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 2gbf_1_B DATA FIRST_RESID 38 DATA SEQUENCE RRTYTLADYL KNTFRVKSYS LRWVSDSEYL YKQENNILLF NAEHGNSSIF DATA SEQUENCE LENSTFEIFG DSISDYSVSP DRLFVLLEYN YVKQWRHSYT ASYSIYDLNK DATA SEQUENCE RQLITEEKIP NNTQWITWSQ EGHKLAYVWK NDIYVKIEPH LPSHRITSTG DATA SEQUENCE KENVIFNGIN DWVYEEEIFG AYSALWWSPN GTFLAYAQFN DTGVPLIEYS DATA SEQUENCE FYSDESLQYP KTVWIPYPKA GAVNPTVKFF IVNTDSLSST TTTIPMQITA DATA SEQUENCE PASVTTGDHY LCDVAWVSED RISLQWLRRI QNYSVMAIcD YDKTTLVWNc DATA SEQUENCE PTTQEHIETS ATGWCGRFRP AEPHFTSDGS SFYKIVSDKD GYKHIcQFQK DATA SEQUENCE DRKPEQVcTF ITKGAWEVIS IEALTSDYLY YISNEYKEMP GGRNLYKIQL DATA SEQUENCE TDHTNKKCLS CDLNPERcQY YSVSLSKEAK YYQLGcRGPG LPLYTLHRST DATA SEQUENCE DQKELRVLED NSALDKMLQD VQMPSKKLDF IVLNETRFWY QMILPPHFDK DATA SEQUENCE SKKYPLLIDV YAGPCSQKAD AAFRLNWATY LASTENIIVA SFDGRGSGYQ DATA SEQUENCE GDKIMHAINK RLGTLEVEDQ IEAARQFLKM GFVDSKRVAI WGWSYGGYVT DATA SEQUENCE SMVLGSGSGV FKcGIAVAPV SRWEYYDSVY TERYMGLPTP EDNLDHYRNS DATA SEQUENCE TVMSRAENFK QVEYLLIHGT ADDNVHFQQS AQISKALVDA GVDFQAMWYT DATA SEQUENCE DEDHGIASST AHQHIYSHMS HFLQQcFSLR 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.355 176.300 0.092 0.000 0.893 38 R CA 0.000 56.154 56.100 0.090 0.000 0.921 38 R CB 0.000 30.350 30.300 0.084 0.000 0.687 39 R N -0.042 120.516 120.500 0.097 0.000 2.486 39 R HA 0.957 5.297 4.340 0.000 0.000 0.286 39 R C 0.769 177.140 176.300 0.118 0.000 0.999 39 R CA 0.464 56.631 56.100 0.113 0.000 0.993 39 R CB 0.466 30.848 30.300 0.136 0.000 1.084 39 R HN 1.545 nan 8.270 nan 0.000 0.487 40 T N -0.603 114.029 114.554 0.130 0.000 2.897 40 T HA 0.513 4.863 4.350 0.000 0.000 0.278 40 T C -0.439 174.399 174.700 0.230 0.000 0.981 40 T CA -0.418 61.765 62.100 0.139 0.000 0.973 40 T CB 0.505 69.438 68.868 0.108 0.000 1.092 40 T HN 0.705 nan 8.240 nan 0.000 0.543 41 Y N 2.107 122.464 120.300 0.096 0.000 2.595 41 Y HA 0.503 5.053 4.550 0.000 0.000 0.347 41 Y C 1.046 177.122 175.900 0.293 0.000 1.025 41 Y CA -0.802 57.402 58.100 0.172 0.000 1.295 41 Y CB -0.556 37.962 38.460 0.096 0.000 1.147 41 Y HN 0.963 nan 8.280 nan 0.000 0.515 42 T N 2.948 117.547 114.554 0.076 0.000 2.795 42 T HA 0.328 4.679 4.350 0.000 0.000 0.314 42 T C 1.560 176.231 174.700 -0.048 0.000 1.069 42 T CA 0.274 62.441 62.100 0.111 0.000 1.071 42 T CB 0.273 69.172 68.868 0.052 0.000 0.988 42 T HN 0.950 nan 8.240 nan 0.000 0.543 43 L N 0.595 121.662 121.223 -0.260 0.000 2.291 43 L HA 0.439 4.780 4.340 0.000 0.000 0.214 43 L C 3.057 179.766 176.870 -0.268 0.000 1.120 43 L CA 2.295 56.678 54.840 -0.760 0.000 0.799 43 L CB -1.929 39.509 42.059 -1.035 0.000 0.925 43 L HN 1.116 nan 8.230 nan 0.000 0.446 44 A N -0.945 121.775 122.820 -0.166 0.000 1.929 44 A HA -0.165 4.155 4.320 0.000 0.000 0.216 44 A C 2.131 179.646 177.584 -0.115 0.000 1.176 44 A CA 1.226 53.198 52.037 -0.108 0.000 0.628 44 A CB -0.612 18.350 19.000 -0.063 0.000 