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 2gum_1_C DATA FIRST_RESID 109 DATA SEQUENCE TDANFYVcPP PTGATVVQFE QPRRcPTRPE GQNYTEGIAV VFKENIAPYK DATA SEQUENCE FKATMYYKDV TVSQVWFGHR YSQFMGIFED RAPVPFEEVI DKINAKGVcR DATA SEQUENCE STAKYVRNNL ETTAFHRDDH ETDMELKPAN AATRTSRGWH TTDLKYNPSR DATA SEQUENCE VEAFHRYGTT VNcIVEEVDA RSVYPYDEFV LATGDFVYMS PFYGYREGSH DATA SEQUENCE TEHTTYAADR FKQVDGFYAX XXXXXXXXTA PTTRNLLTTP KFTVAWDWVP DATA SEQUENCE KRPSVcTMTK WQEVDEMLRS EYGGSFRFSS DAISTTFTTN LTEYPLSRVD DATA SEQUENCE LGDcIGKDAR DAMDRIFARR YNATHIKVGQ PQYYQANGGF LIAYQPLLSN DATA SEQUENCE TXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXSVERIKTT SSIEFARLQF DATA SEQUENCE TYNHIQRHVN DMLGRVAIAW cELQNHELTL WNEARKLNPN AIASVTVGRR DATA SEQUENCE VSARMLGDVM AVSTcVPVAA DNVIVQNSMR ISSRPGAcYS RPLVSFRYED DATA SEQUENCE QGPLVEGQLG ENNELRLTRD AIEPcTVGHR RYFTFGGGYV YFEEYAYSHQ DATA SEQUENCE LSRADITTVS TFIDLNITML EDHEFVPLEV YTRHEIKDSG LLDYTEVQRR DATA SEQUENCE NQLHDLRFAD IDTVI 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 109 T HA 0.000 nan 4.350 nan 0.000 0.228 109 T C 0.000 174.688 174.700 -0.020 0.000 1.109 109 T CA 0.000 62.088 62.100 -0.019 0.000 1.349 109 T CB 0.000 68.844 68.868 -0.041 0.000 0.612 110 D N 0.555 120.938 120.400 -0.029 0.000 2.197 110 D HA 0.379 5.019 4.640 -0.001 0.000 0.212 110 D C 1.334 177.604 176.300 -0.051 0.000 0.963 110 D CA 1.591 55.584 54.000 -0.012 0.000 0.864 110 D CB -0.332 40.487 40.800 0.031 0.000 1.009 110 D HN 1.578 nan 8.370 nan 0.000 0.479 111 A N 0.418 123.172 122.820 -0.109 0.000 2.303 111 A HA -0.168 4.152 4.320 -0.001 0.000 0.286 111 A C -0.084 177.405 177.584 -0.158 0.000 1.429 111 A CA 0.983 52.934 52.037 -0.144 0.000 0.738 111 A CB -1.992 16.960 19.000 -0.080 0.000 1.149 111 A HN 0.505 nan 8.150 nan 0.000 0.364 112 N N -0.607 117.931 118.700 -0.271 0.000 3.134 112 N HA 0.491 5.230 4.740 -0.001 0.000 0.235 112 N C -1.114 174.085 175.510 -0.519 0.000 1.092 112 N CA -0.372 52.495 53.050 -0.305 0.000 1.038 112 N CB 0.622 38.933 38.487 -0.293 0.000 1.684 112 N HN 0.184 nan 8.380 nan 0.000 0.551 113 F N 1.981 121.657 119.950 -0.457 0.000 2.380 113 F HA 0.559 5.086 4.527 -0.000 0.000 0.321 113 F C -0.116 175.311 175.800 -0.623 0.000 1.103 113 F CA 0.107 57.868 58.000 -0.398 0.000 1.067 113 F CB 0.799 39.606 39.000 -0.322 0.000 1.265 113 F HN 0.305 nan 8.300 nan 0.000 0.517 114 Y N -0.214 120.115 120.300 0.049 0.000 2.457 114 Y HA 0.569 5.119 4.550 -0.001 0.000 0.343 114 Y C -0.873 174.997 175.900 -0.050 0.000 0.994 114 Y CA -1.217 56.880 58.100 -0.006 0.000 1.031 114 Y CB 1.791 40.248 38.460 -0.005 0.000 1.246 114 Y HN 0.130 nan 8.280 nan 0.000 0.449 115 V N 2.427 122.410 119.914 0.114 0.000 2.398 115 V HA 0.331 4.450 4.120 -0.001 0.000 0.286 115 V C -0.680 175.503 176.094 0.148 0.000 1.026 115 V CA -0.694 61.648 62.300 0.070 0.000 0.868 115 V CB 1.102 32.981 31.823 0.094 0.000 0.982 115 V HN 0.906 nan 8.190 nan 0.000 0.443 116 c N 6.959 125.628 118.600 0.115 0.000 2.301 116 c HA 0.456 5.026 4.570 -0.001 0.000 0.313 116 c C -2.103 172.041 174.090 0.090 0.000 1.121 116 c CA -1.420 54.967 56.329 0.098 0.000 1.507 116 c CB 0.247 42.796 42.510 0.066 0.000 1.975 116 c HN 0.672 nan 8.230 nan 0.000 0.425 117 P HA 0.171 nan 4.420 nan 0.000 0.268 117 P C -2.532 174.804 177.300 0.060 0.000 1.208 117 P CA -0.602 62.548 63.100 0.082 0.000 0.777 117 P CB -0.078 31.668 31.700 0.076 0.000 0.875 118 P HA 0.099 nan 4.420 nan 0.000 0.264 118 P C -2.319 175.001 177.300 0.033 0.000 1.193 118 P CA -0.500 62.624 63.100 0.040 0.000 0.763 118 P CB -0.674 31.048 31.700 0.037 0.000 0.810 119 P HA 0.146 nan 4.420 nan 0.000 0.275 119 P C -0.365 176.945 177.300 0.016 0.000 1.227 119 P CA -0.024 63.089 63.100 0.021 0.000 0.781 119 P CB 0.483 32.193 31.700 0.017 0.000 0.906 120 T N -1.999 112.564 114.554 0.014 0.000 2.912 120 T HA 0.454 4.804 4.350 -0.001 0.000 0.288 120 T C 1.508 176.212 174.700 0.007 0.000 1.030 120 T CA -0.523 61.584 62.100 0.011 0.000 1.020 120 T CB 1.473 70.348 68.868 0.011 0.000 1.056 120 T HN 0.379 nan 8.240 nan 0.000 0.480 121 G N 0.432 109.234 108.800 0.004 0.000 2.549 121 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.222 121 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.222 121 G C 1.638 176.539 174.900 0.002 0.000 1.100 121 G CA 0.933 46.034 45.100 0.001 0.000 0.739 121 G HN 1.265 nan 8.290 nan 0.000 0.577 122 A N -0.541 122.282 122.820 0.005 0.000 1.935 122 A HA -0.125 4.194 4.320 -0.001 0.000 0.224 122 A C 1.486 179.073 177.584 0.005 0.000 1.324 122 A CA 2.261 54.301 52.037 0.006 0.000 0.686 122 A CB -0.715 18.290 19.000 0.008 0.000 0.837 122 A HN 0.428 nan 8.150 nan 0.000 0.481 123 T N -1.276 113.281 114.554 0.005 0.000 2.879 123 T HA 0.575 4.925 4.350 -0.001 0.000 0.290 123 T C -0.932 173.769 174.700 0.001 0.000 0.993 123 T CA -0.430 61.673 62.100 0.005 0.000 0.975 123 T CB 1.876 70.749 68.868 0.008 0.000 0.981 123 T HN 0.187 nan 8.240 nan 0.000 0.439 124 V N 3.335 123.247 119.914 -0.002 0.000 2.823 124 V HA 0.868 4.987 4.120 -0.001 0.000 0.312 124 V C -0.350 175.739 176.094 -0.009 0.000 1.072 124 V CA -0.757 61.537 62.300 -0.010 0.000 0.937 124 V CB 2.097 33.911 31.823 -0.015 0.000 1.013 124 V HN 0.869 nan 8.190 nan 0.000 0.430 125 V N 2.262 122.165 119.914 -0.019 0.000 3.130 125 V HA 0.863 4.982 4.120 -0.001 0.000 0.310 125 V C -1.132 174.934 176.094 -0.047 0.000 1.158 125 V CA -0.592 61.702 62.300 -0.009 0.000 1.029 125 V CB 2.005 33.842 31.823 0.024 0.000 1.057 125 V HN 1.040 nan 8.190 nan 0.000 0.436 126 Q N 1.820 121.612 119.800 -0.013 0.000 2.456 126 Q HA 0.582 4.921 4.340 -0.001 0.000 0.283 126 Q C -1.649 174.420 176.000 0.116 0.000 1.084 126 Q CA -0.855 54.919 55.803 -0.049 0.000 0.801 126 Q CB 2.671 31.396 28.738 -0.021 0.000 1.434 126 Q HN 0.744 nan 8.270 nan 0.000 0.419 127 F N 0.784 120.728 119.950 -0.011 0.000 2.389 127 F HA 0.207 4.734 4.527 -0.001 0.000 0.337 127 F C 0.966 176.749 175.800 -0.028 0.000 1.112 127 F CA -0.868 57.115 58.000 -0.028 0.000 1.192 127 F CB 1.266 40.256 39.000 -0.017 0.000 1.185 127 F HN 0.656 nan 8.300 nan 0.000 0.552 128 E N 2.532 122.815 120.200 0.138 0.000 2.384 128 E HA -0.011 4.338 4.350 -0.001 0.000 0.266 128 E C -0.457 176.178 176.600 0.058 0.000 1.012 128 E CA -0.736 55.699 56.400 0.057 0.000 0.901 128 E CB 0.730 30.430 29.700 -0.001 0.000 0.967 128 E HN 0.447 nan 8.360 nan 0.000 0.435 129 Q N 2.987 122.816 119.800 0.048 0.000 2.318 129 Q HA 0.312 4.652 4.340 -0.001 0.000 0.222 129 Q C -2.137 173.878 176.000 0.026 0.000 1.003 129 Q CA -1.939 53.891 55.803 0.045 0.000 0.936 129 Q CB -0.084 28.679 28.738 0.041 0.000 1.204 129 Q HN 0.497 nan 8.270 nan 0.000 0.524 130 P HA -0.051 nan 4.420 nan 0.000 0.263 130 P C -0.514 176.795 177.300 0.016 0.000 1.175 130 P CA 0.674 63.786 63.100 0.019 0.000 0.761 130 P CB 0.456 32.172 31.700 0.027 0.000 0.794 131 R N 2.149 122.656 120.500 0.012 0.000 2.500 131 R HA 0.384 4.724 4.340 -0.001 0.000 0.277 131 R C 0.495 176.805 176.300 0.016 0.000 1.026 131 R CA -0.907 55.202 56.100 0.014 0.000 1.058 131 R CB 0.885 31.195 30.300 0.017 0.000 1.078 131 R HN 0.402 nan 8.270 nan 0.000 0.509 132 R N 1.673 122.183 120.500 0.016 0.000 2.316 132 R HA 0.107 4.447 4.340 -0.001 0.000 0.314 132 R C -0.799 175.511 176.300 0.017 0.000 1.069 132 R CA -0.181 55.928 56.100 0.015 0.000 0.959 132 R CB 0.271 30.578 30.300 0.012 0.000 0.987 132 R HN 0.581 nan 8.270 nan 0.000 0.446 133 c N 6.524 125.134 118.600 0.017 0.000 2.534 133 c HA 0.368 4.938 4.570 -0.001 0.000 0.385 133 c C -1.664 172.436 174.090 0.016 0.000 1.264 133 c CA -1.144 55.197 56.329 0.021 0.000 2.342 133 c CB 0.351 42.873 42.510 0.019 0.000 2.564 133 c HN 0.742 nan 8.230 nan 0.000 0.603 134 P HA 0.264 nan 4.420 nan 0.000 0.271 134 P C -0.236 177.067 177.300 0.005 0.000 1.233 134 P CA 0.106 63.212 63.100 0.010 0.000 0.789 134 P CB 0.333 32.038 31.700 0.009 0.000 0.951 135 T N -1.851 112.703 114.554 0.000 0.000 2.912 135 T HA 0.509 4.859 4.350 -0.001 0.000 0.288 135 T C -0.065 174.630 174.700 -0.008 0.000 1.030 135 T CA -1.174 60.925 62.100 -0.003 0.000 1.020 135 T CB 1.134 70.001 68.868 -0.002 0.000 1.056 135 T HN 0.161 nan 8.240 nan 0.000 0.480 136 R N 1.978 122.471 120.500 -0.011 0.000 2.442 136 R HA 0.330 4.669 4.340 -0.001 0.000 0.291 136 R C -2.096 174.193 176.300 -0.019 0.000 1.069 136 R CA -1.152 54.937 56.100 -0.018 0.000 1.022 136 R CB -0.177 30.112 30.300 -0.019 0.000 0.976 136 R HN 0.530 nan 8.270 nan 0.000 0.443 137 P HA -0.094 nan 4.420 nan 0.000 0.269 137 P C 0.292 177.578 177.300 -0.023 0.000 1.211 137 P CA 0.068 63.151 63.100 -0.028 0.000 0.781 137 P CB 0.579 32.253 31.700 -0.044 0.000 0.877 138 E N 0.978 121.166 120.200 -0.020 0.000 2.065 138 E HA -0.088 4.261 4.350 -0.001 0.000 0.201 138 E C 0.646 177.237 176.600 -0.016 0.000 1.016 138 E CA 1.434 57.826 56.400 -0.014 0.000 0.818 138 E CB -0.393 29.300 29.700 -0.011 0.000 0.749 138 E HN 0.761 nan 8.360 nan 0.000 0.453 139 G N 0.954 109.737 108.800 -0.029 0.000 3.226 139 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.685 139 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.685 139 G C -0.825 174.050 174.900 -0.042 0.000 1.207 139 G CA -0.839 44.249 45.100 -0.020 0.000 0.877 139 G HN -0.056 nan 8.290 nan 0.000 0.585 140 Q N 0.487 120.246 119.800 -0.069 0.000 2.330 140 Q HA 0.145 4.485 4.340 -0.001 0.000 0.279 140 Q C 0.435 176.258 176.000 -0.295 0.000 1.024 140 Q CA 0.338 55.999 55.803 -0.236 0.000 0.900 140 Q CB 0.544 29.049 28.738 -0.388 0.000 1.221 140 Q HN 0.558 nan 8.270 nan 0.000 0.396 141 N N 2.398 120.895 118.700 -0.339 0.000 2.422 141 N HA 0.257 4.997 4.740 -0.001 0.000 0.266 141 N C -1.339 173.960 175.510 -0.350 0.000 1.007 141 N CA -0.112 52.817 53.050 -0.203 0.000 0.941 141 N CB 0.602 39.038 38.487 -0.085 0.000 1.115 141 N HN 0.282 nan 8.380 nan 0.000 0.492 142 Y N 0.088 120.405 120.300 0.029 0.000 2.377 142 Y HA 0.399 4.949 4.550 -0.001 0.000 0.339 142 Y C 0.486 176.412 175.900 0.042 0.000 1.011 142 Y CA -0.841 57.274 58.100 0.025 0.000 1.093 142 Y CB 1.590 40.068 38.460 0.031 0.000 1.201 142 Y HN 0.270 nan 8.280 nan 0.000 0.455 143 T N 3.784 118.439 114.554 0.168 0.000 2.744 143 T HA 0.220 4.569 4.350 -0.001 0.000 0.291 143 T C -0.255 174.567 174.700 0.203 0.000 0.957 143 T CA -0.848 61.345 62.100 0.154 0.000 1.002 143 T CB 0.210 69.153 68.868 0.124 0.000 0.919 143 T HN 0.522 nan 8.240 nan 0.000 0.468 144 E N 1.484 121.786 120.200 0.171 0.000 2.366 144 E HA 0.542 4.891 4.350 -0.001 0.000 0.266 144 E C 0.412 177.061 176.600 0.082 0.000 1.051 144 E CA -0.515 55.967 56.400 0.138 0.000 0.884 144 E CB 1.003 30.769 29.700 0.109 0.000 1.006 144 E HN 0.779 nan 8.360 nan 0.000 0.417 145 G N 1.236 110.063 108.800 0.045 0.000 2.576 145 G HA2 0.463 4.423 3.960 -0.001 0.000 0.290 145 G HA3 0.463 4.423 3.960 -0.001 0.000 0.290 145 G C -1.327 173.481 174.900 -0.155 0.000 1.442 145 G CA -0.855 44.106 45.100 -0.232 0.000 0.792 145 G HN 0.371 nan 8.290 nan 0.000 0.491 146 I N 0.572 120.948 120.570 -0.323 0.000 2.460 146 I HA 0.704 4.874 4.170 -0.001 0.000 0.298 146 I C 0.479 176.586 176.117 -0.017 0.000 0.989 146 I CA -0.703 60.529 61.300 -0.113 0.000 1.173 146 I CB 2.013 39.942 38.000 -0.119 0.000 1.338 146 I HN 0.756 nan 8.210 nan 0.000 0.456 147 A N 5.160 128.039 122.820 0.098 0.000 2.515 147 A HA 0.905 5.225 4.320 -0.001 0.000 0.296 147 A C -1.406 176.200 177.584 0.036 0.000 1.094 147 A CA -0.548 51.569 52.037 0.134 0.000 0.718 147 A CB 1.993 21.129 19.000 0.227 0.000 1.307 147 A HN 0.387 nan 8.150 nan 0.000 0.408 148 V N 1.145 121.081 119.914 0.036 0.000 2.569 148 V HA 0.465 4.585 4.120 -0.001 0.000 0.301 148 V C -0.682 175.407 176.094 -0.007 0.000 1.044 148 V CA -0.533 61.754 62.300 -0.020 0.000 0.874 148 V CB 1.598 33.464 31.823 0.071 0.000 1.002 148 V HN 0.733 nan 8.190 nan 0.000 0.424 149 V N 5.126 124.953 119.914 -0.144 0.000 2.472 149 V HA 0.604 4.724 4.120 -0.001 0.000 0.290 149 V C -0.616 175.468 176.094 -0.018 0.000 1.037 149 V CA -0.431 61.854 62.300 -0.025 0.000 0.908 149 V CB 1.469 33.241 31.823 -0.085 0.000 0.985 149 V HN 0.643 nan 8.190 nan 0.000 0.454 150 F N 3.161 123.228 119.950 0.194 0.000 2.538 150 F HA 0.732 5.259 4.527 -0.001 0.000 0.325 150 F C 0.266 176.190 175.800 0.206 0.000 1.066 150 F CA -0.826 57.295 58.000 0.202 0.000 0.946 150 F CB 2.021 41.089 39.000 0.114 0.000 1.199 150 F HN 0.480 nan 8.300 nan 0.000 0.473 151 K N 0.001 120.575 120.400 0.291 0.000 2.400 151 K HA 0.459 4.778 4.320 -0.001 0.000 0.246 151 K C -0.953 175.655 176.600 0.014 0.000 0.995 151 K CA -1.039 55.283 56.287 0.059 0.000 0.840 151 K CB 2.121 34.566 32.500 -0.092 0.000 1.293 151 K HN 0.649 nan 8.250 nan 0.000 0.445 152 E N 1.605 121.746 120.200 -0.099 0.000 2.465 152 E HA -0.103 4.246 4.350 -0.001 0.000 0.260 152 E C -0.772 175.808 176.600 -0.034 0.000 0.980 152 E CA -0.208 56.144 56.400 -0.079 0.000 0.927 152 E CB 0.484 30.103 29.700 -0.135 0.000 0.934 152 E HN 0.526 nan 8.360 nan 0.000 0.459 153 N N 4.539 123.245 118.700 0.011 0.000 2.430 153 N HA 0.039 4.779 4.740 -0.001 0.000 0.265 153 N C 0.424 175.954 175.510 0.034 0.000 1.100 153 N CA -0.109 52.969 53.050 0.047 0.000 0.961 153 N CB 0.560 39.106 38.487 0.099 0.000 1.075 153 N HN 0.615 nan 8.380 nan 0.000 0.478 154 I N 0.255 120.842 120.570 0.028 0.000 4.018 154 I HA 0.503 4.673 4.170 -0.001 0.000 0.337 154 I C 0.321 176.468 176.117 0.050 0.000 1.327 154 I CA -0.649 60.664 61.300 0.022 0.000 1.100 154 I CB 0.256 38.253 38.000 -0.005 0.000 1.025 154 I HN 0.312 nan 8.210 nan 0.000 0.396 155 A N 2.671 125.536 122.820 0.074 0.000 2.331 155 A HA 0.684 5.004 4.320 -0.001 0.000 0.283 155 A C -2.433 175.235 177.584 0.140 0.000 1.142 155 A CA -1.173 50.916 52.037 0.086 0.000 0.812 155 A CB -0.285 18.765 19.000 0.084 0.000 1.074 155 A HN 0.116 nan 8.150 nan 0.000 0.497 156 P HA 0.161 nan 4.420 nan 0.000 0.274 156 P C -0.734 176.729 177.300 0.271 0.000 1.246 156 P CA -0.148 63.076 63.100 0.207 0.000 0.795 156 P CB 0.252 32.026 31.700 0.123 0.000 1.006 157 Y N 1.853 122.327 120.300 0.290 0.000 2.442 157 Y HA 0.191 4.740 4.550 -0.001 0.000 0.330 157 Y C 0.002 176.024 175.900 0.204 0.000 1.129 157 Y CA 0.338 58.587 58.100 0.248 0.000 1.365 157 Y CB 0.323 38.950 38.460 0.278 0.000 1.233 157 Y HN 0.180 nan 8.280 nan 0.000 0.529 158 K N 7.753 127.874 120.400 -0.466 0.000 2.324 158 K HA 0.564 4.884 4.320 -0.001 0.000 0.253 158 K C -1.643 174.660 176.600 -0.495 0.000 0.932 158 K CA -0.704 55.338 56.287 -0.409 0.000 0.799 158 K CB 1.988 34.356 32.500 -0.220 0.000 1.154 158 K HN 0.625 nan 8.250 nan 0.000 0.425 159 F N -1.397 118.226 119.950 -0.546 0.000 2.693 159 F HA 0.509 5.036 4.527 -0.001 0.000 0.309 159 F C -1.101 174.558 175.800 -0.235 0.000 1.129 159 F CA -1.423 56.344 58.000 -0.388 0.000 0.948 159 F CB 1.132 39.889 39.000 -0.405 0.000 1.315 159 F HN 0.113 nan 8.300 nan 0.000 0.447 160 K N 1.568 121.947 120.400 -0.035 0.000 2.144 160 K HA 0.823 5.143 4.320 -0.001 0.000 0.270 160 K C -0.681 175.940 176.600 0.036 0.000 1.005 160 K CA -0.642 55.601 56.287 -0.074 0.000 0.932 160 K CB 1.667 34.180 32.500 0.022 0.000 1.021 160 K HN 0.892 nan 8.250 nan 0.000 0.462 161 A N 1.233 124.034 122.820 -0.032 0.000 2.566 161 A HA 0.670 4.989 4.320 -0.001 0.000 0.292 161 A C -1.128 176.501 177.584 0.075 0.000 1.112 161 A CA -0.687 51.412 52.037 0.103 0.000 0.707 161 A CB 1.938 20.931 19.000 -0.011 0.000 1.302 161 A HN 0.538 nan 8.150 nan 0.000 0.409 162 T N 1.571 116.198 114.554 0.122 0.000 2.881 162 T HA 0.577 4.927 4.350 -0.001 0.000 0.290 162 T C -0.445 174.137 174.700 -0.196 0.000 1.000 162 T CA -0.209 61.858 62.100 -0.056 0.000 0.978 162 T CB 1.058 69.891 68.868 -0.059 0.000 0.997 162 T HN 0.561 nan 8.240 nan 0.000 0.443 163 M N 2.987 122.406 119.600 -0.302 0.000 2.363 163 M HA 0.499 4.979 4.480 -0.001 0.000 0.343 163 M C -1.448 174.602 176.300 -0.417 0.000 1.165 163 M CA -0.641 54.545 55.300 -0.191 0.000 1.046 163 M CB 1.324 33.891 32.600 -0.054 0.000 1.648 163 M HN 0.623 nan 8.290 nan 0.000 0.452 164 Y N 3.132 123.574 120.300 0.236 0.000 2.327 164 Y HA 0.530 5.079 4.550 -0.001 0.000 0.325 164 Y C -0.810 175.226 175.900 0.226 0.000 0.999 164 Y CA -0.924 57.249 58.100 0.122 0.000 1.195 164 Y CB 0.948 39.472 38.460 0.106 0.000 1.132 164 Y HN 0.632 nan 8.280 nan 0.000 0.455 165 Y N -0.686 119.729 120.300 0.191 0.000 2.725 165 Y HA 0.783 5.332 4.550 -0.001 0.000 0.333 165 Y C -1.969 173.967 175.900 0.060 0.000 1.242 165 Y CA -2.089 56.084 58.100 0.121 0.000 1.059 165 Y CB 1.547 40.083 38.460 0.127 0.000 1.306 165 Y HN 0.284 nan 8.280 nan 0.000 0.454 166 K N 1.125 121.655 120.400 0.218 0.000 2.443 166 K HA 0.301 4.621 4.320 -0.001 0.000 0.252 166 K C -1.962 174.738 176.600 0.166 0.000 0.933 166 K CA -0.998 55.347 56.287 0.097 0.000 0.792 166 K CB 2.033 34.552 32.500 0.031 0.000 1.185 166 K HN 0.567 nan 8.250 nan 0.000 0.425 167 D N 2.336 122.825 120.400 0.148 0.000 2.325 167 D HA 0.131 4.771 4.640 -0.001 0.000 0.251 167 D C -0.646 175.699 176.300 0.075 0.000 1.196 167 D CA -0.010 54.059 54.000 0.116 0.000 0.866 167 D CB 1.191 42.055 40.800 0.107 0.000 1.101 167 D HN 0.049 nan 8.370 nan 0.000 0.476 168 V N 3.132 123.072 119.914 0.043 0.000 2.417 168 V HA 0.439 4.558 4.120 -0.001 0.000 0.291 168 V C 0.337 176.452 176.094 0.035 0.000 1.024 168 V CA -0.405 61.947 62.300 0.087 0.000 0.861 168 V CB 1.944 33.856 31.823 0.148 0.000 0.985 168 V HN 0.462 nan 8.190 nan 0.000 0.436 169 T N 4.046 118.670 114.554 0.117 0.000 2.928 169 T HA 0.466 4.816 4.350 -0.001 0.000 0.296 169 T C -0.951 173.886 174.700 0.228 0.000 1.000 169 T CA -0.394 61.770 62.100 0.106 0.000 0.989 169 T CB 1.812 70.727 68.868 0.079 0.000 1.005 169 T HN 0.495 nan 8.240 nan 0.000 0.442 170 V N 4.505 124.596 119.914 0.296 0.000 2.376 170 V HA 0.693 4.813 4.120 -0.001 0.000 0.287 170 V C -0.087 176.216 176.094 0.348 0.000 1.015 170 V CA -0.453 62.068 62.300 0.368 0.000 0.834 170 V CB 1.092 33.177 31.823 0.437 0.000 1.001 170 V HN 1.026 nan 8.190 nan 0.000 0.428 171 S N 5.174 121.051 115.700 0.294 0.000 2.617 171 S HA 0.621 5.091 4.470 -0.001 0.000 0.283 171 S C -0.484 174.244 174.600 0.212 0.000 1.189 171 S CA -0.612 57.740 58.200 0.253 0.000 1.036 171 S CB 1.741 65.109 63.200 0.281 0.000 1.014 171 S HN 0.891 nan 8.310 nan 0.000 0.522 172 Q N 1.477 121.358 119.800 0.135 0.000 2.333 172 Q HA 0.601 4.940 4.340 -0.001 0.000 0.268 172 Q C -1.898 174.076 176.000 -0.043 0.000 1.007 172 Q CA -0.683 55.018 55.803 -0.170 0.000 0.810 172 Q CB 1.474 30.105 28.738 -0.178 0.000 1.264 172 Q HN 0.689 nan 8.270 nan 0.000 0.452 173 V N 4.284 124.066 119.914 -0.219 0.000 2.531 173 V HA 0.374 4.493 4.120 -0.001 0.000 0.301 173 V C -1.193 174.568 176.094 -0.556 0.000 1.034 173 V CA -0.803 61.239 62.300 -0.430 0.000 0.865 173 V CB 1.466 32.843 31.823 -0.742 0.000 0.995 173 V HN 0.796 nan 8.190 nan 0.000 0.424 174 W N 5.932 126.862 121.300 -0.615 0.000 2.314 174 W HA 0.646 5.306 4.660 -0.001 0.000 0.310 174 W C -0.738 175.374 176.519 -0.677 0.000 1.075 174 W CA -1.345 55.637 57.345 -0.605 0.000 1.253 174 W CB 1.047 30.210 29.460 -0.496 0.000 1.238 174 W HN 0.474 nan 8.180 nan 0.000 0.440 175 F N 6.180 125.624 119.950 -0.843 0.000 2.405 175 F HA 0.370 4.896 4.527 -0.001 0.000 0.358 175 F C 1.318 176.415 175.800 -1.172 0.000 1.151 175 F CA -0.187 57.330 58.000 -0.804 0.000 1.161 175 F CB -0.114 38.572 39.000 -0.524 0.000 1.245 175 F HN 0.424 nan 8.300 nan 0.000 0.545 176 G N 0.935 109.099 108.800 -1.061 0.000 2.525 176 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.276 176 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.276 176 G C 0.571 175.195 174.900 -0.460 0.000 1.388 176 G CA -0.047 44.448 45.100 -1.009 0.000 1.050 176 G HN 0.692 nan 8.290 nan 0.000 0.520 177 H N -0.482 118.439 119.070 -0.249 0.000 2.329 177 H HA 0.012 4.568 4.556 -0.001 0.000 0.306 177 H C 2.561 177.856 175.328 -0.055 0.000 1.062 177 H CA 1.908 57.890 56.048 -0.110 0.000 1.364 177 H CB 0.135 29.889 29.762 -0.013 0.000 1.409 177 H HN 0.470 nan 8.280 nan 0.000 0.519 178 R N -0.801 119.677 120.500 -0.037 0.000 2.237 178 R HA 0.111 4.451 4.340 -0.001 0.000 0.195 178 R C -0.100 176.249 176.300 0.082 0.000 0.956 178 R CA 0.336 56.416 56.100 -0.034 0.000 1.029 178 R CB 0.070 30.436 