 0.831 447 G HN 1.173 nan 8.290 nan 0.000 0.495 448 F N 0.008 120.009 119.950 0.086 0.000 2.402 448 F HA 0.600 5.127 4.527 0.000 0.000 0.355 448 F C 0.520 176.315 175.800 -0.007 0.000 1.123 448 F CA -1.192 56.852 58.000 0.073 0.000 1.021 448 F CB 1.739 40.844 39.000 0.175 0.000 1.160 448 F HN 0.151 nan 8.300 nan 0.000 0.451 449 L N 5.615 126.930 121.223 0.153 0.000 2.418 449 L HA 0.367 4.707 4.340 0.000 0.000 0.274 449 L C -0.484 176.466 176.870 0.134 0.000 1.135 449 L CA 0.234 55.128 54.840 0.091 0.000 0.870 449 L CB -0.095 42.005 42.059 0.068 0.000 1.154 449 L HN 0.406 nan 8.230 nan 0.000 0.462 450 I N 5.440 126.020 120.570 0.017 0.000 2.389 450 I HA 0.492 4.662 4.170 0.000 0.000 0.288 450 I C -0.025 176.089 176.117 -0.006 0.000 0.999 450 I CA -0.654 60.573 61.300 -0.122 0.000 1.129 450 I CB 1.620 39.291 38.000 -0.548 0.000 1.288 450 I HN 0.712 nan 8.210 nan 0.000 0.444 451 A N 6.548 129.401 122.820 0.054 0.000 2.290 451 A HA 0.641 4.961 4.320 0.000 0.000 0.310 451 A C -1.454 176.083 177.584 -0.078 0.000 1.202 451 A CA -0.216 51.762 52.037 -0.098 0.000 0.837 451 A CB 0.615 19.659 19.000 0.073 0.000 1.139 451 A HN 0.645 nan 8.150 nan 0.000 0.509 452 Y N 1.002 121.139 120.300 -0.272 0.000 2.512 452 Y HA 0.564 5.114 4.550 0.000 0.000 0.348 452 Y C -0.399 175.429 175.900 -0.120 0.000 0.990 452 Y CA -0.629 57.405 58.100 -0.109 0.000 1.033 452 Y CB 2.397 40.904 38.460 0.078 0.000 1.259 452 Y HN 0.608 nan 8.280 nan 0.000 0.461 453 Q N 7.176 126.639 119.800 -0.562 0.000 2.771 453 Q HA 0.479 4.819 4.340 0.000 0.000 0.247 453 Q C -2.919 172.804 176.000 -0.461 0.000 0.986 453 Q CA -2.690 52.886 55.803 -0.378 0.000 0.713 453 Q CB 1.267 29.828 28.738 -0.296 0.000 1.241 453 Q HN 0.290 nan 8.270 nan 0.000 0.488 454 P HA 0.030 nan 4.420 nan 0.000 0.267 454 P C -0.876 176.409 177.300 -0.025 0.000 1.195 454 P CA 0.469 63.577 63.100 0.013 0.000 0.773 454 P CB 0.559 32.367 31.700 0.180 0.000 0.837 455 L N 1.489 122.744 121.223 0.054 0.000 2.409 455 L HA 0.588 4.928 4.340 0.000 0.000 0.255 455 L C -0.648 176.339 176.870 0.196 0.000 1.027 455 L CA -0.805 54.095 54.840 0.100 0.000 0.834 455 L CB 1.706 43.796 42.059 0.051 0.000 1.426 455 L HN 0.163 nan 8.230 nan 0.000 0.411 456 L N 0.381 121.738 121.223 0.224 0.000 2.445 456 L HA 0.454 4.794 4.340 0.000 0.000 0.262 456 L C -0.337 176.586 176.870 0.089 0.000 0.974 456 L CA -0.407 54.540 54.840 0.178 0.000 0.822 456 L CB 2.303 44.419 42.059 0.094 0.000 1.339 456 L HN 0.590 nan 8.230 nan 0.000 0.409 457 S N 0.557 116.195 115.700 -0.104 0.000 2.593 457 S HA 0.143 4.613 4.470 0.000 0.000 0.269 457 S C 1.101 175.570 174.600 -0.218 0.000 1.334 457 S CA -0.457 57.443 58.200 -0.499 0.000 1.015 457 S CB 0.610 63.536 63.200 -0.457 0.000 0.912 457 S HN 0.685 nan 8.310 nan 0.000 0.541 458 N N 1.971 120.540 118.700 -0.219 0.000 2.430 458 N HA -0.090 4.650 4.740 0.000 0.000 0.186 458 N C 1.527 177.000 175.510 -0.062 0.000 1.032 458 N CA 1.245 54.236 53.050 -0.099 0.000 0.893 458 N CB -0.865 37.573 38.487 -0.083 0.000 0.957 458 N HN 0.572 nan 8.380 nan 0.000 0.442 459 T N 1.435 115.943 114.554 -0.078 0.000 2.588 459 T HA -0.011 4.340 4.350 0.000 0.000 0.261 459 T C 1.568 176.262 174.700 -0.009 0.000 1.069 459 T CA 0.693 62.770 62.100 -0.038 0.000 1.172 459 T CB -0.279 68.566 68.868 -0.038 0.000 0.863 459 T HN 0.168 nan 8.240 nan 0.000 0.408 460 L N 1.612 122.835 121.223 0.000 0.000 2.801 460 L HA 0.251 4.591 4.340 0.000 0.000 0.250 460 L C 2.292 179.192 176.870 0.050 0.000 1.222 460 L CA -0.458 54.401 54.840 0.031 0.000 1.054 460 L CB -0.652 41.435 42.059 0.046 0.000 1.330 460 L HN 0.247 nan 8.230 nan 0.000 0.426 461 A N 0.447 123.290 122.820 0.038 0.000 2.032 461 A HA -0.275 4.045 4.320 0.000 0.000 0.221 461 A C 2.358 180.005 177.584 0.105 0.000 1.165 461 A CA 2.066 54.140 52.037 0.062 0.000 0.645 461 A CB -0.357 18.670 19.000 0.044 0.000 0.807 461 A HN 0.572 nan 8.150 nan 0.000 0.453 462 E N -1.364 118.884 120.200 0.080 0.000 2.516 462 E HA 0.305 4.655 4.350 0.000 0.000 0.199 462 E C 1.595 178.252 176.600 0.095 0.000 1.069 462 E CA 1.268 57.716 56.400 0.079 0.000 0.876 462 E CB -1.265 28.466 29.700 0.052 0.000 0.843 462 E HN 1.320 nan 8.360 nan 0.000 0.530 463 L N -1.655 119.640 121.223 0.120 0.000 2.616 463 L HA 0.413 4.753 4.340 0.000 0.000 0.229 463 L C 2.366 179.359 176.870 0.205 0.000 1.110 463 L CA 0.707 55.624 54.840 0.129 0.000 0.884 463 L CB -1.139 40.985 42.059 0.108 0.000 1.115 463 L HN 0.540 nan 8.230 nan 0.000 0.481 464 Y N 1.435 121.778 120.300 0.071 0.000 2.030 464 Y HA -0.376 4.174 4.550 0.000 0.000 0.272 464 Y C 2.490 178.453 175.900 0.106 0.000 1.185 464 Y CA 2.408 60.566 58.100 0.096 0.000 1.120 464 Y CB -0.902 37.606 38.460 0.081 0.000 0.955 464 Y HN 0.263 nan 8.280 nan 0.000 0.495 465 V N 1.392 121.298 119.914 -0.012 0.000 2.233 465 V HA -0.384 3.736 4.120 0.000 0.000 0.252 465 V C 2.621 178.706 176.094 -0.014 0.000 1.063 465 V CA 3.658 65.864 62.300 -0.157 0.000 1.032 465 V CB -1.036 30.729 31.823 -0.097 0.000 0.645 465 V HN 0.444 nan 8.190 nan 0.000 0.446 466 R N -0.895 119.637 120.500 0.052 0.000 2.082 466 R HA -0.188 4.152 4.340 0.000 0.000 0.234 466 R C 2.359 178.728 176.300 0.115 0.000 1.136 466 R CA 1.879 58.021 56.100 0.071 0.000 0.935 466 R CB -0.273 30.066 30.300 0.066 0.000 0.842 466 R HN 0.725 nan 8.270 nan 0.000 0.430 467 E N -0.334 119.960 120.200 0.158 0.000 2.204 467 E HA -0.211 4.139 4.350 0.000 0.000 0.195 467 E C 1.751 178.473 176.600 0.204 0.000 0.990 467 E CA 1.143 57.649 56.400 0.176 0.000 0.821 467 E CB -0.391 29.424 29.700 0.192 0.000 0.750 467 E HN 0.575 nan 8.360 nan 0.000 0.477 468 H N 0.588 119.748 119.070 0.150 0.000 2.352 468 H HA -0.045 4.511 4.556 0.000 0.000 0.299 468 H C 2.156 177.534 175.328 0.083 0.000 1.097 468 H CA 1.520 57.651 56.048 0.139 0.000 1.311 468 H CB -0.045 29.714 29.762 -0.004 0.000 1.377 468 H HN 0.048 nan 8.280 nan 0.000 0.504 469 L N -0.497 120.851 121.223 0.209 0.000 2.083 469 L HA -0.165 4.175 4.340 0.000 0.000 0.209 469 L C 3.094 180.025 176.870 0.102 0.000 1.083 469 L CA 1.399 56.323 54.840 0.140 0.000 0.752 469 L CB -0.635 41.484 42.059 0.100 0.000 0.899 469 L HN 0.392 nan 8.230 nan 0.000 0.433 470 R N 0.140 120.704 120.500 0.107 0.000 2.241 470 R HA -0.130 4.210 4.340 0.000 0.000 0.224 470 R C 1.820 178.189 176.300 0.115 0.000 1.101 470 R CA 1.337 57.504 56.100 0.112 0.000 0.995 470 R CB -0.900 29.472 30.300 0.119 0.000 0.870 470 R HN 0.422 nan 8.270 nan 0.000 0.463 471 E N 0.532 120.777 120.200 0.074 0.000 2.170 471 E HA -0.097 4.254 4.350 0.000 0.000 0.191 471 E C 1.968 178.594 176.600 0.042 0.000 0.981 471 E CA 1.061 57.492 56.400 0.051 0.000 0.830 471 E CB 0.057 29.734 29.700 -0.039 0.000 0.775 471 E HN 0.791 nan 8.360 nan 0.000 0.470 472 Q N 0.373 120.190 119.800 0.027 0.000 2.269 472 Q HA 0.044 4.384 4.340 0.000 0.000 0.201 472 Q C 2.094 178.136 176.000 0.069 0.000 0.946 472 Q CA 0.785 56.613 55.803 0.041 0.000 0.877 472 Q CB -0.004 28.767 28.738 0.055 0.000 0.963 472 Q HN 0.030 nan 8.270 nan 0.000 0.472 473 S N 0.451 116.204 115.700 0.087 0.000 2.507 473 S HA -0.146 4.324 4.470 0.000 0.000 0.235 473 S C 2.130 176.806 174.600 0.126 0.000 0.988 473 S CA 1.092 59.351 58.200 0.097 0.000 0.944 473 S CB -0.147 63.113 63.200 0.100 0.000 0.762 473 S HN 0.460 nan 8.310 nan 0.000 0.526 474 R N 1.200 121.790 120.500 0.149 0.000 2.096 474 R HA 0.101 4.441 4.340 0.000 0.000 0.235 474 R C 1.389 177.777 176.300 0.147 0.000 1.127 474 R CA 1.389 57.617 56.100 0.213 0.000 0.968 474 R CB -0.935 29.523 30.300 0.262 0.000 0.861 474 R HN 0.565 nan 8.270 nan 0.000 0.440 493 E N 4.204 124.414 120.200 0.016 0.000 2.518 493 E HA 0.847 5.197 4.350 0.000 0.000 0.241 493 E C -0.381 176.212 176.600 -0.012 0.000 0.899 493 E CA -1.257 55.148 56.400 0.008 0.000 0.888 493 E CB 2.482 32.191 29.700 0.015 0.000 1.426 493 E HN 0.441 nan 8.360 nan 0.000 0.401 494 R N 0.113 120.582 120.500 -0.053 0.000 2.725 494 R HA 0.486 4.826 4.340 0.000 0.000 0.277 494 R C -1.276 174.973 176.300 -0.085 0.000 0.987 494 R CA -0.657 55.386 56.100 -0.095 0.000 0.901 494 R CB 1.546 31.716 30.300 -0.217 0.000 1.207 494 R HN 0.607 nan 8.270 nan 0.000 0.463 495 I N 3.185 123.698 120.570 -0.094 0.000 2.428 495 I HA 0.294 4.464 4.170 0.000 0.000 0.296 495 I C -0.187 175.851 176.117 -0.131 0.000 0.985 495 I CA -0.713 60.522 61.300 -0.108 0.000 1.260 495 I CB 1.796 39.714 38.000 -0.138 0.000 1.389 495 I HN 0.423 nan 8.210 nan 0.000 0.484 496 K N 4.553 124.875 120.400 -0.130 0.000 2.240 496 K HA 0.483 4.803 4.320 0.000 0.000 0.271 496 K C -0.772 175.713 176.600 -0.192 0.000 1.018 496 K CA -0.521 55.681 56.287 -0.142 0.000 0.874 496 K CB 1.557 33.991 32.500 -0.110 0.000 1.098 496 K HN 0.485 nan 8.250 nan 0.000 0.458 497 T N 1.050 115.461 114.554 -0.238 0.000 2.888 497 T HA 0.183 4.534 4.350 0.000 0.000 0.284 497 T C -0.075 174.460 174.700 -0.275 0.000 1.017 497 T CA -0.576 61.296 62.100 -0.379 0.000 1.022 497 T CB 1.775 70.309 68.868 -0.556 0.000 1.013 497 T HN 0.499 nan 8.240 nan 0.000 0.465 498 T N 0.542 114.945 114.554 -0.251 0.000 2.882 498 T HA 0.223 4.573 4.350 