0.816 44 A HN 0.607 nan 8.150 nan 0.000 0.444 45 D N -1.462 118.843 120.400 -0.158 0.000 2.149 45 D HA -0.178 4.462 4.640 0.000 0.000 0.198 45 D C 1.611 177.851 176.300 -0.101 0.000 0.990 45 D CA 1.675 55.580 54.000 -0.158 0.000 0.839 45 D CB -0.259 40.370 40.800 -0.286 0.000 0.948 45 D HN 0.629 nan 8.370 nan 0.000 0.460 46 Y N 1.341 121.452 120.300 -0.316 0.000 2.153 46 Y HA -0.041 4.509 4.550 0.000 0.000 0.289 46 Y C 2.270 178.146 175.900 -0.040 0.000 1.119 46 Y CA 1.070 59.115 58.100 -0.091 0.000 1.116 46 Y CB -0.599 37.807 38.460 -0.091 0.000 1.004 46 Y HN -0.154 nan 8.280 nan 0.000 0.501 47 L N 0.228 121.301 121.223 -0.249 0.000 2.131 47 L HA -0.199 4.141 4.340 0.000 0.000 0.210 47 L C 1.891 178.650 176.870 -0.184 0.000 1.092 47 L CA 1.409 56.070 54.840 -0.298 0.000 0.759 47 L CB -0.438 41.524 42.059 -0.161 0.000 0.903 47 L HN 0.153 nan 8.230 nan 0.000 0.435 48 K N -0.201 120.121 120.400 -0.130 0.000 2.374 48 K HA 0.038 4.358 4.320 0.000 0.000 0.196 48 K C 0.207 176.756 176.600 -0.084 0.000 1.023 48 K CA -0.082 56.149 56.287 -0.092 0.000 1.103 48 K CB -0.274 32.178 32.500 -0.079 0.000 0.848 48 K HN 0.164 nan 8.250 nan 0.000 0.528 49 N N 1.256 119.907 118.700 -0.081 0.000 2.708 49 N HA -0.164 4.576 4.740 0.000 0.000 0.255 49 N C 0.172 175.666 175.510 -0.026 0.000 1.046 49 N CA 0.861 53.901 53.050 -0.017 0.000 0.715 49 N CB -1.281 37.187 38.487 -0.032 0.000 0.895 49 N HN 0.077 nan 8.380 nan 0.000 0.545 50 T N -0.310 114.198 114.554 -0.077 0.000 2.746 50 T HA -0.069 4.281 4.350 0.000 0.000 0.267 50 T C 0.493 174.943 174.700 -0.417 0.000 1.039 50 T CA 1.350 63.257 62.100 -0.321 0.000 1.142 50 T CB -0.189 68.342 68.868 -0.562 0.000 0.866 50 T HN 0.397 nan 8.240 nan 0.000 0.444 51 F N 2.345 122.399 119.950 0.174 0.000 2.293 51 F HA 0.391 4.918 4.527 0.000 0.000 0.370 51 F C 0.572 176.462 175.800 0.150 0.000 1.090 51 F CA -1.298 56.805 58.000 0.171 0.000 1.133 51 F CB 0.371 39.505 39.000 0.224 0.000 1.360 51 F HN -0.126 nan 8.300 nan 0.000 0.489 52 R N 2.540 123.169 120.500 0.215 0.000 2.442 52 R HA 0.429 4.769 4.340 0.000 0.000 0.291 52 R C -1.300 175.118 176.300 0.196 0.000 1.069 52 R CA -0.218 55.981 56.100 0.165 0.000 1.022 52 R CB 0.797 31.155 30.300 0.097 0.000 0.976 52 R HN 0.431 nan 8.270 nan 0.000 0.443 53 V N 6.034 126.064 119.914 0.193 0.000 2.328 53 V HA 0.223 4.343 4.120 0.000 0.000 0.278 53 V C 0.116 176.312 176.094 0.169 0.000 1.021 53 V CA -0.591 61.838 62.300 0.215 0.000 0.838 53 V CB 1.209 33.199 31.823 0.278 0.000 0.999 53 V HN 0.821 nan 8.190 nan 0.000 0.447 54 K N 2.785 123.277 120.400 0.153 0.000 2.117 54 K HA 0.723 5.043 4.320 0.000 0.000 0.240 54 K C 0.274 176.938 176.600 0.107 0.000 1.031 54 K CA -0.310 56.045 56.287 0.112 0.000 0.909 54 K CB 1.247 33.807 32.500 0.101 0.000 1.097 54 K HN 0.839 nan 8.250 nan 0.000 0.492 55 S N -0.651 115.009 115.700 -0.067 0.000 2.790 55 S HA 0.367 4.837 4.470 