30.300 0.110 0.000 0.972 178 R HN 0.455 nan 8.270 nan 0.000 0.493 179 Y N -1.493 118.781 120.300 -0.043 0.000 2.790 179 Y HA 0.798 5.348 4.550 -0.001 0.000 0.323 179 Y C -0.904 174.965 175.900 -0.051 0.000 1.230 179 Y CA -1.451 56.629 58.100 -0.034 0.000 1.121 179 Y CB 1.381 39.841 38.460 -0.000 0.000 1.328 179 Y HN -0.193 nan 8.280 nan 0.000 0.514 180 S N 0.499 116.081 115.700 -0.197 0.000 2.536 180 S HA 0.408 4.878 4.470 -0.001 0.000 0.271 180 S C -1.875 172.654 174.600 -0.119 0.000 1.134 180 S CA -0.906 57.085 58.200 -0.348 0.000 0.897 180 S CB 1.939 64.961 63.200 -0.296 0.000 1.094 180 S HN 0.685 nan 8.310 nan 0.000 0.473 181 Q N 1.668 121.371 119.800 -0.161 0.000 2.305 181 Q HA 0.512 4.851 4.340 -0.001 0.000 0.271 181 Q C -1.743 174.190 176.000 -0.112 0.000 1.046 181 Q CA -0.631 55.164 55.803 -0.013 0.000 0.798 181 Q CB 1.034 29.926 28.738 0.258 0.000 1.286 181 Q HN 0.552 nan 8.270 nan 0.000 0.435 182 F N 3.591 123.548 119.950 0.012 0.000 2.504 182 F HA 0.090 4.616 4.527 -0.001 0.000 0.369 182 F C 1.294 177.112 175.800 0.030 0.000 1.082 182 F CA 0.093 58.088 58.000 -0.007 0.000 1.216 182 F CB 0.731 39.734 39.000 0.006 0.000 1.108 182 F HN 0.609 nan 8.300 nan 0.000 0.554 183 M N 1.935 121.667 119.600 0.221 0.000 2.486 183 M HA 0.264 4.744 4.480 -0.001 0.000 0.264 183 M C 0.788 177.173 176.300 0.143 0.000 1.125 183 M CA 0.459 55.854 55.300 0.159 0.000 1.144 183 M CB -0.406 32.285 32.600 0.151 0.000 1.353 183 M HN 0.625 nan 8.290 nan 0.000 0.466 184 G N 0.438 109.338 108.800 0.168 0.000 2.655 184 G HA2 0.563 4.522 3.960 -0.001 0.000 0.296 184 G HA3 0.563 4.522 3.960 -0.001 0.000 0.296 184 G C -1.624 173.359 174.900 0.139 0.000 1.485 184 G CA -0.661 44.523 45.100 0.141 0.000 0.869 184 G HN 0.124 nan 8.290 nan 0.000 0.540 185 I N 1.616 122.242 120.570 0.094 0.000 2.476 185 I HA 0.275 4.445 4.170 -0.001 0.000 0.281 185 I C -1.068 175.137 176.117 0.148 0.000 1.040 185 I CA -0.597 60.737 61.300 0.057 0.000 1.094 185 I CB 1.812 39.727 38.000 -0.141 0.000 1.219 185 I HN 0.427 nan 8.210 nan 0.000 0.450 186 F N 6.653 126.647 119.950 0.074 0.000 2.424 186 F HA 0.424 4.950 4.527 -0.001 0.000 0.356 186 F C 0.093 175.943 175.800 0.084 0.000 1.110 186 F CA -0.161 57.890 58.000 0.086 0.000 1.161 186 F CB 0.595 39.667 39.000 0.119 0.000 1.115 186 F HN 0.401 nan 8.300 nan 0.000 0.507 187 E N 4.432 124.308 120.200 -0.541 0.000 2.210 187 E HA 0.346 4.696 4.350 -0.001 0.000 0.266 187 E C -1.581 174.634 176.600 -0.641 0.000 0.883 187 E CA -0.827 55.291 56.400 -0.470 0.000 0.761 187 E CB 2.041 31.619 29.700 -0.202 0.000 1.156 187 E HN 0.606 nan 8.360 nan 0.000 0.412 188 D N 1.014 121.129 120.400 -0.475 0.000 2.599 188 D HA 0.344 4.983 4.640 -0.001 0.000 0.252 188 D C -1.430 174.790 176.300 -0.135 0.000 1.232 188 D CA -0.628 53.194 54.000 -0.297 0.000 0.819 188 D CB 1.359 41.992 40.800 -0.279 0.000 1.401 188 D HN 0.201 nan 8.370 nan 0.000 0.429 189 R N 0.696 121.135 120.500 -0.103 0.000 2.514 189 R HA 0.877 5.217 4.340 -0.001 0.000 0.301 189 R C -1.023 175.164 176.300 -0.188 0.000 0.962 189 R CA -1.040 55.012 56.100 -0.081 0.000 0.882 189 R CB 2.116 32.336 30.300 -0.134 0.000 1.143 189 R HN 0.314 nan 8.270 nan 0.000 0.452 190 A N 4.014 126.692 122.820 -0.237 0.000 2.330 190 A HA 0.575 4.895 4.320 -0.001 0.000 0.313 190 A C -2.492 175.004 177.584 -0.147 0.000 1.124 190 A CA -2.029 49.654 52.037 -0.590 0.000 0.774 190 A CB 0.979 19.299 19.000 -1.133 0.000 1.198 190 A HN 0.467 nan 8.150 nan 0.000 0.465 191 P HA 0.184 nan 4.420 nan 0.000 0.271 191 P C -0.300 177.060 177.300 0.100 0.000 1.216 191 P CA 0.121 63.287 63.100 0.109 0.000 0.776 191 P CB 0.971 32.712 31.700 0.069 0.000 0.881 192 V N 5.726 125.734 119.914 0.157 0.000 2.461 192 V HA 0.165 4.284 4.120 -0.001 0.000 0.275 192 V C -1.871 174.265 176.094 0.071 0.000 1.047 192 V CA -1.720 60.638 62.300 0.097 0.000 0.955 192 V CB 0.440 32.319 31.823 0.095 0.000 0.988 192 V HN 0.543 nan 8.190 nan 0.000 0.471 193 P HA -0.009 nan 4.420 nan 0.000 0.266 193 P C 0.577 177.891 177.300 0.024 0.000 1.195 193 P CA 0.005 63.143 63.100 0.064 0.000 0.768 193 P CB 0.362 32.096 31.700 0.056 0.000 0.838 194 F N 4.655 124.568 119.950 -0.062 0.000 2.032 194 F HA -0.351 4.176 4.527 -0.001 0.000 0.297 194 F C 1.965 177.693 175.800 -0.121 0.000 1.125 194 F CA 2.477 60.411 58.000 -0.111 0.000 1.202 194 F CB -0.900 38.038 39.000 -0.103 0.000 0.958 194 F HN 0.446 nan 8.300 nan 0.000 0.491 195 E N 0.075 120.141 120.200 -0.223 0.000 2.114 195 E HA -0.312 4.038 4.350 -0.001 0.000 0.199 195 E C 2.103 178.521 176.600 -0.303 0.000 1.008 195 E CA 2.009 58.222 56.400 -0.311 0.000 0.810 195 E CB -1.022 28.654 29.700 -0.040 0.000 0.739 195 E HN 0.755 nan 8.360 nan 0.000 0.456 196 E N 0.523 120.604 120.200 -0.199 0.000 2.047 196 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 196 E C 2.128 178.582 176.600 -0.244 0.000 0.987 196 E CA 1.352 57.650 56.400 -0.169 0.000 0.799 196 E CB 0.087 29.729 29.700 -0.096 0.000 0.752 196 E HN 0.223 nan 8.360 nan 0.000 0.449 197 V N 1.863 121.578 119.914 -0.330 0.000 2.252 197 V HA -0.315 3.804 4.120 -0.001 0.000 0.249 197 V C 2.421 178.258 176.094 -0.429 0.000 1.056 197 V CA 1.449 63.465 62.300 -0.473 0.000 1.022 197 V CB -0.479 30.944 31.823 -0.666 0.000 0.641 197 V HN 0.355 nan 8.190 nan 0.000 0.445 198 I N 0.397 120.657 120.570 -0.517 0.000 2.090 198 I HA -0.196 3.973 4.170 -0.001 0.000 0.236 198 I C 2.288 178.252 176.117 -0.255 0.000 1.064 198 I CA 1.998 63.032 61.300 -0.443 0.000 1.324 198 I CB -1.332 36.243 38.000 -0.709 0.000 1.044 198 I HN 0.392 nan 8.210 nan 0.000 0.399 199 D N 0.228 120.479 120.400 -0.248 0.000 2.234 199 D HA -0.090 4.549 4.640 -0.001 0.000 0.205 199 D C 2.089 178.317 176.300 -0.120 0.000 0.962 199 D CA 0.785 54.693 54.000 -0.153 0.000 0.855 199 D CB 0.324 41.044 40.800 -0.133 0.000 0.951 199 D HN 0.292 nan 8.370 nan 0.000 0.500 200 K N 0.387 120.707 120.400 -0.134 0.000 2.216 200 K HA 0.203 4.523 4.320 -0.001 0.000 0.207 200 K C 2.367 178.907 176.600 -0.100 0.000 1.041 200 K CA 0.027 56.253 56.287 -0.101 0.000 0.966 200 K CB -0.127 32.320 32.500 -0.089 0.000 0.955 200 K HN 0.125 nan 8.250 nan 0.000 0.468 201 I N 1.542 122.036 120.570 -0.126 0.000 2.141 201 I HA -0.233 3.937 4.170 -0.001 0.000 0.236 201 I C 2.230 178.289 176.117 -0.096 0.000 1.071 201 I CA 1.355 62.590 61.300 -0.109 0.000 1.345 201 I CB -0.396 37.528 38.000 -0.127 0.000 1.066 201 I HN 0.139 nan 8.210 nan 0.000 0.406 202 N N 1.002 119.641 118.700 -0.102 0.000 2.142 202 N HA -0.128 4.612 4.740 -0.001 0.000 0.186 202 N C 1.738 177.233 175.510 -0.026 0.000 1.023 202 N CA 1.596 54.636 53.050 -0.016 0.000 0.852 202 N CB -0.055 38.480 38.487 0.079 0.000 0.998 202 N HN 0.342 nan 8.380 nan 0.000 0.424 203 A N 0.363 123.151 122.820 -0.054 0.000 1.841 203 A HA -0.045 4.275 4.320 -0.001 0.000 0.214 203 A C 1.842 179.390 177.584 -0.060 0.000 1.195 203 A CA 1.509 53.513 52.037 -0.055 0.000 0.611 203 A CB -0.243 18.716 19.000 -0.068 0.000 0.835 203 A HN 0.366 nan 8.150 nan 0.000 0.443 204 K N -1.921 118.440 120.400 -0.065 0.000 2.374 204 K HA 0.306 4.625 4.320 -0.001 0.000 0.202 204 K C 0.704 177.263 176.600 -0.068 0.000 1.040 204 K CA 0.425 56.675 56.287 -0.060 0.000 1.085 204 K CB 0.555 33.023 32.500 -0.052 0.000 0.873 204 K HN 0.673 nan 8.250 nan 0.000 0.539 205 G N 2.187 110.937 108.800 -0.082 0.000 2.221 205 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.265 205 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.265 205 G C 0.180 175.028 174.900 -0.086 0.000 1.041 205 G CA 0.558 45.596 45.100 -0.104 0.000 0.807 205 G HN 0.238 nan 8.290 nan 0.000 0.502 206 V N -4.227 115.645 119.914 -0.069 0.000 3.139 206 V HA 0.946 5.065 4.120 -0.001 0.000 0.310 206 V C 0.454 176.518 176.094 -0.049 0.000 1.260 206 V CA -0.725 61.543 62.300 -0.053 0.000 1.064 206 V CB 1.776 33.574 31.823 -0.042 0.000 1.160 206 V HN 1.324 nan 8.190 nan 0.000 0.470 207 c N -0.282 118.295 118.600 -0.038 0.000 3.307 207 c HA 0.593 5.163 4.570 -0.001 0.000 0.333 207 c C -0.449 173.626 174.090 -0.024 0.000 1.291 207 c CA -0.590 55.718 56.329 -0.034 0.000 1.273 207 c CB 1.793 44.286 42.510 -0.027 0.000 1.580 207 c HN 1.108 nan 8.230 nan 0.000 0.481 208 R N 1.939 122.427 120.500 -0.021 0.000 2.438 208 R HA 0.291 4.630 4.340 -0.001 0.000 0.287 208 R C 1.140 177.439 176.300 -0.002 0.000 1.077 208 R CA 0.548 56.643 56.100 -0.009 0.000 1.034 208 R CB 0.833 31.124 30.300 -0.015 0.000 0.993 208 R HN 0.859 nan 8.270 nan 0.000 0.459 209 S N -0.062 115.653 115.700 0.026 0.000 2.851 209 S HA -0.032 4.438 4.470 -0.001 0.000 0.227 209 S C 0.481 175.118 174.600 0.062 0.000 0.958 209 S CA -0.205 58.030 58.200 0.058 0.000 0.990 209 S CB -0.412 62.865 63.200 0.127 0.000 0.790 209 S HN 0.700 nan 8.310 nan 0.000 0.509 210 T N -2.107 112.437 114.554 -0.017 0.000 2.906 210 T HA 0.802 5.151 4.350 -0.001 0.000 0.295 210 T C -0.886 173.772 174.700 -0.071 0.000 1.061 210 T CA -0.704 61.314 62.100 -0.137 0.000 1.000 210 T CB 1.857 70.534 68.868 -0.317 0.000 1.103 210 T HN 0.425 nan 8.240 nan 0.000 0.486 211 A N 1.936 124.725 122.820 -0.051 0.000 2.363 211 A HA 0.717 5.036 4.320 -0.001 0.000 0.296 211 A C -0.344 177.352 177.584 0.187 0.000 1.237 211 A CA -0.842 51.261 52.037 0.110 0.000 0.773 211 A CB 0.802 19.919 19.000 0.195 0.000 1.153 211 A HN 0.863 nan 8.150 nan 0.000 0.473 212 K N 2.553 123.059 120.400 0.176 0.000 2.307 212 K HA 0.693 5.012 4.320 -0.001 0.000 0.263 212 K C -1.319 175.447 176.600 0.276 0.000 0.973 212 K CA -0.483 55.877 56.287 0.121 0.000 0.846 212 K CB 0.901 33.416 32.500 0.024 0.000 1.100 212 K HN 0.824 nan 8.250 nan 0.000 0.438 213 Y N -1.050 119.269 120.300 0.032 0.000 2.779 213 Y HA 0.434 4.984 4.550 -0.001 0.000 0.340 213 Y C -1.735 174.197 175.900 0.053 0.000 1.252 213 Y CA -1.489 56.639 58.100 0.048 0.000 1.072 213 Y CB 0.702 39.200 38.460 0.064 0.000 1.343 213 Y HN 0.013 nan 8.280 nan 0.000 0.450 214 V N 2.523 122.532 119.914 0.158 0.000 2.383 214 V HA 0.680 4.800 4.120 -0.001 0.000 0.275 214 V C -0.476 175.702 176.094 0.141 0.000 1.036 214 V CA -0.279 62.056 62.300 0.057 0.000 0.889 214 V CB 0.905 32.776 31.823 0.081 0.000 0.985 214 V HN 0.713 nan 8.190 nan 0.000 0.459 215 R N 4.227 124.745 120.500 0.031 0.000 2.538 215 R HA 0.464 4.803 4.340 -0.001 0.000 0.292 215 R C -0.133 176.206 176.300 0.064 0.000 1.008 215 R CA -0.507 55.667 56.100 0.123 0.000 0.896 215 R CB 0.570 30.983 30.300 0.188 0.000 1.187 215 R HN 0.656 nan 8.270 nan 0.000 0.440 216 N N 3.289 122.037 118.700 0.079 0.000 2.705 216 N HA -0.277 4.463 4.740 -0.001 0.000 0.255 216 N C -1.084 174.440 175.510 0.024 0.000 1.008 216 N CA 1.487 54.566 53.050 0.048 0.000 0.742 216 N CB -1.351 37.161 38.487 0.041 0.000 0.906 216 N HN 0.988 nan 8.380 nan 0.000 0.541 217 N N -2.112 116.604 118.700 0.026 0.000 2.714 217 N HA -0.221 4.519 4.740 -0.001 0.000 0.250 217 N C -0.963 174.547 175.510 0.001 0.000 1.117 217 N CA 0.915 53.974 53.050 0.014 0.000 0.719 217 N CB -0.339 38.154 38.487 0.010 0.000 1.081 217 N HN 0.444 nan 8.380 nan 0.000 0.557 218 L N 0.414 121.631 121.223 -0.010 0.000 2.445 218 L HA 0.368 4.708 4.340 -0.001 0.000 0.262 218 L C -0.777 176.052 176.870 -0.068 0.000 0.974 218 L CA -0.432 54.389 54.840 -0.032 0.000 0.822 218 L CB 2.111 44.148 42.059 -0.037 0.000 1.339 218 L HN 0.100 nan 8.230 nan 0.000 0.409 219 E N 2.716 122.876 120.200 -0.068 0.000 1.963 219 E HA 0.180 4.530 4.350 -0.001 0.000 0.274 219 E C -0.808 175.707 176.600 -0.142 0.000 1.061 219 E CA -0.101 56.237 56.400 -0.103 0.000 0.847 219 E CB 0.800 30.471 29.700 -0.049 0.000 1.083 219 E HN 0.608 nan 8.360 nan 0.000 0.402 220 T N 2.746 117.134 114.554 -0.277 0.000 2.928 220 T HA 0.389 4.738 4.350 -0.001 0.000 0.284 220 T C -0.499 174.057 174.700 -0.240 0.000 1.008 220 T CA -0.254 61.699 62.100 -0.246 0.000 1.057 220 T CB 1.286 69.988 68.868 -0.276 0.000 1.018 220 T HN 0.368 nan 8.240 nan 0.000 0.493 221 T N 2.714 117.219 114.554 -0.082 0.000 2.893 221 T HA 0.761 5.111 4.350 -0.001 0.000 0.293 221 T C -1.043 173.652 174.700 -0.009 0.000 1.027 221 T CA -0.698 61.358 62.100 -0.074 0.000 0.988 221 T CB 1.579 70.415 68.868 -0.053 0.000 1.043 221 T HN 0.851 nan 8.240 nan 0.000 0.461 222 A N 2.246 125.002 122.820 -0.107 0.000 2.393 222 A HA 0.854 5.173 4.320 -0.001 0.000 0.306 222 A C -1.587 175.889 177.584 -0.180 0.000 1.050 222 A CA -0.733 51.328 52.037 0.040 0.000 0.724 222 A CB 0.879 19.990 19.000 0.186 0.000 1.248 222 A HN 0.668 nan 8.150 nan 0.000 0.424 223 F N 1.150 121.188 119.950 0.148 0.000 2.467 223 F HA 0.389 4.916 4.527 -0.001 0.000 0.336 223 F C 0.503 176.388 175.800 0.142 0.000 1.123 223 F CA -0.497 57.583 58.000 0.133 0.000 0.964 223 F CB 1.418 40.477 39.000 0.098 0.000 1.136 223 F HN 0.753 nan 8.300 nan 0.000 0.447 224 H N 3.927 123.104 119.070 0.178 0.000 3.034 224 H HA 0.181 4.737 4.556 -0.001 0.000 0.324 224 H C 0.845 176.174 175.328 0.002 0.000 1.015 224 H CA 0.482 56.593 56.048 0.105 0.000 1.429 224 H CB 0.433 30.240 29.762 0.076 0.000 1.429 224 H HN 0.677 nan 8.280 nan 0.000 0.585 225 R N 2.469 122.606 120.500 -0.604 0.000 4.000 225 R HA -0.236 4.104 4.340 -0.001 0.000 0.362 225 R C -0.600 175.344 176.300 -0.593 0.000 1.183 225 R CA 0.902 56.342 56.100 -1.101 0.000 1.011 225 R CB -1.656 28.072 30.300 -0.953 0.000 1.501 225 R HN 0.943 nan 8.270 nan 0.000 0.553 226 D N 0.155 120.479 120.400 -0.126 0.000 2.689 226 D HA -0.175 4.464 4.640 -0.001 0.000 0.237 226 D C -0.151 176.106 176.300 -0.072 0.000 1.148 226 D CA 1.682 55.694 54.000 0.020 0.000 0.656 226 D CB -0.468 40.375 40.800 0.071 0.000 1.050 226 D HN 0.454 nan 8.370 nan 0.000 0.426 227 D N -1.208 119.178 120.400 -0.023 0.000 2.533 227 D HA 0.205 4.845 4.640 -0.001 0.000 0.247 227 D C -0.093 176.287 176.300 0.132 0.000 1.056 227 D CA -0.503 53.470 54.000 -0.045 0.000 1.054 227 D CB 1.126 41.871 40.800 -0.091 0.000 1.400 227 D HN 0.115 nan 8.370 nan 0.000 0.533 228 H N 0.925 120.001 119.070 0.010 0.000 3.034 228 H HA -0.018 4.537 4.556 -0.001 0.000 0.324 228 H C 0.359 175.781 175.328 0.155 0.000 1.015 228 H CA 0.217 56.306 56.048 0.067 0.000 1.429 228 H CB 0.678 30.456 29.762 0.027 0.000 1.429 228 H HN 0.283 nan 8.280 nan 0.000 0.585 229 E N 2.974 123.379 120.200 0.341 0.000 2.558 229 E HA -0.046 4.303 4.350 -0.001 0.000 0.255 229 E C -0.639 176.048 176.600 0.145 0.000 0.968 229 E CA 0.046 56.589 56.400 0.238 0.000 0.939 229 E CB 0.428 30.240 29.700 0.187 0.000 0.921 229 E HN 0.642 nan 8.360 nan 0.000 0.477 230 T N 1.679 116.304 114.554 0.118 0.000 2.933 230 T HA 0.250 4.599 4.350 -0.001 0.000 0.305 230 T C -0.794 173.937 174.700 0.051 0.000 1.092 230 T CA -1.216 60.931 62.100 0.080 0.000 1.008 230 T CB 1.414 70.333 68.868 0.084 0.000 1.102 230 T HN 0.221 nan 8.240 nan 0.000 0.469 231 D N 2.672 123.089 120.400 0.029 0.000 2.417 231 D HA 0.327 4.966 4.640 -0.001 0.000 0.250 231 D C -0.043 176.261 176.300 0.007 0.000 1.166 231 D CA 0.307 54.312 54.000 0.009 0.000 0.881 231 D CB 0.555 41.353 40.800 -0.003 0.000 1.164 231 D HN 0.523 nan 8.370 nan 0.000 0.467 232 M N 1.177 120.774 119.600 -0.005 0.000 2.383 232 M HA 0.200 4.680 4.480 -0.001 0.000 0.325 232 M C 0.273 176.556 176.300 -0.028 0.000 1.092 232 M CA -0.813 54.480 55.300 -0.012 0.000 0.961 232 M CB 2.323 34.911 32.600 -0.019 0.000 1.672 232 M HN 0.225 nan 8.290 nan 0.000 0.438 233 E N 3.270 123.453 120.200 -0.028 0.000 2.324 233 E HA 0.237 4.586 4.350 -0.001 0.000 0.271 233 E C -1.313 175.258 176.600 -0.049 0.000 1.028 233 E CA -0.230 56.149 56.400 -0.035 0.000 0.890 233 E CB 0.740 30.425 29.700 -0.026 0.000 1.004 233 E HN 0.577 nan 8.360 nan 0.000 0.431 234 L N 4.766 125.961 121.223 -0.047 0.000 2.397 234 L HA 0.264 4.603 4.340 -0.001 0.000 0.271 234 L C 0.322 177.197 176.870 0.009 0.000 1.148 234 L CA 0.177 54.999 54.840 -0.030 0.000 0.825 234 L CB 0.675 42.713 42.059 -0.035 0.000 1.117 234 L HN 0.504 nan 8.230 nan 0.000 0.456 235 K N 3.137 123.537 120.400 0.001 0.000 2.385 235 K HA 0.477 4.796 4.320 -0.001 0.000 0.248 235 K C -2.580 174.133 176.600 0.188 0.000 0.955 235 K CA -2.001 54.313 56.287 0.045 0.000 0.816 235 K CB 1.829 34.254 32.500 -0.125 0.000 1.250 235 K HN 0.190 nan 8.250 nan 0.000 0.434 236 P HA -0.055 nan 4.420 nan 0.000 0.264 236 P C -0.908 176.401 177.300 0.015 0.000 1.193 236 P CA 0.146 63.243 63.100 -0.005 0.000 0.763 236 P CB 0.561 32.276 31.700 0.024 0.000 0.810 237 A N 4.153 126.908 122.820 -0.107 0.000 2.425 237 A HA 0.093 4.413 4.320 -0.001 0.000 0.242 237 A C 0.504 178.054 177.584 -0.057 0.000 1.077 237 A CA -0.292 51.734 52.037 -0.018 0.000 0.781 237 A CB -0.215 18.672 19.000 -0.188 0.000 1.020 237 A HN 0.532 nan 8.150 nan 0.000 0.494 238 N N 0.681 119.351 118.700 -0.050 0.000 2.412 238 N HA 0.217 4.956 4.740 -0.001 0.000 0.254 238 N C 0.420 175.883 175.510 -0.078 0.000 1.232 238 N CA 0.869 53.891 53.050 -0.045 0.000 0.880 238 N CB 0.451 38.908 38.487 -0.050 0.000 1.076 238 N HN 0.810 nan 8.380 nan 0.000 0.458 239 A N 1.193 123.976 122.820 -0.061 0.000 2.520 239 A HA 0.471 4.790 4.320 -0.001 0.000 0.235 239 A C 0.183 177.726 177.584 -0.068 0.000 1.065 239 A CA 0.117 52.113 52.037 -0.069 0.000 0.764 239 A CB 0.035 19.006 19.000 -0.049 0.000 1.002 239 A HN 0.792 nan 8.150 nan 0.000 0.502 240 A N 1.806 124.581 122.820 -0.075 0.000 2.513 240 A HA 0.633 4.952 4.320 -0.001 0.000 0.296 240 A C 0.032 177.577 177.584 -0.065 0.000 1.052 240 A CA 0.015 52.011 52.037 -0.068 0.000 0.714 240 A CB 0.221 19.174 19.000 -0.079 0.000 1.279 240 A HN 1.938 nan 8.150 nan 0.000 0.397 241 T N 0.138 114.660 114.554 -0.052 0.000 2.937 241 T HA 0.391 4.740 4.350 -0.001 0.000 0.316 241 T C 0.581 175.248 174.700 -0.054 0.000 1.079 241 T CA 0.313 62.384 62.100 -0.048 0.000 1.131 241 T CB 0.013 68.858 68.868 -0.038 0.000 1.000 241 T HN 1.004 nan 8.240 nan 0.000 0.549 242 R N -0.244 120.225 120.500 -0.052 0.000 3.322 242 R HA -0.152 4.187 4.340 -0.001 0.000 0.253 242 R C 0.032 176.292 176.300 -0.067 0.000 0.987 242 R CA 0.926 56.993 56.100 -0.055 0.000 0.666 242 R CB -2.635 27.636 30.300 -0.048 0.000 1.072 242 R HN 1.090 nan 8.270 nan 0.000 0.447 243 T N -3.552 110.955 114.554 -0.078 0.000 2.909 243 T HA 0.522 4.871 4.350 -0.001 0.000 0.299 243 T C 0.531 175.165 174.700 -0.109 0.000 1.073 243 T CA -0.329 61.714 62.100 -0.095 0.000 0.999 243 T CB 2.106 70.912 68.868 -0.104 0.000 1.098 243 T HN 0.221 nan 8.240 nan 0.000 0.477 244 S N 2.488 118.118 115.700 -0.116 0.000 2.612 244 S HA 0.368 4.837 4.470 -0.001 0.000 0.253 244 S C 0.227 174.715 174.600 -0.188 0.000 1.346 244 S CA -0.918 57.209 58.200 -0.123 0.000 0.976 244 S CB -0.012 63.123 63.200 -0.108 0.000 0.949 244 S HN 0.862 nan 8.310 nan 0.000 0.584 245 R N -0.002 120.362 120.500 -0.226 0.000 2.410 245 R HA 0.626 4.966 4.340 -0.001 0.000 0.288 245 R C 0.316 176.197 176.300 -0.699 0.000 1.051 245 R CA -0.187 55.619 56.100 -0.491 0.000 1.021 245 R CB 1.111 31.122 30.300 -0.481 0.000 1.032 245 R HN 0.834 nan 8.270 nan 0.000 0.481 246 G N 1.378 109.588 108.800 -0.984 0.000 2.660 246 G HA2 0.601 4.561 3.960 -0.001 0.000 0.294 246 G HA3 0.601 4.561 3.960 -0.001 0.000 0.294 246 G C -1.704 172.714 174.900 -0.803 0.000 1.369 246 G CA -0.570 44.128 45.100 -0.670 0.000 0.912 246 G HN 0.425 nan 8.290 nan 0.000 0.479 247 W N -0.029 121.284 121.300 0.021 0.000 3.107 247 W HA 0.506 5.166 4.660 -0.001 0.000 0.331 247 W C -0.306 176.275 176.519 0.104 0.000 1.204 247 W CA -0.627 56.761 57.345 0.072 0.000 1.184 247 W CB 2.275 31.736 29.460 0.003 0.000 1.421 247 W HN 0.995 nan 8.180 nan 0.000 0.544 248 H N -2.878 116.278 119.070 0.144 0.000 2.942 248 H HA 0.551 5.106 4.556 -0.001 0.000 0.316 248 H C 0.371 175.722 175.328 0.038 0.000 1.323 248 H CA -0.243 55.829 56.048 0.040 0.000 1.144 248 H CB 1.882 31.640 29.762 -0.007 0.000 1.866 248 H HN 0.151 nan 8.280 nan 0.000 0.545 249 T N -2.779 111.732 114.554 -0.072 0.000 2.978 249 T HA 0.236 4.585 4.350 -0.001 0.000 0.248 249 T C 0.309 174.946 174.700 -0.104 0.000 1.018 249 T CA 0.543 62.566 62.100 -0.129 0.000 1.026 249 T CB -0.012 68.800 68.868 -0.093 0.000 1.032 249 T HN 0.584 nan 8.240 nan 0.000 0.485 250 T N 1.845 116.405 114.554 0.010 0.000 2.907 250 T HA 0.479 4.828 4.350 -0.001 0.000 0.292 250 T C -0.329 174.517 174.700 0.244 