0.000 0.000 0.287 498 T C 1.279 175.969 174.700 -0.017 0.000 1.014 498 T CA -0.534 61.516 62.100 -0.082 0.000 1.049 498 T CB 0.546 69.419 68.868 0.010 0.000 1.001 498 T HN 0.452 nan 8.240 nan 0.000 0.525 499 S N 1.866 117.571 115.700 0.008 0.000 2.496 499 S HA 0.118 4.588 4.470 0.000 0.000 0.224 499 S C 0.886 175.534 174.600 0.081 0.000 0.996 499 S CA -0.046 58.165 58.200 0.019 0.000 0.927 499 S CB 0.114 63.313 63.200 -0.001 0.000 0.774 499 S HN 0.678 nan 8.310 nan 0.000 0.524 500 S N 1.199 116.980 115.700 0.134 0.000 2.422 500 S HA 0.428 4.898 4.470 0.000 0.000 0.298 500 S C -0.076 174.694 174.600 0.283 0.000 1.118 500 S CA -0.588 57.713 58.200 0.168 0.000 1.083 500 S CB 0.495 63.783 63.200 0.147 0.000 0.971 500 S HN 0.204 nan 8.310 nan 0.000 0.478 501 I N 5.030 125.698 120.570 0.164 0.000 3.856 501 I HA 0.362 4.532 4.170 0.000 0.000 0.333 501 I C 1.080 177.134 176.117 -0.104 0.000 1.525 501 I CA 0.104 61.425 61.300 0.034 0.000 1.173 501 I CB -0.095 37.901 38.000 -0.008 0.000 1.175 501 I HN 0.620 nan 8.210 nan 0.000 0.424 502 E N 0.495 120.710 120.200 0.025 0.000 2.122 502 E HA -0.146 4.204 4.350 0.000 0.000 0.190 502 E C 1.963 178.532 176.600 -0.052 0.000 0.977 502 E CA 1.139 57.529 56.400 -0.017 0.000 0.820 502 E CB -0.641 29.083 29.700 0.040 0.000 0.770 502 E HN 0.641 nan 8.360 nan 0.000 0.462 503 F N 1.327 121.271 119.950 -0.010 0.000 2.192 503 F HA -0.080 4.447 4.527 0.000 0.000 0.301 503 F C 2.161 177.946 175.800 -0.024 0.000 1.079 503 F CA 1.217 59.208 58.000 -0.015 0.000 1.303 503 F CB -0.610 38.392 39.000 0.003 0.000 1.024 503 F HN -0.031 nan 8.300 nan 0.000 0.494 504 A N 1.356 123.471 122.820 -1.176 0.000 1.898 504 A HA -0.028 4.292 4.320 0.000 0.000 0.214 504 A C 2.347 179.695 177.584 -0.392 0.000 1.183 504 A CA 1.091 52.590 52.037 -0.896 0.000 0.622 504 A CB -0.643 17.652 19.000 -1.175 0.000 0.824 504 A HN 0.467 nan 8.150 nan 0.000 0.444 505 R N -0.336 119.973 120.500 -0.318 0.000 2.148 505 R HA 0.054 4.395 4.340 0.000 0.000 0.227 505 R C 1.867 178.166 176.300 -0.002 0.000 1.103 505 R CA 0.970 56.981 56.100 -0.148 0.000 0.983 505 R CB -0.463 29.740 30.300 -0.162 0.000 0.874 505 R HN 0.465 nan 8.270 nan 0.000 0.451 506 L N 0.465 121.669 121.223 -0.031 0.000 2.027 506 L HA -0.189 4.151 4.340 0.000 0.000 0.206 506 L C 2.696 179.610 176.870 0.073 0.000 1.074 506 L CA 1.196 56.053 54.840 0.028 0.000 0.745 506 L CB -0.426 41.638 42.059 0.007 0.000 0.898 506 L HN 0.106 nan 8.230 nan 0.000 0.433 507 Q N 0.176 119.991 119.800 0.025 0.000 2.077 507 Q HA -0.281 4.059 4.340 0.000 0.000 0.206 507 Q C 2.023 178.077 176.000 0.090 0.000 0.989 507 Q CA 2.163 57.996 55.803 0.049 0.000 0.853 507 Q CB -0.557 28.181 28.738 0.001 0.000 0.907 507 Q HN 0.430 nan 8.270 nan 0.000 0.418 508 F N -0.042 119.863 119.950 -0.076 0.000 2.075 508 F HA -0.201 4.326 4.527 0.000 0.000 0.297 508 F C 1.985 177.790 175.800 0.007 0.000 1.113 508 F CA 2.165 60.128 58.000 -0.062 0.000 1.218 508 F CB -0.683 38.236 39.000 -0.134 0.000 0.984 508 F HN 0.072 nan 8.300 nan 0.000 0.472 509 T N -0.273 114.444 114.554 0.271 0.000 2.746 509 T HA -0.268 4.083 4.350 0.000 0.000 0.267 509 T C 1.557 176.298 174.700 0.069 0.000 1.039 509 T CA 1.795 64.001 62.100 0.176 0.000 1.142 509 T CB -0.890 68.098 68.868 0.200 0.000 0.866 509 T HN 0.538 nan 8.240 nan 0.000 0.444 510 Y N 2.708 122.997 120.300 -0.019 0.000 2.114 510 Y HA -0.224 4.327 4.550 0.000 0.000 0.284 510 Y C 2.290 178.148 175.900 -0.070 0.000 1.143 510 Y CA 1.538 59.618 58.100 -0.032 0.000 1.135 510 Y CB -0.425 38.020 38.460 -0.025 0.000 0.980 510 Y HN 0.086 nan 8.280 nan 0.000 0.499 511 N N -0.337 118.363 118.700 0.001 0.000 2.036 511 N HA -0.265 4.475 4.740 0.000 0.000 0.195 511 N C 1.797 177.168 175.510 -0.231 0.000 1.037 511 N CA 1.919 54.889 53.050 -0.133 0.000 0.855 511 N CB -1.101 37.318 38.487 -0.113 0.000 1.033 511 N HN 0.558 nan 8.380 nan 0.000 0.423 512 H N 0.307 119.133 119.070 -0.407 0.000 2.394 512 H HA -0.012 4.544 4.556 0.000 0.000 0.297 512 H C 1.810 176.996 175.328 -0.236 0.000 1.113 512 H CA 1.693 57.501 56.048 -0.400 0.000 1.277 512 H CB -0.176 29.238 29.762 -0.581 0.000 1.370 512 H HN 0.260 nan 8.280 nan 0.000 0.506 513 I N -0.427 119.990 120.570 -0.256 0.000 2.585 513 I HA -0.142 4.029 4.170 0.000 0.000 0.254 513 I C 2.518 178.471 176.117 -0.273 0.000 1.129 513 I CA 0.825 61.972 61.300 -0.254 0.000 1.455 513 I CB -0.402 37.494 38.000 -0.174 0.000 1.111 513 I HN 0.348 nan 8.210 nan 0.000 0.433 514 Q N 1.679 121.235 119.800 -0.406 0.000 2.197 514 Q HA -0.272 4.068 4.340 0.000 0.000 0.207 514 Q C 2.314 178.192 176.000 -0.204 0.000 0.984 514 Q CA 1.746 57.311 55.803 -0.396 0.000 0.869 514 Q CB 0.023 28.460 28.738 -0.502 0.000 0.906 514 Q HN 0.401 nan 8.270 nan 0.000 0.426 515 R N -1.174 119.220 120.500 -0.177 0.000 2.052 515 R HA -0.152 4.188 4.340 0.000 0.000 0.224 515 R C 2.290 178.536 176.300 -0.091 0.000 1.149 515 R CA 1.418 57.453 56.100 -0.108 0.000 0.962 515 R CB -0.432 29.815 30.300 -0.088 0.000 0.856 515 R HN 0.422 nan 8.270 nan 0.000 0.433 516 H N 0.210 119.154 119.070 -0.209 0.000 2.265 516 H HA -0.158 4.398 4.556 0.000 0.000 0.293 516 H C 1.961 177.216 175.328 -0.122 0.000 1.089 516 H CA 2.730 58.675 56.048 -0.171 0.000 1.244 516 H CB -0.319 29.313 29.762 -0.217 0.000 1.355 516 H HN 0.034 nan 8.280 nan 0.000 0.485 517 V N 0.946 120.886 119.914 0.043 0.000 2.282 517 V HA -0.346 3.775 4.120 0.000 0.000 0.249 517 V C 2.119 178.166 176.094 -0.079 0.000 1.057 517 V CA 2.303 64.599 62.300 -0.007 0.000 1.032 517 V CB -0.530 31.279 31.823 -0.024 0.000 0.645 517 V HN 0.596 nan 8.190 nan 0.000 0.447 518 N N -0.418 118.231 118.700 -0.084 0.000 2.270 518 N HA -0.128 4.612 4.740 0.000 0.000 0.181 518 N C 1.596 177.054 175.510 -0.088 0.000 1.016 518 N CA 1.315 54.320 53.050 -0.075 0.000 0.870 518 N CB -0.434 38.017 38.487 -0.060 0.000 0.979 518 N HN 0.541 nan 8.380 nan 0.000 0.431 519 D N 0.423 120.751 120.400 -0.121 0.000 2.078 519 D HA -0.083 4.558 4.640 0.000 0.000 0.193 519 D C 1.859 178.066 176.300 -0.155 0.000 0.990 519 D CA 1.035 54.955 54.000 -0.132 0.000 0.827 519 D CB 0.061 40.763 40.800 -0.163 0.000 0.975 519 D HN -0.040 nan 8.370 nan 0.000 0.451 520 M N 0.082 119.536 119.600 -0.244 0.000 2.067 520 M HA -0.079 4.401 4.480 0.000 0.000 0.260 520 M C 2.586 178.820 176.300 -0.110 0.000 1.069 520 M CA 0.965 56.143 55.300 -0.204 0.000 1.117 520 M CB -1.270 31.158 32.600 -0.286 0.000 1.334 520 M HN 0.138 nan 8.290 nan 0.000 0.407 521 L N -0.515 120.651 121.223 -0.096 0.000 2.131 521 L HA -0.135 4.205 4.340 0.000 0.000 0.210 521 L C 2.587 179.424 176.870 -0.055 0.000 1.092 521 L CA 1.200 56.001 54.840 -0.066 0.000 0.759 521 L CB -1.242 40.780 42.059 -0.062 0.000 0.903 521 L HN 0.408 nan 8.230 nan 0.000 0.435 522 G N -0.083 108.683 108.800 -0.057 0.000 2.421 522 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 522 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 522 G C 1.704 176.588 174.900 -0.027 0.000 1.171 522 G CA 0.382 45.459 45.100 -0.040 0.000 0.775 522 G HN 0.278 nan 8.290 nan 0.000 0.543 523 R N -0.136 120.342 120.500 -0.036 0.000 2.083 523 R HA -0.060 4.280 4.340 0.000 0.000 0.237 523 R C 2.660 178.963 176.300 0.004 0.000 1.137 523 R CA 1.269 57.356 56.100 -0.021 0.000 0.951 523 R CB -0.815 29.462 30.300 -0.038 0.000 0.851 523 R HN 0.282 nan 8.270 nan 0.000 0.434 524 V N 1.415 121.329 119.914 0.000 0.000 2.252 524 V HA -0.326 3.795 4.120 0.000 0.000 0.249 524 V C 2.563 178.702 176.094 0.075 0.000 1.056 524 V CA 2.094 64.415 62.300 0.035 0.000 1.022 524 V CB -0.937 30.890 31.823 0.007 0.000 0.641 524 V HN 0.471 nan 8.190 nan 0.000 0.445 525 A N -0.232 122.607 122.820 0.032 0.000 1.927 525 A HA -0.265 4.055 4.320 0.000 0.000 0.220 525 A C 2.157 179.815 177.584 0.123 0.000 1.185 525 A CA 2.499 54.565 52.037 0.049 0.000 0.639 525 A CB -0.644 18.356 19.000 0.000 0.000 0.820 525 A HN 0.574 nan 8.150 nan 0.000 0.451 526 I N -0.689 119.929 120.570 0.079 0.000 2.233 526 I HA -0.207 3.963 4.170 0.000 0.000 0.243 526 I C 2.950 179.118 176.117 0.085 0.000 1.093 526 I CA 0.927 62.269 61.300 0.071 0.000 1.380 526 I CB -0.484 37.535 38.000 0.031 0.000 1.067 526 I HN 0.346 nan 8.210 nan 0.000 0.413 527 A N 0.830 123.701 122.820 0.085 0.000 2.024 527 A HA -0.257 4.063 4.320 0.000 0.000 0.220 527 A C 2.225 179.873 177.584 0.107 0.000 1.164 527 A CA 1.343 53.422 52.037 0.070 0.000 0.643 527 A CB -0.985 18.057 19.000 0.070 0.000 0.806 527 A HN 0.718 nan 8.150 nan 0.000 0.451 528 W N -0.160 121.134 121.300 -0.010 0.000 2.418 528 W HA -0.219 4.441 4.660 0.000 0.000 0.319 528 W C 2.604 179.125 176.519 0.003 0.000 1.183 528 W CA 1.650 58.995 57.345 -0.001 0.000 1.327 528 W CB -0.855 28.602 29.460 -0.006 0.000 1.163 528 W HN 0.443 nan 8.180 nan 0.000 0.479 529 c N 2.004 120.747 118.600 0.238 0.000 2.375 529 c HA -0.267 4.303 4.570 0.000 0.000 0.274 529 c C 2.452 176.542 174.090 -0.000 0.000 1.190 529 c CA 2.305 58.702 56.329 0.113 0.000 1.775 529 c CB -1.246 41.331 42.510 0.112 0.000 2.067 529 c HN 0.468 nan 8.230 nan 0.000 0.463 530 E N -0.234 119.963 120.200 -0.004 0.000 