0.000 0.000 0.292 55 S C -1.820 172.475 174.600 -0.509 0.000 1.197 55 S CA -0.883 56.992 58.200 -0.542 0.000 0.851 55 S CB 0.740 63.745 63.200 -0.324 0.000 1.217 55 S HN 0.596 nan 8.310 nan 0.000 0.526 56 Y N 1.180 120.873 120.300 -1.011 0.000 2.535 56 Y HA 0.554 5.104 4.550 0.000 0.000 0.341 56 Y C -0.850 174.890 175.900 -0.267 0.000 1.041 56 Y CA -0.422 57.415 58.100 -0.439 0.000 1.307 56 Y CB 1.481 39.664 38.460 -0.463 0.000 1.095 56 Y HN 0.742 nan 8.280 nan 0.000 0.534 57 S N 6.679 122.249 115.700 -0.215 0.000 2.415 57 S HA 0.445 4.915 4.470 0.000 0.000 0.313 57 S C -0.549 173.924 174.600 -0.212 0.000 1.067 57 S CA -0.640 57.461 58.200 -0.164 0.000 1.099 57 S CB -0.427 62.709 63.200 -0.107 0.000 0.991 57 S HN 0.546 nan 8.310 nan 0.000 0.491 58 L N 1.235 122.274 121.223 -0.307 0.000 2.400 58 L HA 0.730 5.071 4.340 0.000 0.000 0.264 58 L C 0.110 176.812 176.870 -0.280 0.000 1.061 58 L CA -0.743 53.849 54.840 -0.412 0.000 0.799 58 L CB 0.345 41.789 42.059 -1.024 0.000 1.240 58 L HN 0.302 nan 8.230 nan 0.000 0.461 59 R N 0.484 120.879 120.500 -0.175 0.000 2.472 59 R HA 0.276 4.616 4.340 0.000 0.000 0.294 59 R C -1.650 174.686 176.300 0.060 0.000 1.243 59 R CA -0.288 55.792 56.100 -0.034 0.000 1.023 59 R CB 0.771 31.103 30.300 0.053 0.000 1.157 59 R HN 0.673 nan 8.270 nan 0.000 0.530 60 W N 2.632 124.019 121.300 0.146 0.000 2.443 60 W HA -0.057 4.603 4.660 0.000 0.000 0.335 60 W C 1.117 177.712 176.519 0.127 0.000 1.382 60 W CA -0.309 57.139 57.345 0.171 0.000 1.305 60 W CB 0.507 30.054 29.460 0.145 0.000 1.283 60 W HN 0.350 nan 8.180 nan 0.000 0.567 61 V N 2.665 122.813 119.914 0.391 0.000 3.644 61 V HA 0.023 4.143 4.120 0.000 0.000 0.267 61 V C 0.818 177.029 176.094 0.195 0.000 1.277 61 V CA 1.107 63.530 62.300 0.206 0.000 1.096 61 V CB -0.407 31.466 31.823 0.084 0.000 0.828 61 V HN 0.605 nan 8.190 nan 0.000 0.446 62 S N -1.426 114.430 115.700 0.260 0.000 2.815 62 S HA 0.274 4.744 4.470 0.000 0.000 0.296 62 S C 0.049 174.733 174.600 0.139 0.000 1.224 62 S CA 0.115 58.418 58.200 0.171 0.000 0.938 62 S CB 1.375 64.658 63.200 0.138 0.000 1.285 62 S HN 0.014 nan 8.310 nan 0.000 0.549 63 D N 0.406 120.859 120.400 0.087 0.000 2.340 63 D HA 0.234 4.874 4.640 0.000 0.000 0.220 63 D C 1.210 177.589 176.300 0.130 0.000 1.039 63 D CA 1.133 55.150 54.000 0.028 0.000 0.866 63 D CB 0.089 40.911 40.800 0.036 0.000 0.913 63 D HN 0.527 nan 8.370 nan 0.000 0.523 64 S N -2.289 113.525 115.700 0.189 0.000 2.733 64 S HA 0.278 4.748 4.470 0.000 0.000 0.270 64 S C 0.389 175.100 174.600 0.186 0.000 1.062 64 S CA -0.668 57.657 58.200 0.208 0.000 1.256 64 S CB 0.904 64.232 63.200 0.214 0.000 1.187 64 S HN 0.026 nan 8.310 nan 0.000 0.666 65 E N 0.498 120.875 120.200 0.296 0.000 2.369 65 E HA 0.668 5.018 4.350 0.000 0.000 0.270 65 E C -1.659 175.176 176.600 0.393 0.000 0.909 65 E CA -1.064 55.465 56.400 0.216 0.000 0.775 65 E CB 2.183 31.936 