0.000 1.043 250 T CA -0.766 61.377 62.100 0.072 0.000 1.003 250 T CB 2.357 71.201 68.868 -0.039 0.000 1.084 250 T HN 0.023 nan 8.240 nan 0.000 0.483 251 D N 0.446 120.965 120.400 0.200 0.000 2.463 251 D HA 0.184 4.823 4.640 -0.001 0.000 0.237 251 D C 0.548 176.933 176.300 0.143 0.000 1.013 251 D CA 0.366 54.480 54.000 0.190 0.000 0.910 251 D CB 0.648 41.548 40.800 0.168 0.000 1.080 251 D HN 0.305 nan 8.370 nan 0.000 0.498 252 L N 1.246 122.569 121.223 0.165 0.000 2.375 252 L HA 0.314 4.654 4.340 -0.001 0.000 0.268 252 L C 0.423 177.420 176.870 0.213 0.000 1.058 252 L CA -0.813 54.126 54.840 0.165 0.000 0.803 252 L CB 1.140 43.295 42.059 0.161 0.000 1.212 252 L HN -0.380 nan 8.230 nan 0.000 0.451 253 K N 1.381 121.891 120.400 0.184 0.000 2.201 253 K HA 0.222 4.541 4.320 -0.001 0.000 0.278 253 K C -0.905 175.834 176.600 0.232 0.000 1.027 253 K CA -0.463 55.947 56.287 0.205 0.000 0.909 253 K CB 1.246 33.831 32.500 0.141 0.000 1.062 253 K HN 0.325 nan 8.250 nan 0.000 0.465 254 Y N 3.504 123.894 120.300 0.151 0.000 2.336 254 Y HA 0.179 4.729 4.550 -0.001 0.000 0.335 254 Y C -0.384 175.602 175.900 0.144 0.000 1.046 254 Y CA -0.131 58.028 58.100 0.098 0.000 1.198 254 Y CB 0.595 39.047 38.460 -0.012 0.000 1.182 254 Y HN 0.476 nan 8.280 nan 0.000 0.502 255 N N 7.086 125.338 118.700 -0.746 0.000 2.240 255 N HA 0.371 5.110 4.740 -0.001 0.000 0.302 255 N C -2.924 172.146 175.510 -0.734 0.000 1.106 255 N CA -1.845 50.911 53.050 -0.491 0.000 0.778 255 N CB 1.872 40.299 38.487 -0.100 0.000 1.431 255 N HN 0.406 nan 8.380 nan 0.000 0.479 256 P HA -0.046 nan 4.420 nan 0.000 0.266 256 P C -0.136 177.185 177.300 0.036 0.000 1.186 256 P CA 0.146 63.245 63.100 -0.002 0.000 0.767 256 P CB 0.323 32.168 31.700 0.241 0.000 0.820 257 S N 3.146 118.826 115.700 -0.033 0.000 2.564 257 S HA 0.181 4.651 4.470 -0.001 0.000 0.278 257 S C 0.404 174.673 174.600 -0.551 0.000 1.333 257 S CA -0.834 57.263 58.200 -0.172 0.000 1.048 257 S CB 0.437 63.577 63.200 -0.101 0.000 0.900 257 S HN 0.308 nan 8.310 nan 0.000 0.505 258 R N 1.347 121.372 120.500 -0.791 0.000 2.523 258 R HA 0.122 4.461 4.340 -0.001 0.000 0.281 258 R C -1.196 174.494 176.300 -1.016 0.000 0.969 258 R CA 0.339 55.578 56.100 -1.436 0.000 1.093 258 R CB -0.333 29.540 30.300 -0.713 0.000 0.917 258 R HN 0.660 nan 8.270 nan 0.000 0.408 259 V N 4.881 124.118 119.914 -1.127 0.000 2.757 259 V HA 0.068 4.188 4.120 -0.001 0.000 0.262 259 V C -0.060 175.932 176.094 -0.170 0.000 0.971 259 V CA -0.802 61.225 62.300 -0.456 0.000 0.906 259 V CB 1.277 32.879 31.823 -0.368 0.000 1.056 259 V HN 0.790 nan 8.190 nan 0.000 0.489 260 E N 3.544 123.661 120.200 -0.138 0.000 2.534 260 E HA 0.273 4.623 4.350 -0.001 0.000 0.264 260 E C 1.025 177.615 176.600 -0.017 0.000 0.981 260 E CA 0.938 57.278 56.400 -0.101 0.000 0.948 260 E CB 0.580 30.242 29.700 -0.063 0.000 0.934 260 E HN 1.533 nan 8.360 nan 0.000 0.459 261 A N 3.223 125.830 122.820 -0.354 0.000 2.687 261 A HA -0.210 4.110 4.320 -0.001 0.000 0.299 261 A C -0.784 176.631 177.584 -0.281 0.000 1.497 261 A CA 1.345 53.173 52.037 -0.348 0.000 0.751 261 A CB -1.966 16.966 19.000 -0.112 0.000 1.048 261 A HN 0.456 nan 8.150 nan 0.000 0.464 262 F N -1.097 118.651 119.950 -0.337 0.000 2.641 262 F HA 0.508 5.035 4.527 -0.001 0.000 0.308 262 F C 0.345 176.132 175.800 -0.022 0.000 1.105 262 F CA -0.534 57.461 58.000 -0.008 0.000 0.964 262 F CB 1.411 40.443 39.000 0.054 0.000 1.294 262 F HN 0.330 nan 8.300 nan 0.000 0.442 263 H N 3.036 122.393 119.070 0.478 0.000 2.489 263 H HA 0.592 5.148 4.556 -0.001 0.000 0.322 263 H C -0.462 174.982 175.328 0.192 0.000 1.091 263 H CA -0.318 55.906 56.048 0.293 0.000 1.291 263 H CB 1.447 31.350 29.762 0.236 0.000 1.436 263 H HN 0.461 nan 8.280 nan 0.000 0.480 264 R N 2.522 123.082 120.500 0.100 0.000 2.771 264 R HA 0.351 4.691 4.340 -0.001 0.000 0.274 264 R C -1.310 174.926 176.300 -0.107 0.000 0.987 264 R CA -0.904 55.283 56.100 0.144 0.000 0.908 264 R CB 1.966 32.474 30.300 0.347 0.000 1.213 264 R HN 0.450 nan 8.270 nan 0.000 0.468 265 Y N -0.771 119.650 120.300 0.202 0.000 2.429 265 Y HA 0.648 5.198 4.550 -0.001 0.000 0.342 265 Y C 0.646 176.670 175.900 0.208 0.000 1.004 265 Y CA -0.791 57.425 58.100 0.193 0.000 1.075 265 Y CB 2.567 41.137 38.460 0.183 0.000 1.214 265 Y HN 0.739 nan 8.280 nan 0.000 0.455 266 G N 0.679 109.687 108.800 0.347 0.000 2.591 266 G HA2 0.570 4.530 3.960 -0.001 0.000 0.306 266 G HA3 0.570 4.530 3.960 -0.001 0.000 0.306 266 G C -1.355 173.804 174.900 0.432 0.000 1.334 266 G CA -0.817 44.500 45.100 0.362 0.000 0.981 266 G HN 0.434 nan 8.290 nan 0.000 0.491 267 T N 1.262 116.130 114.554 0.522 0.000 2.797 267 T HA 0.651 5.000 4.350 -0.001 0.000 0.279 267 T C -0.214 174.725 174.700 0.398 0.000 0.991 267 T CA -0.249 62.092 62.100 0.402 0.000 0.979 267 T CB 1.645 70.718 68.868 0.342 0.000 0.943 267 T HN 0.409 nan 8.240 nan 0.000 0.444 268 T N 2.551 117.331 114.554 0.377 0.000 2.824 268 T HA 0.566 4.915 4.350 -0.001 0.000 0.282 268 T C -0.646 174.289 174.700 0.391 0.000 0.993 268 T CA -0.533 61.844 62.100 0.462 0.000 0.967 268 T CB 1.231 70.315 68.868 0.360 0.000 0.960 268 T HN 0.348 nan 8.240 nan 0.000 0.441 269 V N 4.102 124.285 119.914 0.449 0.000 2.380 269 V HA 0.455 4.575 4.120 -0.001 0.000 0.286 269 V C -0.463 175.584 176.094 -0.079 0.000 1.015 269 V CA -0.944 61.441 62.300 0.142 0.000 0.834 269 V CB 1.391 33.298 31.823 0.141 0.000 1.009 269 V HN 0.783 nan 8.190 nan 0.000 0.428 270 N N 3.185 121.878 118.700 -0.011 0.000 2.511 270 N HA 0.271 5.011 4.740 -0.001 0.000 0.249 270 N C -0.545 174.952 175.510 -0.021 0.000 0.971 270 N CA -0.230 52.800 53.050 -0.035 0.000 0.938 270 N CB 1.242 39.748 38.487 0.031 0.000 1.131 270 N HN 0.706 nan 8.380 nan 0.000 0.505 271 c N 5.980 124.555 118.600 -0.042 0.000 2.627 271 c HA 0.450 5.019 4.570 -0.001 0.000 0.404 271 c C 0.080 174.134 174.090 -0.060 0.000 1.340 271 c CA -0.475 55.826 56.329 -0.047 0.000 1.758 271 c CB -1.819 40.672 42.510 -0.032 0.000 2.501 271 c HN 0.598 nan 8.230 nan 0.000 0.588 272 I N 6.516 126.955 120.570 -0.218 0.000 2.465 272 I HA 0.464 4.634 4.170 -0.001 0.000 0.291 272 I C -0.654 175.251 176.117 -0.354 0.000 1.014 272 I CA -0.534 60.580 61.300 -0.310 0.000 1.093 272 I CB 1.913 39.570 38.000 -0.571 0.000 1.267 272 I HN 0.279 nan 8.210 nan 0.000 0.431 273 V N 5.549 125.422 119.914 -0.068 0.000 2.483 273 V HA 0.421 4.541 4.120 -0.001 0.000 0.297 273 V C -0.470 175.706 176.094 0.136 0.000 1.027 273 V CA -0.570 61.726 62.300 -0.006 0.000 0.855 273 V CB 1.776 33.688 31.823 0.148 0.000 0.995 273 V HN 0.698 nan 8.190 nan 0.000 0.424 274 E N 2.953 123.135 120.200 -0.030 0.000 2.224 274 E HA 0.422 4.772 4.350 -0.001 0.000 0.265 274 E C -1.002 175.599 176.600 0.002 0.000 0.878 274 E CA -0.672 55.735 56.400 0.011 0.000 0.759 274 E CB 2.590 32.269 29.700 -0.035 0.000 1.164 274 E HN 0.694 nan 8.360 nan 0.000 0.414 275 E N 1.904 122.148 120.200 0.074 0.000 2.259 275 E HA 0.291 4.640 4.350 -0.001 0.000 0.281 275 E C -0.386 176.192 176.600 -0.037 0.000 1.037 275 E CA -0.424 56.009 56.400 0.055 0.000 0.854 275 E CB 1.305 31.084 29.700 0.131 0.000 1.051 275 E HN 0.245 nan 8.360 nan 0.000 0.409 276 V N -0.385 119.487 119.914 -0.070 0.000 3.159 276 V HA 0.452 4.572 4.120 -0.001 0.000 0.308 276 V C -0.842 175.148 176.094 -0.172 0.000 1.190 276 V CA -1.234 60.992 62.300 -0.122 0.000 1.037 276 V CB 2.321 34.056 31.823 -0.147 0.000 1.060 276 V HN 0.403 nan 8.190 nan 0.000 0.437 277 D N 1.695 121.973 120.400 -0.203 0.000 2.255 277 D HA 0.725 5.365 4.640 -0.001 0.000 0.249 277 D C 0.023 176.090 176.300 -0.388 0.000 1.078 277 D CA 0.392 54.226 54.000 -0.278 0.000 0.896 277 D CB 1.920 42.589 40.800 -0.219 0.000 1.194 277 D HN 1.143 nan 8.370 nan 0.000 0.429 278 A N 2.474 124.906 122.820 -0.646 0.000 2.380 278 A HA 0.811 5.131 4.320 -0.001 0.000 0.315 278 A C -0.349 176.817 177.584 -0.697 0.000 1.101 278 A CA -0.717 50.825 52.037 -0.825 0.000 0.771 278 A CB 1.431 19.395 19.000 -1.725 0.000 1.287 278 A HN 0.529 nan 8.150 nan 0.000 0.436 279 R N 0.029 120.320 120.500 -0.348 0.000 2.698 279 R HA 0.748 5.087 4.340 -0.001 0.000 0.275 279 R C -1.129 175.238 176.300 0.112 0.000 1.001 279 R CA -0.513 55.518 56.100 -0.116 0.000 0.896 279 R CB 2.361 32.596 30.300 -0.109 0.000 1.218 279 R HN 0.702 nan 8.270 nan 0.000 0.462 280 S N 1.092 116.963 115.700 0.284 0.000 2.546 280 S HA 0.560 5.029 4.470 -0.001 0.000 0.272 280 S C -1.107 173.728 174.600 0.391 0.000 1.140 280 S CA -0.721 57.715 58.200 0.393 0.000 0.920 280 S CB 1.580 65.138 63.200 0.597 0.000 1.083 280 S HN 0.447 nan 8.310 nan 0.000 0.476 281 V N 3.140 123.141 119.914 0.146 0.000 2.769 281 V HA 0.672 4.792 4.120 -0.001 0.000 0.312 281 V C -0.227 175.529 176.094 -0.564 0.000 1.058 281 V CA -1.029 61.239 62.300 -0.053 0.000 0.952 281 V CB 0.967 32.796 31.823 0.009 0.000 1.019 281 V HN 0.943 nan 8.190 nan 0.000 0.445 282 Y N 5.524 125.191 120.300 -1.055 0.000 2.903 282 Y HA 0.194 4.744 4.550 -0.001 0.000 0.338 282 Y C -1.124 174.499 175.900 -0.461 0.000 1.265 282 Y CA -0.441 56.978 58.100 -1.135 0.000 1.532 282 Y CB 0.914 39.114 38.460 -0.434 0.000 1.293 282 Y HN 0.653 nan 8.280 nan 0.000 0.609 283 P HA -0.012 nan 4.420 nan 0.000 0.249 283 P C -1.032 176.051 177.300 -0.361 0.000 1.229 283 P CA 0.585 63.027 63.100 -1.096 0.000 0.788 283 P CB -0.152 31.085 31.700 -0.772 0.000 1.072 284 Y N -0.034 120.254 120.300 -0.021 0.000 4.234 284 Y HA -0.183 4.367 4.550 -0.001 0.000 0.239 284 Y C 0.796 176.791 175.900 0.159 0.000 1.197 284 Y CA 0.392 58.574 58.100 0.136 0.000 2.027 284 Y CB -3.078 35.538 38.460 0.261 0.000 1.619 284 Y HN 0.178 nan 8.280 nan 0.000 0.704 285 D N 0.609 121.104 120.400 0.157 0.000 2.340 285 D HA 0.084 4.724 4.640 -0.001 0.000 0.220 285 D C 0.573 177.028 176.300 0.260 0.000 1.039 285 D CA 1.229 55.336 54.000 0.178 0.000 0.866 285 D CB 0.160 40.918 40.800 -0.069 0.000 0.913 285 D HN 0.746 nan 8.370 nan 0.000 0.523 286 E N -1.153 119.199 120.200 0.254 0.000 2.417 286 E HA 0.454 4.803 4.350 -0.001 0.000 0.280 286 E C -1.306 175.452 176.600 0.264 0.000 1.112 286 E CA -1.161 55.370 56.400 0.219 0.000 0.863 286 E CB 0.926 30.716 29.700 0.151 0.000 1.346 286 E HN 0.041 nan 8.360 nan 0.000 0.443 287 F N -0.845 119.104 119.950 -0.002 0.000 2.745 287 F HA 0.786 5.312 4.527 -0.001 0.000 0.316 287 F C -1.554 174.064 175.800 -0.303 0.000 1.155 287 F CA -0.885 57.063 58.000 -0.088 0.000 0.937 287 F CB 1.113 40.118 39.000 0.008 0.000 1.361 287 F HN 0.485 nan 8.300 nan 0.000 0.472 288 V N 0.062 119.871 119.914 -0.175 0.000 2.914 288 V HA 0.775 4.894 4.120 -0.001 0.000 0.314 288 V C -1.125 174.842 176.094 -0.211 0.000 1.084 288 V CA -1.056 60.968 62.300 -0.461 0.000 0.963 288 V CB 1.627 32.984 31.823 -0.776 0.000 1.025 288 V HN 0.998 nan 8.190 nan 0.000 0.432 289 L N 2.212 123.283 121.223 -0.253 0.000 2.358 289 L HA 0.667 5.007 4.340 -0.001 0.000 0.268 289 L C 1.837 178.562 176.870 -0.241 0.000 1.032 289 L CA -0.408 54.298 54.840 -0.223 0.000 0.805 289 L CB 1.717 43.640 42.059 -0.227 0.000 1.253 289 L HN 0.875 nan 8.230 nan 0.000 0.452 290 A N -0.091 122.598 122.820 -0.219 0.000 2.131 290 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 290 A C 1.874 179.353 177.584 -0.175 0.000 1.158 290 A CA 2.004 53.928 52.037 -0.188 0.000 0.665 290 A CB -0.945 17.956 19.000 -0.165 0.000 0.795 290 A HN 0.898 nan 8.150 nan 0.000 0.460 291 T N -4.598 109.838 114.554 -0.196 0.000 3.113 291 T HA 0.372 4.721 4.350 -0.001 0.000 0.256 291 T C 1.479 176.082 174.700 -0.161 0.000 1.131 291 T CA 1.072 63.062 62.100 -0.184 0.000 1.074 291 T CB -0.009 68.715 68.868 -0.240 0.000 0.944 291 T HN 1.626 nan 8.240 nan 0.000 0.516 292 G N 1.140 109.834 108.800 -0.176 0.000 2.195 292 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.246 292 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.246 292 G C -0.288 174.548 174.900 -0.107 0.000 0.984 292 G CA -0.074 44.941 45.100 -0.143 0.000 0.633 292 G HN 0.572 nan 8.290 nan 0.000 0.525 293 D N 0.538 120.858 120.400 -0.133 0.000 2.371 293 D HA 0.418 5.057 4.640 -0.001 0.000 0.256 293 D C 0.258 176.504 176.300 -0.090 0.000 1.193 293 D CA 0.222 54.208 54.000 -0.024 0.000 0.881 293 D CB 0.391 41.152 40.800 -0.064 0.000 1.143 293 D HN 0.102 nan 8.370 nan 0.000 0.473 294 F N 1.234 121.110 119.950 -0.123 0.000 2.375 294 F HA 0.206 4.732 4.527 -0.001 0.000 0.333 294 F C 0.642 176.157 175.800 -0.475 0.000 1.104 294 F CA -0.387 57.385 58.000 -0.380 0.000 1.149 294 F CB 1.181 39.863 39.000 -0.529 0.000 1.190 294 F HN -0.018 nan 8.300 nan 0.000 0.533 295 V N 4.568 124.120 119.914 -0.603 0.000 2.380 295 V HA 0.130 4.250 4.120 -0.001 0.000 0.286 295 V C -0.937 174.850 176.094 -0.512 0.000 1.015 295 V CA -0.921 61.024 62.300 -0.591 0.000 0.834 295 V CB 0.692 31.812 31.823 -1.171 0.000 1.009 295 V HN 0.556 nan 8.190 nan 0.000 0.428 296 Y N 4.984 125.394 120.300 0.183 0.000 2.971 296 Y HA 0.481 5.030 4.550 -0.001 0.000 0.384 296 Y C 0.385 176.476 175.900 0.318 0.000 1.166 296 Y CA 0.112 58.329 58.100 0.195 0.000 1.973 296 Y CB -0.068 38.415 38.460 0.039 0.000 2.082 296 Y HN 0.570 nan 8.280 nan 0.000 0.420 297 M N 0.198 119.992 119.600 0.324 0.000 2.484 297 M HA 0.400 4.880 4.480 -0.001 0.000 0.289 297 M C -0.675 175.864 176.300 0.398 0.000 1.206 297 M CA -0.701 54.792 55.300 0.320 0.000 0.892 297 M CB 1.882 34.665 32.600 0.305 0.000 1.712 297 M HN 0.068 nan 8.290 nan 0.000 0.462 298 S N 3.246 119.180 115.700 0.390 0.000 2.549 298 S HA 0.287 4.757 4.470 -0.001 0.000 0.283 298 S C -2.036 172.764 174.600 0.334 0.000 1.320 298 S CA -0.984 57.451 58.200 0.393 0.000 1.058 298 S CB 0.706 64.162 63.200 0.427 0.000 0.882 298 S HN 0.578 nan 8.310 nan 0.000 0.498 299 P HA 0.023 nan 4.420 nan 0.000 0.228 299 P C 0.041 177.134 177.300 -0.345 0.000 1.151 299 P CA 1.076 63.833 63.100 -0.571 0.000 0.770 299 P CB 0.011 30.918 31.700 -1.321 0.000 0.786 300 F N -4.400 115.696 119.950 0.242 0.000 2.695 300 F HA 0.195 4.722 4.527 -0.001 0.000 0.303 300 F C 1.055 177.158 175.800 0.505 0.000 1.091 300 F CA -0.852 57.288 58.000 0.233 0.000 1.300 300 F CB -0.460 38.543 39.000 0.005 0.000 1.071 300 F HN -0.170 nan 8.300 nan 0.000 0.578 301 Y N 1.666 122.213 120.300 0.412 0.000 2.480 301 Y HA 0.458 5.008 4.550 -0.001 0.000 0.338 301 Y C 0.611 176.512 175.900 0.003 0.000 1.220 301 Y CA 0.552 58.746 58.100 0.156 0.000 1.430 301 Y CB 0.358 38.797 38.460 -0.035 0.000 1.311 301 Y HN 0.138 nan 8.280 nan 0.000 0.575 302 G N 2.859 111.089 108.800 -0.950 0.000 2.348 302 G HA2 0.027 3.986 3.960 -0.001 0.000 0.296 302 G HA3 0.027 3.986 3.960 -0.001 0.000 0.296 302 G C -0.991 173.462 174.900 -0.744 0.000 1.258 302 G CA -0.390 44.183 45.100 -0.878 0.000 0.868 302 G HN 0.582 nan 8.290 nan 0.000 0.488 303 Y N 0.295 120.347 120.300 -0.414 0.000 2.539 303 Y HA 0.261 4.810 4.550 -0.001 0.000 0.284 303 Y C 1.669 177.429 175.900 -0.233 0.000 1.134 303 Y CA -0.536 57.408 58.100 -0.258 0.000 1.251 303 Y CB 0.351 38.702 38.460 -0.181 0.000 1.260 303 Y HN 0.120 nan 8.280 nan 0.000 0.528 304 R N 2.735 123.101 120.500 -0.224 0.000 2.502 304 R HA -0.022 4.317 4.340 -0.001 0.000 0.292 304 R C -0.510 175.739 176.300 -0.085 0.000 0.998 304 R CA 0.134 56.110 56.100 -0.208 0.000 1.056 304 R CB -0.311 29.751 30.300 -0.397 0.000 0.939 304 R HN 0.200 nan 8.270 nan 0.000 0.411 305 E N 1.936 122.145 120.200 0.015 0.000 1.357 305 E HA -0.263 4.087 4.350 -0.001 0.000 0.313 305 E C 1.141 177.789 176.600 0.079 0.000 1.457 305 E CA 1.095 57.536 56.400 0.069 0.000 1.143 305 E CB -1.051 28.690 29.700 0.069 0.000 0.669 305 E HN 0.961 nan 8.360 nan 0.000 0.334 306 G N 2.012 110.876 108.800 0.107 0.000 2.205 306 G HA2 -0.476 3.484 3.960 -0.001 0.000 0.269 306 G HA3 -0.476 3.484 3.960 -0.001 0.000 0.269 306 G C 1.360 176.117 174.900 -0.238 0.000 0.977 306 G CA 0.879 45.900 45.100 -0.132 0.000 0.652 306 G HN 0.560 nan 8.290 nan 0.000 0.539 307 S N 0.747 116.414 115.700 -0.054 0.000 2.374 307 S HA -0.182 4.287 4.470 -0.001 0.000 0.227 307 S C 2.034 176.465 174.600 -0.283 0.000 1.037 307 S CA 1.681 59.834 58.200 -0.078 0.000 1.024 307 S CB -0.494 62.602 63.200 -0.172 0.000 0.861 307 S HN 0.945 nan 8.310 nan 0.000 0.456 308 H N 0.697 119.595 119.070 -0.288 0.000 2.541 308 H HA -0.006 4.549 4.556 -0.001 0.000 0.289 308 H C 1.424 176.748 175.328 -0.006 0.000 1.054 308 H CA 1.465 57.330 56.048 -0.305 0.000 1.250 308 H CB -1.213 28.498 29.762 -0.084 0.000 1.369 308 H HN 0.298 nan 8.280 nan 0.000 0.578 309 T N 0.748 115.077 114.554 -0.374 0.000 2.942 309 T HA -0.052 4.298 4.350 -0.001 0.000 0.265 309 T C 0.830 175.576 174.700 0.077 0.000 1.062 309 T CA 0.285 62.293 62.100 -0.154 0.000 1.139 309 T CB 0.193 68.940 68.868 -0.201 0.000 0.883 309 T HN 0.366 nan 8.240 nan 0.000 0.468 310 E N 1.552 121.842 120.200 0.151 0.000 2.442 310 E HA 0.028 4.378 4.350 -0.001 0.000 0.260 310 E C 0.037 176.877 176.600 0.401 0.000 1.148 310 E CA 0.166 56.756 56.400 0.316 0.000 0.976 310 E CB 0.248 30.197 29.700 0.415 0.000 0.967 310 E HN 0.469 nan 8.360 nan 0.000 0.454 311 H N -0.442 118.767 119.070 0.231 0.000 2.679 311 H HA 0.253 4.808 4.556 -0.001 0.000 0.369 311 H C -0.518 174.800 175.328 -0.018 0.000 1.178 311 H CA 0.680 56.798 56.048 0.116 0.000 1.419 311 H CB 0.873 30.692 29.762 0.096 0.000 1.458 311 H HN 0.329 nan 8.280 nan 0.000 0.605 312 T N 2.133 116.029 114.554 -1.097 0.000 3.289 312 T HA 0.164 4.513 4.350 -0.001 0.000 0.370 312 T C -0.452 173.798 174.700 -0.751 0.000 1.546 312 T CA -0.293 61.342 62.100 -0.774 0.000 1.144 312 T CB 0.500 68.797 68.868 -0.951 0.000 1.379 312 T HN 0.708 nan 8.240 nan 0.000 0.478 313 T N 3.768 118.042 114.554 -0.466 0.000 3.129 313 T HA 0.333 4.682 4.350 -0.001 0.000 0.267 313 T C -0.616 173.760 174.700 -0.539 0.000 1.018 313 T CA 0.102 61.926 62.100 -0.461 0.000 0.903 313 T CB -0.305 68.326 68.868 -0.394 0.000 1.067 313 T HN 0.548 nan 8.240 nan 0.000 0.549 314 Y N 1.299 121.520 120.300 -0.133 0.000 2.487 314 Y HA 0.697 5.247 4.550 -0.001 0.000 0.337 314 Y C 0.555 176.426 175.900 -0.048 0.000 1.076 314 Y CA -1.937 56.127 58.100 -0.061 0.000 1.115 314 Y CB 0.757 39.207 38.460 -0.017 0.000 1.235 314 Y HN 0.061 nan 8.280 nan 0.000 0.468 315 A N 1.203 124.109 122.820 0.143 0.000 2.483 315 A HA 0.403 4.723 4.320 -0.001 0.000 0.238 315 A C 1.466 179.130 177.584 0.135 0.000 1.070 315 A CA 0.267 52.363 52.037 0.098 0.000 0.770 315 A CB -0.236 18.812 19.000 0.081 0.000 1.008 315 A HN 1.109 nan 8.150 nan 0.000 0.497 316 A N 1.683 124.579 122.820 0.126 0.000 1.927 316 A HA -0.241 4.078 4.320 -0.001 0.000 0.220 316 A C 1.621 179.315 177.584 0.183 0.000 1.185 316 A CA 2.129 54.276 52.037 0.184 0.000 0.639 316 A CB -0.749 18.348 19.000 0.160 0.000 0.820 316 A HN 0.925 nan 8.150 nan 0.000 0.451 317 D N -0.702 119.765 120.400 0.111 0.000 2.309 317 D HA -0.175 4.464 4.640 -0.001 0.000 0.212 317 D C 1.799 178.132 176.300 0.056 0.000 0.968 317 D CA 1.000 55.039 54.000 0.066 0.000 0.882 317 D CB -0.460 40.366 40.800 0.043 0.000 0.918 317 D HN 0.545 nan 8.370 nan 0.000 0.503 318 R N -0.920 119.641 120.500 0.101 0.000 2.153 318 R HA 0.086 4.425 4.340 -0.001 0.000 0.218 318 R C 0.524 176.869 176.300 0.076 0.000 1.072 318 R CA 0.033 56.180 56.100 0.077 0.000 0.990 318 R CB -0.005 30.352 30.300 0.094 0.000 0.889 318 R HN 0.142 nan 8.270 nan 0.000 0.452 319 F N 1.167 121.108 119.950 -0.015 0.000 2.379 319 F HA 0.383 4.909 4.527 -0.001 0.000 0.332 319 F C -0.417 175.331 175.800 -0.087 0.000 1.096 319 F CA -0.419 57.565 58.000 -0.028 0.000 1.105 319 F CB 1.030 40.057 39.000 0.044 0.000 1.189 319 F HN -0.393 nan 8.300 nan 0.000 0.515 320 K N 3.691 123.305 120.400 -1.311 0.000 2.550 320 K HA 0.237 4.556 4.320 -0.001 0.000 0.252 320 K C -1.741 174.131 176.600 -1.213 0.000 0.943 320 K CA -0.616 55.052 56.287 -1.032 0.000 0.806 320 K CB 1.644 33.549 32.500 -0.991 0.000 1.289 320 K HN 0.729 nan 8.250 nan 0.000 0.435 321 Q N 3.313 122.672 119.800 -0.735 0.000 2.325 321 Q HA 0.478 4.818 4.340 -0.001 0.000 0.270 321 Q C -1.459 174.425 176.000 -0.193 0.000 1.020 321 Q CA -0.841 54.667 55.803 -0.492 0.000 0.785 321 Q CB 1.735 30.226 28.738 -0.411 0.000 1.259 321 Q HN 0.383 nan 8.270 nan 0.000 0.452 322 V N 5.066 124.884 119.914 -0.160 0.000 2.311 322 V HA 0.214 4.334 