2.110 530 E HA -0.217 4.133 4.350 0.000 0.000 0.193 530 E C 1.963 178.528 176.600 -0.057 0.000 0.988 530 E CA 1.385 57.764 56.400 -0.035 0.000 0.804 530 E CB -0.318 29.351 29.700 -0.053 0.000 0.745 530 E HN 0.660 nan 8.360 nan 0.000 0.458 531 L N 1.211 122.361 121.223 -0.122 0.000 2.005 531 L HA -0.204 4.136 4.340 0.000 0.000 0.207 531 L C 2.136 178.912 176.870 -0.155 0.000 1.072 531 L CA 1.765 56.513 54.840 -0.153 0.000 0.744 531 L CB -0.448 41.422 42.059 -0.316 0.000 0.895 531 L HN -0.010 nan 8.230 nan 0.000 0.433 532 Q N 0.097 119.718 119.800 -0.298 0.000 2.077 532 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 532 Q C 2.052 178.007 176.000 -0.074 0.000 0.989 532 Q CA 1.875 57.548 55.803 -0.217 0.000 0.853 532 Q CB -1.002 27.605 28.738 -0.217 0.000 0.907 532 Q HN 0.604 nan 8.270 nan 0.000 0.418 533 N N 0.192 118.872 118.700 -0.033 0.000 2.120 533 N HA -0.160 4.580 4.740 0.000 0.000 0.188 533 N C 1.731 177.282 175.510 0.069 0.000 1.024 533 N CA 1.293 54.354 53.050 0.017 0.000 0.852 533 N CB -0.666 37.838 38.487 0.027 0.000 1.003 533 N HN 0.387 nan 8.380 nan 0.000 0.424 534 H N 1.293 120.337 119.070 -0.044 0.000 2.421 534 H HA 0.020 4.576 4.556 0.000 0.000 0.298 534 H C 1.515 176.836 175.328 -0.011 0.000 1.087 534 H CA 1.282 57.312 56.048 -0.029 0.000 1.330 534 H CB 0.190 29.923 29.762 -0.048 0.000 1.388 534 H HN 0.165 nan 8.280 nan 0.000 0.526 535 E N -0.015 120.198 120.200 0.021 0.000 2.152 535 E HA -0.122 4.228 4.350 0.000 0.000 0.192 535 E C 2.352 179.025 176.600 0.121 0.000 0.983 535 E CA 0.537 56.956 56.400 0.032 0.000 0.818 535 E CB -0.465 29.291 29.700 0.093 0.000 0.758 535 E HN 0.368 nan 8.360 nan 0.000 0.467 536 L N 1.653 122.931 121.223 0.091 0.000 2.064 536 L HA -0.245 4.095 4.340 0.000 0.000 0.216 536 L C 2.122 179.073 176.870 0.135 0.000 1.077 536 L CA 2.084 56.988 54.840 0.108 0.000 0.766 536 L CB -1.162 40.927 42.059 0.050 0.000 0.890 536 L HN 0.055 nan 8.230 nan 0.000 0.435 537 T N 0.097 114.676 114.554 0.042 0.000 2.653 537 T HA -0.270 4.080 4.350 0.000 0.000 0.268 537 T C 1.894 176.605 174.700 0.017 0.000 1.035 537 T CA 2.201 64.305 62.100 0.007 0.000 1.154 537 T CB -0.430 68.381 68.868 -0.095 0.000 0.862 537 T HN 0.382 nan 8.240 nan 0.000 0.441 538 L N -1.342 119.863 121.223 -0.029 0.000 2.005 538 L HA -0.060 4.280 4.340 0.000 0.000 0.207 538 L C 2.558 179.399 176.870 -0.047 0.000 1.072 538 L CA 1.551 56.334 54.840 -0.096 0.000 0.744 538 L CB -0.767 41.163 42.059 -0.215 0.000 0.895 538 L HN 0.349 nan 8.230 nan 0.000 0.433 539 W N 0.914 122.208 121.300 -0.010 0.000 2.321 539 W HA -0.223 4.437 4.660 0.000 0.000 0.306 539 W C 2.586 179.245 176.519 0.233 0.000 1.217 539 W CA 1.164 58.537 57.345 0.047 0.000 1.257 539 W CB -0.641 28.740 29.460 -0.131 0.000 1.145 539 W HN 0.213 nan 8.180 nan 0.000 0.509 540 N N 0.194 119.159 118.700 0.441 0.000 2.043 540 N HA -0.185 4.555 4.740 0.000 0.000 0.193 540 N C 1.552 177.164 175.510 0.169 0.000 1.037 540 N CA 1.774 55.025 53.050 0.334 0.000 0.851 540 N CB -0.737 37.886 38.487 0.225 0.000 1.027 540 N HN 0.130 nan 8.380 nan 0.000 0.422 541 E N 0.657 120.916 120.200 0.098 0.000 2.072 541 E HA -0.041 4.310 4.350 0.000 0.000 0.191 541 E C 1.922 178.543 176.600 0.035 0.000 0.985 541 E CA 0.931 57.355 56.400 0.039 0.000 0.801 541 E CB -0.457 29.241 29.700 -0.002 0.000 0.750 541 E HN 0.357 nan 8.360 nan 0.000 0.452 542 A N 2.166 125.003 122.820 0.028 0.000 1.972 542 A HA -0.232 4.088 4.320 0.000 0.000 0.219 542 A C 2.201 179.831 177.584 0.076 0.000 1.169 542 A CA 1.915 53.953 52.037 0.002 0.000 0.635 542 A CB -0.588 18.344 19.000 -0.112 0.000 0.810 542 A HN 0.316 nan 8.150 nan 0.000 0.446 543 R N -0.029 120.568 120.500 0.161 0.000 2.081 543 R HA -0.104 4.236 4.340 0.000 0.000 0.235 543 R C 1.888 178.225 176.300 0.063 0.000 1.131 543 R CA 1.650 57.843 56.100 0.155 0.000 0.960 543 R CB -0.491 29.907 30.300 0.164 0.000 0.856 543 R HN 0.404 nan 8.270 nan 0.000 0.436 544 K N 0.924 121.347 120.400 0.038 0.000 2.032 544 K HA -0.111 4.209 4.320 0.000 0.000 0.209 544 K C 2.255 178.867 176.600 0.020 0.000 1.048 544 K CA 1.890 58.186 56.287 0.016 0.000 0.927 544 K CB -0.331 32.174 32.500 0.009 0.000 0.712 544 K HN 0.180 nan 8.250 nan 0.000 0.441 545 L N 0.639 121.875 121.223 0.022 0.000 1.955 545 L HA -0.183 4.157 4.340 0.000 0.000 0.213 545 L C 1.275 178.160 176.870 0.025 0.000 1.072 545 L CA 0.969 55.819 54.840 0.017 0.000 0.755 545 L CB -0.310 41.753 42.059 0.006 0.000 0.888 545 L HN 0.222 nan 8.230 nan 0.000 0.432 546 N N -0.925 117.796 118.700 0.034 0.000 2.841 546 N HA 0.175 4.915 4.740 0.000 0.000 0.257 546 N C -2.142 173.406 175.510 0.063 0.000 1.396 546 N CA -1.881 51.194 53.050 0.043 0.000 0.823 546 N CB 1.076 39.585 38.487 0.037 0.000 1.162 546 N HN -0.172 nan 8.380 nan 0.000 0.503 547 P HA -0.069 nan 4.420 nan 0.000 0.214 547 P C 0.904 178.245 177.300 0.069 0.000 1.163 547 P CA 1.216 64.354 63.100 0.063 0.000 0.889 547 P CB 0.395 32.115 31.700 0.033 0.000 0.790 548 N N -0.837 117.894 118.700 0.051 0.000 2.192 548 N HA -0.168 4.572 4.740 0.000 0.000 0.188 548 N C 1.570 177.110 175.510 0.050 0.000 1.013 548 N CA 1.730 54.806 53.050 0.043 0.000 0.863 548 N CB -0.922 37.586 38.487 0.036 0.000 0.990 548 N HN 0.137 nan 8.380 nan 0.000 0.430 549 A N 0.197 123.057 122.820 0.068 0.000 1.850 549 A HA 0.089 4.409 4.320 0.000 0.000 0.212 549 A C 2.102 179.770 177.584 0.141 0.000 1.208 549 A CA 0.568 52.653 52.037 0.081 0.000 0.609 549 A CB -0.568 18.473 19.000 0.068 0.000 0.860 549 A HN 0.066 nan 8.150 nan 0.000 0.448 550 I N 0.733 121.417 120.570 0.189 0.000 2.163 550 I HA -0.263 3.907 4.170 0.000 0.000 0.243 550 I C 2.887 179.194 176.117 0.316 0.000 1.085 550 I CA 1.412 62.923 61.300 0.351 0.000 1.347 550 I CB -0.680 37.553 38.000 0.388 0.000 1.044 550 I HN 0.341 nan 8.210 nan 0.000 0.408 551 A N -0.471 122.478 122.820 0.215 0.000 1.851 551 A HA -0.249 4.071 4.320 0.000 0.000 0.216 551 A C 2.481 180.124 177.584 0.098 0.000 1.195 551 A CA 2.441 54.576 52.037 0.163 0.000 0.622 551 A CB -1.242 17.816 19.000 0.096 0.000 0.831 551 A HN 0.409 nan 8.150 nan 0.000 0.444 552 S N -0.510 115.227 115.700 0.062 0.000 2.414 552 S HA -0.254 4.217 4.470 0.000 0.000 0.238 552 S C 1.891 176.497 174.600 0.009 0.000 1.055 552 S CA 1.825 60.032 58.200 0.013 0.000 1.174 552 S CB -1.017 62.174 63.200 -0.014 0.000 1.087 552 S HN 0.367 nan 8.310 nan 0.000 0.428 553 V N 1.507 121.445 119.914 0.040 0.000 2.277 553 V HA -0.312 3.808 4.120 0.000 0.000 0.255 553 V C 2.536 178.589 176.094 -0.069 0.000 1.074 553 V CA 2.521 64.831 62.300 0.017 0.000 1.058 553 V CB -1.418 30.473 31.823 0.112 0.000 0.656 553 V HN 0.597 nan 8.190 nan 0.000 0.449 554 T N -0.586 113.914 114.554 -0.090 0.000 2.777 554 T HA -0.122 4.229 4.350 0.000 0.000 0.266 554 T C 1.793 176.447 174.700 -0.077 0.000 1.040 554 T CA 1.607 63.610 62.100 -0.163 0.000 1.141 554 T CB -0.158 68.640 68.868 -0.116 0.000 0.868 554 T HN 0.345 nan 8.240 nan 0.000 0.444 555 V N 0.399 120.301 119.914 -0.021 0.000 2.667 555 V HA 0.181 4.301 4.120 0.000 0.000 0.252 555 V C 2.346 178.422 176.094 -0.030 0.000 1.065 555 V CA 1.330 63.622 62.300 -0.014 0.000 1.083 555 V CB -1.010 30.814 31.823 0.001 0.000 0.692 555 V HN 0.717 nan 8.190 nan 0.000 0.468 556 G N 1.038 109.815 108.800 -0.039 0.000 2.284 556 G HA2 -0.257 3.703 3.960 0.000 0.000 0.230 556 G HA3 -0.257 3.703 3.960 0.000 0.000 0.230 556 G C 0.443 175.318 174.900 -0.041 0.000 1.021 556 G CA 0.135 45.211 45.100 -0.040 0.000 0.619 556 G HN 0.689 nan 8.290 nan 0.000 0.510 557 R N -0.344 120.130 120.500 -0.043 0.000 2.787 557 R HA 0.843 5.183 4.340 0.000 0.000 0.271 557 R C -0.128 176.115 176.300 -0.095 0.000 0.993 557 R CA -1.103 54.959 56.100 -0.063 0.000 0.993 557 R CB 1.209 31.483 30.300 -0.042 0.000 1.155 557 R HN 0.117 nan 8.270 nan 0.000 0.486 558 R N 1.470 121.864 120.500 -0.176 0.000 2.316 558 R HA 0.244 4.584 4.340 0.000 0.000 0.314 558 R C -0.438 175.759 176.300 -0.171 0.000 1.069 558 R CA -0.065 55.883 56.100 -0.254 0.000 0.959 558 R CB 0.259 30.201 30.300 -0.595 0.000 0.987 558 R HN 0.673 nan 8.270 nan 0.000 0.446 559 V N 0.320 120.176 119.914 -0.097 0.000 3.080 559 V HA 0.811 4.931 4.120 0.000 0.000 0.311 559 V C -1.026 175.059 176.094 -0.014 0.000 1.389 559 V CA -0.403 61.873 62.300 -0.040 0.000 1.049 559 V CB 1.877 33.691 31.823 -0.016 0.000 1.078 559 V HN 0.825 nan 8.190 nan 0.000 0.468 560 S N -0.110 115.594 115.700 0.008 0.000 2.548 560 S HA 1.003 5.474 4.470 0.000 0.000 0.286 560 S C -0.480 174.131 174.600 0.018 0.000 1.098 560 S CA -0.088 58.123 58.200 0.018 0.000 0.930 560 S CB 1.507 64.724 63.200 0.028 0.000 1.070 560 S HN 2.508 nan 8.310 nan 0.000 0.480 561 A N 0.598 123.429 122.820 0.019 0.000 2.594 561 A HA 1.058 5.378 4.320 0.000 0.000 0.291 561 A C -0.301 177.287 177.584 0.006 0.000 1.105 561 A CA -0.661 51.383 52.037 0.010 0.000 0.694 561 A CB 1.168 20.173 19.000 0.009 0.000 1.291 561 A HN 1.826 nan 8.150 nan 0.000 0.410 562 R N 0.709 121.206 120.500 -0.004 0.000 2.740 562 R HA 0.774 5.114 4.340 0.000 0.000 0.273 562 R C -0.988 175.297 176.300 -0.024 0.000 0.998 562 R CA -0.681 55.415 56.100 -0.008 0.000 0.900 562 R CB 1.102 31.402 30.300 -0.001 0.000 1.223 562 R HN 0.769 nan 8.270 nan 0.000 0.466 563 M N 3.736 123.321 119.600 -0.025 0.000 2.261 563 M HA 0.297 4.777 4.480 0.000 0.000 0.349 563 M C -0.218 176.064 176.300 -0.030 0.000 1.305 563 M CA -0.341 54.936 55.300 -0.039 0.000 1.240 563 M CB 0.349 32.927 32.600 -0.037 0.000 1.394 563 M HN 0.576 nan 8.290 nan 0.000 0.438 564 L N 3.369 124.572 121.223 -0.033 0.000 2.821 564 L HA 0.211 4.551 4.340 0.000 0.000 0.239 564 L C 1.289 178.143 176.870 -0.026 0.000 1.391 564 L CA -0.113 54.712 54.840 -0.024 0.000 1.231 564 L CB -1.102 40.944 42.059 -0.022 0.000 1.598 564 L HN 1.049 nan 8.230 nan 0.000 0.428 565 G N 0.703 109.488 108.800 -0.026 0.000 3.597 565 G HA2 -0.265 3.695 3.960 0.000 0.000 0.256 565 G HA3 -0.265 3.695 3.960 0.000 0.000 0.256 565 G C 0.313 175.193 174.900 -0.034 0.000 1.792 565 G CA 0.107 45.192 45.100 -0.024 0.000 1.219 565 G HN 0.405 nan 8.290 nan 0.000 0.577 566 D N 0.702 121.079 120.400 -0.038 0.000 2.479 566 D HA 0.524 5.164 4.640 0.000 0.000 0.218 566 D C 0.329 176.584 176.300 -0.076 0.000 1.177 566 D CA 0.326 54.297 54.000 -0.048 0.000 0.830 566 D CB 1.751 42.532 40.800 -0.031 0.000 1.014 566 D HN 0.426 nan 8.370 nan 0.000 0.503 567 V N 0.572 120.439 119.914 -0.079 0.000 3.126 567 V HA 0.479 4.599 4.120 0.000 0.000 0.314 567 V C -0.548 175.479 176.094 -0.112 0.000 1.138 567 V CA -0.799 61.444 62.300 -0.097 0.000 1.034 567 V CB 3.079 34.867 31.823 -0.059 0.000 1.075 567 V HN -0.077 nan 8.190 nan 0.000 0.442 568 M N 1.974 121.499 119.600 -0.125 0.000 2.508 568 M HA 0.751 5.231 4.480 0.000 0.000 0.327 568 M C -0.618 175.649 176.300 -0.055 0.000 1.160 568 M CA -0.633 54.605 55.300 -0.103 0.000 0.980 568 M CB 1.967 34.483 32.600 -0.141 0.000 1.693 568 M HN 0.713 nan 8.290 nan 0.000 0.452 569 A N 2.779 125.577 122.820 -0.036 0.000 2.332 569 A HA 0.709 5.029 4.320 0.000 0.000 0.300 569 A C -0.880 176.699 177.584 -0.008 0.000 1.153 569 A CA -0.687 51.340 52.037 -0.018 0.000 0.764 569 A CB 0.899 19.890 19.000 -0.014 0.000 1.174 569 A HN 0.736 nan 8.150 nan 0.000 0.467 570 V N 0.933 120.846 119.914 -0.002 0.000 2.769 570 V HA 0.986 5.106 4.120 0.000 0.000 0.312 570 V C -0.188 175.912 176.094 0.009 0.000 1.058 570 V CA -0.171 62.132 62.300 0.005 0.000 0.952 570 V CB 1.683 33.511 31.823 0.007 0.000 1.019 570 V HN 1.462 nan 8.190 nan 0.000 0.445 571 S N 1.215 116.923 115.700 0.014 0.000 2.619 571 S HA 0.560 5.030 4.470 0.000 0.000 0.280 571 S C -0.216 174.398 174.600 0.023 0.000 1.150 571 S CA -0.498 57.713 58.200 0.019 0.000 0.978 571 S CB 1.090 64.305 63.200 0.024 0.000 1.041 571 S HN 1.097 nan 8.310 nan 0.000 0.485 572 T N 2.110 116.679 114.554 0.025 0.000 2.791 572 T HA 0.250 4.600 4.350 0.000 0.000 0.323 572 T C 0.083 174.812 174.700 0.049 0.000 1.082 572 T CA -0.154 61.962 62.100 0.027 0.000 1.084 572 T CB -0.037 68.851 68.868 0.034 0.000 0.992 572 T HN 0.840 nan 8.240 nan 0.000 0.547 573 c N 2.074 120.706 118.600 0.054 0.000 2.379 573 c HA 0.538 5.108 4.570 0.000 0.000 0.323 573 c C 0.419 174.638 174.090 0.214 0.000 1.262 573 c CA -0.899 55.500 56.329 0.116 0.000 1.581 573 c CB 0.675 43.241 42.510 0.093 0.000 2.221 573 c HN 0.697 nan 8.230 nan 0.000 0.497 574 V N 7.044 127.088 119.914 0.216 0.000 2.530 574 V HA 0.241 4.362 4.120 0.000 0.000 0.282 574 V C -1.650 174.558 176.094 0.190 0.000 1.048 574 V CA -0.872 61.558 62.300 0.217 0.000 0.997 574 V CB 1.052 33.013 31.823 0.229 0.000 0.987 574 V HN 0.739 nan 8.190 nan 0.000 0.477 575 P HA 0.258 nan 4.420 nan 0.000 0.272 575 P C -1.044 176.152 177.300 -0.174 0.000 1.223 575 P CA -0.091 62.905 63.100 -0.173 0.000 0.784 575 P CB 1.249 32.914 31.700 -0.057 0.000 0.923 576 V N 1.489 121.234 119.914 -0.282 0.000 2.612 576 V HA 0.424 4.544 4.120 0.000 0.000 0.301 576 V C 0.361 176.407 176.094 -0.079 0.000 1.059 576 V CA -1.022 61.175 62.300 -0.173 0.000 0.886 576 V CB 1.487 33.157 31.823 -0.255 0.000 1.007 576 V HN 0.782 nan 8.190 nan 0.000 0.426 577 A N 3.411 126.202 122.820 -0.048 0.000 2.507 577 A HA 0.604 4.924 4.320 0.000 0.000 0.235 577 A C 1.540 179.165 177.584 0.068 0.000 1.070 577 A CA 0.645 52.680 52.037 -0.003 0.000 0.768 577 A CB 0.490 19.485 19.000 -0.008 0.000 1.011 577 A HN 1.535 nan 8.150 nan 0.000 0.502 578 A N 1.065 123.951 122.820 0.109 0.000 1.929 578 A HA -0.060 4.260 4.320 0.000 0.000 0.216 578 A C 1.425 179.036 177.584 0.045 0.000 1.176 578 A CA 1.734 53.880 52.037 0.183 0.000 0.628 578 A CB -0.704 18.372 19.000 0.126 0.000 0.816 578 A HN 0.928 nan 8.150 nan 0.000 0.444 579 D N 0.033 120.449 120.400 0.027 0.000 2.392 579 D HA -0.091 4.549 4.640 0.000 0.000 0.228 579 D C 0.211 176.514 176.300 0.004 0.000 1.003 579 D CA 0.656 54.668 54.000 0.020 0.000 0.917 579 D CB -0.515 40.296 40.800 0.018 0.000 0.890 579 D HN 0.318 nan 8.370 nan 0.000 0.532 580 N N 0.098 118.787 118.700 -0.019 0.000 2.380 580 N HA 0.159 4.899 4.740 0.000 0.000 0.255 580 N C -1.036 174.434 175.510 -0.067 0.000 1.158 580 N CA -0.127 52.905 53.050 -0.031 0.000 0.878 580 N CB 1.540 40.011 38.487 -0.028 0.000 1.138 580 N HN 0.055 nan 8.380 nan 0.000 0.509 581 V N 1.384 121.252 119.914 -0.077 0.000 2.623 581 V HA 0.525 4.645 4.120 0.000 0.000 0.304 581 V C -0.187 175.944 176.094 0.061 0.000 1.054 581 V CA -0.698 61.538 62.300 -0.106 0.000 0.882 581 V CB 2.384 33.926 31.823 -0.469 0.000 1.002 581 V HN -0.002 nan 8.190 nan 0.000 0.424 582 I N 4.272 124.867 120.570 0.041 0.000 2.646 582 I HA 0.670 4.840 4.170 0.000 0.000 0.299 582 I C -0.641 175.449 176.117 -0.045 0.000 1.036 582 I CA -1.052 60.256 61.300 0.013 0.000 1.074 582 I CB 2.359 40.343 38.000 -0.027 0.000 1.258 582 I HN 0.276 nan 8.210 nan 0.000 0.430 583 V N 3.683 123.508 119.914 -0.148 0.000 2.769 583 V HA 0.379 4.499 4.120 0.000 0.000 0.312 583 V C -0.472 175.533 176.094 -0.148 0.000 1.058 583 V CA -0.819 61.361 62.300 -0.201 0.000 0.952 583 V CB 1.849 33.441 31.823 -0.384 0.000 1.019 583 V HN 0.608 nan 8.190 nan 0.000 0.445 584 Q N 1.603 121.372 119.800 -0.051 0.000 2.256 584 Q HA 0.356 4.696 4.340 0.000 0.000 0.254 584 Q C 0.635 176.677 176.000 0.070 0.000 0.916 584 Q CA -0.132 55.665 55.803 -0.010 0.000 0.932 584 Q CB 0.646 29.390 28.738 0.009 0.000 1.207 584 Q HN 0.626 nan 8.270 nan 0.000 0.426 585 N N -0.064 118.631 118.700 -0.008 0.000 2.513 585 N HA -0.086 4.654 4.740 0.000 0.000 0.187 585 N C -0.056 175.545 175.510 0.151 0.000 1.056 585 N CA 0.664 53.724 53.050 0.016 0.000 0.907 585 N CB 0.268 38.756 38.487 0.001 0.000 0.954 585 N HN 0.344 nan 8.380 nan 0.000 0.445 586 S N -1.563 114.271 115.700 0.224 0.000 2.732 586 S HA 0.624 5.094 4.470 0.000 0.000 0.293 586 S C -0.254 174.530 174.600 0.308 0.000 1.159 586 S CA -0.665 57.697 58.200 0.270 0.000 0.847 586 S CB 0.998 64.292 63.200 0.157 0.000 1.169 586 S HN -0.017 nan 8.310 nan 0.000 0.501 587 M N 0.585 120.352 119.600 0.279 0.000 2.215 587 M HA 0.273 4.753 4.480 0.000 0.000 0.391 587 M C 0.021 176.474 176.300 0.255 0.000 0.914 587 M CA -0.125 55.338 55.300 0.272 0.000 1.035 587 M CB 0.702 33.428 32.600 0.211 0.000 1.944 587 M HN 0.339 nan 8.290 nan 0.000 0.656 588 R N 1.528 122.105 120.500 0.128 0.000 2.490 588 R HA 0.512 4.853 4.340 0.000 0.000 0.280 588 R C -0.560 175.710 176.300 -0.050 0.000 1.077 588 R CA 0.033 56.104 56.100 -0.049 0.000 1.065 588 R CB 1.161 31.412 30.300 -0.083 0.000 1.003 588 R HN 0.187 nan 8.270 nan 0.000 0.470 589 I N 0.906 121.366 120.570 -0.184 0.000 2.359 589 I HA 0.046 4.217 4.170 0.000 0.000 0.294 589 I C 1.184 177.232 176.117 -0.114 0.000 0.987 589 I CA 0.056 61.262 61.300 -0.158 0.000 1.225 589 I CB 1.924 39.739 38.000 -0.308 0.000 1.366 589 I HN 0.630 nan 8.210 nan 0.000 0.466 590 S N 2.612 118.276 115.700 -0.060 0.000 2.483 590 S HA -0.077 4.393 4.470 0.000 0.000 0.221 590 S C 1.876 176.447 174.600 -0.049 0.000 1.030 590 S CA 1.007 59.177 58.200 -0.051 0.000 0.925 590 S CB 0.086 63.271 63.200 -0.026 0.000 0.795 590 S HN 0.823 nan 8.310 nan 0.000 0.511 591 S N 0.834 116.509 115.700 -0.042 0.000 2.481 591 S HA 0.197 4.667 4.470 0.000 0.000 0.231 591 S C 0.871 175.438 174.600 -0.054 0.000 0.996 591 S CA 0.041 58.219 58.200 -0.036 0.000 0.942 591 S CB -0.176 63.013 63.200 -0.019 0.000 0.768 591 S HN 0.416 nan 8.310 nan 0.000 0.520 592 R N 1.382 121.832 120.500 -0.084 0.000 2.655 592 R HA 0.322 4.663 4.340 0.000 0.000 0.261 592 R C -3.250 172.974 176.300 -0.126 0.000 1.624 592 R CA -1.577 54.464 56.100 -0.099 0.000 1.655 592 R CB 1.157 31.389 30.300 -0.113 0.000 1.356 592 R HN 0.259 nan 8.270 nan 0.000 0.684 593 P HA 0.002 nan 4.420 nan 0.000 0.265 593 P C 0.780 178.006 177.300 -0.124 0.000 1.193 593 P CA 0.959 63.988 63.100 -0.118 0.000 0.765 593 P CB 0.756 32.405 31.700 -0.085 0.000 0.823 594 G N 1.587 110.292 108.800 -0.158 0.000 2.147 594 G HA2 -0.003 3.957 3.960 0.000 0.000 0.244 594 G HA3 -0.003 3.957 3.960 0.000 0.000 0.244 594 G C 0.125 174.932 174.900 -0.156 0.000 1.005 594 G CA -0.038 44.974 45.100 -0.147 0.000 0.713 594 G HN 0.891 nan 8.290 nan 0.000 0.515 595 A N -1.234 121.463 122.820 -0.204 0.000 2.667 