4.120 -0.001 0.000 0.275 322 V C -0.228 175.888 176.094 0.036 0.000 1.022 322 V CA -0.679 61.601 62.300 -0.033 0.000 0.830 322 V CB 1.210 33.009 31.823 -0.039 0.000 1.012 322 V HN 0.817 nan 8.190 nan 0.000 0.452 323 D N 3.653 124.085 120.400 0.054 0.000 2.362 323 D HA 0.297 4.937 4.640 -0.001 0.000 0.242 323 D C 1.152 177.537 176.300 0.142 0.000 1.132 323 D CA 0.972 55.021 54.000 0.081 0.000 0.907 323 D CB 1.514 42.343 40.800 0.049 0.000 1.195 323 D HN 0.882 nan 8.370 nan 0.000 0.429 324 G N 1.486 110.377 108.800 0.152 0.000 2.350 324 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.298 324 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.298 324 G C -0.148 174.935 174.900 0.304 0.000 1.037 324 G CA 0.099 45.312 45.100 0.187 0.000 1.074 324 G HN 0.368 nan 8.290 nan 0.000 0.511 325 F N 0.209 120.231 119.950 0.119 0.000 2.399 325 F HA 0.808 5.335 4.527 -0.001 0.000 0.328 325 F C 0.570 176.468 175.800 0.164 0.000 1.084 325 F CA -1.719 56.377 58.000 0.160 0.000 1.053 325 F CB 0.928 39.976 39.000 0.080 0.000 1.209 325 F HN 0.077 nan 8.300 nan 0.000 0.502 326 Y N 2.199 121.843 120.300 -1.094 0.000 3.288 326 Y HA 0.842 5.392 4.550 -0.001 0.000 0.346 326 Y C 0.287 175.412 175.900 -1.292 0.000 1.333 326 Y CA 0.008 57.569 58.100 -0.899 0.000 0.853 326 Y CB -0.024 38.183 38.460 -0.422 0.000 1.155 326 Y HN 0.747 nan 8.280 nan 0.000 0.862 338 A N 2.780 125.457 122.820 -0.239 0.000 2.381 338 A HA 0.857 5.177 4.320 -0.001 0.000 0.299 338 A C -2.816 174.544 177.584 -0.374 0.000 1.049 338 A CA -1.358 50.528 52.037 -0.250 0.000 0.715 338 A CB 0.900 19.829 19.000 -0.118 0.000 1.222 338 A HN 0.457 nan 8.150 nan 0.000 0.428 339 P HA 0.317 nan 4.420 nan 0.000 0.269 339 P C 0.150 177.372 177.300 -0.129 0.000 1.211 339 P CA 0.446 63.311 63.100 -0.392 0.000 0.781 339 P CB 0.543 32.141 31.700 -0.170 0.000 0.877 340 T N -3.057 111.490 114.554 -0.012 0.000 2.843 340 T HA 0.411 4.761 4.350 -0.001 0.000 0.302 340 T C -0.713 174.097 174.700 0.184 0.000 1.232 340 T CA -0.795 61.366 62.100 0.101 0.000 1.009 340 T CB 0.864 69.808 68.868 0.126 0.000 1.254 340 T HN 0.105 nan 8.240 nan 0.000 0.504 341 T N 2.462 117.130 114.554 0.189 0.000 2.863 341 T HA 0.403 4.752 4.350 -0.001 0.000 0.299 341 T C 0.125 174.895 174.700 0.116 0.000 0.973 341 T CA -0.355 61.837 62.100 0.153 0.000 0.994 341 T CB -0.200 68.776 68.868 0.180 0.000 0.961 341 T HN 0.559 nan 8.240 nan 0.000 0.552 342 R N 3.571 124.110 120.500 0.065 0.000 2.267 342 R HA 0.292 4.631 4.340 -0.001 0.000 0.319 342 R C -0.228 175.902 176.300 -0.283 0.000 1.067 342 R CA -0.320 55.730 56.100 -0.083 0.000 0.936 342 R CB -0.011 30.119 30.300 -0.283 0.000 1.006 342 R HN 0.371 nan 8.270 nan 0.000 0.452 343 N N 3.006 121.444 118.700 -0.436 0.000 2.495 343 N HA 0.506 5.245 4.740 -0.001 0.000 0.280 343 N C -1.276 173.938 175.510 -0.494 0.000 1.168 343 N CA -0.256 52.395 53.050 -0.665 0.000 0.978 343 N CB 0.997 38.731 38.487 -1.255 0.000 1.191 343 N HN 0.322 nan 8.380 nan 0.000 0.497 344 L N 1.376 122.327 121.223 -0.454 0.000 2.596 344 L HA 0.384 4.723 4.340 -0.001 0.000 0.265 344 L C -1.511 175.342 176.870 -0.028 0.000 0.962 344 L CA -0.352 54.427 54.840 -0.101 0.000 0.891 344 L CB 1.548 43.577 42.059 -0.051 0.000 1.248 344 L HN 0.310 nan 8.230 nan 0.000 0.410 345 L N 2.283 123.669 121.223 0.272 0.000 2.322 345 L HA 0.797 5.137 4.340 -0.001 0.000 0.281 345 L C -0.266 176.656 176.870 0.088 0.000 1.014 345 L CA 0.310 55.276 54.840 0.211 0.000 0.815 345 L CB 2.099 44.345 42.059 0.313 0.000 1.247 345 L HN 0.548 nan 8.230 nan 0.000 0.421 346 T N 3.482 118.026 114.554 -0.017 0.000 2.821 346 T HA 0.474 4.824 4.350 -0.001 0.000 0.307 346 T C 0.061 174.674 174.700 -0.145 0.000 1.034 346 T CA -0.340 61.742 62.100 -0.031 0.000 0.953 346 T CB 0.558 69.448 68.868 0.036 0.000 0.968 346 T HN 0.817 nan 8.240 nan 0.000 0.462 347 T N 1.368 115.743 114.554 -0.299 0.000 2.897 347 T HA 0.436 4.785 4.350 -0.001 0.000 0.278 347 T C -1.785 172.818 174.700 -0.162 0.000 0.981 347 T CA -2.138 59.782 62.100 -0.300 0.000 0.973 347 T CB 1.050 69.563 68.868 -0.591 0.000 1.092 347 T HN 0.033 nan 8.240 nan 0.000 0.543 348 P HA -0.053 nan 4.420 nan 0.000 0.216 348 P C 1.011 178.316 177.300 0.009 0.000 1.150 348 P CA 1.373 64.492 63.100 0.032 0.000 0.843 348 P CB 0.092 31.833 31.700 0.068 0.000 0.787 349 K N -2.457 117.906 120.400 -0.062 0.000 2.360 349 K HA 0.214 4.534 4.320 -0.001 0.000 0.196 349 K C 0.188 176.860 176.600 0.120 0.000 1.049 349 K CA 0.129 56.423 56.287 0.012 0.000 1.049 349 K CB 0.477 33.031 32.500 0.090 0.000 0.881 349 K HN 0.234 nan 8.250 nan 0.000 0.542 350 F N -2.872 117.095 119.950 0.029 0.000 2.842 350 F HA 0.328 4.854 4.527 -0.001 0.000 0.319 350 F C -1.510 174.375 175.800 0.142 0.000 1.159 350 F CA -1.131 56.931 58.000 0.104 0.000 0.902 350 F CB 1.030 40.078 39.000 0.079 0.000 1.311 350 F HN -0.414 nan 8.300 nan 0.000 0.453 351 T N 2.246 117.115 114.554 0.524 0.000 2.786 351 T HA 0.606 4.956 4.350 -0.001 0.000 0.283 351 T C -1.379 173.716 174.700 0.658 0.000 0.992 351 T CA -0.637 61.724 62.100 0.435 0.000 0.954 351 T CB 1.382 70.449 68.868 0.331 0.000 0.934 351 T HN 0.838 nan 8.240 nan 0.000 0.440 352 V N 3.134 123.419 119.914 0.618 0.000 2.555 352 V HA 0.919 5.039 4.120 -0.001 0.000 0.302 352 V C -0.732 175.776 176.094 0.689 0.000 1.038 352 V CA -0.584 62.096 62.300 0.633 0.000 0.887 352 V CB 1.219 33.444 31.823 0.670 0.000 0.991 352 V HN 1.049 nan 8.190 nan 0.000 0.434 353 A N 6.348 129.558 122.820 0.650 0.000 2.374 353 A HA 1.009 5.329 4.320 -0.001 0.000 0.317 353 A C -1.303 176.699 177.584 0.696 0.000 1.094 353 A CA -0.484 51.906 52.037 0.588 0.000 0.765 353 A CB 1.325 20.583 19.000 0.430 0.000 1.268 353 A HN 1.832 nan 8.150 nan 0.000 0.438 354 W N 0.979 122.425 121.300 0.244 0.000 3.479 354 W HA 0.565 5.224 4.660 -0.001 0.000 0.304 354 W C -1.749 174.899 176.519 0.216 0.000 1.243 354 W CA -0.825 56.666 57.345 0.243 0.000 1.202 354 W CB 0.605 30.247 29.460 0.303 0.000 1.346 354 W HN 0.507 nan 8.180 nan 0.000 0.539 355 D N 2.540 123.112 120.400 0.287 0.000 2.401 355 D HA -0.015 4.625 4.640 -0.001 0.000 0.254 355 D C -0.473 175.910 176.300 0.137 0.000 1.192 355 D CA 0.597 54.702 54.000 0.175 0.000 0.885 355 D CB 0.555 41.473 40.800 0.197 0.000 1.147 355 D HN 0.547 nan 8.370 nan 0.000 0.478 356 W N 3.918 125.153 121.300 -0.108 0.000 2.202 356 W HA 0.360 5.020 4.660 -0.001 0.000 0.332 356 W C -0.517 176.031 176.519 0.048 0.000 1.263 356 W CA -0.328 56.977 57.345 -0.066 0.000 1.223 356 W CB 0.592 29.985 29.460 -0.111 0.000 1.128 356 W HN 0.200 nan 8.180 nan 0.000 0.573 357 V N 3.807 123.079 119.914 -1.070 0.000 3.012 357 V HA 0.605 4.725 4.120 -0.001 0.000 0.307 357 V C -2.554 172.637 176.094 -1.504 0.000 1.166 357 V CA -2.734 58.940 62.300 -1.043 0.000 0.974 357 V CB 1.593 33.207 31.823 -0.349 0.000 1.040 357 V HN 0.584 nan 8.190 nan 0.000 0.428 358 P HA 0.130 nan 4.420 nan 0.000 0.268 358 P C 0.252 177.176 177.300 -0.627 0.000 1.205 358 P CA 0.067 62.761 63.100 -0.676 0.000 0.771 358 P CB 1.456 32.974 31.700 -0.304 0.000 0.858 359 K N 3.237 123.198 120.400 -0.732 0.000 1.965 359 K HA -0.193 4.127 4.320 -0.001 0.000 0.214 359 K C 2.158 178.253 176.600 -0.841 0.000 1.046 359 K CA 1.055 56.520 56.287 -1.370 0.000 0.944 359 K CB -0.237 31.619 32.500 -1.073 0.000 0.726 359 K HN 0.204 nan 8.250 nan 0.000 0.441 360 R N 0.238 120.445 120.500 -0.487 0.000 2.248 360 R HA -0.194 4.146 4.340 -0.001 0.000 0.236 360 R C -0.380 175.749 176.300 -0.284 0.000 1.111 360 R CA 2.487 58.398 56.100 -0.316 0.000 0.894 360 R CB -2.026 28.156 30.300 -0.196 0.000 0.905 360 R HN 0.322 nan 8.270 nan 0.000 0.426 361 P HA 0.013 nan 4.420 nan 0.000 0.218 361 P C 1.307 178.497 177.300 -0.184 0.000 1.149 361 P CA 1.286 64.282 63.100 -0.172 0.000 0.817 361 P CB 0.003 31.626 31.700 -0.128 0.000 0.785 362 S N -0.551 114.980 115.700 -0.282 0.000 2.348 362 S HA -0.058 4.411 4.470 -0.001 0.000 0.221 362 S C 1.161 175.619 174.600 -0.237 0.000 1.033 362 S CA 1.210 59.267 58.200 -0.238 0.000 1.010 362 S CB -0.992 62.013 63.200 -0.325 0.000 0.891 362 S HN 0.062 nan 8.310 nan 0.000 0.442 363 V N -1.722 117.913 119.914 -0.465 0.000 2.834 363 V HA 0.780 4.899 4.120 -0.001 0.000 0.313 363 V C -0.204 175.783 176.094 -0.178 0.000 1.060 363 V CA -1.241 60.835 62.300 -0.373 0.000 0.989 363 V CB 1.291 32.644 31.823 -0.782 0.000 1.041 363 V HN 0.321 nan 8.190 nan 0.000 0.459 364 c N 1.898 120.481 118.600 -0.029 0.000 2.783 364 c HA 0.623 5.192 4.570 -0.001 0.000 0.312 364 c C 1.243 175.396 174.090 0.105 0.000 1.182 364 c CA 0.400 56.748 56.329 0.031 0.000 1.432 364 c CB 1.671 44.212 42.510 0.052 0.000 1.933 364 c HN 1.125 nan 8.230 nan 0.000 0.473 365 T N 3.769 118.369 114.554 0.076 0.000 3.107 365 T HA 0.314 4.664 4.350 -0.001 0.000 0.249 365 T C 0.371 175.089 174.700 0.030 0.000 1.096 365 T CA 0.593 62.726 62.100 0.055 0.000 1.012 365 T CB -0.408 68.451 68.868 -0.014 0.000 0.977 365 T HN 0.599 nan 8.240 nan 0.000 0.527 366 M N 0.857 120.496 119.600 0.064 0.000 2.658 366 M HA 0.456 4.935 4.480 -0.001 0.000 0.295 366 M C -0.825 175.598 176.300 0.204 0.000 1.248 366 M CA -0.519 54.848 55.300 0.111 0.000 0.843 366 M CB 2.044 34.699 32.600 0.091 0.000 1.749 366 M HN -0.136 nan 8.290 nan 0.000 0.464 367 T N 0.741 115.455 114.554 0.267 0.000 2.921 367 T HA 0.328 4.678 4.350 -0.001 0.000 0.297 367 T C -0.496 174.347 174.700 0.237 0.000 1.013 367 T CA -0.802 61.449 62.100 0.251 0.000 0.990 367 T CB 2.258 71.216 68.868 0.149 0.000 1.023 367 T HN 0.557 nan 8.240 nan 0.000 0.447 368 K N 1.553 122.002 120.400 0.083 0.000 2.447 368 K HA 0.057 4.377 4.320 -0.001 0.000 0.281 368 K C -0.085 176.468 176.600 -0.080 0.000 1.031 368 K CA 0.002 56.035 56.287 -0.423 0.000 1.019 368 K CB 0.399 32.706 32.500 -0.321 0.000 0.918 368 K HN 0.724 nan 8.250 nan 0.000 0.476 369 W N 3.415 124.523 121.300 -0.320 0.000 3.127 369 W HA 0.164 4.824 4.660 -0.001 0.000 0.248 369 W C -0.433 176.009 176.519 -0.127 0.000 1.058 369 W CA 0.495 57.765 57.345 -0.126 0.000 1.783 369 W CB 0.750 30.205 29.460 -0.008 0.000 1.030 369 W HN 0.419 nan 8.180 nan 0.000 0.653 370 Q N 1.512 121.113 119.800 -0.332 0.000 2.347 370 Q HA 0.262 4.602 4.340 -0.001 0.000 0.271 370 Q C -1.431 174.394 176.000 -0.293 0.000 1.064 370 Q CA -0.414 55.097 55.803 -0.487 0.000 0.800 370 Q CB 2.062 30.342 28.738 -0.764 0.000 1.304 370 Q HN 0.192 nan 8.270 nan 0.000 0.438 371 E N 1.630 121.694 120.200 -0.227 0.000 2.081 371 E HA 0.381 4.731 4.350 -0.001 0.000 0.276 371 E C -0.804 175.732 176.600 -0.107 0.000 0.950 371 E CA -0.437 55.882 56.400 -0.136 0.000 0.776 371 E CB 1.587 31.229 29.700 -0.096 0.000 1.094 371 E HN 0.177 nan 8.360 nan 0.000 0.402 372 V N 4.101 123.976 119.914 -0.064 0.000 2.328 372 V HA 0.033 4.152 4.120 -0.001 0.000 0.278 372 V C 0.454 176.570 176.094 0.037 0.000 1.021 372 V CA -0.523 61.762 62.300 -0.025 0.000 0.838 372 V CB 1.284 33.104 31.823 -0.005 0.000 0.999 372 V HN 0.626 nan 8.190 nan 0.000 0.447 373 D N 2.807 123.233 120.400 0.043 0.000 2.087 373 D HA -0.117 4.523 4.640 -0.001 0.000 0.192 373 D C 0.765 177.176 176.300 0.184 0.000 0.993 373 D CA 1.649 55.720 54.000 0.118 0.000 0.828 373 D CB 0.248 41.087 40.800 0.064 0.000 0.968 373 D HN 0.718 nan 8.370 nan 0.000 0.448 374 E N -0.105 120.175 120.200 0.132 0.000 2.173 374 E HA 0.272 4.622 4.350 -0.001 0.000 0.249 374 E C -0.749 175.932 176.600 0.136 0.000 0.923 374 E CA -0.413 56.077 56.400 0.149 0.000 0.754 374 E CB 1.239 31.008 29.700 0.116 0.000 1.177 374 E HN 0.025 nan 8.360 nan 0.000 0.430 375 M N 4.240 123.957 119.600 0.195 0.000 2.066 375 M HA 0.280 4.759 4.480 -0.001 0.000 0.340 375 M C -1.585 174.877 176.300 0.270 0.000 1.053 375 M CA -0.386 55.064 55.300 0.251 0.000 0.983 375 M CB 0.421 33.232 32.600 0.351 0.000 1.520 375 M HN 0.365 nan 8.290 nan 0.000 0.428 376 L N 4.622 125.949 121.223 0.174 0.000 2.371 376 L HA 0.557 4.897 4.340 -0.001 0.000 0.272 376 L C 0.272 177.152 176.870 0.016 0.000 1.124 376 L CA -0.501 54.427 54.840 0.146 0.000 0.816 376 L CB 0.819 42.949 42.059 0.118 0.000 1.129 376 L HN 0.651 nan 8.230 nan 0.000 0.448 377 R N 2.135 122.578 120.500 -0.096 0.000 2.686 377 R HA 0.679 5.018 4.340 -0.001 0.000 0.286 377 R C -1.236 174.936 176.300 -0.213 0.000 0.969 377 R CA -0.246 55.554 56.100 -0.499 0.000 0.898 377 R CB 2.191 31.821 30.300 -1.117 0.000 1.183 377 R HN 0.855 nan 8.270 nan 0.000 0.456 378 S N 1.537 117.116 115.700 -0.201 0.000 2.607 378 S HA 0.448 4.918 4.470 -0.001 0.000 0.273 378 S C -1.280 173.339 174.600 0.031 0.000 1.148 378 S CA -0.938 57.194 58.200 -0.114 0.000 0.833 378 S CB 2.381 65.417 63.200 -0.273 0.000 1.130 378 S HN 0.633 nan 8.310 nan 0.000 0.470 379 E N 0.349 120.566 120.200 0.028 0.000 2.272 379 E HA 0.575 4.924 4.350 -0.001 0.000 0.269 379 E C -2.234 174.391 176.600 0.042 0.000 0.877 379 E CA -0.588 55.809 56.400 -0.005 0.000 0.755 379 E CB 2.168 31.787 29.700 -0.135 0.000 1.192 379 E HN 0.774 nan 8.360 nan 0.000 0.422 380 Y N 1.177 121.409 120.300 -0.114 0.000 2.521 380 Y HA 0.366 4.915 4.550 -0.001 0.000 0.326 380 Y C 0.190 176.048 175.900 -0.070 0.000 1.176 380 Y CA 0.340 58.390 58.100 -0.085 0.000 1.079 380 Y CB 1.677 40.101 38.460 -0.060 0.000 1.341 380 Y HN 0.669 nan 8.280 nan 0.000 0.456 381 G N 2.519 110.682 108.800 -1.062 0.000 2.225 381 G HA2 0.079 4.038 3.960 -0.001 0.000 0.267 381 G HA3 0.079 4.038 3.960 -0.001 0.000 0.267 381 G C 0.958 175.671 174.900 -0.311 0.000 1.024 381 G CA 1.050 45.759 45.100 -0.651 0.000 0.784 381 G HN 2.246 nan 8.290 nan 0.000 0.507 382 G N -2.073 106.548 108.800 -0.297 0.000 2.246 382 G HA2 0.161 4.121 3.960 -0.001 0.000 0.273 382 G HA3 0.161 4.121 3.960 -0.001 0.000 0.273 382 G C 0.229 175.010 174.900 -0.198 0.000 1.055 382 G CA 1.445 46.411 45.100 -0.223 0.000 0.851 382 G HN 2.217 nan 8.290 nan 0.000 0.500 383 S N -1.540 114.027 115.700 -0.221 0.000 2.550 383 S HA 0.774 5.244 4.470 -0.001 0.000 0.270 383 S C -0.939 173.560 174.600 -0.169 0.000 1.145 383 S CA -0.751 57.363 58.200 -0.144 0.000 0.852 383 S CB 0.927 64.124 63.200 -0.004 0.000 1.119 383 S HN 0.576 nan 8.310 nan 0.000 0.465 384 F N 2.188 122.142 119.950 0.007 0.000 2.399 384 F HA 0.674 5.200 4.527 -0.001 0.000 0.334 384 F C 0.638 176.423 175.800 -0.025 0.000 1.097 384 F CA -0.569 57.367 58.000 -0.108 0.000 1.076 384 F CB 1.329 40.206 39.000 -0.206 0.000 1.162 384 F HN 0.449 nan 8.300 nan 0.000 0.495 385 R N 2.563 123.111 120.500 0.079 0.000 2.393 385 R HA 0.468 4.808 4.340 -0.001 0.000 0.315 385 R C -1.746 174.500 176.300 -0.090 0.000 0.952 385 R CA -0.441 55.726 56.100 0.111 0.000 0.842 385 R CB 0.659 31.032 30.300 0.121 0.000 1.163 385 R HN 0.323 nan 8.270 nan 0.000 0.450 386 F N 1.697 121.711 119.950 0.107 0.000 2.375 386 F HA 0.384 4.910 4.527 -0.001 0.000 0.361 386 F C 0.263 176.173 175.800 0.183 0.000 1.117 386 F CA -0.591 57.448 58.000 0.065 0.000 1.037 386 F CB 1.659 40.668 39.000 0.016 0.000 1.192 386 F HN 0.390 nan 8.300 nan 0.000 0.452 387 S N 1.204 117.068 115.700 0.272 0.000 2.473 387 S HA 0.662 5.131 4.470 -0.001 0.000 0.307 387 S C -0.464 174.265 174.600 0.216 0.000 1.094 387 S CA -0.751 57.612 58.200 0.272 0.000 1.070 387 S CB 1.765 65.141 63.200 0.292 0.000 1.019 387 S HN 0.460 nan 8.310 nan 0.000 0.480 388 S N 1.675 117.445 115.700 0.116 0.000 2.566 388 S HA 0.240 4.710 4.470 -0.001 0.000 0.324 388 S C 0.606 175.099 174.600 -0.179 0.000 1.081 388 S CA -0.675 57.525 58.200 0.001 0.000 1.105 388 S CB 1.002 64.184 63.200 -0.029 0.000 0.981 388 S HN 0.848 nan 8.310 nan 0.000 0.464 389 D N 4.570 124.944 120.400 -0.042 0.000 2.144 389 D HA -0.111 4.529 4.640 -0.001 0.000 0.199 389 D C 1.779 177.955 176.300 -0.207 0.000 0.984 389 D CA 1.291 55.252 54.000 -0.065 0.000 0.834 389 D CB 0.135 40.956 40.800 0.034 0.000 0.955 389 D HN 0.706 nan 8.370 nan 0.000 0.465 390 A N 1.101 123.823 122.820 -0.163 0.000 1.933 390 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 390 A C 2.262 179.707 177.584 -0.232 0.000 1.175 390 A CA 1.408 53.346 52.037 -0.166 0.000 0.628 390 A CB -0.544 18.384 19.000 -0.119 0.000 0.814 390 A HN 0.516 nan 8.150 nan 0.000 0.444 391 I N -5.063 115.327 120.570 -0.300 0.000 4.025 391 I HA 0.276 4.445 4.170 -0.001 0.000 0.336 391 I C 0.032 175.865 176.117 -0.473 0.000 1.390 391 I CA 0.248 61.352 61.300 -0.327 0.000 1.099 391 I CB 0.017 37.834 38.000 -0.305 0.000 1.049 391 I HN 0.020 nan 8.210 nan 0.000 0.394 392 S N 1.306 116.548 115.700 -0.763 0.000 3.524 392 S HA -0.152 4.318 4.470 -0.001 0.000 0.377 392 S C 0.119 174.065 174.600 -1.090 0.000 0.949 392 S CA 1.042 58.389 58.200 -1.422 0.000 1.264 392 S CB -1.990 60.765 63.200 -0.742 0.000 0.918 392 S HN 0.774 nan 8.310 nan 0.000 0.517 393 T N 1.523 115.538 114.554 -0.898 0.000 2.952 393 T HA 0.561 4.910 4.350 -0.001 0.000 0.305 393 T C -0.270 174.233 174.700 -0.329 0.000 1.064 393 T CA -0.599 61.167 62.100 -0.556 0.000 1.008 393 T CB 2.134 70.626 68.868 -0.627 0.000 1.078 393 T HN 0.156 nan 8.240 nan 0.000 0.459 394 T N 3.264 117.636 114.554 -0.303 0.000 2.815 394 T HA 0.586 4.935 4.350 -0.001 0.000 0.289 394 T C -0.750 173.805 174.700 -0.241 0.000 1.000 394 T CA -0.450 61.603 62.100 -0.078 0.000 0.958 394 T CB 0.109 69.049 68.868 0.120 0.000 0.944 394 T HN 0.325 nan 8.240 nan 0.000 0.442 395 F N 1.566 121.604 119.950 0.146 0.000 2.399 395 F HA 0.561 5.088 4.527 -0.001 0.000 0.328 395 F C 1.151 177.119 175.800 0.280 0.000 1.084 395 F CA -0.762 57.347 58.000 0.182 0.000 1.053 395 F CB 1.322 40.400 39.000 0.129 0.000 1.209 395 F HN 0.292 nan 8.300 nan 0.000 0.502 396 T N 0.782 115.618 114.554 0.470 0.000 2.807 396 T HA 0.640 4.989 4.350 -0.001 0.000 0.279 396 T C -0.265 174.653 174.700 0.364 0.000 0.993 396 T CA -0.762 61.563 62.100 0.376 0.000 0.970 396 T CB 1.491 70.533 68.868 0.289 0.000 0.950 396 T HN 0.795 nan 8.240 nan 0.000 0.441 397 T N 0.443 115.211 114.554 0.357 0.000 2.816 397 T HA 0.518 4.868 4.350 -0.001 0.000 0.299 397 T C -0.754 174.119 174.700 0.288 0.000 1.230 397 T CA -1.064 61.236 62.100 0.333 0.000 1.007 397 T CB 1.273 70.372 68.868 0.385 0.000 1.289 397 T HN 0.316 nan 8.240 nan 0.000 0.508 398 N N 0.420 119.287 118.700 0.278 0.000 2.381 398 N HA 0.301 5.040 4.740 -0.001 0.000 0.254 398 N C 1.272 176.939 175.510 0.261 0.000 1.264 398 N CA -0.536 52.632 53.050 0.196 0.000 0.942 398 N CB 0.616 39.216 38.487 0.188 0.000 1.190 398 N HN 0.601 nan 8.380 nan 0.000 0.495 399 L N 0.009 121.263 121.223 0.053 0.000 2.395 399 L HA 0.014 4.353 4.340 -0.001 0.000 0.218 399 L C 0.623 177.759 176.870 0.444 0.000 1.130 399 L CA 0.802 55.636 54.840 -0.011 0.000 0.826 399 L CB -0.375 41.506 42.059 -0.296 0.000 0.941 399 L HN 0.319 nan 8.230 nan 0.000 0.451 400 T N 0.820 115.587 114.554 0.355 0.000 2.771 400 T HA 0.171 4.521 4.350 -0.001 0.000 0.291 400 T C 0.289 175.196 174.700 0.346 0.000 0.954 400 T CA -0.459 61.827 62.100 0.311 0.000 1.045 400 T CB 1.102 70.074 68.868 0.174 0.000 0.917 400 T HN 0.121 nan 8.240 nan 0.000 0.484 401 E N 1.429 121.734 120.200 0.176 0.000 2.438 401 E HA 0.012 4.362 4.350 -0.001 0.000 0.261 401 E C -0.881 175.746 176.600 0.044 0.000 1.103 401 E CA 0.073 56.405 56.400 -0.113 0.000 0.959 401 E CB 0.478 30.057 29.700 -0.202 0.000 0.958 401 E HN 0.563 nan 8.360 nan 0.000 0.447 402 Y N 1.870 122.128 120.300 -0.070 0.000 2.335 402 Y HA 0.255 4.805 4.550 -0.001 0.000 0.339 402 Y C -2.213 173.659 175.900 -0.047 0.000 0.987 402 Y CA -2.797 55.297 58.100 -0.010 0.000 1.140 402 Y CB 1.107 39.580 38.460 0.023 0.000 1.173 402 Y HN 0.253 nan 8.280 nan 0.000 0.486 403 P HA -0.037 nan 4.420 nan 0.000 0.263 403 P C 0.548 177.667 177.300 -0.302 0.000 1.247 403 P CA 0.220 63.101 63.100 -0.365 0.000 0.876 403 P CB 0.475 31.942 31.700 -0.388 0.000 0.928 404 L N 4.263 125.375 121.223 -0.185 0.000 2.129 404 L HA -0.242 4.097 4.340 -0.001 0.000 0.212 404 L C 2.075 178.853 176.870 -0.155 0.000 1.087 404 L CA 2.329 57.051 54.840 -0.196 0.000 0.757 404 L CB -1.055 40.722 42.059 -0.470 0.000 0.896 404 L HN 0.312 nan 8.230 nan 0.000 0.434 405 S N -1.431 114.171 115.700 -0.163 0.000 2.474 405 S HA -0.209 4.261 4.470 -0.001 0.000 0.235 405 S C 2.089 176.630 174.600 -0.100 0.000 0.997 405 S CA 0.730 58.855 58.200 -0.125 0.000 0.949 405 S CB -0.652 62.479 63.200 -0.115 0.000 0.766 405 S HN 0.560 nan 8.310 nan 0.000 0.517 406 R N 1.101 121.523 120.500 -0.131 0.000 2.307 406 R HA 0.156 4.495 4.340 -0.001 0.000 0.199 406 R C -0.500 175.810 176.300 0.018 0.000 1.000 406 R CA 0.141 56.179 56.100 -0.103 0.000 1.023 406 R CB -0.065 30.077 30.300 -0.263 0.000 0.908 406 R HN 0.309 nan 8.270 nan 0.000 0.473 407 V N 2.889 122.830 119.914 0.045 0.000 2.389 407 V HA -0.015 4.104 4.120 -0.001 0.000 0.264 407 V C -0.071 176.029 176.094 0.009 0.000 1.049 407 V CA -0.534 61.802 62.300 0.060 0.000 0.932 407 V CB 0.997 32.839 31.823 0.031 0.000 1.011 407 V HN 0.159 nan 8.190 nan 0.000 0.475 408 D N 5.659 126.073 120.400 0.025 0.000 2.433 408 D HA 0.001 4.640 4.640 -0.001 0.000 0.274 408 D C 1.030 177.363 176.300 0.056 0.000 1.344 408 D CA 0.655 54.684 54.000 0.049 0.000 0.989 408 D CB 0.071 40.919 40.800 0.080 0.000 1.116 408 D HN 0.634 nan 8.370 nan 0.000 0.533 409 L N 2.205 123.443 121.223 0.025 0.000 5.081 409 L HA -0.243 4.097 4.340 -0.001 0.000 0.423 409 L C 1.424 178.272 176.870 -0.037 0.000 1.019 409 L CA 0.773 55.611 54.840 -0.004 0.000 1.223 409 L CB -1.503 40.600 42.059 0.073 0.000 1.940 409 L HN 0.533 nan 8.230 nan 0.000 0.675 410 G N -0.287 108.486 108.800 -0.045 0.000 3.263 410 G HA2 0.134 4.093 3.960 -0.001 0.000 0.246 410 G HA3 0.134 4.093 3.960 -0.001 0.000 0.246 410 G C 0.703 175.535 174.900 -0.113 0.000 0.982 410 G CA 0.196 45.250 45.100 -0.076 0.000 1.897 410 G HN 0.362 nan 8.290 nan 0.000 0.624 411 D N 0.125 120.466 120.400 -0.098 0.000 2.347 411 D HA -0.105 4.535 4.640 -0.001 0.000 0.215 411 D C 2.554 178.803 176.300 -0.085 0.000 0.976 411 D CA 0.928 54.865 54.000 -0.104 0.000 0.884 411 D CB 0.143 40.880 40.800 -0.104 0.000 0.915 411 D HN 0.583 nan 8.370 nan 0.000 0.526 412 c N -0.309 118.257 118.600 -0.056 0.000 2.464 412 c HA 0.111 4.680 4.570 -0.001 0.000 0.278 412 c C 2.662 176.751 174.090 -0.002 0.000 1.375 412 c CA -0.428 55.904 56.329 0.004 0.000 1.761 412 c CB -1.230 41.321 42.510 0.068 0.000 1.944 412 c HN 0.158 nan 8.230 nan 0.000 0.509 413 I N 2.673 123.141 120.570 -0.170 0.000 2.053 413 I HA -0.137 4.033 4.170 -0.001 0.000 0.236 413 I C 3.074 179.065 176.117 -0.211 0.000 1.038 413 I CA 2.200 63.210 61.300 -0.483 0.000 1.304 413 I CB -1.393 36.202 38.000 -0.676 0.000 1.023 413 I HN 0.473 nan 8.210 nan 0.000 0.395 414 G N 0.939 109.626 108.800 -0.188 0.000 2.469 414 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.219 414 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.219 414 G C 1.689 176.618 174.900 0.047 0.000 1.150 414 G CA 0.999 46.062 45.100 -0.062 0.000 0.763 414 G HN 0.401 nan 8.290 nan 0.000 0.561 415 K N 0.479 120.897 120.400 0.029 0.000 1.973 415 K HA -0.052 4.267 4.320 -0.001 0.000 0.212 415 K C 2.204 178.873 176.600 0.115 0.000 1.047 415 K CA 1.348 57.671 56.287 0.059 0.000 0.937 415 K CB -0.305 32.219 32.500 0.040 0.000 0.721 415 K HN 0.119 nan 8.250 nan 0.000 0.440 416 D N 1.103 121.605 120.400 0.171 0.000 2.133 416 D HA -0.192 4.447 4.640 -0.001 0.000 0.195 416 D C 1.972 178.430 176.300 0.264 0.000 0.997 416 D CA 1.547 55.687 54.000 0.233 0.000 0.840 416 D CB -0.331 40.683 40.800 0.357 0.000 0.947 416 D HN 0.270 nan 8.370 nan 0.000 0.452 417 A N 1.206 124.250 122.820 0.374 0.000 1.873 417 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 417 A C 2.238 179.925 177.584 0.171 0.000 1.193 417 A CA 1.837 54.074 52.037 0.332 0.000 0.629 417 A CB -0.615 18.612 19.000 0.379 0.000 0.826 417 A HN 0.123 nan 8.150 nan 0.000 0.447 418 R N -0.516 120.068 120.500 0.140 0.000 2.073 418 R HA -0.170 4.170 4.340 -0.001 0.000 0.234 418 R C 1.721 178.064 176.300 0.071 0.000 1.134 418 R CA 1.908 58.057 56.100 0.083 0.000 0.952 418 R CB -0.431 29.910 30.300 0.069 0.000 0.850 418 R HN 0.546 nan 8.270 nan 0.000 0.433 419 D N 0.107 120.555 120.400 0.081 0.000 2.106 419 D HA -0.183 4.457 4.640 -0.001 0.000 0.191 419 D C 1.747 178.086 176.300 0.066 0.000 0.997 419 D CA 1.896 55.936 54.000 0.068 0.000 0.834 419 D CB -0.226 40.615 40.800 0.069 0.000 0.956 419 D HN 0.366 nan 8.370 nan 0.000 0.448 420 A N 0.237 123.100 122.820 0.072 0.000 1.845 420 A HA -0.198 4.121 4.320 -0.001 0.000 0.215 420 A C 2.208 179.829 177.584 0.062 0.000 1.195 420 A CA 1.734 53.804 52.037 0.055 0.000 0.616 420 A CB -0.834 18.191 19.000 0.042 0.000 0.832 420 A HN 0.161 nan 8.150 nan 0.000 0.443 421 M N -0.250 119.387 119.600 0.061 0.000 2.089 421 M HA -0.249 4.231 4.480 -0.001 0.000 0.257 421 M C 1.517 177.868 176.300 0.085 0.000 1.071 421 M CA 2.301 57.629 55.300 0.047 0.000 1.096 421 M CB -0.398 32.205 32.600 0.005 0.000 1.330 421 M HN 0.436 nan 8.290 nan 0.000 0.403 422 D N -1.027 119.420 120.400 0.079 0.000 2.117 422 D HA -0.179 4.461 4.640 -0.001 0.000 0.198 422 D C 1.958 178.352 176.300 0.156 0.000 0.982 422 D CA 1.249 55.320 54.000 0.119 0.000 0.828 422 D CB -0.486 40.361 40.800 0.079 0.000 0.967 422 D HN 0.418 nan 8.370 nan 0.000 0.464 423 R N 0.686 121.249 120.500 0.104 0.000 2.091 423 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 423 R C 2.433 178.789 176.300 0.094 0.000 1.136 423 R CA 1.045 57.195 56.100 0.084 0.000 0.959 423 R CB -0.292 30.040 30.300 0.054 0.000 0.856 423 R HN 0.144 nan 8.270 nan 0.000 0.437 424 I N 0.018 120.657 120.570 0.115 0.000 2.252 424 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 424 I C 2.141 178.389 176.117 0.217 0.000 1.102 424 I CA 0.957 62.338 61.300 0.134 0.000 1.385 424 I CB -0.349 37.734 38.000 0.138 0.000 1.064 424 I HN 0.178 nan 8.210 nan 0.000 0.414 425 F N 1.924 121.943 119.950 0.115 0.000 2.091 425 F HA -0.303 4.224 4.527 -0.001 0.000 0.299 425 F C 2.438 178.319 175.800 0.136 0.000 1.103 425 F CA 1.484 59.579 58.000 0.157 0.000 1.228 425 F CB -0.547 38.489 39.000 0.059 0.000 0.984 425 F HN 0.030 nan 8.300 nan 0.000 0.477 426 A N 0.758 123.632 122.820 0.091 0.000 1.834 426 A HA -0.264 4.056 4.320 -0.001 0.000 0.216 426 A C 2.407 179.937 177.584 -0.089 0.000 1.203 426 A CA 2.052 54.073 52.037 -0.027 0.000 0.621 426 A CB -1.173 17.863 19.000 0.060 0.000 0.841 426 A HN 0.475 nan 8.150 nan 0.000 0.446 427 R N -0.836 119.641 120.500 -0.038 0.000 2.139 427 R HA -0.162 4.177 4.340 -0.001 0.000 0.243 427 R C 2.176 178.398 176.300 -0.131 0.000 1.145 427 R CA 2.092 58.153 56.100 -0.065 0.000 0.976 427 R CB -0.131 30.147 30.300 -0.037 0.000 0.866 427 R HN 0.575 nan 8.270 nan 0.000 0.449 428 R N -2.192 118.202 120.500 -0.177 0.000 2.492 428 R HA 0.064 4.403 4.340 -0.001 0.000 0.219 428 R C 0.536 176.517 176.300 -0.533 0.000 0.886 428 R CA 0.077 55.951 56.100 -0.376 0.000 1.003 428 R CB 0.478 30.469 30.300 -0.515 0.000 1.345 428 R HN 0.209 nan 8.270 nan 0.000 0.631 429 Y N 0.824 120.924 120.300 -0.333 0.000 2.453 429 Y HA 0.142 4.692 4.550 -0.001 0.000 0.247 429 Y C 1.708 177.256 175.900 -0.585 0.000 1.124 429 Y CA -0.072 57.815 58.100 -0.356 0.000 1.243 429 Y CB 0.252 38.559 38.460 -0.255 0.000 1.213 429 Y HN 0.139 nan 8.280 nan 0.000 0.523 430 N N 1.678 119.934 118.700 -0.741 0.000 2.192 430 N HA -0.203 4.536 4.740 -0.001 0.000 0.188 430 N C 1.430 176.828 175.510 -0.187 0.000 1.013 430 N CA 1.783 54.464 53.050 -0.616 0.000 0.863 430 N CB -0.249 38.013 38.487 -0.377 0.000 0.990 430 N HN 0.291 nan 8.380 nan 0.000 0.430 431 A N -1.239 121.507 122.820 -0.123 0.000 2.275 431 A HA 0.268 4.588 4.320 -0.001 0.000 0.212 431 A C 1.096 178.676 177.584 -0.007 0.000 1.201 431 A CA 0.498 52.507 52.037 -0.047 0.000 0.843 431 A CB 0.128 19.097 19.000 -0.051 0.000 0.873 431 A HN 0.443 nan 8.150 nan 0.000 0.492 432 T N -1.611 112.971 114.554 0.046 0.000 3.147 432 T HA 0.239 4.588 4.350 -0.001 0.000 0.275 432 T C 0.151 174.811 174.700 -0.067 0.000 0.879 432 T CA -0.083 62.040 62.100 0.038 0.000 0.863 432 T CB 0.129 69.070 68.868 0.122 0.000 1.236 432 T HN 0.548 nan 8.240 nan 0.000 0.582 433 H N 0.070 119.213 119.070 0.120 0.000 2.946 433 H HA 0.654 5.209 4.556 -0.001 0.000 0.365 433 H C -1.388 174.106 175.328 0.276 0.000 1.197 433 H CA -0.811 55.354 56.048 0.195 0.000 1.131 433 H CB 2.123 32.053 29.762 0.280 0.000 1.849 433 H HN -0.016 nan 8.280 nan 0.000 0.555 434 I N 0.940 121.718 120.570 0.346 0.000 2.608 434 I HA 0.201 4.371 4.170 -0.001 0.000 0.295 434 I C -0.032 176.164 176.117 0.131 0.000 1.049 434 I CA -0.724 60.742 61.300 0.276 0.000 1.063 434 I CB 1.809 39.890 38.000 0.136 0.000 1.248 434 I HN 0.231 nan 8.210 nan 0.000 0.424 435 K N 3.012 123.370 120.400 -0.070 0.000 2.258 435 K HA 0.564 4.883 4.320 -0.001 0.000 0.264 435 K C -0.980 175.555 176.600 -0.108 0.000 1.007 435 K CA -0.427 55.733 56.287 -0.212 0.000 0.941 435 K CB 0.979 33.225 32.500 -0.423 0.000 0.966 435 K HN 0.324 nan 8.250 nan 0.000 0.480 436 V N 2.250 122.102 119.914 -0.104 0.000 2.419 436 V HA 0.439 4.558 4.120 -0.001 0.000 0.287 436 V C 0.288 176.348 176.094 -0.057 0.000 1.017 436 V CA -0.181 62.087 62.300 -0.053 0.000 0.844 436 V CB 0.607 32.419 31.823 -0.018 0.000 1.011 436 V HN 1.118 nan 8.190 nan 0.000 0.429 437 G N 4.467 113.241 108.800 -0.044 0.000 2.725 437 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.220 437 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.220 437 G C -0.523 174.345 174.900 -0.054 0.000 1.357 437 G CA 0.040 45.122 45.100 -0.030 0.000 0.866 437 G HN 1.000 nan 8.290 nan 0.000 0.548 438 Q N -0.115 119.666 119.800 -0.030 0.000 2.205 438 Q HA 0.681 5.021 4.340 -0.001 0.000 0.249 438 Q C -2.724 173.247 176.000 -0.049 0.000 0.948 438 Q CA -1.991 53.792 55.803 -0.033 0.000 0.895 438 Q CB 0.405 29.145 28.738 0.002 0.000 1.249 438 Q HN 0.361 nan 8.270 nan 0.000 0.458 439 P HA 0.030 nan 4.420 nan 0.000 0.265 439 P C -0.902 176.291 177.300 -0.178 0.000 1.193 439 P CA 0.481 63.487 63.100 -0.157 0.000 0.765 439 P CB 0.375 32.006 31.700 -0.116 0.000 0.823 440 Q N 1.720 121.354 119.800 -0.276 0.000 2.301 440 Q HA 0.539 4.879 4.340 -0.001 0.000 0.267 440 Q C -1.094 174.572 176.000 -0.558 0.000 1.035 440 Q CA -0.620 55.048 55.803 -0.226 0.000 0.856 440 Q CB 1.609 30.361 28.738 0.023 0.000 1.337 440 Q HN 0.401 nan 8.270 nan 0.000 0.450 441 Y N 0.468 120.579 120.300 -0.315 0.000 2.391 441 Y HA 0.503 5.052 4.550 -0.001 0.000 0.341 441 Y C -1.116 174.517 175.900 -0.445 0.000 0.965 441 Y CA -0.743 57.218 58.100 -0.233 0.000 1.067 441 Y CB 1.306 39.706 38.460 -0.100 0.000 1.199 441 Y HN 0.490 nan 8.280 nan 0.000 0.450 442 Y N 0.393 120.773 120.300 0.132 0.000 2.545 442 Y HA 0.437 4.987 4.550 -0.001 0.000 0.348 442 Y C -0.504 175.415 175.900 0.031 0.000 1.002 442 Y CA -1.335 56.835 58.100 0.117 0.000 1.039 442 Y CB 2.216 40.708 38.460 0.052 0.000 1.271 442 Y HN 0.464 nan 8.280 nan 0.000 0.467 443 Q N 1.938 121.865 119.800 0.212 0.000 2.314 443 Q HA 0.788 5.128 4.340 -0.001 0.000 0.259 443 Q C -1.221 174.864 176.000 0.142 0.000 0.951 443 Q CA -0.670 55.149 55.803 0.028 0.000 0.909 443 Q CB 1.198 29.825 28.738 -0.184 0.000 1.236 443 Q HN 0.827 nan 8.270 nan 0.000 0.444 444 A N 4.282 127.202 122.820 0.168 0.000 2.306 444 A HA 0.483 4.802 4.320 -0.001 0.000 0.330 444 A C -0.461 177.317 177.584 0.324 0.000 1.146 444 A CA -0.872 51.345 52.037 0.300 0.000 0.827 444 A CB 0.650 19.895 19.000 0.407 0.000 1.178 444 A HN 0.900 nan 8.150 nan 0.000 0.490 445 N N 0.118 119.020 118.700 0.338 0.000 2.353 445 N HA 0.272 5.012 4.740 -0.001 0.000 0.248 445 N C 1.147 176.843 175.510 0.310 0.000 1.240 445 N CA 1.793 54.981 53.050 0.230 0.000 0.862 445 N CB 0.703 39.305 38.487 0.191 0.000 1.086 445 N HN 1.387 nan 8.380 nan 0.000 0.453 446 G N 0.001 108.817 108.800 0.026 0.000 2.176 446 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.232 446 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.232 446 G C 0.617 175.348 174.900 -0.282 0.000 0.986 446 G CA 0.291 45.364 45.100 -0.046 0.000 0.643 446 G HN 1.360 nan 8.290 nan 0.000 0.522 447 G N -1.107 107.588 108.800 -0.176 0.000 2.212 447 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.255 447 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.255 447 G C 0.010 174.643 174.900 -0.445 0.000 1.062 447 G CA 0.297 45.211 45.100 -0.309 0.000 0.815 447 G HN 1.268 nan 8.290 nan 0.000 0.497 448 F N -0.739 119.243 119.950 0.054 0.000 2.427 448 F HA 0.631 5.158 4.527 -0.001 0.000 0.346 448 F C 0.415 176.196 175.800 -0.032 0.000 1.120 448 F CA -1.290 56.731 58.000 0.034 0.000 1.033 448 F CB 1.753 40.804 39.000 0.085 0.000 1.126 448 F HN 0.096 nan 8.300 nan 0.000 0.462 449 L N 5.663 126.979 121.223 0.156 0.000 2.265 449 L HA 0.516 4.855 4.340 -0.001 0.000 0.288 449 L C -0.689 176.278 176.870 0.160 0.000 1.058 449 L CA -0.209 54.686 54.840 0.091 0.000 0.809 449 L CB 0.195 42.277 42.059 0.039 0.000 1.179 449 L HN 0.438 nan 8.230 nan 0.000 0.429 450 I N 5.707 126.304 120.570 0.045 0.000 2.330 450 I HA 0.471 4.641 4.170 -0.001 0.000 0.289 450 I C 0.136 176.261 176.117 0.013 0.000 1.001 450 I CA -0.673 60.597 61.300 -0.051 0.000 1.193 450 I CB 1.562 39.313 38.000 -0.415 0.000 1.345 450 I HN 0.761 nan 8.210 nan 0.000 0.461 451 A N 6.887 129.747 122.820 0.067 0.000 2.276 451 A HA 0.498 4.817 4.320 -0.001 0.000 0.300 451 A C -1.288 176.261 177.584 -0.058 0.000 1.235 451 A CA -0.117 51.810 52.037 -0.183 0.000 0.867 451 A CB 0.263 19.273 19.000 0.017 0.000 1.137 451 A HN 0.621 nan 8.150 nan 0.000 0.527 452 Y N 1.735 121.879 120.300 -0.259 0.000 2.391 452 Y HA 0.539 5.089 4.550 -0.001 0.000 0.341 452 Y C -0.358 175.491 175.900 -0.086 0.000 0.965 452 Y CA -0.833 57.226 58.100 -0.069 0.000 1.067 452 Y CB 2.179 40.728 38.460 0.148 0.000 1.199 452 Y HN 0.645 nan 8.280 nan 0.000 0.450 453 Q N 8.347 127.747 119.800 -0.666 0.000 2.413 453 Q HA 0.512 4.852 4.340 -0.001 0.000 0.258 453 Q C -2.917 172.626 176.000 -0.760 0.000 1.037 453 Q CA -2.625 52.844 55.803 -0.555 0.000 0.764 453 Q CB 1.460 29.985 28.738 -0.355 0.000 1.217 453 Q HN 0.341 nan 8.270 nan 0.000 0.490 454 P HA 0.110 nan 4.420 nan 0.000 0.268 454 P C -0.856 176.298 177.300 -0.244 0.000 1.208 454 P CA 0.218 63.094 63.100 -0.374 0.000 0.777 454 P CB 0.687 32.324 31.700 -0.105 0.000 0.875 455 L N 1.355 122.491 121.223 -0.145 0.000 2.301 455 L HA 0.768 5.108 4.340 -0.001 0.000 0.249 455 L C -0.969 175.947 176.870 0.076 0.000 1.069 455 L CA -1.122 53.684 54.840 -0.057 0.000 0.865 455 L CB 1.508 43.464 42.059 -0.171 0.000 1.467 455 L HN 0.158 nan 8.230 nan 0.000 0.419 456 L N 0.362 121.698 121.223 0.187 0.000 2.666 456 L HA 0.382 4.721 4.340 -0.001 0.000 0.259 456 L C -0.490 176.438 176.870 0.097 0.000 0.919 456 L CA -0.163 54.776 54.840 0.165 0.000 0.927 456 L CB 2.094 44.201 42.059 0.080 0.000 1.423 456 L HN 0.698 nan 8.230 nan 0.000 0.426 457 S N 2.672 118.313 115.700 -0.098 0.000 2.585 457 S HA 0.317 4.787 4.470 -0.001 0.000 0.273 457 S C 0.747 175.233 174.600 -0.191 0.000 1.339 457 S CA -0.304 57.593 58.200 -0.505 0.000 1.028 457 S CB 0.655 63.564 63.200 -0.485 0.000 0.906 457 S HN 0.700 nan 8.310 nan 0.000 0.528 458 N N 1.290 119.885 118.700 -0.175 0.000 2.223 458 N HA -0.048 4.691 4.740 -0.001 0.000 0.185 458 N C 0.767 176.245 175.510 -0.053 0.000 1.016 458 N CA 0.863 53.871 53.050 -0.069 0.000 0.863 458 N CB -1.317 37.141 38.487 -0.048 0.000 0.983 458 N HN 0.712 nan 8.380 nan 0.000 0.429 492 V N 1.607 121.530 119.914 0.013 0.000 3.177 492 V HA 0.888 5.007 4.120 -0.001 0.000 0.319 492 V C -0.315 175.800 176.094 0.035 0.000 1.125 492 V CA -0.432 61.879 62.300 0.019 0.000 1.029 492 V CB 1.463 33.300 31.823 0.022 0.000 1.119 492 V HN 1.149 nan 8.190 nan 0.000 0.452 493 E N 0.539 120.765 120.200 0.043 0.000 2.454 493 E HA 0.638 4.988 4.350 -0.001 0.000 0.279 493 E C -1.433 175.169 176.600 0.004 0.000 1.029 493 E CA -1.217 55.202 56.400 0.032 0.000 0.831 493 E CB 2.156 31.882 29.700 0.043 0.000 1.405 493 E HN 0.415 nan 8.360 nan 0.000 0.463 494 R N 0.940 121.408 120.500 -0.052 0.000 2.387 494 R HA 0.388 4.728 4.340 -0.001 0.000 0.314 494 R C -0.318 175.918 176.300 -0.106 0.000 0.958 494 R CA -0.942 55.089 56.100 -0.115 0.000 0.846 494 R CB 1.137 31.293 30.300 -0.240 0.000 1.147 494 R HN 0.463 nan 8.270 nan 0.000 0.447 495 I N 3.223 123.722 120.570 -0.117 0.000 2.588 495 I HA 0.086 4.256 4.170 -0.001 0.000 0.283 495 I C 0.362 176.386 176.117 -0.155 0.000 1.119 495 I CA 0.111 61.324 61.300 -0.146 0.000 1.419 495 I CB 0.334 38.226 38.000 -0.180 0.000 1.394 495 I HN 0.275 nan 8.210 nan 0.000 0.562 496 K N 5.063 125.367 120.400 -0.161 0.000 2.339 496 K HA 0.431 4.750 4.320 -0.001 0.000 0.264 496 K C -0.440 176.024 176.600 -0.227 0.000 0.986 496 K CA -0.475 55.711 56.287 -0.167 0.000 0.866 496 K CB 1.669 34.090 32.500 -0.131 0.000 1.103 496 K HN 0.523 nan 8.250 nan 0.000 0.441 497 T N 1.210 115.601 114.554 -0.271 0.000 2.829 497 T HA 0.155 4.505 4.350 -0.001 0.000 0.282 497 T C 0.356 174.865 174.700 -0.320 0.000 0.990 497 T CA -0.353 61.495 62.100 -0.421 0.000 1.028 497 T CB 1.528 70.076 68.868 -0.533 0.000 0.951 497 T HN 0.464 nan 8.240 nan 0.000 0.460 498 T N 1.160 115.521 114.554 -0.323 0.000 2.898 498 T HA 0.098 4.448 4.350 -0.001 0.000 0.301 498 T C 1.415 176.073 174.700 -0.071 0.000 1.049 498 T CA -0.317 61.698 62.100 -0.142 0.000 1.095 498 T CB 0.430 69.261 68.868 -0.063 0.000 0.976 498 T HN 0.488 nan 8.240 nan 0.000 0.539 499 S N 2.005 117.692 115.700 -0.023 0.000 2.496 499 S HA 0.129 4.599 4.470 -0.001 0.000 0.224 499 S C 0.827 175.472 174.600 0.075 0.000 0.996 499 S CA 0.102 58.302 58.200 0.001 0.000 0.927 499 S CB 0.040 63.238 63.200 -0.003 0.000 0.774 499 S HN 0.713 nan 8.310 nan 0.000 0.524 500 S N 0.867 116.648 115.700 0.135 0.000 2.433 500 S HA 0.412 4.882 4.470 -0.001 0.000 0.310 500 S C 0.254 175.069 174.600 0.359 0.000 1.097 500 S CA -0.613 57.706 58.200 0.199 0.000 1.103 500 S CB 0.762 64.062 63.200 0.167 0.000 0.992 500 S HN 0.205 nan 8.310 nan 0.000 0.469 501 I N 4.748 125.476 120.570 0.263 0.000 3.793 501 I HA 0.217 4.387 4.170 -0.001 0.000 0.315 501 I C 1.557 177.636 176.117 -0.064 0.000 1.275 501 I CA 0.539 61.938 61.300 0.165 0.000 1.214 501 I CB -0.223 37.864 38.000 0.145 0.000 1.018 501 I HN 0.633 nan 8.210 nan 0.000 0.439 502 E N 0.846 121.090 120.200 0.074 0.000 2.097 502 E HA -0.295 4.054 4.350 -0.001 0.000 0.196 502 E C 2.099 178.672 176.600 -0.045 0.000 1.000 502 E CA 1.949 58.357 56.400 0.014 0.000 0.804 502 E CB -0.989 28.756 29.700 0.074 0.000 0.740 502 E HN 0.707 nan 8.360 nan 0.000 0.454 503 F N 0.690 120.651 119.950 0.018 0.000 2.154 503 F HA -0.089 4.437 4.527 -0.001 0.000 0.301 503 F C 2.245 178.039 175.800 -0.010 0.000 1.087 503 F CA 1.256 59.262 58.000 0.010 0.000 1.274 503 F CB -0.728 38.292 39.000 0.032 0.000 1.009 503 F HN -0.016 nan 8.300 nan 0.000 0.485 504 A N 0.924 122.905 122.820 -1.398 0.000 2.014 504 A HA -0.009 4.311 4.320 -0.001 0.000 0.218 504 A C 2.329 179.621 177.584 -0.487 0.000 1.163 504 A CA 0.990 52.399 52.037 -1.047 0.000 0.652 504 A CB -0.596 17.554 19.000 -1.416 0.000 0.808 504 A HN 0.505 nan 8.150 nan 0.000 0.449 505 R N -0.687 119.600 120.500 -0.354 0.000 2.127 505 R HA 0.157 4.497 4.340 -0.001 0.000 0.217 505 R C 1.869 178.160 176.300 -0.015 0.000 1.074 505 R CA 0.801 56.801 56.100 -0.168 0.000 0.991 505 R CB -0.395 29.814 30.300 -0.151 0.000 0.895 505 R HN 0.439 nan 8.270 nan 0.000 0.450 506 L N 0.785 121.986 121.223 -0.037 0.000 2.046 506 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 506 L C 2.698 179.616 176.870 0.079 0.000 1.077 506 L CA 1.252 56.110 54.840 0.030 0.000 0.747 506 L CB -0.328 41.739 42.059 0.013 0.000 0.896 506 L HN 0.130 nan 8.230 nan 0.000 0.432 507 Q N 0.027 119.846 119.800 0.032 0.000 2.030 507 Q HA -0.282 4.058 4.340 -0.001 0.000 0.204 507 Q C 2.045 178.127 176.000 0.136 0.000 0.986 507 Q CA 2.170 58.015 55.803 0.071 0.000 0.843 507 Q CB -0.513 28.237 28.738 0.021 0.000 0.904 507 Q HN 0.435 nan 8.270 nan 0.000 0.420 508 F N 0.003 119.925 119.950 -0.046 0.000 2.102 508 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 508 F C 1.953 177.770 175.800 0.029 0.000 1.105 508 F CA 2.037 60.020 58.000 -0.029 0.000 1.239 508 F CB -0.583 38.347 39.000 -0.116 0.000 0.991 508 F HN 0.070 nan 8.300 nan 0.000 0.474 509 T N -0.378 114.312 114.554 0.227 0.000 2.708 509 T HA -0.270 4.079 4.350 -0.001 0.000 0.266 509 T C 1.574 176.309 174.700 0.057 0.000 1.037 509 T CA 1.826 64.005 62.100 0.130 0.000 1.146 509 T CB -0.893 68.070 68.868 0.158 0.000 0.865 