595 A HA 0.658 4.978 4.320 0.000 0.000 0.291 595 A C 0.207 177.602 177.584 -0.314 0.000 1.123 595 A CA 0.278 52.190 52.037 -0.207 0.000 0.832 595 A CB 0.198 19.105 19.000 -0.155 0.000 1.396 595 A HN 0.976 nan 8.150 nan 0.000 0.401 596 c N 0.152 118.548 118.600 -0.341 0.000 2.662 596 c HA 0.808 5.378 4.570 0.000 0.000 0.408 596 c C -0.124 173.726 174.090 -0.400 0.000 2.199 596 c CA -0.593 55.475 56.329 -0.436 0.000 1.790 596 c CB 0.297 42.580 42.510 -0.378 0.000 2.162 596 c HN 0.713 nan 8.230 nan 0.000 0.448 597 Y N 0.380 120.696 120.300 0.026 0.000 2.387 597 Y HA 0.321 4.871 4.550 0.000 0.000 0.330 597 Y C 1.563 177.482 175.900 0.033 0.000 1.133 597 Y CA -0.193 57.912 58.100 0.008 0.000 1.152 597 Y CB 1.000 39.431 38.460 -0.048 0.000 1.215 597 Y HN 0.726 nan 8.280 nan 0.000 0.466 598 S N 1.326 117.137 115.700 0.187 0.000 2.461 598 S HA 0.160 4.630 4.470 0.000 0.000 0.228 598 S C 0.437 175.081 174.600 0.074 0.000 1.005 598 S CA 0.274 58.577 58.200 0.171 0.000 0.942 598 S CB 0.018 63.316 63.200 0.163 0.000 0.776 598 S HN 0.661 nan 8.310 nan 0.000 0.514 599 R N 0.997 121.434 120.500 -0.106 0.000 2.744 599 R HA 0.525 4.865 4.340 0.000 0.000 0.279 599 R C -3.231 172.712 176.300 -0.595 0.000 0.977 599 R CA -2.555 53.233 56.100 -0.521 0.000 0.906 599 R CB 1.198 31.309 30.300 -0.315 0.000 1.197 599 R HN 0.088 nan 8.270 nan 0.000 0.463 600 P HA -0.053 nan 4.420 nan 0.000 0.267 600 P C -0.674 176.350 177.300 -0.460 0.000 1.195 600 P CA 0.292 62.868 63.100 -0.873 0.000 0.773 600 P CB 0.488 31.560 31.700 -1.046 0.000 0.837 601 L N 1.891 122.918 121.223 -0.326 0.000 2.325 601 L HA 0.618 4.958 4.340 0.000 0.000 0.279 601 L C 0.289 177.073 176.870 -0.144 0.000 1.054 601 L CA -0.675 54.019 54.840 -0.245 0.000 0.804 601 L CB 1.095 43.023 42.059 -0.218 0.000 1.200 601 L HN 0.180 nan 8.230 nan 0.000 0.436 602 V N -0.998 118.857 119.914 -0.098 0.000 3.147 602 V HA 0.746 4.866 4.120 0.000 0.000 0.306 602 V C -0.553 175.554 176.094 0.021 0.000 1.209 602 V CA -0.561 61.720 62.300 -0.031 0.000 1.023 602 V CB 1.957 33.784 31.823 0.008 0.000 1.059 602 V HN 0.687 nan 8.190 nan 0.000 0.435 603 S N 2.046 117.757 115.700 0.018 0.000 2.526 603 S HA 0.975 5.445 4.470 0.000 0.000 0.293 603 S C -0.847 173.764 174.600 0.020 0.000 1.092 603 S CA -0.514 57.661 58.200 -0.042 0.000 0.980 603 S CB 1.545 64.685 63.200 -0.100 0.000 1.048 603 S HN 1.227 nan 8.310 nan 0.000 0.483 604 F N -0.399 119.470 119.950 -0.134 0.000 2.692 604 F HA 0.821 5.348 4.527 0.000 0.000 0.320 604 F C -0.790 174.916 175.800 -0.155 0.000 1.123 604 F CA -1.467 56.418 58.000 -0.193 0.000 0.961 604 F CB 1.238 40.056 39.000 -0.302 0.000 1.383 604 F HN 0.335 nan 8.300 nan 0.000 0.483 605 R N 0.221 120.737 120.500 0.028 0.000 2.686 605 R HA 0.448 4.788 4.340 0.000 0.000 0.283 605 R C -2.086 174.206 176.300 -0.014 0.000 0.978 605 R CA -0.985 55.114 56.100 -0.002 0.000 0.897 605 R CB 2.268 32.572 30.300 0.007 0.000 1.192 605 R HN 0.694 nan 8.270 nan 0.000 0.457 606 Y N 2.540 122.895 120.300 0.092 0.000 2.313 606 Y HA 0.119 4.669 4.550 0.000 0.000 0.332 606 Y C 0.733 176.658 175.900 0.042 0.000 1.071 606 Y CA -0.002 58.148 58.100 0.084 0.000 1.169 606 Y CB 0.771 39.279 38.460 0.079 0.000 1.192 606 Y HN 0.605 nan 8.280 nan 0.000 0.487 607 E N 1.101 121.393 120.200 0.155 0.000 3.221 607 E HA -0.314 4.036 4.350 0.000 0.000 0.267 607 E C -0.440 176.195 176.600 0.058 0.000 1.421 607 E CA 1.493 57.948 56.400 0.092 0.000 1.922 607 E CB -0.710 29.045 29.700 0.091 0.000 2.010 607 E HN 0.852 nan 8.360 nan 0.000 0.520 608 D N -0.261 120.167 120.400 0.046 0.000 2.461 608 D HA 0.109 4.749 4.640 0.000 0.000 0.266 608 D C 1.267 177.584 176.300 0.027 0.000 1.085 608 D CA 0.432 54.450 54.000 0.030 0.000 0.887 608 D CB 0.319 41.133 40.800 0.022 0.000 1.309 608 D HN 0.207 nan 8.370 nan 0.000 0.498 609 Q N 0.473 120.291 119.800 0.030 0.000 2.247 609 Q HA 0.278 4.618 4.340 0.000 0.000 0.211 609 Q C 0.788 176.803 176.000 0.025 0.000 0.861 609 Q CA -0.230 55.586 55.803 0.022 0.000 0.949 609 Q CB 1.584 30.333 28.738 0.018 0.000 1.115 609 Q HN 0.075 nan 8.270 nan 0.000 0.507 610 G N 2.044 110.870 108.800 0.044 0.000 2.599 610 G HA2 0.324 4.284 3.960 0.000 0.000 0.264 610 G HA3 0.324 4.284 3.960 0.000 0.000 0.264 610 G C -2.332 172.591 174.900 0.037 0.000 1.200 610 G CA -0.834 44.297 45.100 0.051 0.000 0.896 610 G HN -0.049 nan 8.290 nan 0.000 0.536 611 P HA 0.145 nan 4.420 nan 0.000 0.271 611 P C -0.347 176.946 177.300 -0.011 0.000 1.238 611 P CA -0.384 62.714 63.100 -0.003 0.000 0.794 611 P CB 0.537 32.227 31.700 -0.017 0.000 0.959 612 L N 0.755 121.942 121.223 -0.060 0.000 2.296 612 L HA 0.445 4.785 4.340 0.000 0.000 0.286 612 L C -0.938 175.801 176.870 -0.217 0.000 1.023 612 L CA -0.677 54.087 54.840 -0.128 0.000 0.812 612 L CB 1.020 43.014 42.059 -0.109 0.000 1.223 612 L HN -0.004 nan 8.230 nan 0.000 0.421 613 V N 4.034 123.682 119.914 -0.445 0.000 2.732 613 V HA 0.478 4.599 4.120 0.000 0.000 0.310 613 V C -0.384 175.253 176.094 -0.763 0.000 1.053 613 V CA -0.747 61.187 62.300 -0.611 0.000 0.957 613 V CB 1.883 33.251 31.823 -0.758 0.000 1.018 613 V HN 0.730 nan 8.190 nan 0.000 0.452 614 E N 1.153 121.108 120.200 -0.407 0.000 2.187 614 E HA 0.695 5.045 4.350 0.000 0.000 0.268 614 E C -0.148 176.447 176.600 -0.009 0.000 0.896 614 E CA -0.346 55.934 56.400 -0.200 0.000 0.766 614 E CB 2.364 31.991 29.700 -0.123 0.000 1.142 614 E HN 0.919 nan 8.360 nan 0.000 0.408 615 G N 1.470 110.363 108.800 0.154 0.000 2.788 615 G HA2 0.300 4.260 3.960 0.000 0.000 0.293 615 G HA3 0.300 4.260 3.960 0.000 0.000 0.293 615 G C -1.510 173.411 174.900 0.035 0.000 1.392 615 G CA -0.536 44.671 45.100 0.177 0.000 0.810 615 G HN 0.397 nan 8.290 nan 0.000 0.508 616 Q N -0.193 119.600 119.800 -0.011 0.000 2.293 616 Q HA 0.523 4.864 4.340 0.000 0.000 0.261 616 Q C -0.817 175.149 176.000 -0.056 0.000 0.960 616 Q CA -0.826 54.921 55.803 -0.093 0.000 0.882 616 Q CB 1.860 30.526 28.738 -0.120 0.000 1.275 616 Q HN 0.480 nan 8.270 nan 0.000 0.445 617 L N 3.839 125.008 121.223 -0.090 0.000 2.513 617 L HA 0.328 4.668 4.340 0.000 0.000 0.272 617 L C 0.103 176.971 176.870 -0.004 0.000 1.187 617 L CA 1.083 55.905 54.840 -0.030 0.000 0.895 617 L CB 0.506 42.530 42.059 -0.057 0.000 1.147 617 L HN 0.734 nan 8.230 nan 0.000 0.483 618 G N 3.962 112.795 108.800 0.055 0.000 2.795 618 G HA2 0.388 4.348 3.960 0.000 0.000 0.267 618 G HA3 0.388 4.348 3.960 0.000 0.000 0.267 618 G C -0.904 174.064 174.900 0.113 0.000 1.362 618 G CA -0.688 44.455 45.100 0.072 0.000 1.048 618 G HN 0.654 nan 8.290 nan 0.000 0.547 619 E N 0.810 121.072 120.200 0.104 0.000 2.338 619 E HA 0.091 4.442 4.350 0.000 0.000 0.272 619 E C 0.103 176.757 176.600 0.091 0.000 1.029 619 E CA -0.239 56.228 56.400 0.110 0.000 0.872 619 E CB 0.664 30.418 29.700 0.091 0.000 1.015 619 E HN 0.572 nan 8.360 nan 0.000 0.417 620 N N 3.839 122.591 118.700 0.086 0.000 2.714 620 N HA -0.245 4.495 4.740 0.000 0.000 0.253 620 N C -0.868 174.667 175.510 0.042 0.000 1.024 620 N CA 0.364 53.440 53.050 0.044 0.000 0.726 620 N CB -0.860 37.645 38.487 0.030 0.000 0.908 620 N HN 0.687 nan 8.380 nan 0.000 0.542 621 N N -0.607 118.135 118.700 0.069 0.000 2.747 621 N HA -0.221 4.519 4.740 0.000 0.000 0.249 621 N C -0.206 175.405 175.510 0.168 0.000 1.107 621 N CA 1.447 54.551 53.050 0.091 0.000 0.707 621 N CB -1.073 37.280 38.487 -0.224 0.000 1.054 621 N HN 0.798 nan 8.380 nan 0.000 0.555 622 E N 0.582 120.861 120.200 0.132 0.000 2.331 622 E HA 0.261 4.612 4.350 0.000 0.000 0.272 622 E C -0.204 176.431 176.600 0.058 0.000 1.036 622 E CA -0.349 56.114 56.400 0.105 0.000 0.864 622 E CB 0.581 30.326 29.700 0.075 0.000 1.035 622 E HN 0.234 nan 8.360 nan 0.000 0.408 623 L N 5.675 126.887 121.223 -0.018 0.000 2.287 623 L HA 0.374 4.714 4.340 0.000 0.000 0.280 623 L C 0.212 177.053 176.870 -0.049 0.000 1.055 623 L CA -0.449 54.295 54.840 -0.160 0.000 0.863 623 L CB 0.638 42.377 42.059 -0.535 0.000 1.245 623 L HN 0.427 nan 8.230 nan 0.000 0.432 624 R N 2.544 123.047 120.500 0.005 0.000 2.389 624 R HA 0.153 4.493 4.340 0.000 0.000 0.295 624 R C 0.577 176.928 176.300 0.084 0.000 1.075 624 R CA -0.578 55.549 56.100 0.044 0.000 1.005 624 R CB 1.044 31.366 30.300 0.035 0.000 0.987 624 R HN 0.481 nan 8.270 nan 0.000 0.452 625 L N 1.182 122.465 121.223 0.099 0.000 2.395 625 L HA 0.011 4.351 4.340 0.000 0.000 0.218 625 L C 0.746 177.666 176.870 0.083 0.000 1.130 625 L CA 1.233 56.148 54.840 0.126 0.000 0.826 625 L CB -0.349 41.781 42.059 0.117 0.000 0.941 625 L HN 0.564 nan 8.230 nan 0.000 0.451 626 T N -0.702 113.888 114.554 0.059 0.000 2.918 626 T HA 0.442 4.793 4.350 0.000 0.000 0.286 626 T C 0.611 175.326 174.700 0.025 0.000 1.026 626 T CA -0.647 61.478 62.100 0.042 0.000 1.031 626 T CB 1.876 70.770 68.868 0.043 0.000 1.046 626 T HN 0.035 nan 8.240 nan 0.000 0.479 627 R N 1.500 122.012 120.500 0.020 0.000 2.865 627 R HA 0.133 4.473 4.340 0.000 0.000 0.370 627 R C 0.184 176.541 176.300 0.094 0.000 1.168 627 R CA -0.104 55.996 56.100 0.001 0.000 1.058 627 R CB 0.153 30.403 30.300 -0.082 0.000 1.419 627 R HN 0.647 nan 8.270 nan 0.000 0.580 628 D N -0.169 120.279 120.400 0.080 0.000 2.340 628 D HA -0.034 4.606 4.640 0.000 0.000 0.220 628 D C 0.576 176.934 176.300 0.098 0.000 1.039 628 D CA -0.071 53.983 54.000 0.090 0.000 0.866 628 D CB 0.313 41.149 40.800 0.060 0.000 0.913 628 D HN 0.062 nan 8.370 nan 0.000 0.523 629 A N 1.353 124.239 122.820 0.110 0.000 3.051 629 A HA 0.336 4.656 4.320 0.000 0.000 0.257 629 A C 0.576 178.254 177.584 0.156 0.000 1.785 629 A CA -0.412 51.691 52.037 0.110 0.000 1.420 629 A CB -1.166 17.887 19.000 0.087 0.000 1.063 629 A HN 0.283 nan 8.150 nan 0.000 0.630 630 I N -0.023 120.618 120.570 0.117 0.000 2.834 630 I HA 0.432 4.602 4.170 0.000 0.000 0.305 630 I C 0.502 176.637 176.117 0.031 0.000 1.008 630 I CA -0.377 60.956 61.300 0.055 0.000 1.273 630 I CB 1.297 39.289 38.000 -0.014 0.000 1.432 630 I HN 0.563 nan 8.210 nan 0.000 0.557 631 E N 4.807 125.001 120.200 -0.011 0.000 2.347 631 E HA 0.339 4.689 4.350 0.000 0.000 0.285 631 E C -2.719 173.870 176.600 -0.019 0.000 0.925 631 E CA -1.906 54.509 56.400 0.024 0.000 0.779 631 E CB 2.439 32.197 29.700 0.096 0.000 1.233 631 E HN 0.155 nan 8.360 nan 0.000 0.414 632 P HA 0.023 nan 4.420 nan 0.000 0.261 632 P C -0.303 176.978 177.300 -0.032 0.000 1.203 632 P CA -0.131 62.944 63.100 -0.041 0.000 0.767 632 P CB 0.073 31.764 31.700 -0.014 0.000 0.785 633 c N 3.590 122.101 118.600 -0.150 0.000 2.608 633 c HA 0.203 4.773 4.570 0.000 0.000 0.407 633 c C 1.063 175.136 174.090 -0.029 0.000 1.322 633 c CA 0.498 56.669 56.329 -0.264 0.000 1.778 633 c CB -1.028 41.153 42.510 -0.548 0.000 2.654 633 c HN 0.557 nan 8.230 nan 0.000 0.622 634 T N 0.872 115.528 114.554 0.171 0.000 2.864 634 T HA 0.571 4.921 4.350 0.000 0.000 0.299 634 T C -0.321 174.541 174.700 0.269 0.000 1.166 634 T CA -0.633 61.586 62.100 0.198 0.000 1.007 634 T CB 1.268 70.264 68.868 0.213 0.000 1.219 634 T HN 0.796 nan 8.240 nan 0.000 0.506 635 V N -0.907 119.108 119.914 0.169 0.000 2.904 635 V HA 0.825 4.945 4.120 0.000 0.000 0.305 635 V C 1.177 177.360 176.094 0.147 0.000 1.067 635 V CA 0.199 62.591 62.300 0.154 0.000 1.044 635 V CB 0.292 32.169 31.823 0.091 0.000 1.050 635 V HN 1.548 nan 8.190 nan 0.000 0.475 636 G N 0.618 109.495 108.800 0.128 0.000 2.160 636 G HA2 -0.267 3.693 3.960 0.000 0.000 0.251 636 G HA3 -0.267 3.693 3.960 0.000 0.000 0.251 636 G C 0.276 175.222 174.900 0.077 0.000 1.008 636 G CA 0.593 45.746 45.100 0.087 0.000 0.724 636 G HN 1.514 nan 8.290 nan 0.000 0.514 637 H N 1.190 120.261 119.070 0.003 0.000 2.944 637 H HA 0.422 4.979 4.556 0.000 0.000 0.278 637 H C 0.714 175.952 175.328 -0.149 0.000 1.083 637 H CA 0.538 56.514 56.048 -0.121 0.000 1.479 637 H CB 0.287 29.837 29.762 -0.353 0.000 1.486 637 H HN 0.664 nan 8.280 nan 0.000 0.493 638 R N 4.498 124.763 120.500 -0.392 0.000 2.510 638 R HA 0.584 4.924 4.340 0.000 0.000 0.287 638 R C -1.256 174.826 176.300 -0.362 0.000 1.084 638 R CA -1.024 54.897 56.100 -0.297 0.000 0.934 638 R CB 1.915 32.191 30.300 -0.041 0.000 1.201 638 R HN 0.510 nan 8.270 nan 0.000 0.431 639 R N 2.480 122.715 120.500 -0.442 0.000 2.707 639 R HA 0.339 4.679 4.340 0.000 0.000 0.272 639 R C -1.514 174.465 176.300 -0.535 0.000 1.011 639 R CA -1.001 54.805 56.100 -0.489 0.000 0.893 639 R CB 2.085 31.981 30.300 -0.674 0.000 1.233 639 R HN 0.506 nan 8.270 nan 0.000 0.464 640 Y N 1.083 121.147 120.300 -0.392 0.000 2.341 640 Y HA 0.475 5.025 4.550 0.000 0.000 0.337 640 Y C -0.455 175.239 175.900 -0.343 0.000 1.014 640 Y CA -0.585 57.403 58.100 -0.188 0.000 1.111 640 Y CB 1.162 39.471 38.460 -0.251 0.000 1.194 640 Y HN 0.347 nan 8.280 nan 0.000 0.462 641 F N 0.709 120.940 119.950 0.468 0.000 2.477 641 F HA 0.292 4.819 4.527 0.000 0.000 0.335 641 F C 0.195 176.265 175.800 0.449 0.000 1.130 641 F CA -1.482 56.751 58.000 0.389 0.000 0.948 641 F CB 1.724 40.850 39.000 0.209 0.000 1.154 641 F HN 0.426 nan 8.300 nan 0.000 0.439 642 T N 0.670 115.481 114.554 0.427 0.000 2.761 642 T HA 0.047 4.397 4.350 0.000 0.000 0.262 642 T C -0.726 174.101 174.700 0.212 0.000 0.968 642 T CA 0.071 62.180 62.100 0.014 0.000 1.235 642 T CB -0.796 68.007 68.868 -0.108 0.000 0.925 642 T HN 0.369 nan 8.240 nan 0.000 0.545 643 F N 4.125 124.136 119.950 0.101 0.000 2.427 643 F HA 0.593 5.120 4.527 0.000 0.000 0.348 643 F C 0.917 176.798 175.800 0.136 0.000 1.125 643 F CA 0.306 58.429 58.000 0.205 0.000 0.989 643 F CB 0.641 39.821 39.000 0.301 0.000 1.165 643 F HN 1.096 nan 8.300 nan 0.000 0.442 644 G N 4.289 112.807 108.800 -0.471 0.000 2.527 644 G HA2 -0.252 3.708 3.960 0.000 0.000 0.268 644 G HA3 -0.252 3.708 3.960 0.000 0.000 0.268 644 G C 0.898 175.601 174.900 -0.328 0.000 1.175 644 G CA -0.074 44.733 45.100 -0.489 0.000 0.962 644 G HN 1.502 nan 8.290 nan 0.000 0.560 645 G N 0.673 109.350 108.800 -0.205 0.000 3.181 645 G HA2 0.608 4.568 3.960 0.000 0.000 0.219 645 G HA3 0.608 4.568 3.960 0.000 0.000 0.219 645 G C 0.734 175.570 174.900 -0.107 0.000 1.182 645 G CA 1.560 46.572 45.100 -0.146 0.000 0.791 645 G HN 1.784 nan 8.290 nan 0.000 0.537 646 G N -1.041 107.699 108.800 -0.101 0.000 3.100 646 G HA2 0.542 4.503 3.960 0.000 0.000 0.174 646 G HA3 0.542 4.503 3.960 0.000 0.000 0.174 646 G C -1.563 173.248 174.900 -0.148 0.000 1.136 646 G CA -0.755 44.309 45.100 -0.061 0.000 0.881 646 G HN 0.039 nan 8.290 nan 0.000 0.616 647 Y N -1.907 118.525 120.300 0.219 0.000 2.602 647 Y HA 0.662 5.212 4.550 0.000 0.000 0.342 647 Y C -0.465 175.657 175.900 0.369 0.000 1.029 647 Y CA -0.808 57.471 58.100 0.297 0.000 1.080 647 Y CB 2.696 41.309 38.460 0.255 0.000 1.284 647 Y HN 0.369 nan 8.280 nan 0.000 0.485 648 V N 2.667 122.954 119.914 0.621 0.000 2.447 648 V HA 0.344 4.464 4.120 0.000 0.000 0.292 648 V C -1.938 174.418 176.094 0.437 0.000 1.021 648 V CA -0.631 61.958 62.300 0.482 0.000 0.850 648 V CB 0.815 32.949 31.823 0.518 0.000 1.005 648 V HN 0.655 nan 8.190 nan 0.000 0.426 649 Y N 7.961 128.209 120.300 -0.087 0.000 2.535 649 Y HA 0.583 5.134 4.550 0.000 0.000 0.349 649 Y C -0.746 175.008 175.900 -0.242 0.000 0.992 649 Y CA -1.034 56.889 58.100 -0.295 0.000 1.248 649 Y CB 0.488 38.574 38.460 -0.624 0.000 1.124 649 Y HN 0.592 nan 8.280 nan 0.000 0.520 650 F N 4.247 123.882 119.950 -0.523 0.000 2.410 650 F HA 0.274 4.801 4.527 0.000 0.000 0.348 650 F C 0.401 175.731 175.800 -0.783 0.000 1.106 650 F CA -0.411 57.329 58.000 -0.434 0.000 1.163 650 F CB 0.975 39.949 39.000 -0.043 0.000 1.129 650 F HN 0.448 nan 8.300 nan 0.000 0.516 651 E N 3.220 123.147 120.200 -0.455 0.000 2.145 651 E HA 0.228 4.578 4.350 0.000 0.000 0.262 651 E C -0.842 175.728 176.600 -0.049 0.000 0.883 651 E CA -0.335 55.853 56.400 -0.353 0.000 0.748 651 E CB 0.433 29.984 29.700 -0.249 0.000 1.140 651 E HN 0.699 nan 8.360 nan 0.000 0.417 652 E N 3.328 123.551 120.200 0.039 0.000 2.264 652 E HA -0.258 4.093 4.350 0.000 0.000 0.223 652 E C -1.024 175.747 176.600 0.284 0.000 1.220 652 E CA 0.607 57.111 56.400 0.172 0.000 0.692 652 E CB -1.452 28.337 29.700 0.149 0.000 1.203 652 E HN 0.815 nan 8.360 nan 0.000 0.384 653 Y N -3.833 116.566 120.300 0.165 0.000 4.177 653 Y HA -0.307 4.243 4.550 0.000 0.000 0.227 653 Y C 0.233 176.260 175.900 0.213 0.000 1.154 653 Y CA 0.897 59.051 58.100 0.091 0.000 1.887 653 Y CB -1.530 36.890 38.460 -0.066 0.000 1.594 653 Y HN 0.543 nan 8.280 nan 0.000 0.668 654 A N -0.768 122.268 122.820 0.361 0.000 2.488 654 A HA 0.567 4.887 4.320 0.000 0.000 0.295 654 A C -0.891 176.641 177.584 -0.086 0.000 1.045 654 A CA -0.877 51.306 52.037 0.243 0.000 0.703 654 A CB 0.588 19.660 19.000 0.121 0.000 1.271 654 A HN 0.293 nan 8.150 nan 0.000 0.400 655 Y N 2.201 122.094 120.300 -0.678 0.000 2.811 655 Y HA 0.220 4.770 4.550 0.000 0.000 0.334 655 Y C 1.306 176.882 175.900 -0.540 0.000 1.247 655 Y CA 1.863 59.153 58.100 -1.350 0.000 1.526 655 Y CB 1.018 38.865 38.460 -1.022 0.000 1.284 655 Y HN 0.713 nan 8.280 nan 0.000 0.586 656 S N 3.355 118.350 115.700 -1.175 0.000 2.830 656 S HA 0.190 4.660 4.470 0.000 0.000 0.249 656 S C -0.974 173.306 174.600 -0.533 0.000 1.084 656 S CA 0.552 58.431 58.200 -0.535 0.000 0.852 656 S CB -0.081 63.072 63.200 -0.078 0.000 0.802 656 S HN 0.965 nan 8.310 nan 0.000 0.481 657 H N -0.323 118.042 119.070 -1.175 0.000 2.929 657 H HA 0.301 4.858 4.556 0.000 0.000 0.268 657 H C -1.477 173.751 175.328 -0.166 0.000 1.333 657 H CA -0.777 54.936 56.048 -0.559 0.000 1.422 657 H CB -0.261 29.413 29.762 -0.147 0.000 1.897 657 H HN 0.266 nan 8.280 nan 0.000 0.491 658 Q N 0.106 120.014 119.800 0.179 0.000 2.335 658 Q HA 0.608 4.948 4.340 0.000 0.000 0.180 658 Q C -0.576 175.554 176.000 0.217 0.000 1.101 658 Q CA -0.670 55.293 55.803 0.266 0.000 1.165 658 Q CB 0.733 29.710 28.738 0.399 0.000 1.220 658 Q HN 0.449 nan 8.270 nan 0.000 0.626 659 L N -1.030 120.358 121.223 0.276 0.000 2.866 659 L HA 0.251 4.591 4.340 0.000 0.000 0.262 659 L C -1.533 175.482 176.870 0.241 0.000 0.986 659 L CA -0.250 54.742 54.840 0.253 0.000 0.925 659 L CB 2.065 44.279 42.059 0.260 0.000 1.484 659 L HN 0.765 nan 8.230 nan 0.000 0.414 660 S N 1.545 117.358 115.700 0.188 0.000 2.654 660 S HA 0.535 5.006 4.470 0.000 0.000 0.283 