509 T HN 0.510 nan 8.240 nan 0.000 0.435 510 Y N 2.651 122.943 120.300 -0.013 0.000 2.128 510 Y HA -0.209 4.341 4.550 -0.001 0.000 0.284 510 Y C 2.264 178.137 175.900 -0.046 0.000 1.154 510 Y CA 1.419 59.507 58.100 -0.020 0.000 1.149 510 Y CB -0.401 38.055 38.460 -0.007 0.000 0.976 510 Y HN 0.109 nan 8.280 nan 0.000 0.505 511 N N -0.694 118.061 118.700 0.092 0.000 2.120 511 N HA -0.208 4.531 4.740 -0.001 0.000 0.188 511 N C 1.747 177.168 175.510 -0.149 0.000 1.024 511 N CA 1.750 54.793 53.050 -0.012 0.000 0.852 511 N CB -0.831 37.663 38.487 0.012 0.000 1.003 511 N HN 0.510 nan 8.380 nan 0.000 0.424 512 H N 0.635 119.501 119.070 -0.340 0.000 2.319 512 H HA 0.084 4.640 4.556 -0.001 0.000 0.299 512 H C 2.015 177.213 175.328 -0.216 0.000 1.092 512 H CA 1.571 57.408 56.048 -0.351 0.000 1.302 512 H CB -0.260 29.191 29.762 -0.519 0.000 1.373 512 H HN 0.152 nan 8.280 nan 0.000 0.497 513 I N 0.017 120.472 120.570 -0.192 0.000 2.252 513 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 513 I C 2.679 178.654 176.117 -0.238 0.000 1.102 513 I CA 1.404 62.582 61.300 -0.203 0.000 1.385 513 I CB -0.400 37.498 38.000 -0.170 0.000 1.064 513 I HN 0.430 nan 8.210 nan 0.000 0.414 514 Q N 1.468 121.047 119.800 -0.370 0.000 2.061 514 Q HA -0.280 4.060 4.340 -0.001 0.000 0.204 514 Q C 2.439 178.312 176.000 -0.211 0.000 0.984 514 Q CA 1.732 57.321 55.803 -0.357 0.000 0.846 514 Q CB -0.133 28.333 28.738 -0.453 0.000 0.902 514 Q HN 0.372 nan 8.270 nan 0.000 0.421 515 R N -0.839 119.546 120.500 -0.191 0.000 2.083 515 R HA -0.239 4.101 4.340 -0.001 0.000 0.237 515 R C 2.317 178.523 176.300 -0.156 0.000 1.137 515 R CA 2.056 58.065 56.100 -0.152 0.000 0.951 515 R CB -0.427 29.785 30.300 -0.146 0.000 0.851 515 R HN 0.463 nan 8.270 nan 0.000 0.434 516 H N 0.198 119.113 119.070 -0.258 0.000 2.293 516 H HA -0.114 4.441 4.556 -0.001 0.000 0.300 516 H C 2.000 177.233 175.328 -0.158 0.000 1.082 516 H CA 2.594 58.509 56.048 -0.221 0.000 1.308 516 H CB -0.239 29.363 29.762 -0.267 0.000 1.375 516 H HN 0.132 nan 8.280 nan 0.000 0.495 517 V N -0.638 119.185 119.914 -0.151 0.000 2.407 517 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 517 V C 1.913 177.892 176.094 -0.192 0.000 1.055 517 V CA 2.043 64.242 62.300 -0.169 0.000 1.049 517 V CB -0.539 31.235 31.823 -0.082 0.000 0.662 517 V HN 0.401 nan 8.190 nan 0.000 0.455 518 N N 0.806 119.405 118.700 -0.169 0.000 2.188 518 N HA -0.165 4.574 4.740 -0.001 0.000 0.184 518 N C 1.718 177.138 175.510 -0.150 0.000 1.018 518 N CA 1.818 54.785 53.050 -0.138 0.000 0.858 518 N CB -0.601 37.816 38.487 -0.116 0.000 0.989 518 N HN 0.690 nan 8.380 nan 0.000 0.426 519 D N 0.815 121.102 120.400 -0.190 0.000 2.088 519 D HA -0.120 4.519 4.640 -0.001 0.000 0.191 519 D C 1.848 178.034 176.300 -0.190 0.000 0.992 519 D CA 1.071 54.964 54.000 -0.180 0.000 0.831 519 D CB 0.039 40.717 40.800 -0.203 0.000 0.973 519 D HN -0.026 nan 8.370 nan 0.000 0.447 520 M N 0.196 119.621 119.600 -0.291 0.000 2.080 520 M HA -0.098 4.382 4.480 -0.001 0.000 0.260 520 M C 2.624 178.842 176.300 -0.138 0.000 1.068 520 M CA 0.916 56.079 55.300 -0.228 0.000 1.109 520 M CB -1.299 31.113 32.600 -0.314 0.000 1.342 520 M HN 0.134 nan 8.290 nan 0.000 0.405 521 L N -0.735 120.406 121.223 -0.137 0.000 2.141 521 L HA -0.108 4.232 4.340 -0.001 0.000 0.209 521 L C 2.610 179.436 176.870 -0.073 0.000 1.094 521 L CA 1.132 55.916 54.840 -0.094 0.000 0.763 521 L CB -1.302 40.701 42.059 -0.094 0.000 0.908 521 L HN 0.399 nan 8.230 nan 0.000 0.437 522 G N -0.021 108.730 108.800 -0.080 0.000 2.418 522 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 522 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 522 G C 1.746 176.624 174.900 -0.037 0.000 1.158 522 G CA 0.372 45.438 45.100 -0.057 0.000 0.771 522 G HN 0.290 nan 8.290 nan 0.000 0.545 523 R N -0.262 120.209 120.500 -0.048 0.000 2.092 523 R HA 0.008 4.347 4.340 -0.001 0.000 0.231 523 R C 2.624 178.925 176.300 0.002 0.000 1.119 523 R CA 0.944 57.029 56.100 -0.026 0.000 0.970 523 R CB -0.433 29.843 30.300 -0.039 0.000 0.864 523 R HN 0.303 nan 8.270 nan 0.000 0.440 524 V N 1.057 120.969 119.914 -0.003 0.000 2.343 524 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 524 V C 2.461 178.605 176.094 0.083 0.000 1.051 524 V CA 1.981 64.303 62.300 0.036 0.000 1.036 524 V CB -0.692 31.130 31.823 -0.003 0.000 0.654 524 V HN 0.396 nan 8.190 nan 0.000 0.451 525 A N -0.217 122.625 122.820 0.037 0.000 1.940 525 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 525 A C 2.183 179.838 177.584 0.117 0.000 1.176 525 A CA 1.976 54.052 52.037 0.065 0.000 0.631 525 A CB -0.524 18.481 19.000 0.008 0.000 0.814 525 A HN 0.518 nan 8.150 nan 0.000 0.446 526 I N -0.505 120.106 120.570 0.068 0.000 2.202 526 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 526 I C 2.967 179.122 176.117 0.064 0.000 1.091 526 I CA 0.976 62.309 61.300 0.054 0.000 1.368 526 I CB -0.306 37.706 38.000 0.020 0.000 1.058 526 I HN 0.341 nan 8.210 nan 0.000 0.410 527 A N 0.549 123.410 122.820 0.069 0.000 1.933 527 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 527 A C 2.271 179.904 177.584 0.083 0.000 1.175 527 A CA 1.307 53.375 52.037 0.053 0.000 0.628 527 A CB -1.088 17.945 19.000 0.056 0.000 0.814 527 A HN 0.721 nan 8.150 nan 0.000 0.444 528 W N -0.032 121.256 121.300 -0.019 0.000 2.355 528 W HA -0.225 4.434 4.660 -0.001 0.000 0.309 528 W C 2.480 178.995 176.519 -0.007 0.000 1.206 528 W CA 1.691 59.029 57.345 -0.011 0.000 1.284 528 W CB -0.626 28.824 29.460 -0.016 0.000 1.145 528 W HN 0.451 nan 8.180 nan 0.000 0.502 529 c N 1.588 120.281 118.600 0.156 0.000 2.429 529 c HA -0.177 4.393 4.570 -0.001 0.000 0.277 529 c C 2.466 176.538 174.090 -0.030 0.000 1.262 529 c CA 1.937 58.303 56.329 0.062 0.000 1.733 529 c CB -1.105 41.457 42.510 0.086 0.000 2.010 529 c HN 0.397 nan 8.230 nan 0.000 0.483 530 E N 0.063 120.246 120.200 -0.028 0.000 2.058 530 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 530 E C 1.985 178.536 176.600 -0.080 0.000 0.997 530 E CA 1.540 57.909 56.400 -0.051 0.000 0.801 530 E CB -0.382 29.280 29.700 -0.064 0.000 0.746 530 E HN 0.623 nan 8.360 nan 0.000 0.450 531 L N 1.280 122.417 121.223 -0.144 0.000 2.046 531 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 531 L C 2.081 178.849 176.870 -0.169 0.000 1.077 531 L CA 1.741 56.483 54.840 -0.164 0.000 0.747 531 L CB -0.335 41.555 42.059 -0.281 0.000 0.896 531 L HN 0.036 nan 8.230 nan 0.000 0.432 532 Q N -0.147 119.477 119.800 -0.294 0.000 2.084 532 Q HA -0.169 4.171 4.340 -0.001 0.000 0.202 532 Q C 2.125 178.076 176.000 -0.081 0.000 0.978 532 Q CA 1.616 57.280 55.803 -0.231 0.000 0.844 532 Q CB -0.808 27.788 28.738 -0.237 0.000 0.898 532 Q HN 0.601 nan 8.270 nan 0.000 0.426 533 N N 0.233 118.911 118.700 -0.037 0.000 2.120 533 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 533 N C 1.731 177.286 175.510 0.075 0.000 1.024 533 N CA 1.188 54.248 53.050 0.016 0.000 0.852 533 N CB -0.520 37.981 38.487 0.024 0.000 1.003 533 N HN 0.378 nan 8.380 nan 0.000 0.424 534 H N 1.495 120.542 119.070 -0.038 0.000 2.319 534 H HA -0.015 4.541 4.556 -0.001 0.000 0.299 534 H C 1.436 176.768 175.328 0.007 0.000 1.092 534 H CA 1.745 57.781 56.048 -0.020 0.000 1.302 534 H CB 0.025 29.763 29.762 -0.041 0.000 1.373 534 H HN 0.345 nan 8.280 nan 0.000 0.497 535 E N -0.297 119.937 120.200 0.057 0.000 2.347 535 E HA -0.107 4.243 4.350 -0.001 0.000 0.196 535 E C 2.135 178.847 176.600 0.186 0.000 1.008 535 E CA 0.532 56.970 56.400 0.062 0.000 0.852 535 E CB -0.075 29.704 29.700 0.132 0.000 0.783 535 E HN 0.335 nan 8.360 nan 0.000 0.505 536 L N 1.396 122.699 121.223 0.133 0.000 2.081 536 L HA -0.210 4.130 4.340 -0.001 0.000 0.212 536 L C 2.070 179.051 176.870 0.185 0.000 1.080 536 L CA 1.939 56.873 54.840 0.157 0.000 0.754 536 L CB -0.882 41.222 42.059 0.075 0.000 0.893 536 L HN -0.016 nan 8.230 nan 0.000 0.433 537 T N -0.053 114.546 114.554 0.076 0.000 2.759 537 T HA -0.177 4.173 4.350 -0.001 0.000 0.269 537 T C 1.922 176.634 174.700 0.020 0.000 1.042 537 T CA 1.911 64.030 62.100 0.032 0.000 1.140 537 T CB -0.330 68.504 68.868 -0.057 0.000 0.864 537 T HN 0.374 nan 8.240 nan 0.000 0.455 538 L N -1.253 119.956 121.223 -0.024 0.000 2.056 538 L HA -0.014 4.325 4.340 -0.001 0.000 0.207 538 L C 2.431 179.233 176.870 -0.114 0.000 1.078 538 L CA 1.222 55.992 54.840 -0.116 0.000 0.749 538 L CB -0.592 41.337 42.059 -0.216 0.000 0.901 538 L HN 0.323 nan 8.230 nan 0.000 0.433 539 W N 0.645 121.941 121.300 -0.007 0.000 2.374 539 W HA -0.152 4.508 4.660 -0.001 0.000 0.288 539 W C 2.527 179.168 176.519 0.205 0.000 1.218 539 W CA 0.748 58.118 57.345 0.043 0.000 1.245 539 W CB -0.481 28.913 29.460 -0.111 0.000 1.126 539 W HN 0.169 nan 8.180 nan 0.000 0.545 540 N N 0.185 119.103 118.700 0.365 0.000 2.166 540 N HA -0.151 4.589 4.740 -0.001 0.000 0.186 540 N C 1.502 177.096 175.510 0.140 0.000 1.019 540 N CA 1.394 54.608 53.050 0.273 0.000 0.856 540 N CB -0.402 38.193 38.487 0.179 0.000 0.993 540 N HN 0.153 nan 8.380 nan 0.000 0.426 541 E N 0.779 121.023 120.200 0.074 0.000 2.076 541 E HA 0.099 4.449 4.350 -0.001 0.000 0.190 541 E C 1.957 178.565 176.600 0.014 0.000 0.979 541 E CA 0.549 56.962 56.400 0.022 0.000 0.807 541 E CB -0.505 29.185 29.700 -0.017 0.000 0.761 541 E HN 0.257 nan 8.360 nan 0.000 0.454 542 A N 2.363 125.175 122.820 -0.014 0.000 1.883 542 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 542 A C 2.209 179.822 177.584 0.048 0.000 1.186 542 A CA 2.403 54.413 52.037 -0.044 0.000 0.624 542 A CB -0.700 18.179 19.000 -0.201 0.000 0.822 542 A HN 0.336 nan 8.150 nan 0.000 0.444 543 R N -0.179 120.414 120.500 0.155 0.000 2.127 543 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 543 R C 1.888 178.234 176.300 0.077 0.000 1.134 543 R CA 1.818 58.023 56.100 0.175 0.000 0.975 543 R CB -0.454 29.988 30.300 0.236 0.000 0.865 543 R HN 0.460 nan 8.270 nan 0.000 0.447 544 K N 0.783 121.213 120.400 0.049 0.000 2.057 544 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 544 K C 2.177 178.789 176.600 0.020 0.000 1.050 544 K CA 1.470 57.770 56.287 0.022 0.000 0.935 544 K CB -0.128 32.379 32.500 0.012 0.000 0.715 544 K HN 0.206 nan 8.250 nan 0.000 0.439 545 L N 0.334 121.568 121.223 0.018 0.000 2.044 545 L HA -0.105 4.235 4.340 -0.001 0.000 0.205 545 L C 1.063 177.946 176.870 0.022 0.000 1.075 545 L CA 0.703 55.551 54.840 0.012 0.000 0.747 545 L CB -0.100 41.957 42.059 -0.004 0.000 0.903 545 L HN 0.166 nan 8.230 nan 0.000 0.435 546 N N -0.770 117.950 118.700 0.032 0.000 2.750 546 N HA 0.139 4.879 4.740 -0.001 0.000 0.253 546 N C -1.994 173.554 175.510 0.063 0.000 1.408 546 N CA -1.676 51.399 53.050 0.041 0.000 0.780 546 N CB 0.988 39.496 38.487 0.035 0.000 1.191 546 N HN -0.142 nan 8.380 nan 0.000 0.511 547 P HA -0.130 nan 4.420 nan 0.000 0.215 547 P C 0.818 178.161 177.300 0.072 0.000 1.157 547 P CA 1.217 64.358 63.100 0.068 0.000 0.874 547 P CB 0.579 32.303 31.700 0.040 0.000 0.790 548 N N 0.307 119.038 118.700 0.052 0.000 2.069 548 N HA -0.145 4.595 4.740 -0.001 0.000 0.191 548 N C 1.992 177.530 175.510 0.047 0.000 1.031 548 N CA 1.934 55.008 53.050 0.039 0.000 0.852 548 N CB -1.206 37.298 38.487 0.027 0.000 1.018 548 N HN 0.141 nan 8.380 nan 0.000 0.423 549 A N 0.363 123.218 122.820 0.059 0.000 1.873 549 A HA -0.028 4.291 4.320 -0.001 0.000 0.215 549 A C 2.172 179.833 177.584 0.128 0.000 1.186 549 A CA 0.994 53.073 52.037 0.070 0.000 0.616 549 A CB -0.616 18.421 19.000 0.061 0.000 0.823 549 A HN 0.134 nan 8.150 nan 0.000 0.442 550 I N 0.269 120.944 120.570 0.175 0.000 2.226 550 I HA -0.212 3.958 4.170 -0.001 0.000 0.245 550 I C 2.838 179.124 176.117 0.282 0.000 1.100 550 I CA 1.329 62.821 61.300 0.319 0.000 1.374 550 I CB -0.533 37.694 38.000 0.379 0.000 1.057 550 I HN 0.315 nan 8.210 nan 0.000 0.413 551 A N -0.840 122.101 122.820 0.202 0.000 1.898 551 A HA -0.163 4.157 4.320 -0.001 0.000 0.216 551 A C 2.500 180.136 177.584 0.088 0.000 1.181 551 A CA 1.950 54.082 52.037 0.159 0.000 0.620 551 A CB -0.918 18.146 19.000 0.107 0.000 0.819 551 A HN 0.371 nan 8.150 nan 0.000 0.442 552 S N -0.353 115.380 115.700 0.056 0.000 2.370 552 S HA -0.147 4.322 4.470 -0.001 0.000 0.226 552 S C 1.897 176.505 174.600 0.014 0.000 1.033 552 S CA 1.550 59.754 58.200 0.006 0.000 1.011 552 S CB -0.436 62.744 63.200 -0.033 0.000 0.852 552 S HN 0.362 nan 8.310 nan 0.000 0.457 553 V N 1.956 121.904 119.914 0.057 0.000 2.358 553 V HA -0.160 3.960 4.120 -0.001 0.000 0.246 553 V C 2.827 178.898 176.094 -0.040 0.000 1.047 553 V CA 2.040 64.368 62.300 0.045 0.000 1.035 553 V CB -1.465 30.452 31.823 0.158 0.000 0.658 553 V HN 0.761 nan 8.190 nan 0.000 0.452 554 T N -2.379 112.143 114.554 -0.053 0.000 2.896 554 T HA -0.062 4.288 4.350 -0.001 0.000 0.263 554 T C 1.770 176.434 174.700 -0.060 0.000 1.050 554 T CA 1.335 63.351 62.100 -0.140 0.000 1.140 554 T CB -0.222 68.549 68.868 -0.163 0.000 0.877 554 T HN 0.228 nan 8.240 nan 0.000 0.457 555 V N 1.325 121.236 119.914 -0.006 0.000 2.719 555 V HA 0.274 4.394 4.120 -0.001 0.000 0.252 555 V C 2.328 178.411 176.094 -0.019 0.000 1.065 555 V CA 1.242 63.541 62.300 -0.002 0.000 1.086 555 V CB -1.030 30.800 31.823 0.012 0.000 0.700 555 V HN 0.886 nan 8.190 nan 0.000 0.467 556 G N 1.288 110.072 108.800 -0.026 0.000 2.141 556 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.231 556 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.231 556 G C 0.226 175.111 174.900 -0.026 0.000 0.984 556 G CA 0.250 45.334 45.100 -0.027 0.000 0.660 556 G HN 0.835 nan 8.290 nan 0.000 0.525 557 R N -1.940 118.538 120.500 -0.036 0.000 2.690 557 R HA 0.677 5.016 4.340 -0.001 0.000 0.269 557 R C -0.573 175.664 176.300 -0.106 0.000 1.037 557 R CA -1.270 54.796 56.100 -0.057 0.000 0.877 557 R CB 0.709 30.991 30.300 -0.030 0.000 1.255 557 R HN -0.021 nan 8.270 nan 0.000 0.467 558 R N 1.475 121.846 120.500 -0.215 0.000 2.446 558 R HA 0.176 4.516 4.340 -0.001 0.000 0.314 558 R C 0.115 176.294 176.300 -0.202 0.000 1.003 558 R CA 0.074 55.966 56.100 -0.347 0.000 1.018 558 R CB 0.350 30.089 30.300 -0.936 0.000 0.945 558 R HN 0.547 nan 8.270 nan 0.000 0.419 559 V N -1.219 118.622 119.914 -0.121 0.000 3.160 559 V HA 0.644 4.763 4.120 -0.001 0.000 0.310 559 V C -0.163 175.915 176.094 -0.026 0.000 1.181 559 V CA -1.000 61.270 62.300 -0.050 0.000 1.047 559 V CB 2.393 34.206 31.823 -0.017 0.000 1.068 559 V HN 0.569 nan 8.190 nan 0.000 0.441 560 S N 0.662 116.363 115.700 0.002 0.000 2.525 560 S HA 0.917 5.387 4.470 -0.001 0.000 0.290 560 S C -0.261 174.351 174.600 0.019 0.000 1.152 560 S CA 0.288 58.498 58.200 0.016 0.000 1.072 560 S CB 0.949 64.167 63.200 0.030 0.000 1.027 560 S HN 2.084 nan 8.310 nan 0.000 0.500 561 A N 3.778 126.612 122.820 0.023 0.000 2.594 561 A HA 0.911 5.230 4.320 -0.001 0.000 0.295 561 A C -1.068 176.527 177.584 0.019 0.000 1.071 561 A CA -1.031 51.019 52.037 0.021 0.000 0.685 561 A CB 1.449 20.466 19.000 0.030 0.000 1.285 561 A HN 0.977 nan 8.150 nan 0.000 0.405 562 R N 1.069 121.574 120.500 0.009 0.000 2.629 562 R HA 0.600 4.940 4.340 -0.001 0.000 0.266 562 R C -1.376 174.918 176.300 -0.010 0.000 1.051 562 R CA -0.961 55.142 56.100 0.005 0.000 0.895 562 R CB 0.878 31.183 30.300 0.009 0.000 1.246 562 R HN 0.534 nan 8.270 nan 0.000 0.459 563 M N 3.037 122.628 119.600 -0.015 0.000 2.200 563 M HA 0.244 4.723 4.480 -0.001 0.000 0.355 563 M C -0.083 176.203 176.300 -0.024 0.000 1.283 563 M CA -0.147 55.135 55.300 -0.030 0.000 1.124 563 M CB 0.474 33.055 32.600 -0.031 0.000 1.625 563 M HN 0.608 nan 8.290 nan 0.000 0.463 564 L N 3.222 124.427 121.223 -0.031 0.000 2.825 564 L HA 0.392 4.731 4.340 -0.001 0.000 0.236 564 L C 0.942 177.796 176.870 -0.027 0.000 1.301 564 L CA -0.284 54.542 54.840 -0.023 0.000 0.977 564 L CB -0.027 42.020 42.059 -0.021 0.000 1.300 564 L HN 1.106 nan 8.230 nan 0.000 0.486 565 G N 0.789 109.573 108.800 -0.026 0.000 2.742 565 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.255 565 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.255 565 G C 0.235 175.112 174.900 -0.039 0.000 1.322 565 G CA 0.170 45.254 45.100 -0.027 0.000 0.967 565 G HN 0.394 nan 8.290 nan 0.000 0.556 566 D N 1.226 121.599 120.400 -0.044 0.000 2.363 566 D HA 0.363 5.002 4.640 -0.001 0.000 0.214 566 D C 1.144 177.388 176.300 -0.094 0.000 1.093 566 D CA 1.040 55.003 54.000 -0.061 0.000 0.837 566 D CB 0.897 41.671 40.800 -0.044 0.000 0.948 566 D HN 0.916 nan 8.370 nan 0.000 0.507 567 V N -2.754 117.108 119.914 -0.088 0.000 3.158 567 V HA 0.616 4.735 4.120 -0.001 0.000 0.315 567 V C -0.436 175.592 176.094 -0.110 0.000 1.148 567 V CA -1.137 61.096 62.300 -0.111 0.000 1.042 567 V CB 2.733 34.513 31.823 -0.071 0.000 1.101 567 V HN -0.148 nan 8.190 nan 0.000 0.448 568 M N 2.219 121.748 119.600 -0.119 0.000 2.227 568 M HA 0.789 5.268 4.480 -0.001 0.000 0.335 568 M C -0.221 176.053 176.300 -0.043 0.000 1.053 568 M CA -0.600 54.648 55.300 -0.087 0.000 0.973 568 M CB 1.549 34.081 32.600 -0.115 0.000 1.623 568 M HN 1.142 nan 8.290 nan 0.000 0.434 569 A N 4.289 127.094 122.820 -0.025 0.000 2.309 569 A HA 0.711 5.030 4.320 -0.001 0.000 0.298 569 A C -0.763 176.821 177.584 0.000 0.000 1.165 569 A CA -0.567 51.464 52.037 -0.010 0.000 0.821 569 A CB 0.508 19.505 19.000 -0.005 0.000 1.102 569 A HN 0.852 nan 8.150 nan 0.000 0.500 570 V N 0.315 120.232 119.914 0.006 0.000 3.078 570 V HA 0.981 5.101 4.120 -0.001 0.000 0.311 570 V C -0.362 175.740 176.094 0.014 0.000 1.138 570 V CA -0.034 62.273 62.300 0.012 0.000 1.007 570 V CB 1.627 33.460 31.823 0.016 0.000 1.045 570 V HN 1.677 nan 8.190 nan 0.000 0.432 571 S N 0.757 116.468 115.700 0.017 0.000 2.537 571 S HA 0.661 5.131 4.470 -0.001 0.000 0.270 571 S C -0.454 174.160 174.600 0.023 0.000 1.142 571 S CA -0.500 57.713 58.200 0.022 0.000 0.870 571 S CB 1.611 64.827 63.200 0.027 0.000 1.112 571 S HN 1.151 nan 8.310 nan 0.000 0.466 572 T N 2.225 116.797 114.554 0.029 0.000 2.907 572 T HA 0.398 4.748 4.350 -0.001 0.000 0.298 572 T C 0.213 174.948 174.700 0.059 0.000 1.017 572 T CA -0.282 61.838 62.100 0.033 0.000 1.118 572 T CB -0.091 68.801 68.868 0.040 0.000 0.948 572 T HN 0.818 nan 8.240 nan 0.000 0.531 573 c N 2.469 121.108 118.600 0.064 0.000 2.405 573 c HA 0.589 5.159 4.570 -0.001 0.000 0.365 573 c C 0.802 175.035 174.090 0.238 0.000 1.233 573 c CA -0.952 55.460 56.329 0.138 0.000 2.230 573 c CB 0.565 43.144 42.510 0.115 0.000 2.443 573 c HN 0.743 nan 8.230 nan 0.000 0.556 574 V N 4.772 124.835 119.914 0.247 0.000 2.407 574 V HA 0.415 4.535 4.120 -0.001 0.000 0.278 574 V C -2.246 173.960 176.094 0.187 0.000 1.037 574 V CA -1.669 60.766 62.300 0.226 0.000 0.900 574 V CB 1.573 33.531 31.823 0.224 0.000 0.983 574 V HN 0.813 nan 8.190 nan 0.000 0.459 575 P HA 0.295 nan 4.420 nan 0.000 0.272 575 P C -1.317 175.910 177.300 -0.123 0.000 1.230 575 P CA -0.010 62.954 63.100 -0.227 0.000 0.788 575 P CB 0.764 32.357 31.700 -0.179 0.000 0.949 576 V N 1.033 120.829 119.914 -0.196 0.000 2.711 576 V HA 0.510 4.630 4.120 -0.001 0.000 0.304 576 V C -0.126 175.926 176.094 -0.071 0.000 1.097 576 V CA -1.028 61.203 62.300 -0.115 0.000 0.906 576 V CB 1.808 33.496 31.823 -0.225 0.000 1.015 576 V HN 0.700 nan 8.190 nan 0.000 0.427 577 A N 3.301 126.098 122.820 -0.039 0.000 2.511 577 A HA 0.567 4.886 4.320 -0.001 0.000 0.242 577 A C 1.550 179.125 177.584 -0.014 0.000 1.069 577 A CA 0.576 52.605 52.037 -0.013 0.000 0.763 577 A CB 0.536 19.533 19.000 -0.005 0.000 1.001 577 A HN 1.642 nan 8.150 nan 0.000 0.498 578 A N 1.577 124.429 122.820 0.054 0.000 2.019 578 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 578 A C 1.363 178.919 177.584 -0.046 0.000 1.164 578 A CA 1.855 53.926 52.037 0.056 0.000 0.644 578 A CB -0.333 18.756 19.000 0.149 0.000 0.805 578 A HN 0.791 nan 8.150 nan 0.000 0.449 579 D N -0.000 120.391 120.400 -0.014 0.000 2.347 579 D HA -0.044 4.595 4.640 -0.001 0.000 0.215 579 D C 0.622 176.909 176.300 -0.021 0.000 0.976 579 D CA 0.445 54.443 54.000 -0.005 0.000 0.884 579 D CB -0.227 40.578 40.800 0.009 0.000 0.915 579 D HN 0.372 nan 8.370 nan 0.000 0.526 580 N N 0.420 119.093 118.700 -0.045 0.000 2.268 580 N HA 0.035 4.774 4.740 -0.001 0.000 0.204 580 N C -0.427 175.057 175.510 -0.042 0.000 1.124 580 N CA 0.105 53.138 53.050 -0.028 0.000 0.838 580 N CB 1.684 40.169 38.487 -0.003 0.000 0.994 580 N HN -0.015 nan 8.380 nan 0.000 0.489 581 V N 1.923 121.763 119.914 -0.124 0.000 2.487 581 V HA 0.482 4.602 4.120 -0.001 0.000 0.298 581 V C -0.029 176.057 176.094 -0.014 0.000 1.028 581 V CA -0.675 61.527 62.300 -0.163 0.000 0.860 581 V CB 2.120 33.559 31.823 -0.640 0.000 0.991 581 V HN -0.048 nan 8.190 nan 0.000 0.427 582 I N 4.692 125.278 120.570 0.026 0.000 2.406 582 I HA 0.464 4.634 4.170 -0.001 0.000 0.290 582 I C -0.495 175.634 176.117 0.019 0.000 0.999 582 I CA -0.936 60.382 61.300 0.030 0.000 1.124 582 I CB 2.183 40.177 38.000 -0.011 0.000 1.289 582 I HN 0.257 nan 8.210 nan 0.000 0.441 583 V N 6.207 126.109 119.914 -0.019 0.000 2.364 583 V HA 0.186 4.306 4.120 -0.001 0.000 0.272 583 V C 0.332 176.409 176.094 -0.029 0.000 1.036 583 V CA -0.774 61.503 62.300 -0.039 0.000 0.880 583 V CB 1.035 32.790 31.823 -0.113 0.000 0.991 583 V HN 0.640 nan 8.190 nan 0.000 0.460 584 Q N 3.398 123.206 119.800 0.014 0.000 2.474 584 Q HA 0.145 4.485 4.340 -0.001 0.000 0.256 584 Q C 0.822 176.890 176.000 0.115 0.000 1.048 584 Q CA -0.053 55.759 55.803 0.016 0.000 0.922 584 Q CB 0.520 29.260 28.738 0.002 0.000 1.288 584 Q HN 0.614 nan 8.270 nan 0.000 0.484 585 N N -0.037 118.695 118.700 0.054 0.000 2.300 585 N HA -0.070 4.669 4.740 -0.001 0.000 0.179 585 N C 0.436 176.097 175.510 0.252 0.000 1.016 585 N CA 0.486 53.596 53.050 0.099 0.000 0.876 585 N CB 0.236 38.727 38.487 0.006 0.000 0.979 585 N HN 0.338 nan 8.380 nan 0.000 0.432 586 S N -0.143 115.682 115.700 0.209 0.000 2.525 586 S HA 0.453 4.922 4.470 -0.001 0.000 0.290 586 S C 0.587 175.335 174.600 0.248 0.000 1.152 586 S CA -0.511 57.831 58.200 0.237 0.000 1.072 586 S CB 1.032 64.320 63.200 0.147 0.000 1.027 586 S HN 0.018 nan 8.310 nan 0.000 0.500 587 M N 3.247 123.033 119.600 0.311 0.000 2.405 587 M HA 0.285 4.765 4.480 -0.001 0.000 0.292 587 M C 0.401 176.898 176.300 0.329 0.000 1.111 587 M CA -0.246 55.240 55.300 0.310 0.000 0.979 587 M CB 0.391 33.169 32.600 0.296 0.000 1.426 587 M HN 0.352 nan 8.290 nan 0.000 0.509 588 R N 1.221 121.845 120.500 0.206 0.000 2.500 588 R HA 0.530 4.870 4.340 -0.001 0.000 0.275 588 R C -0.571 175.777 176.300 0.080 0.000 1.051 588 R CA -0.204 55.917 56.100 0.035 0.000 1.088 588 R CB 1.117 31.426 30.300 0.015 0.000 1.063 588 R HN 0.231 nan 8.270 nan 0.000 0.511 589 I N 1.958 122.492 120.570 -0.059 0.000 2.371 589 I HA 0.096 4.265 4.170 -0.001 0.000 0.282 589 I C 1.234 177.323 176.117 -0.046 0.000 1.031 589 I CA -0.178 61.091 61.300 -0.053 0.000 1.180 589 I CB 1.628 39.486 38.000 -0.237 0.000 1.336 589 I HN 0.502 nan 8.210 nan 0.000 0.467 590 S N 2.984 118.684 115.700 0.001 0.000 2.359 590 S HA -0.167 4.302 4.470 -0.001 0.000 0.223 590 S C 1.540 176.127 174.600 -0.023 0.000 1.039 590 S CA 1.953 60.147 58.200 -0.009 0.000 1.042 590 S CB -0.153 63.052 63.200 0.009 0.000 0.915 590 S HN 0.815 nan 8.310 nan 0.000 0.439 591 S N 1.282 116.973 115.700 -0.015 0.000 3.544 591 S HA 0.364 4.833 4.470 -0.001 0.000 0.227 591 S C 0.247 174.821 174.600 -0.043 0.000 1.387 591 S CA -0.299 57.888 58.200 -0.021 0.000 1.182 591 S CB -0.507 62.689 63.200 -0.007 0.000 1.243 591 S HN 0.443 nan 8.310 nan 0.000 0.467 592 R N -0.078 120.387 120.500 -0.059 0.000 2.176 592 R HA 0.088 4.428 4.340 -0.001 0.000 0.164 592 R C -3.332 172.910 176.300 -0.096 0.000 1.146 592 R CA -0.523 55.530 56.100 -0.078 0.000 0.702 592 R CB -0.474 29.766 30.300 -0.100 0.000 1.362 592 R HN 0.260 nan 8.270 nan 0.000 0.348 593 P HA 0.043 nan 4.420 nan 0.000 0.264 593 P C 0.840 178.080 177.300 -0.100 0.000 1.179 593 P CA 2.219 65.268 63.100 -0.085 0.000 0.763 593 P CB 0.763 32.427 31.700 -0.060 0.000 0.806 594 G N 1.290 110.016 108.800 -0.124 0.000 2.284 594 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.247 594 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.247 594 G C 0.326 175.126 174.900 -0.168 0.000 1.012 594 G CA 0.053 45.075 45.100 -0.129 0.000 0.618 594 G HN 0.880 nan 8.290 nan 0.000 0.521 595 A N -0.340 122.368 122.820 -0.186 0.000 2.276 595 A HA 0.708 5.027 4.320 -0.001 0.000 0.316 595 A C 0.149 177.543 177.584 -0.317 0.000 1.229 595 A CA 0.362 52.265 52.037 -0.225 0.000 0.851 595 A CB 1.023 19.900 19.000 -0.205 0.000 1.165 595 A HN 1.045 nan 8.150 nan 0.000 0.513 596 c N 1.223 119.617 118.600 -0.342 0.000 2.707 596 c HA 0.592 5.161 4.570 -0.001 0.000 0.313 596 c C -0.565 173.392 174.090 -0.222 0.000 1.209 596 c CA -0.742 55.363 56.329 -0.374 0.000 1.635 596 c CB 0.864 42.933 42.510 -0.735 0.000 2.206 596 c HN 0.803 nan 8.230 nan 0.000 0.485 597 Y N 1.197 121.488 120.300 -0.015 0.000 2.346 597 Y HA 0.181 4.731 4.550 -0.001 0.000 0.330 597 Y C 1.799 177.734 175.900 0.057 0.000 1.178 597 Y CA 0.380 58.480 58.100 0.001 0.000 1.331 597 Y CB 0.857 39.294 38.460 -0.038 0.000 1.253 597 Y HN 0.826 nan 8.280 nan 0.000 0.529 598 S N 2.132 117.942 115.700 0.184 0.000 2.496 598 S HA 0.199 4.668 4.470 -0.001 0.000 0.224 598 S C 0.432 175.072 174.600 0.066 0.000 0.996 598 S CA 0.101 58.399 58.200 0.164 0.000 0.927 598 S CB 0.102 63.384 63.200 0.135 0.000 0.774 598 S HN 0.663 nan 8.310 nan 0.000 0.524 599 R N 0.763 121.195 120.500 -0.113 0.000 2.698 599 R HA 0.486 4.826 4.340 -0.001 0.000 0.275 599 R C -3.298 172.650 176.300 -0.587 0.000 1.001 599 R CA -2.437 53.320 56.100 -0.572 0.000 0.896 599 R CB 1.274 31.298 30.300 -0.460 0.000 1.218 599 R HN 0.050 nan 8.270 nan 0.000 0.462 600 P HA -0.073 nan 4.420 nan 0.000 0.266 600 P C -0.551 176.511 177.300 -0.396 0.000 1.186 600 P CA 0.395 63.070 63.100 -0.709 0.000 0.767 600 P CB 0.494 31.730 31.700 -0.773 0.000 0.820 601 L N 2.237 123.279 121.223 -0.303 0.000 2.399 601 L HA 0.647 4.986 4.340 -0.001 0.000 0.265 601 L C 0.552 177.349 176.870 -0.121 0.000 1.089 601 L CA -0.635 54.050 54.840 -0.258 0.000 0.802 601 L CB 1.036 42.914 42.059 -0.302 0.000 1.180 601 L HN 0.231 nan 8.230 nan 0.000 0.454 602 V N -1.916 117.955 119.914 -0.070 0.000 3.206 602 V HA 0.748 4.867 4.120 -0.001 0.000 0.305 602 V C -0.712 175.404 176.094 0.037 0.000 1.257 602 V CA -0.571 61.733 62.300 0.007 0.000 1.057 602 V CB 2.019 33.874 31.823 0.053 0.000 1.075 602 V HN 0.708 nan 8.190 nan 0.000 0.443 603 S N 1.106 116.841 115.700 0.058 0.000 2.549 603 S HA 1.023 5.492 4.470 -0.001 0.000 0.280 603 S C -1.025 173.617 174.600 0.071 0.000 1.109 603 S CA -0.378 57.820 58.200 -0.003 0.000 0.905 603 S CB 1.688 64.850 63.200 -0.063 0.000 1.081 603 S HN 1.759 nan 8.310 nan 0.000 0.477 604 F N -0.512 119.356 119.950 -0.137 0.000 2.858 604 F HA 0.774 5.301 4.527 -0.000 0.000 0.319 604 F C -1.581 174.114 175.800 -0.176 0.000 1.166 604 F CA -1.361 56.531 58.000 -0.179 0.000 0.899 604 F CB 1.038 39.883 39.000 -0.258 0.000 1.332 604 F HN 0.616 nan 8.300 nan 0.000 0.461 605 R N 0.140 120.614 120.500 -0.044 0.000 2.651 605 R HA 0.469 4.809 4.340 -0.001 0.000 0.278 605 R C -1.224 175.129 176.300 0.087 0.000 1.010 605 R CA -0.832 55.225 56.100 -0.073 0.000 0.896 605 R CB 1.428 31.713 30.300 -0.024 0.000 1.211 605 R HN 0.812 nan 8.270 nan 0.000 0.456 606 Y N 0.326 120.721 120.300 0.160 0.000 2.263 606 Y HA 0.038 4.588 4.550 -0.001 0.000 0.292 606 Y C 0.462 176.408 175.900 0.076 0.000 1.130 606 Y CA 0.897 59.087 58.100 0.150 0.000 1.179 606 Y CB 0.334 38.868 38.460 0.124 0.000 0.998 606 Y HN 0.409 nan 8.280 nan 0.000 0.532 607 E N 0.017 120.343 120.200 0.209 0.000 2.227 607 E HA 0.119 4.469 4.350 -0.001 0.000 0.268 607 E C -0.279 176.363 176.600 0.069 0.000 0.907 607 E CA -0.351 56.118 56.400 0.115 0.000 0.786 607 E CB 1.327 31.083 29.700 0.093 0.000 1.191 607 E HN 0.160 nan 8.360 nan 0.000 0.411 608 D N 0.787 121.215 120.400 0.047 0.000 2.389 608 D HA -0.145 4.495 4.640 -0.001 0.000 0.221 608 D C 0.871 177.184 176.300 0.022 0.000 0.974 608 D CA 1.272 55.289 54.000 0.028 0.000 0.923 608 D CB 0.233 41.047 40.800 0.022 0.000 0.892 608 D HN 0.326 nan 8.370 nan 0.000 0.518 609 Q N -0.771 119.045 119.800 0.027 0.000 2.185 609 Q HA 0.218 4.557 4.340 -0.001 0.000 0.234 609 Q C 1.076 177.087 176.000 0.018 0.000 0.819 609 Q CA -0.174 55.640 55.803 0.018 0.000 0.961 609 Q CB 1.351 30.099 28.738 0.016 0.000 1.140 609 Q HN 0.147 nan 8.270 nan 0.000 0.492 610 G N 2.335 111.156 108.800 0.034 0.000 2.684 610 G HA2 0.266 4.226 3.960 -0.001 0.000 0.255 610 G HA3 0.266 4.226 3.960 -0.001 0.000 0.255 610 G C -2.475 172.432 174.900 0.011 0.000 1.219 610 G CA -0.722 44.402 45.100 0.039 0.000 0.901 610 G HN -0.095 nan 8.290 nan 0.000 0.548 611 P HA 0.160 nan 4.420 nan 0.000 0.271 611 P C -0.467 176.783 177.300 -0.082 0.000 1.233 611 P CA -0.536 62.544 63.100 -0.032 0.000 0.789 611 P CB 0.588 32.273 31.700 -0.025 0.000 0.951 612 L N 2.517 123.671 121.223 -0.115 0.000 2.265 612 L HA 0.281 4.621 4.340 -0.001 0.000 0.288 612 L C -0.790 175.915 176.870 -0.274 0.000 1.058 612 L CA -0.175 54.549 54.840 -0.193 0.000 0.809 612 L CB 0.704 42.683 42.059 -0.133 0.000 1.179 612 L HN 0.040 nan 8.230 nan 0.000 0.429 613 V N 4.624 124.216 119.914 -0.537 0.000 2.532 613 V HA 0.426 4.545 4.120 -0.001 0.000 0.295 613 V C 0.143 175.928 176.094 -0.515 0.000 1.041 613 V CA -0.883 61.066 62.300 -0.584 0.000 0.926 613 V CB 1.643 32.950 31.823 -0.861 0.000 0.992 613 V HN 0.711 nan 8.190 nan 0.000 0.457 614 E N 1.576 121.636 120.200 -0.234 0.000 2.283 614 E HA 0.725 5.074 4.350 -0.001 0.000 0.271 614 E C 0.285 176.892 176.600 0.011 0.000 1.031 614 E CA 0.018 56.358 56.400 -0.100 0.000 0.868 614 E CB 1.830 31.488 29.700 -0.069 0.000 1.094 614 E HN 0.967 nan 8.360 nan 0.000 0.401 615 G N 0.651 109.476 108.800 0.043 0.000 2.325 615 G HA2 0.269 4.228 3.960 -0.001 0.000 0.295 615 G HA3 0.269 4.228 3.960 -0.001 0.000 0.295 615 G C -1.869 173.028 174.900 -0.005 0.000 1.274 615 G CA -0.781 44.365 45.100 0.076 0.000 0.857 615 G HN 0.504 nan 8.290 nan 0.000 0.499 616 Q N -1.177 118.614 119.800 -0.014 0.000 2.456 616 Q HA 0.759 5.099 4.340 -0.001 0.000 0.283 616 Q C -1.317 174.656 176.000 -0.046 0.000 1.084 616 Q CA -1.047 54.707 55.803 -0.083 0.000 0.801 616 Q CB 2.587 31.236 28.738 -0.149 0.000 1.434 616 Q HN 0.757 nan 8.270 nan 0.000 0.419 617 L N 1.809 122.984 121.223 -0.081 0.000 2.410 617 L HA 0.510 4.850 4.340 -0.001 0.000 0.273 617 L C 0.115 176.973 176.870 -0.020 0.000 1.144 617 L CA 0.845 55.676 54.840 -0.014 0.000 0.863 617 L CB 0.686 42.729 42.059 -0.027 0.000 1.140 617 L HN 0.852 nan 8.230 nan 0.000 0.463 618 G N 4.090 112.922 108.800 0.053 0.000 2.583 618 G HA2 0.381 4.340 3.960 -0.001 0.000 0.280 618 G HA3 0.381 4.340 3.960 -0.001 0.000 0.280 618 G C -0.640 174.320 174.900 0.101 0.000 1.376 618 G CA -0.649 44.487 45.100 0.059 0.000 1.043 618 G HN 0.664 nan 8.290 nan 0.000 0.538 619 E N -0.434 119.826 120.200 0.100 0.000 2.345 619 E HA 0.086 4.436 4.350 -0.001 0.000 0.259 619 E C 0.083 176.737 176.600 0.091 0.000 1.117 619 E CA -0.356 56.115 56.400 0.118 0.000 0.913 619 E CB 0.745 30.507 29.700 0.103 0.000 1.057 619 E HN 0.651 nan 8.360 nan 0.000 0.432 620 N N 1.922 120.670 118.700 0.080 0.000 2.699 620 N HA -0.268 4.471 4.740 -0.001 0.000 0.256 620 N C -0.841 174.666 175.510 -0.004 0.000 0.993 620 N CA 0.058 53.124 53.050 0.027 0.000 0.759 620 N CB -0.813 37.685 38.487 0.019 0.000 0.906 620 N HN 0.557 nan 8.380 nan 0.000 0.541 621 N N -0.619 118.073 118.700 -0.014 0.000 2.735 621 N HA -0.230 4.510 4.740 -0.001 0.000 0.248 621 N C -0.331 175.238 175.510 0.099 0.000 1.083 621 N CA 1.575 54.562 53.050 -0.106 0.000 0.703 621 N CB -0.966 37.161 38.487 -0.600 0.000 1.005 621 N HN 0.826 nan 8.380 nan 0.000 0.550 622 E N 0.612 120.894 120.200 0.136 0.000 2.266 622 E HA 0.413 4.762 4.350 -0.001 0.000 0.277 622 E C -0.354 176.315 176.600 0.114 0.000 1.018 622 E CA -0.534 55.947 56.400 0.136 0.000 0.840 622 E CB 0.724 30.478 29.700 0.090 0.000 1.082 622 E HN 0.227 nan 8.360 nan 0.000 0.395 623 L N 5.350 126.593 121.223 0.032 0.000 2.283 623 L HA 0.448 4.787 4.340 -0.001 0.000 0.281 623 L C 0.115 176.959 176.870 -0.043 0.000 1.033 623 L CA -0.614 54.173 54.840 -0.090 0.000 0.848 623 L CB 0.934 42.722 42.059 -0.452 0.000 1.226 623 L HN 0.481 nan 8.230 nan 0.000 0.429 624 R N 3.090 123.599 120.500 0.016 0.000 2.390 624 R HA 0.256 4.596 4.340 -0.001 0.000 0.291 624 R C 0.831 177.181 176.300 0.083 0.000 1.070 624 R CA -0.424 55.705 56.100 0.048 0.000 1.014 624 R CB 1.322 31.646 30.300 0.041 0.000 1.007 624 R HN 0.646 nan 8.270 nan 0.000 0.466 625 L N 1.188 122.478 121.223 0.111 0.000 2.478 625 L HA 0.017 4.356 4.340 -0.001 0.000 0.223 625 L C 0.362 177.290 176.870 0.095 0.000 1.140 625 L CA 0.860 55.786 54.840 0.143 0.000 0.842 625 L CB 0.022 42.178 42.059 0.161 0.000 0.953 625 L HN 0.581 nan 8.230 nan 0.000 0.452 626 T N 0.532 115.130 114.554 0.074 0.000 2.758 626 T HA 0.302 4.652 4.350 -0.001 0.000 0.285 626 T C 0.420 175.154 174.700 0.057 0.000 0.981 626 T CA -0.492 61.645 62.100 0.063 0.000 0.965 626 T CB 1.186 70.090 68.868 0.060 0.000 0.927 626 T HN 0.085 nan 8.240 nan 0.000 0.448 627 R N 2.649 123.186 120.500 0.060 0.000 4.496 627 R HA 0.135 4.474 4.340 -0.001 0.000 0.211 627 R C 0.262 176.676 176.300 0.189 0.000 1.738 627 R CA -0.177 55.968 56.100 0.075 0.000 1.528 627 R CB -0.095 30.211 30.300 0.009 0.000 1.414 627 R HN 0.653 nan 8.270 nan 0.000 0.812 628 D N -0.439 120.041 120.400 0.132 0.000 2.423 628 D HA -0.017 4.622 4.640 -0.001 0.000 0.208 628 D C 0.527 176.889 176.300 0.103 0.000 1.068 628 D CA -0.171 53.896 54.000 0.112 0.000 0.860 628 D CB 0.240 41.080 40.800 0.068 0.000 0.992 628 D HN 0.127 nan 8.370 nan 0.000 0.504 629 A N 1.189 124.079 122.820 0.116 0.000 2.535 629 A HA 0.421 4.740 4.320 -0.001 0.000 0.290 629 A C 0.105 177.761 177.584 0.120 0.000 1.270 629 A CA 0.033 52.128 52.037 0.096 0.000 0.937 629 A CB -0.970 18.076 19.000 0.075 0.000 1.096 629 A HN 0.336 nan 8.150 nan 0.000 0.534 630 I N 1.323 121.919 120.570 0.045 0.000 3.002 630 I HA 0.638 4.807 4.170 -0.001 0.000 0.310 630 I C 0.025 176.134 176.117 -0.013 0.000 1.087 630 I CA -0.768 60.513 61.300 -0.032 0.000 1.017 630 I CB 2.494 40.408 38.000 -0.143 0.000 1.226 630 I HN 0.854 nan 8.210 nan 0.000 0.443 631 E N 1.872 122.051 120.200 -0.035 0.000 2.429 631 E HA 0.472 4.821 4.350 -0.001 0.000 0.280 631 E C -2.964 173.611 176.600 -0.042 0.000 1.068 631 E CA -2.088 54.311 56.400 -0.002 0.000 0.837 631 E CB 1.472 31.212 29.700 0.068 0.000 1.357 631 E HN 0.093 nan 8.360 nan 0.000 0.455 632 P HA 0.162 nan 4.420 nan 0.000 0.276 632 P C -0.549 176.717 177.300 -0.055 0.000 1.253 632 P CA -0.370 62.701 63.100 -0.049 0.000 0.766 632 P CB 0.326 32.015 31.700 -0.018 0.000 0.845 633 c N 3.593 122.085 118.600 -0.179 0.000 2.538 633 c HA 0.160 4.729 4.570 -0.001 0.000 0.408 633 c C 1.151 175.204 174.090 -0.061 0.000 1.421 633 c CA 0.529 56.668 56.329 -0.317 0.000 1.642 633 c CB -1.393 40.852 42.510 -0.441 0.000 2.553 633 c HN 0.557 nan 8.230 nan 0.000 0.604 634 T N 2.291 116.928 114.554 0.138 0.000 2.888 634 T HA 0.553 4.902 4.350 -0.001 0.000 0.288 634 T C -0.204 174.630 174.700 0.223 0.000 1.063 634 T CA -0.570 61.632 62.100 0.170 0.000 1.010 634 T CB 1.260 70.240 68.868 0.185 0.000 1.214 634 T HN 0.409 nan 8.240 nan 0.000 0.533 635 V N 0.805 120.809 119.914 0.149 0.000 2.743 635 V HA 0.572 4.692 4.120 -0.001 0.000 0.301 635 V C 1.380 177.553 176.094 0.133 0.000 1.057 635 V CA 0.271 62.651 62.300 0.133 0.000 1.006 635 V CB 0.797 32.669 31.823 0.081 0.000 1.024 635 V HN 1.262 nan 8.190 nan 0.000 0.473 636 G N 1.959 110.830 108.800 0.119 0.000 2.225 636 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.267 636 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.267 636 G C 0.142 175.085 174.900 0.071 0.000 1.024 636 G CA 0.622 45.772 45.100 0.083 0.000 0.784 636 G HN 1.279 nan 8.290 nan 0.000 0.507 637 H N 0.675 119.737 119.070 -0.013 0.000 3.187 637 H HA 0.409 4.965 4.556 -0.001 0.000 0.286 637 H C 0.838 176.050 175.328 -0.195 0.000 0.944 637 H CA 0.796 56.753 56.048 -0.151 0.000 1.429 637 H CB 0.231 29.773 29.762 -0.365 0.000 1.483 637 H HN 0.473 nan 8.280 nan 0.000 0.555 638 R N 5.112 125.244 120.500 -0.613 0.000 2.514 638 R HA 0.492 4.832 4.340 -0.001 0.000 0.296 638 R C -0.714 175.213 176.300 -0.621 0.000 1.012 638 R CA -1.054 54.728 56.100 -0.530 0.000 0.897 638 R CB 1.517 31.728 30.300 -0.149 0.000 1.184 638 R HN 0.544 nan 8.270 nan 0.000 0.440 639 R N 2.422 122.457 120.500 -0.776 0.000 2.626 639 R HA 0.351 4.690 4.340 -0.001 0.000 0.274 639 R C -1.492 174.338 176.300 -0.785 0.000 1.031 639 R CA -0.888 54.764 56.100 -0.746 0.000 0.898 639 R CB 1.693 31.472 30.300 -0.870 0.000 1.222 639 R HN 0.531 nan 8.270 nan 0.000 0.455 640 Y N 1.740 121.630 120.300 -0.683 0.000 2.326 640 Y HA 0.482 5.031 4.550 -0.001 0.000 0.331 640 Y C -0.387 175.215 175.900 -0.498 0.000 0.962 640 Y CA -0.522 57.328 58.100 -0.416 0.000 1.167 640 Y CB 1.410 39.630 38.460 -0.400 0.000 1.148 640 Y HN 0.377 nan 8.280 nan 0.000 0.463 641 F N 1.151 121.293 119.950 0.320 0.000 2.444 641 F HA 0.366 4.893 4.527 -0.001 0.000 0.342 641 F C 0.581 176.669 175.800 0.481 0.000 1.121 641 F CA -1.160 57.034 58.000 0.323 0.000 0.997 641 F CB 1.615 40.714 39.000 0.164 0.000 1.130 641 F HN 0.305 nan 8.300 nan 0.000 0.454 642 T N 3.956 118.868 114.554 0.597 0.000 2.866 642 T HA 0.032 4.382 4.350 -0.001 0.000 0.293 642 T C -0.970 173.956 174.700 0.377 0.000 1.005 642 T CA 0.829 63.104 62.100 0.292 0.000 1.162 642 T CB -0.264 68.688 68.868 0.140 0.000 0.968 642 T HN 0.386 nan 8.240 nan 0.000 0.530 643 F N 2.804 122.801 119.950 0.079 0.000 2.787 643 F HA 0.501 5.028 4.527 -0.001 0.000 0.340 643 F C 0.645 176.493 175.800 0.080 0.000 1.232 643 F CA 0.299 58.408 58.000 0.182 0.000 1.051 643 F CB 0.528 39.714 39.000 0.310 0.000 1.330 643 F HN 0.825 nan 8.300 nan 0.000 0.522 644 G N 4.043 112.519 108.800 -0.540 0.000 2.602 644 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.310 644 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.310 644 G C 1.071 175.801 174.900 -0.283 0.000 1.183 644 G CA 0.289 45.099 45.100 -0.482 0.000 0.979 644 G HN 1.630 nan 8.290 nan 0.000 0.545 645 G N 0.673 109.387 108.800 -0.143 0.000 3.042 645 G HA2 0.608 4.567 3.960 -0.001 0.000 0.212 645 G HA3 0.608 4.567 3.960 -0.001 0.000 0.212 645 G C 0.761 175.590 174.900 -0.119 0.000 1.166 645 G CA 1.597 46.629 45.100 -0.113 0.000 0.767 645 G HN 1.751 nan 8.290 nan 0.000 0.546 646 G N -0.914 107.819 108.800 -0.112 0.000 3.321 646 G HA2 0.541 4.501 3.960 -0.001 0.000 0.169 646 G HA3 0.541 4.501 3.960 -0.001 0.000 0.169 646 G C -1.428 173.294 174.900 -0.297 0.000 1.153 646 G CA -0.696 44.292 45.100 -0.186 0.000 1.007 646 G HN 0.061 nan 8.290 nan 0.000 0.668 647 Y N -1.913 118.533 120.300 0.244 0.000 2.609 647 Y HA 0.674 5.224 4.550 -0.001 0.000 0.342 647 Y C -0.497 175.575 175.900 0.285 0.000 1.058 647 Y CA -0.955 57.322 58.100 0.295 0.000 1.055 647 Y CB 2.455 41.083 38.460 0.281 0.000 1.292 647 Y HN 0.384 nan 8.280 nan 0.000 0.476 648 V N 2.169 122.352 119.914 0.448 0.000 2.487 648 V HA 0.435 4.554 4.120 -0.001 0.000 0.298 648 V C -1.810 174.354 176.094 0.116 0.000 1.028 648 V CA -0.693 61.714 62.300 0.178 0.000 0.860 648 V CB 1.057 32.954 31.823 0.124 0.000 0.991 648 V HN 0.672 nan 8.190 nan 0.000 0.427 649 Y N 7.167 127.209 120.300 -0.431 0.000 2.326 649 Y HA 0.679 5.229 4.550 -0.001 0.000 0.337 649 Y C -1.116 174.447 175.900 -0.562 0.000 1.023 649 Y CA -1.011 56.713 58.100 -0.626 0.000 1.143 649 Y CB 1.273 39.138 38.460 -0.991 0.000 1.183 649 Y HN 0.603 nan 8.280 nan 0.000 0.485 650 F N 4.227 123.517 119.950 -1.099 0.000 2.495 650 F HA 0.432 4.958 4.527 -0.001 0.000 0.327 650 F C -0.445 174.731 175.800 -1.041 0.000 1.103 650 F CA -0.805 56.737 58.000 -0.763 0.000 0.949 650 F CB 1.982 40.848 39.000 -0.223 0.000 1.142 650 F HN 0.497 nan 8.300 nan 0.000 0.457 651 E N 1.858 121.751 120.200 -0.510 0.000 2.272 651 E HA 0.367 4.716 4.350 -0.001 0.000 0.269 651 E C -0.957 175.638 176.600 -0.008 0.000 0.877 651 E CA -0.429 55.772 56.400 -0.332 0.000 0.755 651 E CB 1.063 30.626 29.700 -0.229 0.000 1.192 651 E HN 0.443 nan 8.360 nan 0.000 0.422 652 E N 3.346 123.607 120.200 0.102 0.000 2.199 652 E HA -0.272 4.077 4.350 -0.001 0.000 0.208 652 E C -0.787 176.017 176.600 0.341 0.000 1.310 652 E CA 1.215 57.758 56.400 