660 S C 0.752 175.460 174.600 0.180 0.000 1.180 660 S CA -0.286 58.004 58.200 0.149 0.000 1.021 660 S CB 1.677 64.938 63.200 0.102 0.000 1.018 660 S HN 0.815 nan 8.310 nan 0.000 0.532 661 R N 0.521 121.111 120.500 0.150 0.000 2.280 661 R HA 0.033 4.373 4.340 0.000 0.000 0.207 661 R C 2.098 178.465 176.300 0.111 0.000 1.043 661 R CA 0.961 57.174 56.100 0.188 0.000 1.006 661 R CB -0.856 29.512 30.300 0.114 0.000 0.885 661 R HN 0.852 nan 8.270 nan 0.000 0.467 662 A N 1.250 124.116 122.820 0.075 0.000 1.865 662 A HA -0.228 4.093 4.320 0.000 0.000 0.217 662 A C 1.479 179.076 177.584 0.022 0.000 1.191 662 A CA 2.012 54.075 52.037 0.043 0.000 0.623 662 A CB -0.573 18.450 19.000 0.039 0.000 0.826 662 A HN 0.338 nan 8.150 nan 0.000 0.444 663 D N 0.168 120.582 120.400 0.023 0.000 2.108 663 D HA -0.102 4.538 4.640 0.000 0.000 0.190 663 D C 0.790 177.052 176.300 -0.063 0.000 0.995 663 D CA 0.796 54.788 54.000 -0.013 0.000 0.834 663 D CB -0.508 40.289 40.800 -0.005 0.000 0.967 663 D HN 0.295 nan 8.370 nan 0.000 0.446 664 I N 2.298 122.805 120.570 -0.105 0.000 2.943 664 I HA -0.106 4.064 4.170 0.000 0.000 0.296 664 I C 0.460 176.501 176.117 -0.125 0.000 1.220 664 I CA 0.544 61.726 61.300 -0.198 0.000 1.409 664 I CB -1.232 36.585 38.000 -0.306 0.000 1.374 664 I HN -0.105 nan 8.210 nan 0.000 0.545 665 T N 6.604 121.078 114.554 -0.132 0.000 2.849 665 T HA 0.016 4.366 4.350 0.000 0.000 0.289 665 T C 0.701 175.349 174.700 -0.086 0.000 1.010 665 T CA 0.253 62.296 62.100 -0.094 0.000 1.161 665 T CB -0.169 68.641 68.868 -0.096 0.000 0.989 665 T HN 0.594 nan 8.240 nan 0.000 0.523 666 T N 3.879 118.398 114.554 -0.059 0.000 2.837 666 T HA 0.579 4.929 4.350 0.000 0.000 0.285 666 T C 0.453 175.114 174.700 -0.065 0.000 0.984 666 T CA -0.790 61.278 62.100 -0.053 0.000 1.049 666 T CB 1.008 69.861 68.868 -0.026 0.000 0.947 666 T HN 0.538 nan 8.240 nan 0.000 0.472 667 V N 0.037 119.899 119.914 -0.087 0.000 3.158 667 V HA 0.934 5.054 4.120 0.000 0.000 0.315 667 V C -0.206 175.791 176.094 -0.161 0.000 1.148 667 V CA -1.056 61.182 62.300 -0.103 0.000 1.042 667 V CB 1.968 33.729 31.823 -0.102 0.000 1.101 667 V HN 0.767 nan 8.190 nan 0.000 0.448 668 S N -0.416 115.175 115.700 -0.182 0.000 2.561 668 S HA 0.523 4.993 4.470 0.000 0.000 0.303 668 S C 0.676 175.079 174.600 -0.328 0.000 1.110 668 S CA 0.203 58.217 58.200 -0.310 0.000 1.034 668 S CB 1.634 64.733 63.200 -0.168 0.000 1.010 668 S HN 1.385 nan 8.310 nan 0.000 0.482 669 T N 1.973 116.191 114.554 -0.561 0.000 3.065 669 T HA 0.318 4.668 4.350 0.000 0.000 0.252 669 T C 0.253 174.860 174.700 -0.154 0.000 1.099 669 T CA 0.077 61.977 62.100 -0.333 0.000 1.063 669 T CB -0.413 68.277 68.868 -0.297 0.000 0.948 669 T HN 0.392 nan 8.240 nan 0.000 0.506 670 F N 1.634 121.585 119.950 0.002 0.000 2.418 670 F HA 0.555 5.082 4.527 0.000 0.000 0.341 670 F C 0.587 176.394 175.800 0.012 0.000 1.120 670 F CA -2.702 55.305 58.000 0.012 0.000 1.232 670 F CB 0.157 39.168 39.000 0.017 0.000 1.175 670 F HN 0.012 nan 8.300 nan 0.000 0.569 671 I N 2.914 123.612 120.570 0.213 0.000 2.354 671 I HA 0.201 4.371 4.170 0.000 0.000 0.292 671 I C -0.434 175.752 176.117 0.115 0.000 0.989 671 I CA -0.858 60.517 61.300 0.124 0.000 1.188 671 I CB 1.215 39.267 38.000 0.088 0.000 1.342 671 I HN 0.430 nan 8.210 nan 0.000 0.457 672 D N 5.929 126.383 120.400 0.090 0.000 2.341 672 D HA 0.443 5.083 4.640 0.000 0.000 0.245 672 D C -0.637 175.695 176.300 0.054 0.000 1.106 672 D CA -0.009 54.034 54.000 0.071 0.000 0.905 672 D CB 1.928 42.763 40.800 0.059 0.000 1.202 672 D HN 0.123 nan 8.370 nan 0.000 0.426 673 L N 2.158 123.407 121.223 0.043 0.000 2.541 673 L HA 0.294 4.634 4.340 0.000 0.000 0.266 673 L C -1.588 175.295 176.870 0.022 0.000 0.966 673 L CA -0.568 54.292 54.840 0.034 0.000 0.871 673 L CB 1.445 43.527 42.059 0.039 0.000 1.232 673 L HN 0.065 nan 8.230 nan 0.000 0.408 674 N N 6.408 125.118 118.700 0.018 0.000 2.558 674 N HA 0.483 5.223 4.740 0.000 0.000 0.233 674 N C -0.937 174.577 175.510 0.006 0.000 1.038 674 N CA 0.084 53.141 53.050 0.011 0.000 0.934 674 N CB 0.901 39.395 38.487 0.011 0.000 1.175 674 N HN 0.519 nan 8.380 nan 0.000 0.512 675 I N 1.582 122.153 120.570 0.002 0.000 2.354 675 I HA 0.186 4.356 4.170 0.000 0.000 0.286 675 I C 0.694 176.808 176.117 -0.005 0.000 1.007 675 I CA -0.620 60.678 61.300 -0.002 0.000 1.167 675 I CB 1.048 39.044 38.000 -0.007 0.000 1.320 675 I HN 0.344 nan 8.210 nan 0.000 0.458 676 T N 4.139 118.691 114.554 -0.004 0.000 2.902 676 T HA 0.561 4.911 4.350 0.000 0.000 0.280 676 T C 0.132 174.829 174.700 -0.006 0.000 0.992 676 T CA -0.941 61.155 62.100 -0.006 0.000 1.015 676 T CB 1.515 70.380 68.868 -0.005 0.000 1.044 676 T HN 0.240 nan 8.240 nan 0.000 0.520 677 M N 1.305 120.901 119.600 -0.006 0.000 2.471 677 M HA 0.420 4.900 4.480 0.000 0.000 0.309 677 M C -0.358 175.941 176.300 -0.002 0.000 1.186 677 M CA -1.032 54.266 55.300 -0.004 0.000 1.008 677 M CB 1.122 33.720 32.600 -0.004 0.000 1.551 677 M HN 0.648 nan 8.290 nan 0.000 0.477 678 L N 1.887 123.112 121.223 0.002 0.000 2.313 678 L HA 0.210 4.550 4.340 0.000 0.000 0.282 678 L C -0.006 176.871 176.870 0.011 0.000 1.092 678 L CA 0.436 55.280 54.840 0.006 0.000 0.831 678 L CB 0.162 42.229 42.059 0.014 0.000 1.159 678 L HN 0.586 nan 8.230 nan 0.000 0.442 679 E N 2.742 122.945 120.200 0.005 0.000 2.349 679 E HA 0.153 4.503 4.350 0.000 0.000 0.262 679 E C -0.516 176.100 176.600 0.027 0.000 1.088 679 E CA -0.720 55.687 56.400 0.010 0.000 0.899 679 E CB 0.644 30.344 29.700 -0.000 0.000 1.044 679 E HN 0.589 nan 8.360 nan 0.000 0.420 680 D N 0.994 121.413 120.400 0.032 0.000 2.370 680 D HA -0.025 4.615 4.640 0.000 0.000 0.235 680 D C -0.171 176.177 176.300 0.082 0.000 1.228 680 D CA 0.998 55.027 54.000 0.048 0.000 0.884 680 D CB 0.351 41.168 40.800 0.029 0.000 1.201 680 D HN 0.396 nan 8.370 nan 0.000 0.456 681 H N -0.390 118.628 119.070 -0.086 0.000 3.086 681 H HA 0.138 4.695 4.556 0.000 0.000 0.353 681 H C -1.379 173.784 175.328 -0.275 0.000 1.134 681 H CA -0.556 55.370 56.048 -0.203 0.000 1.248 681 H CB 1.616 31.203 29.762 -0.293 0.000 1.878 681 H HN 0.419 nan 8.280 nan 0.000 0.527 682 E N 5.060 124.827 120.200 -0.722 0.000 2.197 682 E HA 0.176 4.526 4.350 0.000 0.000 0.281 682 E C -1.213 174.872 176.600 -0.858 0.000 0.995 682 E CA -0.771 55.298 56.400 -0.551 0.000 0.808 682 E CB 0.782 30.329 29.700 -0.254 0.000 1.093 682 E HN 0.312 nan 8.360 nan 0.000 0.394 683 F N 5.013 124.778 119.950 -0.308 0.000 2.334 683 F HA 0.131 4.658 4.527 0.000 0.000 0.365 683 F C 0.265 176.000 175.800 -0.109 0.000 1.124 683 F CA -0.865 57.014 58.000 -0.201 0.000 1.166 683 F CB 1.028 39.965 39.000 -0.104 0.000 1.355 683 F HN 0.236 nan 8.300 nan 0.000 0.532 684 V N 2.366 122.294 119.914 0.023 0.000 2.673 684 V HA 0.222 4.342 4.120 0.000 0.000 0.303 684 V C -2.148 173.985 176.094 0.064 0.000 1.046 684 V CA -1.857 60.461 62.300 0.030 0.000 1.126 684 V CB -0.276 31.552 31.823 0.008 0.000 0.934 684 V HN 0.426 nan 8.190 nan 0.000 0.487 685 P HA 0.427 nan 4.420 nan 0.000 0.263 685 P C -0.842 176.480 177.300 0.037 0.000 1.195 685 P CA 0.050 63.176 63.100 0.043 0.000 0.762 685 P CB 0.514 32.234 31.700 0.033 0.000 0.799 686 L N 3.171 124.415 121.223 0.035 0.000 2.482 686 L HA 0.352 4.693 4.340 0.000 0.000 0.269 686 L C -0.669 176.208 176.870 0.011 0.000 0.967 686 L CA -0.145 54.710 54.840 0.024 0.000 0.851 686 L CB 1.642 43.720 42.059 0.031 0.000 1.242 686 L HN 0.307 nan 8.230 nan 0.000 0.404 687 E N 3.133 123.334 120.200 0.001 0.000 2.227 687 E HA 0.381 4.732 4.350 0.000 0.000 0.268 687 E C 0.200 176.761 176.600 -0.066 0.000 0.907 687 E CA -0.809 55.585 56.400 -0.010 0.000 0.786 687 E CB 2.486 32.194 29.700 0.014 0.000 1.191 687 E HN 0.426 nan 8.360 nan 0.000 0.411 688 V N 1.448 121.291 119.914 -0.119 0.000 2.407 688 V HA -0.093 4.027 4.120 0.000 0.000 0.245 688 V C -0.013 175.740 176.094 -0.568 0.000 1.041 688 V CA 1.147 63.244 62.300 -0.339 0.000 1.040 688 V CB -0.313 31.295 31.823 -0.358 0.000 0.671 688 V HN 0.561 nan 8.190 nan 0.000 0.455 689 Y N 0.016 120.329 120.300 0.021 0.000 2.331 689 Y HA 0.451 5.001 4.550 0.000 0.000 0.326 689 Y C 0.603 176.510 175.900 0.012 0.000 1.020 689 Y CA -0.983 57.130 58.100 0.022 0.000 1.136 689 Y CB 1.430 39.899 38.460 0.015 0.000 1.157 689 Y HN 0.039 nan 8.280 nan 0.000 0.444 690 T N -1.176 113.479 114.554 0.169 0.000 2.856 690 T HA 0.108 4.458 4.350 0.000 0.000 0.306 690 T C 1.282 175.963 174.700 -0.031 0.000 1.062 690 T CA -0.593 61.553 62.100 0.077 0.000 1.083 690 T CB 0.950 69.960 68.868 0.236 0.000 0.984 690 T HN 0.901 nan 8.240 nan 0.000 0.542 691 R N 0.644 120.996 120.500 -0.247 0.000 2.193 691 R HA -0.140 4.200 4.340 0.000 0.000 0.229 691 R C 1.527 177.696 176.300 -0.219 0.000 1.110 691 R CA 1.760 57.716 56.100 -0.241 0.000 0.988 691 R CB -0.885 29.245 30.300 -0.282 0.000 0.871 691 R HN 0.901 nan 8.270 nan 0.000 0.458 692 H N 0.726 119.820 119.070 0.040 0.000 2.333 692 H HA 0.031 4.587 4.556 0.000 0.000 0.302 692 H C 1.695 177.043 175.328 0.035 0.000 1.075 692 H CA 1.589 57.656 56.048 0.033 0.000 1.348 692 H CB -0.025 29.757 