0.238 0.000 0.709 652 E CB -1.780 28.016 29.700 0.160 0.000 1.127 652 E HN 0.786 nan 8.360 nan 0.000 0.354 653 Y N -3.549 116.931 120.300 0.300 0.000 3.396 653 Y HA -0.278 4.272 4.550 -0.001 0.000 0.214 653 Y C 0.747 176.827 175.900 0.300 0.000 1.203 653 Y CA 1.007 59.229 58.100 0.203 0.000 1.401 653 Y CB -1.573 36.858 38.460 -0.049 0.000 1.409 653 Y HN 0.482 nan 8.280 nan 0.000 0.594 654 A N -0.536 122.502 122.820 0.364 0.000 2.398 654 A HA 0.585 4.905 4.320 -0.001 0.000 0.301 654 A C -0.885 176.516 177.584 -0.305 0.000 1.041 654 A CA -0.930 51.205 52.037 0.163 0.000 0.711 654 A CB 0.674 19.728 19.000 0.091 0.000 1.240 654 A HN 0.281 nan 8.150 nan 0.000 0.420 655 Y N 2.334 122.186 120.300 -0.746 0.000 2.811 655 Y HA 0.205 4.755 4.550 -0.001 0.000 0.334 655 Y C 1.333 176.854 175.900 -0.631 0.000 1.247 655 Y CA 1.807 59.118 58.100 -1.315 0.000 1.526 655 Y CB 0.972 39.004 38.460 -0.714 0.000 1.284 655 Y HN 0.735 nan 8.280 nan 0.000 0.586 656 S N 3.302 118.365 115.700 -1.062 0.000 2.891 656 S HA 0.200 4.669 4.470 -0.001 0.000 0.247 656 S C -0.932 173.494 174.600 -0.289 0.000 1.063 656 S CA 0.774 58.719 58.200 -0.424 0.000 0.857 656 S CB -0.100 62.974 63.200 -0.211 0.000 0.800 656 S HN 0.987 nan 8.310 nan 0.000 0.540 657 H N -1.129 117.526 119.070 -0.691 0.000 2.919 657 H HA 0.494 5.050 4.556 -0.001 0.000 0.270 657 H C -1.527 173.669 175.328 -0.221 0.000 1.412 657 H CA -1.047 54.822 56.048 -0.299 0.000 1.261 657 H CB 0.079 29.809 29.762 -0.052 0.000 1.850 657 H HN 0.232 nan 8.280 nan 0.000 0.478 658 Q N 0.719 120.602 119.800 0.139 0.000 2.195 658 Q HA 0.755 5.094 4.340 -0.001 0.000 0.250 658 Q C -0.606 175.594 176.000 0.334 0.000 0.988 658 Q CA -1.053 54.870 55.803 0.201 0.000 0.911 658 Q CB 2.702 31.620 28.738 0.299 0.000 1.258 658 Q HN 0.616 nan 8.270 nan 0.000 0.475 659 L N -3.175 118.234 121.223 0.309 0.000 2.568 659 L HA 0.704 5.044 4.340 -0.001 0.000 0.257 659 L C -0.607 176.413 176.870 0.250 0.000 1.024 659 L CA -1.129 53.885 54.840 0.289 0.000 0.854 659 L CB 1.860 44.115 42.059 0.326 0.000 1.460 659 L HN 0.499 nan 8.230 nan 0.000 0.409 660 S N -0.386 115.426 115.700 0.188 0.000 2.617 660 S HA 0.360 4.829 4.470 -0.001 0.000 0.269 660 S C 0.910 175.617 174.600 0.177 0.000 1.292 660 S CA -0.296 57.989 58.200 0.143 0.000 1.010 660 S CB 1.366 64.624 63.200 0.097 0.000 0.944 660 S HN 0.817 nan 8.310 nan 0.000 0.536 661 R N 1.709 122.285 120.500 0.127 0.000 2.193 661 R HA -0.015 4.325 4.340 -0.001 0.000 0.229 661 R C 2.057 178.438 176.300 0.134 0.000 1.110 661 R CA 1.268 57.470 56.100 0.170 0.000 0.988 661 R CB -0.599 29.739 30.300 0.063 0.000 0.871 661 R HN 0.735 nan 8.270 nan 0.000 0.458 662 A N 0.429 123.303 122.820 0.089 0.000 2.121 662 A HA -0.126 4.194 4.320 -0.001 0.000 0.218 662 A C 1.176 178.787 177.584 0.045 0.000 1.154 662 A CA 1.327 53.398 52.037 0.057 0.000 0.679 662 A CB -0.120 18.907 19.000 0.045 0.000 0.795 662 A HN 0.294 nan 8.150 nan 0.000 0.458 663 D N -0.695 119.744 120.400 0.065 0.000 2.347 663 D HA 0.085 4.724 4.640 -0.001 0.000 0.215 663 D C -0.127 176.162 176.300 -0.020 0.000 0.976 663 D CA 0.557 54.577 54.000 0.034 0.000 0.884 663 D CB 0.175 41.016 40.800 0.070 0.000 0.915 663 D HN 0.353 nan 8.370 nan 0.000 0.526 664 I N 0.054 120.608 120.570 -0.026 0.000 2.525 664 I HA 0.048 4.217 4.170 -0.001 0.000 0.301 664 I C 0.685 176.761 176.117 -0.069 0.000 0.992 664 I CA -0.662 60.574 61.300 -0.107 0.000 1.162 664 I CB 1.858 39.747 38.000 -0.185 0.000 1.332 664 I HN -0.347 nan 8.210 nan 0.000 0.458 665 T N 3.676 118.175 114.554 -0.093 0.000 2.870 665 T HA 0.284 4.634 4.350 -0.001 0.000 0.300 665 T C -0.027 174.634 174.700 -0.065 0.000 0.989 665 T CA -0.064 61.996 62.100 -0.067 0.000 1.139 665 T CB -0.102 68.723 68.868 -0.072 0.000 0.920 665 T HN 0.655 nan 8.240 nan 0.000 0.537 666 T N 5.197 119.725 114.554 -0.044 0.000 2.795 666 T HA 0.569 4.918 4.350 -0.001 0.000 0.282 666 T C -0.072 174.594 174.700 -0.057 0.000 0.980 666 T CA -0.675 61.398 62.100 -0.044 0.000 1.012 666 T CB 1.010 69.866 68.868 -0.021 0.000 0.936 666 T HN 0.765 nan 8.240 nan 0.000 0.457 667 V N 0.701 120.567 119.914 -0.080 0.000 2.815 667 V HA 0.898 5.018 4.120 -0.001 0.000 0.314 667 V C -0.032 175.975 176.094 -0.145 0.000 1.064 667 V CA -0.901 61.343 62.300 -0.092 0.000 0.952 667 V CB 1.956 33.726 31.823 -0.089 0.000 1.020 667 V HN 0.758 nan 8.190 nan 0.000 0.439 668 S N 0.862 116.466 115.700 -0.161 0.000 2.537 668 S HA 0.580 5.050 4.470 -0.001 0.000 0.301 668 S C 0.907 175.325 174.600 -0.304 0.000 1.092 668 S CA 0.173 58.196 58.200 -0.295 0.000 1.048 668 S CB 1.766 64.849 63.200 -0.195 0.000 1.053 668 S HN 1.306 nan 8.310 nan 0.000 0.501 669 T N 1.278 115.518 114.554 -0.523 0.000 3.086 669 T HA 0.346 4.695 4.350 -0.001 0.000 0.250 669 T C 0.036 174.664 174.700 -0.120 0.000 1.074 669 T CA -0.069 61.856 62.100 -0.293 0.000 0.988 669 T CB -0.412 68.302 68.868 -0.256 0.000 0.988 669 T HN 0.360 nan 8.240 nan 0.000 0.530 670 F N 1.642 121.599 119.950 0.013 0.000 2.412 670 F HA 0.574 5.101 4.527 -0.001 0.000 0.348 670 F C 0.345 176.158 175.800 0.021 0.000 1.102 670 F CA -2.920 55.093 58.000 0.022 0.000 1.196 670 F CB 0.029 39.044 39.000 0.025 0.000 1.144 670 F HN -0.066 nan 8.300 nan 0.000 0.541 671 I N 3.389 124.095 120.570 0.226 0.000 2.365 671 I HA 0.171 4.340 4.170 -0.001 0.000 0.291 671 I C 0.239 176.431 176.117 0.125 0.000 1.004 671 I CA -0.549 60.832 61.300 0.134 0.000 1.311 671 I CB 0.283 38.345 38.000 0.103 0.000 1.401 671 I HN 0.419 nan 8.210 nan 0.000 0.491 672 D N 5.515 125.972 120.400 0.095 0.000 2.313 672 D HA 0.472 5.111 4.640 -0.001 0.000 0.247 672 D C -0.712 175.621 176.300 0.055 0.000 1.094 672 D CA -0.155 53.889 54.000 0.075 0.000 0.925 672 D CB 1.880 42.717 40.800 0.063 0.000 1.188 672 D HN 0.177 nan 8.370 nan 0.000 0.430 673 L N 2.053 123.301 121.223 0.041 0.000 2.580 673 L HA 0.266 4.606 4.340 -0.001 0.000 0.266 673 L C -1.487 175.393 176.870 0.016 0.000 0.955 673 L CA -0.540 54.318 54.840 0.030 0.000 0.886 673 L CB 1.526 43.604 42.059 0.032 0.000 1.263 673 L HN 0.163 nan 8.230 nan 0.000 0.406 674 N N 5.852 124.560 118.700 0.013 0.000 2.707 674 N HA 0.436 5.175 4.740 -0.001 0.000 0.235 674 N C -1.302 174.208 175.510 0.001 0.000 1.028 674 N CA -0.409 52.645 53.050 0.007 0.000 0.906 674 N CB 0.412 38.905 38.487 0.009 0.000 1.131 674 N HN 0.446 nan 8.380 nan 0.000 0.509 675 I N 2.192 122.759 120.570 -0.005 0.000 2.385 675 I HA 0.351 4.520 4.170 -0.001 0.000 0.294 675 I C 0.621 176.732 176.117 -0.010 0.000 0.988 675 I CA -0.424 60.870 61.300 -0.010 0.000 1.265 675 I CB 0.919 38.907 38.000 -0.020 0.000 1.388 675 I HN 0.497 nan 8.210 nan 0.000 0.480 676 T N 3.814 118.363 114.554 -0.008 0.000 2.907 676 T HA 0.677 5.027 4.350 -0.001 0.000 0.292 676 T C -0.066 174.630 174.700 -0.007 0.000 1.043 676 T CA -0.966 61.130 62.100 -0.007 0.000 1.003 676 T CB 1.767 70.633 68.868 -0.003 0.000 1.084 676 T HN 0.344 nan 8.240 nan 0.000 0.483 677 M N 1.982 121.579 119.600 -0.005 0.000 2.241 677 M HA 0.319 4.799 4.480 -0.001 0.000 0.335 677 M C -0.178 176.124 176.300 0.003 0.000 1.122 677 M CA -0.848 54.451 55.300 -0.002 0.000 1.164 677 M CB 0.563 33.162 32.600 -0.001 0.000 1.459 677 M HN 0.568 nan 8.290 nan 0.000 0.461 678 L N 3.607 124.834 121.223 0.006 0.000 2.319 678 L HA 0.177 4.516 4.340 -0.001 0.000 0.280 678 L C 0.228 177.111 176.870 0.022 0.000 1.099 678 L CA -0.073 54.775 54.840 0.012 0.000 0.828 678 L CB 0.334 42.402 42.059 0.015 0.000 1.150 678 L HN 0.596 nan 8.230 nan 0.000 0.442 679 E N 3.253 123.468 120.200 0.024 0.000 2.318 679 E HA 0.174 4.523 4.350 -0.001 0.000 0.265 679 E C -0.877 175.757 176.600 0.056 0.000 1.069 679 E CA -0.577 55.843 56.400 0.032 0.000 0.893 679 E CB 0.421 30.136 29.700 0.025 0.000 1.076 679 E HN 0.533 nan 8.360 nan 0.000 0.414 680 D N 0.705 121.135 120.400 0.051 0.000 2.449 680 D HA 0.138 4.778 4.640 -0.001 0.000 0.236 680 D C -0.376 175.974 176.300 0.084 0.000 1.149 680 D CA 0.759 54.797 54.000 0.064 0.000 0.878 680 D CB 0.169 40.988 40.800 0.031 0.000 1.198 680 D HN 0.521 nan 8.370 nan 0.000 0.446 681 H N -0.144 118.908 119.070 -0.031 0.000 2.974 681 H HA 0.249 4.804 4.556 -0.001 0.000 0.366 681 H C -1.217 174.003 175.328 -0.179 0.000 1.155 681 H CA -0.662 55.297 56.048 -0.147 0.000 1.186 681 H CB 1.197 30.819 29.762 -0.233 0.000 1.799 681 H HN 0.047 nan 8.280 nan 0.000 0.541 682 E N 4.383 124.089 120.200 -0.824 0.000 2.151 682 E HA 0.198 4.547 4.350 -0.001 0.000 0.275 682 E C -0.976 175.255 176.600 -0.614 0.000 0.936 682 E CA -0.570 55.556 56.400 -0.457 0.000 0.777 682 E CB 1.398 30.931 29.700 -0.277 0.000 1.108 682 E HN 0.350 nan 8.360 nan 0.000 0.401 683 F N 1.675 121.592 119.950 -0.055 0.000 2.405 683 F HA 0.200 4.727 4.527 -0.001 0.000 0.355 683 F C 0.715 176.515 175.800 -0.000 0.000 1.121 683 F CA -1.022 56.993 58.000 0.026 0.000 1.112 683 F CB 1.139 40.191 39.000 0.087 0.000 1.126 683 F HN 0.129 nan 8.300 nan 0.000 0.481 684 V N 1.578 121.556 119.914 0.107 0.000 2.716 684 V HA 0.671 4.791 4.120 -0.001 0.000 0.304 684 V C -2.325 173.825 176.094 0.093 0.000 1.053 684 V CA -2.409 59.932 62.300 0.069 0.000 0.984 684 V CB 0.632 32.465 31.823 0.016 0.000 1.021 684 V HN 0.519 nan 8.190 nan 0.000 0.467 685 P HA 0.473 nan 4.420 nan 0.000 0.265 685 P C -1.035 176.298 177.300 0.055 0.000 1.193 685 P CA 0.087 63.224 63.100 0.063 0.000 0.765 685 P CB 0.448 32.178 31.700 0.049 0.000 0.823 686 L N 2.247 123.504 121.223 0.055 0.000 2.614 686 L HA 0.379 4.718 4.340 -0.001 0.000 0.264 686 L C -1.132 175.758 176.870 0.033 0.000 0.940 686 L CA -0.144 54.721 54.840 0.041 0.000 0.903 686 L CB 1.728 43.817 42.059 0.050 0.000 1.306 686 L HN 0.365 nan 8.230 nan 0.000 0.410 687 E N 3.331 123.542 120.200 0.017 0.000 2.317 687 E HA 0.458 4.807 4.350 -0.001 0.000 0.270 687 E C -0.023 176.547 176.600 -0.049 0.000 0.885 687 E CA -0.875 55.532 56.400 0.012 0.000 0.760 687 E CB 2.588 32.313 29.700 0.042 0.000 1.227 687 E HN 0.410 nan 8.360 nan 0.000 0.434 688 V N 1.077 120.932 119.914 -0.098 0.000 2.302 688 V HA -0.088 4.032 4.120 -0.001 0.000 0.243 688 V C 0.046 175.844 176.094 -0.494 0.000 1.036 688 V CA 1.234 63.339 62.300 -0.326 0.000 1.020 688 V CB -0.262 31.335 31.823 -0.377 0.000 0.657 688 V HN 0.538 nan 8.190 nan 0.000 0.453 689 Y N 0.281 120.605 120.300 0.040 0.000 2.350 689 Y HA 0.506 5.055 4.550 -0.001 0.000 0.338 689 Y C 0.643 176.573 175.900 0.051 0.000 0.961 689 Y CA -0.943 57.183 58.100 0.043 0.000 1.100 689 Y CB 1.400 39.881 38.460 0.036 0.000 1.179 689 Y HN 0.087 nan 8.280 nan 0.000 0.454 690 T N -1.262 113.418 114.554 0.209 0.000 2.828 690 T HA 0.189 4.538 4.350 -0.001 0.000 0.290 690 T C 1.235 176.025 174.700 0.149 0.000 1.019 690 T CA -0.771 61.438 62.100 0.183 0.000 1.031 690 T CB 1.041 70.057 68.868 0.246 0.000 1.001 690 T HN 0.885 nan 8.240 nan 0.000 0.531 691 R N 0.281 120.813 120.500 0.053 0.000 2.193 691 R HA -0.130 4.209 4.340 -0.001 0.000 0.229 691 R C 1.494 177.709 176.300 -0.141 0.000 1.110 691 R CA 1.642 57.694 56.100 -0.080 0.000 0.988 691 R CB -0.888 29.312 30.300 -0.168 0.000 0.871 691 R HN 0.834 nan 8.270 nan 0.000 0.458 692 H N 0.811 119.909 119.070 0.047 0.000 2.395 692 H HA 0.039 4.595 4.556 -0.001 0.000 0.299 692 H C 1.592 176.946 175.328 0.044 0.000 1.070 692 H CA 1.623 57.694 56.048 0.040 0.000 1.356 692 H CB 0.020 29.804 29.762 0.036 0.000 1.401 692 H HN 0.445 nan 8.280 nan 0.000 0.524 693 E N 0.531 120.843 120.200 0.186 0.000 2.072 693 E HA -0.120 4.230 4.350 -0.001 0.000 0.191 693 E C 2.020 178.658 176.600 0.062 0.000 0.985 693 E CA 1.028 57.511 56.400 0.139 0.000 0.801 693 E CB -0.036 29.790 29.700 0.210 0.000 0.750 693 E HN 0.448 nan 8.360 nan 0.000 0.452 694 I N 1.495 122.090 120.570 0.042 0.000 2.179 694 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 694 I C 2.701 178.809 176.117 -0.016 0.000 1.088 694 I CA 1.192 62.479 61.300 -0.021 0.000 1.357 694 I CB -0.309 37.680 38.000 -0.017 0.000 1.051 694 I HN 0.059 nan 8.210 nan 0.000 0.409 695 K N 1.082 121.480 120.400 -0.004 0.000 2.032 695 K HA -0.301 4.018 4.320 -0.001 0.000 0.209 695 K C 1.674 178.283 176.600 0.015 0.000 1.048 695 K CA 2.468 58.755 56.287 -0.000 0.000 0.927 695 K CB -0.236 32.263 32.500 -0.002 0.000 0.712 695 K HN 0.233 nan 8.250 nan 0.000 0.441 696 D N -0.086 120.334 120.400 0.032 0.000 2.312 696 D HA -0.084 4.556 4.640 -0.001 0.000 0.211 696 D C 1.733 178.040 176.300 0.012 0.000 0.964 696 D CA 1.078 55.097 54.000 0.032 0.000 0.877 696 D CB 0.114 40.945 40.800 0.052 0.000 0.924 696 D HN 0.332 nan 8.370 nan 0.000 0.515 697 S N -0.972 114.723 115.700 -0.008 0.000 2.469 697 S HA -0.011 4.458 4.470 -0.001 0.000 0.238 697 S C 1.385 175.971 174.600 -0.024 0.000 0.998 697 S CA 0.389 58.570 58.200 -0.031 0.000 0.957 697 S CB -0.609 62.544 63.200 -0.077 0.000 0.764 697 S HN 0.229 nan 8.310 nan 0.000 0.514 698 G N 1.304 110.097 108.800 -0.012 0.000 2.364 698 G HA2 0.475 4.435 3.960 -0.001 0.000 0.267 698 G HA3 0.475 4.435 3.960 -0.001 0.000 0.267 698 G C 0.470 175.371 174.900 0.002 0.000 1.233 698 G CA -0.534 44.562 45.100 -0.007 0.000 0.885 698 G HN 0.262 nan 8.290 nan 0.000 0.490 699 L N 2.904 124.126 121.223 -0.002 0.000 1.971 699 L HA 0.090 4.429 4.340 -0.001 0.000 0.215 699 L C 1.129 178.006 176.870 0.012 0.000 1.072 699 L CA 1.611 56.453 54.840 0.002 0.000 0.758 699 L CB -0.345 41.712 42.059 -0.004 0.000 0.889 699 L HN 0.441 nan 8.230 nan 0.000 0.433 700 L N 0.184 121.418 121.223 0.018 0.000 2.322 700 L HA 0.307 4.647 4.340 -0.001 0.000 0.281 700 L C -0.840 176.061 176.870 0.052 0.000 1.014 700 L CA -0.581 54.279 54.840 0.034 0.000 0.815 700 L CB 1.543 43.624 42.059 0.038 0.000 1.247 700 L HN 0.048 nan 8.230 nan 0.000 0.421 701 D N 1.813 122.248 120.400 0.058 0.000 2.373 701 D HA 0.013 4.653 4.640 -0.001 0.000 0.227 701 D C 0.513 176.879 176.300 0.110 0.000 1.091 701 D CA -0.300 53.745 54.000 0.075 0.000 0.840 701 D CB 1.128 41.956 40.800 0.048 0.000 1.060 701 D HN 0.434 nan 8.370 nan 0.000 0.502 702 Y N 3.538 123.840 120.300 0.005 0.000 2.114 702 Y HA -0.288 4.262 4.550 -0.001 0.000 0.282 702 Y C 1.989 177.895 175.900 0.010 0.000 1.165 702 Y CA 2.147 60.251 58.100 0.007 0.000 1.148 702 Y CB -0.467 37.999 38.460 0.009 0.000 0.972 702 Y HN 0.369 nan 8.280 nan 0.000 0.504 703 T N 0.533 115.066 114.554 -0.036 0.000 2.684 703 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 703 T C 1.659 176.289 174.700 -0.116 0.000 1.036 703 T CA 1.676 63.700 62.100 -0.126 0.000 1.148 703 T CB -0.186 68.671 68.868 -0.019 0.000 0.863 703 T HN 0.339 nan 8.240 nan 0.000 0.436 704 E N 0.730 120.902 120.200 -0.047 0.000 2.077 704 E HA -0.054 4.296 4.350 -0.001 0.000 0.193 704 E C 2.479 179.053 176.600 -0.043 0.000 0.989 704 E CA 0.658 57.041 56.400 -0.029 0.000 0.800 704 E CB -0.667 29.034 29.700 0.002 0.000 0.746 704 E HN 0.340 nan 8.360 nan 0.000 0.452 705 V N 1.665 121.548 119.914 -0.051 0.000 2.427 705 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 705 V C 2.385 178.422 176.094 -0.094 0.000 1.051 705 V CA 1.367 63.641 62.300 -0.043 0.000 1.048 705 V CB -0.366 31.458 31.823 0.002 0.000 0.666 705 V HN 0.163 nan 8.190 nan 0.000 0.456 706 Q N -0.222 119.450 119.800 -0.213 0.000 2.049 706 Q HA -0.110 4.230 4.340 -0.001 0.000 0.198 706 Q C 2.424 178.350 176.000 -0.124 0.000 0.971 706 Q CA 1.206 56.870 55.803 -0.232 0.000 0.833 706 Q CB -0.577 27.894 28.738 -0.445 0.000 0.896 706 Q HN 0.427 nan 8.270 nan 0.000 0.434 707 R N 1.061 121.495 120.500 -0.110 0.000 2.094 707 R HA -0.148 4.191 4.340 -0.001 0.000 0.239 707 R C 2.189 178.475 176.300 -0.024 0.000 1.137 707 R CA 1.711 57.776 56.100 -0.058 0.000 0.943 707 R CB -0.306 29.966 30.300 -0.047 0.000 0.850 707 R HN 0.188 nan 8.270 nan 0.000 0.433 708 R N 0.039 120.532 120.500 -0.013 0.000 2.066 708 R HA -0.100 4.240 4.340 -0.001 0.000 0.232 708 R C 1.793 178.127 176.300 0.056 0.000 1.131 708 R CA 1.813 57.928 56.100 0.025 0.000 0.955 708 R CB -0.209 30.109 30.300 0.031 0.000 0.851 708 R HN 0.225 nan 8.270 nan 0.000 0.432 709 N N 0.810 119.528 118.700 0.030 0.000 2.244 709 N HA -0.139 4.601 4.740 -0.001 0.000 0.183 709 N C 1.305 176.855 175.510 0.067 0.000 1.016 709 N CA 1.116 54.191 53.050 0.042 0.000 0.866 709 N CB -0.045 38.438 38.487 -0.007 0.000 0.980 709 N HN 0.388 nan 8.380 nan 0.000 0.430 710 Q N -0.360 119.463 119.800 0.037 0.000 2.451 710 Q HA 0.175 4.515 4.340 -0.001 0.000 0.206 710 Q C 0.994 177.032 176.000 0.065 0.000 0.947 710 Q CA 0.197 56.026 55.803 0.044 0.000 0.937 710 Q CB 0.271 29.012 28.738 0.006 0.000 1.025 710 Q HN 0.340 nan 8.270 nan 0.000 0.511 711 L N -0.537 120.732 121.223 0.077 0.000 2.611 711 L HA 0.024 4.364 4.340 -0.001 0.000 0.229 711 L C 1.573 178.501 176.870 0.096 0.000 1.137 711 L CA -0.043 54.828 54.840 0.053 0.000 0.901 711 L CB -0.058 42.012 42.059 0.017 0.000 1.098 711 L HN 0.272 nan 8.230 nan 0.000 0.456 712 H N 0.723 119.848 119.070 0.092 0.000 2.290 712 H HA -0.200 4.356 4.556 -0.001 0.000 0.298 712 H C 1.782 177.227 175.328 0.194 0.000 1.087 712 H CA 2.184 58.361 56.048 0.215 0.000 1.291 712 H CB 0.297 30.167 29.762 0.180 0.000 1.369 712 H HN 0.251 nan 8.280 nan 0.000 0.492 713 D N 0.058 120.538 120.400 0.133 0.000 2.117 713 D HA -0.125 4.515 4.640 -0.001 0.000 0.198 713 D C 2.311 178.594 176.300 -0.028 0.000 0.982 713 D CA 0.976 55.005 54.000 0.048 0.000 0.828 713 D CB -0.152 40.692 40.800 0.072 0.000 0.967 713 D HN 0.406 nan 8.370 nan 0.000 0.464 714 L N 0.316 121.517 121.223 -0.037 0.000 2.362 714 L HA -0.083 4.256 4.340 -0.001 0.000 0.219 714 L C 2.419 179.190 176.870 -0.164 0.000 1.134 714 L CA 0.841 55.635 54.840 -0.076 0.000 0.807 714 L CB -0.081 41.945 42.059 -0.056 0.000 0.927 714 L HN -0.056 nan 8.230 nan 0.000 0.447 715 R N -1.139 119.193 120.500 -0.280 0.000 2.142 715 R HA 0.101 4.441 4.340 -0.001 0.000 0.204 715 R C 1.236 177.095 176.300 -0.735 0.000 1.059 715 R CA 0.651 56.402 56.100 -0.582 0.000 1.055 715 R CB 0.137 29.900 30.300 -0.894 0.000 0.976 715 R HN 0.182 nan 8.270 nan 0.000 0.483 716 F N 0.003 119.820 119.950 -0.223 0.000 2.654 716 F HA 0.486 5.012 4.527 -0.001 0.000 0.303 716 F C 0.364 176.073 175.800 -0.151 0.000 1.099 716 F CA -0.552 57.317 58.000 -0.219 0.000 1.270 716 F CB 1.089 39.867 39.000 -0.370 0.000 1.024 716 F HN -0.057 nan 8.300 nan 0.000 0.548 717 A N -0.598 122.218 122.820 -0.007 0.000 2.602 717 A HA 0.500 4.820 4.320 -0.001 0.000 0.290 717 A C -1.794 175.785 177.584 -0.009 0.000 1.114 717 A CA -0.682 51.362 52.037 0.011 0.000 0.683 717 A CB 1.263 20.284 19.000 0.033 0.000 1.281 717 A HN -0.040 nan 8.150 nan 0.000 0.416 718 D N 0.817 121.218 120.400 0.002 0.000 2.280 718 D HA 0.443 5.083 4.640 -0.001 0.000 0.236 718 D C 0.815 177.116 176.300 0.003 0.000 1.082 718 D CA -0.251 53.747 54.000 -0.004 0.000 0.834 718 D CB 1.053 41.851 40.800 -0.002 0.000 1.100 718 D HN 0.520 nan 8.370 nan 0.000 0.486 719 I N -0.035 120.534 120.570 -0.001 0.000 3.462 719 I HA 0.242 4.411 4.170 -0.001 0.000 0.290 719 I C -0.236 175.883 176.117 0.003 0.000 1.236 719 I CA -0.053 61.250 61.300 0.005 0.000 1.418 719 I CB 0.417 38.420 38.000 0.004 0.000 1.102 719 I HN -0.029 nan 8.210 nan 0.000 0.441 720 D N 2.881 123.280 120.400 -0.002 0.000 2.485 720 D HA 0.395 5.035 4.640 -0.001 0.000 0.256 720 D C -0.712 175.587 176.300 -0.002 0.000 1.141 720 D CA 0.210 54.209 54.000 -0.002 0.000 0.942 720 D CB 1.317 42.114 40.800 -0.005 0.000 1.003 720 D HN 0.125 nan 8.370 nan 0.000 0.507 721 T N 0.054 114.608 114.554 0.000 0.000 4.128 721 T HA 0.149 4.499 4.350 -0.001 0.000 0.376 721 T C -0.551 174.150 174.700 0.002 0.000 1.109 721 T CA -0.514 61.586 62.100 -0.000 0.000 1.087 721 T CB 1.493 70.361 68.868 -0.000 0.000 1.190 721 T HN -0.107 nan 8.240 nan 0.000 0.473 722 V N 4.945 124.859 119.914 0.001 0.000 2.459 722 V HA 0.667 4.786 4.120 -0.001 0.000 0.295 722 V C 0.041 176.136 176.094 0.001 0.000 1.029 722 V CA -0.737 61.564 62.300 0.001 0.000 0.874 722 V CB 1.540 33.363 31.823 0.001 0.000 0.985 722 V HN 0.775 nan 8.190 nan 0.000 0.438 723 I N 0.000 120.571 120.570 0.001 0.000 2.984 723 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 723 I CA 0.000 61.300 61.300 -0.000 0.000 1.566 723 I CB 0.000 38.000 38.000 0.000 0.000 1.214 723 I HN 0.000 nan 8.210 nan 0.000 0.494