29.762 0.032 0.000 1.393 692 H HN 0.397 nan 8.280 nan 0.000 0.509 693 E N 1.093 121.393 120.200 0.167 0.000 2.017 693 E HA -0.149 4.201 4.350 0.000 0.000 0.193 693 E C 2.098 178.721 176.600 0.039 0.000 0.997 693 E CA 1.080 57.547 56.400 0.112 0.000 0.804 693 E CB -0.043 29.756 29.700 0.166 0.000 0.757 693 E HN 0.268 nan 8.360 nan 0.000 0.448 694 I N 1.676 122.258 120.570 0.019 0.000 2.147 694 I HA -0.369 3.801 4.170 0.000 0.000 0.245 694 I C 2.484 178.589 176.117 -0.021 0.000 1.059 694 I CA 1.771 63.054 61.300 -0.029 0.000 1.320 694 I CB -0.948 37.040 38.000 -0.019 0.000 1.021 694 I HN 0.172 nan 8.210 nan 0.000 0.415 695 K N 0.609 121.009 120.400 0.000 0.000 2.031 695 K HA -0.230 4.090 4.320 0.000 0.000 0.205 695 K C 1.926 178.535 176.600 0.016 0.000 1.049 695 K CA 1.903 58.196 56.287 0.009 0.000 0.939 695 K CB -0.154 32.359 32.500 0.023 0.000 0.717 695 K HN 0.182 nan 8.250 nan 0.000 0.438 696 D N 0.413 120.831 120.400 0.030 0.000 2.123 696 D HA -0.185 4.455 4.640 0.000 0.000 0.196 696 D C 1.818 178.122 176.300 0.007 0.000 0.992 696 D CA 1.985 56.001 54.000 0.027 0.000 0.833 696 D CB -0.170 40.656 40.800 0.042 0.000 0.954 696 D HN 0.309 nan 8.370 nan 0.000 0.455 697 S N -0.392 115.301 115.700 -0.011 0.000 2.389 697 S HA -0.161 4.310 4.470 0.000 0.000 0.231 697 S C 1.578 176.162 174.600 -0.026 0.000 1.052 697 S CA 1.089 59.269 58.200 -0.035 0.000 1.053 697 S CB -1.725 61.428 63.200 -0.078 0.000 0.886 697 S HN 0.396 nan 8.310 nan 0.000 0.456 698 G N 1.416 110.205 108.800 -0.018 0.000 2.224 698 G HA2 0.291 4.251 3.960 0.000 0.000 0.239 698 G HA3 0.291 4.251 3.960 0.000 0.000 0.239 698 G C 0.496 175.394 174.900 -0.004 0.000 1.240 698 G CA 0.015 45.108 45.100 -0.011 0.000 0.896 698 G HN 0.358 nan 8.290 nan 0.000 0.496 699 L N 2.852 124.071 121.223 -0.006 0.000 2.005 699 L HA 0.200 4.540 4.340 0.000 0.000 0.207 699 L C 1.335 178.209 176.870 0.008 0.000 1.072 699 L CA 1.440 56.279 54.840 -0.002 0.000 0.744 699 L CB -0.333 41.722 42.059 -0.008 0.000 0.895 699 L HN 0.484 nan 8.230 nan 0.000 0.433 700 L N -0.278 120.952 121.223 0.013 0.000 2.331 700 L HA 0.348 4.688 4.340 0.000 0.000 0.275 700 L C -0.891 176.005 176.870 0.044 0.000 1.022 700 L CA -0.613 54.245 54.840 0.029 0.000 0.812 700 L CB 1.562 43.642 42.059 0.035 0.000 1.257 700 L HN 0.020 nan 8.230 nan 0.000 0.435 701 D N 0.574 121.008 120.400 0.057 0.000 2.505 701 D HA 0.062 4.702 4.640 0.000 0.000 0.250 701 D C 0.319 176.687 176.300 0.113 0.000 1.164 701 D CA -0.437 53.609 54.000 0.076 0.000 0.870 701 D CB 1.244 42.073 40.800 0.048 0.000 1.160 701 D HN 0.411 nan 8.370 nan 0.000 0.549 702 Y N 3.367 123.669 120.300 0.003 0.000 2.069 702 Y HA -0.312 4.238 4.550 0.000 0.000 0.278 702 Y C 2.012 177.917 175.900 0.008 0.000 1.175 702 Y CA 2.468 60.572 58.100 0.006 0.000 1.134 702 Y CB -0.601 37.863 38.460 0.008 0.000 0.965 702 Y HN 0.394 nan 8.280 nan 0.000 0.498 703 T N 0.314 114.879 114.554 0.019 0.000 2.597 703 T HA -0.273 4.077 4.350 0.000 0.000 0.267 703 T C 1.701 176.351 174.700 -0.084 0.000 1.053 703 T CA 2.027 64.088 62.100 -0.065 0.000 1.165 703 T CB -0.431 68.442 68.868 0.009 0.000 0.863 703 T HN 0.481 nan 8.240 nan 0.000 0.427 704 E N 0.363 120.545 120.200 -0.031 0.000 2.058 704 E HA -0.114 4.236 4.350 0.000 0.000 0.194 704 E C 2.416 178.990 176.600 -0.043 0.000 0.997 704 E CA 1.157 57.543 56.400 -0.024 0.000 0.801 704 E CB -0.354 29.347 29.700 0.002 0.000 0.746 704 E HN 0.262 nan 8.360 nan 0.000 0.450 705 V N 1.559 121.441 119.914 -0.055 0.000 2.407 705 V HA -0.259 3.862 4.120 0.000 0.000 0.248 705 V C 2.299 178.328 176.094 -0.108 0.000 1.055 705 V CA 1.606 63.872 62.300 -0.058 0.000 1.049 705 V CB -0.422 31.386 31.823 -0.026 0.000 0.662 705 V HN 0.243 nan 8.190 nan 0.000 0.455 706 Q N -0.414 119.257 119.800 -0.215 0.000 2.062 706 Q HA -0.076 4.264 4.340 0.000 0.000 0.196 706 Q C 2.389 178.321 176.000 -0.113 0.000 0.967 706 Q CA 0.957 56.630 55.803 -0.217 0.000 0.832 706 Q CB -0.663 27.848 28.738 -0.378 0.000 0.899 706 Q HN 0.408 nan 8.270 nan 0.000 0.442 707 R N 1.345 121.787 120.500 -0.097 0.000 2.117 707 R HA -0.130 4.210 4.340 0.000 0.000 0.243 707 R C 2.099 178.385 176.300 -0.023 0.000 1.143 707 R CA 1.490 57.560 56.100 -0.051 0.000 0.968 707 R CB -0.162 30.114 30.300 -0.040 0.000 0.863 707 R HN 0.218 nan 8.270 nan 0.000 0.444 708 R N -0.133 120.358 120.500 -0.015 0.000 2.051 708 R HA -0.044 4.296 4.340 0.000 0.000 0.225 708 R C 1.876 178.206 176.300 0.050 0.000 1.155 708 R CA 1.270 57.382 56.100 0.020 0.000 0.945 708 R CB -0.277 30.038 30.300 0.026 0.000 0.840 708 R HN 0.174 nan 8.270 nan 0.000 0.432 709 N N 1.226 119.943 118.700 0.029 0.000 2.137 709 N HA -0.198 4.542 4.740 0.000 0.000 0.190 709 N C 1.611 177.163 175.510 0.069 0.000 1.017 709 N CA 1.499 54.575 53.050 0.044 0.000 0.859 709 N CB -0.216 38.265 38.487 -0.011 0.000 1.002 709 N HN 0.442 nan 8.380 nan 0.000 0.428 710 Q N -0.165 119.652 119.800 0.029 0.000 2.435 710 Q HA 0.107 4.447 4.340 0.000 0.000 0.207 710 Q C 1.664 177.698 176.000 0.057 0.000 0.956 710 Q CA 0.216 56.039 55.803 0.033 0.000 0.917 710 Q CB 0.152 28.886 28.738 -0.007 0.000 0.997 710 Q HN 0.387 nan 8.270 nan 0.000 0.497 711 L N -0.517 120.744 121.223 0.064 0.000 2.492 711 L HA -0.097 4.244 4.340 0.000 0.000 0.223 711 L C 2.042 178.964 176.870 0.086 0.000 1.132 711 L CA 0.297 55.164 54.840 0.045 0.000 0.850 711 L CB -0.264 41.801 42.059 0.010 0.000 0.966 711 L HN 0.300 nan 8.230 nan 0.000 0.454 712 H N 0.878 119.998 119.070 0.082 0.000 2.260 712 H HA -0.297 4.259 4.556 0.000 0.000 0.288 712 H C 1.792 177.224 175.328 0.173 0.000 1.094 712 H CA 2.512 58.676 56.048 0.194 0.000 1.197 712 H CB 0.098 29.953 29.762 0.154 0.000 1.346 712 H HN 0.206 nan 8.280 nan 0.000 0.486 713 D N -0.409 120.087 120.400 0.161 0.000 2.219 713 D HA -0.095 4.545 4.640 0.000 0.000 0.205 713 D C 2.442 178.738 176.300 -0.006 0.000 0.970 713 D CA 0.775 54.820 54.000 0.076 0.000 0.851 713 D CB -0.123 40.740 40.800 0.105 0.000 0.943 713 D HN 0.418 nan 8.370 nan 0.000 0.488 714 L N 0.124 121.332 121.223 -0.025 0.000 2.005 714 L HA -0.098 4.242 4.340 0.000 0.000 0.207 714 L C 2.611 179.396 176.870 -0.142 0.000 1.072 714 L CA 1.055 55.856 54.840 -0.065 0.000 0.744 714 L CB -0.233 41.792 42.059 -0.056 0.000 0.895 714 L HN -0.087 nan 8.230 nan 0.000 0.433 715 R N -0.308 120.045 120.500 -0.245 0.000 2.070 715 R HA -0.118 4.222 4.340 0.000 0.000 0.232 715 R C 1.919 177.902 176.300 -0.528 0.000 1.138 715 R CA 1.653 57.454 56.100 -0.497 0.000 0.936 715 R CB -0.355 29.434 30.300 -0.852 0.000 0.839 715 R HN 0.212 nan 8.270 nan 0.000 0.429 716 F N -0.337 119.479 119.950 -0.223 0.000 2.727 716 F HA 0.373 4.900 4.527 0.000 0.000 0.302 716 F C 0.625 176.332 175.800 -0.154 0.000 1.097 716 F CA -0.439 57.426 58.000 -0.226 0.000 1.330 716 F CB 0.747 39.512 39.000 -0.392 0.000 1.084 716 F HN 0.043 nan 8.300 nan 0.000 0.578 717 A N -0.995 121.827 122.820 0.004 0.000 2.583 717 A HA 0.514 4.834 4.320 0.000 0.000 0.289 717 A C -1.657 175.926 177.584 -0.001 0.000 1.151 717 A CA -0.669 51.379 52.037 0.018 0.000 0.695 717 A CB 1.051 20.074 19.000 0.039 0.000 1.290 717 A HN -0.094 nan 8.150 nan 0.000 0.419 718 D N -0.159 120.245 120.400 0.006 0.000 2.233 718 D HA 0.565 5.206 4.640 0.000 0.000 0.240 718 D C 0.066 176.367 176.300 0.003 0.000 1.074 718 D CA -0.129 53.871 54.000 -0.001 0.000 0.838 718 D CB 1.202 42.002 40.800 -0.000 0.000 1.124 718 D HN 0.247 nan 8.370 nan 0.000 0.475 719 I N 1.757 122.326 120.570 -0.001 0.000 4.035 719 I HA 0.117 4.287 4.170 0.000 0.000 0.321 719 I C 1.335 177.453 176.117 0.003 0.000 1.289 719 I CA 0.166 61.469 61.300 0.004 0.000 1.236 719 I CB 0.326 38.327 38.000 0.002 0.000 1.076 719 I HN 0.282 nan 8.210 nan 0.000 0.418 720 D N -0.480 119.920 120.400 0.000 0.000 2.473 720 D HA 0.114 4.754 4.640 0.000 0.000 0.242 720 D C 0.460 176.761 176.300 0.001 0.000 1.106 720 D CA 0.355 54.356 54.000 0.002 0.000 0.854 720 D CB 0.605 41.407 40.800 0.004 0.000 1.192 720 D HN 0.106 nan 8.370 nan 0.000 0.503 721 T N 1.775 116.327 114.554 -0.003 0.000 2.902 721 T HA 0.226 4.576 4.350 0.000 0.000 0.301 721 T C 0.199 174.881 174.700 -0.030 0.000 1.012 721 T CA 0.287 62.382 62.100 -0.008 0.000 1.151 721 T CB 1.479 70.343 68.868 -0.008 0.000 0.946 721 T HN -0.226 nan 8.240 nan 0.000 0.542 722 V N 4.903 124.789 119.914 -0.047 0.000 2.686 722 V HA 0.534 4.655 4.120 0.000 0.000 0.306 722 V C -0.462 175.465 176.094 -0.279 0.000 1.065 722 V CA -0.958 61.253 62.300 -0.148 0.000 0.894 722 V CB 1.764 33.506 31.823 -0.135 0.000 1.004 722 V HN 0.687 nan 8.190 nan 0.000 0.424 723 I N 3.380 123.728 120.570 -0.369 0.000 2.863 723 I HA 0.744 4.914 4.170 0.000 0.000 0.311 723 I C -0.211 175.538 176.117 -0.613 0.000 1.026 723 I CA -0.360 60.730 61.300 -0.349 0.000 1.077 723 I CB 1.673 39.607 38.000 -0.111 0.000 1.262 723 I HN 0.691 nan 8.210 nan 0.000 0.461 724 H N 0.000 119.076 119.070 0.010 0.000 2.539 724 H HA 0.000 4.556 4.556 0.000 0.000 0.296 724 H CA 0.000 56.054 56.048 0.010 0.000 1.023 724 H CB 0.000 29.767 29.762 0.009 0.000 1.292 724 H HN 0.000 nan 8.280 nan 0.000 0.496