29.700 0.087 0.000 1.270 65 E HN 0.435 nan 8.360 nan 0.000 0.445 66 Y N -0.916 119.480 120.300 0.160 0.000 2.655 66 Y HA 0.651 5.201 4.550 0.000 0.000 0.336 66 Y C -1.779 174.136 175.900 0.024 0.000 1.154 66 Y CA -1.296 56.805 58.100 0.002 0.000 1.055 66 Y CB 0.748 38.926 38.460 -0.470 0.000 1.295 66 Y HN 0.363 nan 8.280 nan 0.000 0.465 67 L N 2.178 123.578 121.223 0.295 0.000 2.334 67 L HA 0.573 4.913 4.340 0.000 0.000 0.272 67 L C -1.430 175.664 176.870 0.375 0.000 1.020 67 L CA -1.047 53.933 54.840 0.233 0.000 0.812 67 L CB 1.872 43.974 42.059 0.073 0.000 1.264 67 L HN 0.792 nan 8.230 nan 0.000 0.439 68 Y N 1.929 122.336 120.300 0.179 0.000 2.442 68 Y HA 0.284 4.834 4.550 0.000 0.000 0.330 68 Y C -0.778 175.136 175.900 0.024 0.000 1.100 68 Y CA -1.225 56.869 58.100 -0.010 0.000 1.034 68 Y CB 1.529 39.864 38.460 -0.208 0.000 1.285 68 Y HN 0.434 nan 8.280 nan 0.000 0.440 69 K N 4.965 124.906 120.400 -0.766 0.000 2.312 69 K HA 0.315 4.635 4.320 0.000 0.000 0.287 69 K C -1.044 175.130 176.600 -0.709 0.000 1.062 69 K CA -0.261 55.687 56.287 -0.566 0.000 0.934 69 K CB 0.656 32.922 32.500 -0.389 0.000 1.027 69 K HN 0.818 nan 8.250 nan 0.000 0.478 70 Q N 4.284 123.913 119.800 -0.284 0.000 2.275 70 Q HA 0.094 4.434 4.340 0.000 0.000 0.266 70 Q C -1.256 174.692 176.000 -0.087 0.000 1.002 70 Q CA -0.311 55.438 55.803 -0.090 0.000 0.761 70 Q CB 1.145 29.992 28.738 0.181 0.000 1.255 70 Q HN 0.780 nan 8.270 nan 0.000 0.446 71 E N 3.230 123.379 120.200 -0.085 0.000 2.210 71 E HA -0.353 3.998 4.350 0.000 0.000 0.201 71 E C -0.673 175.842 176.600 -0.141 0.000 1.339 71 E CA 0.427 56.778 56.400 -0.082 0.000 0.699 71 E CB -1.232 28.442 29.700 -0.043 0.000 1.126 71 E HN 0.847 nan 8.360 nan 0.000 0.355 72 N N 0.595 119.177 118.700 -0.197 0.000 2.716 72 N HA -0.183 4.557 4.740 0.000 0.000 0.250 72 N C -1.051 174.203 175.510 -0.426 0.000 1.033 72 N CA 1.088 53.952 53.050 -0.310 0.000 0.727 72 N CB -0.670 37.680 38.487 -0.228 0.000 0.950 72 N HN 0.473 nan 8.380 nan 0.000 0.541 73 N N 0.611 119.096 118.700 -0.358 0.000 2.397 73 N HA 0.286 5.026 4.740 0.000 0.000 0.291 73 N C -0.493 174.862 175.510 -0.259 0.000 1.065 73 N CA -0.536 52.326 53.050 -0.313 0.000 0.884 73 N CB 1.397 39.784 38.487 -0.166 0.000 1.551 73 N HN -0.038 nan 8.380 nan 0.000 0.487 74 I N 3.434 123.848 120.570 -0.260 0.000 2.325 74 I HA 0.357 4.527 4.170 0.000 0.000 0.291 74 I C 0.320 176.480 176.117 0.071 0.000 1.019 74 I CA -0.229 61.003 61.300 -0.114 0.000 1.302 74 I CB 0.251 38.173 38.000 -0.130 0.000 1.401 74 I HN 0.280 nan 8.210 nan 0.000 0.485 75 L N 6.215 127.530 121.223 0.153 0.000 2.334 75 L HA 0.499 4.839 4.340 0.000 0.000 0.273 75 L C -0.439 176.531 176.870 0.166 0.000 1.013 75 L CA -1.043 53.883 54.840 0.143 0.000 0.816 75 L CB 2.215 44.359 42.059 0.141 0.000 1.278 75 L HN 0.320 nan 8.230 nan 0.000 0.431 76 L N 2.317 123.526 121.223 -0.024 0.000 2.275 76 L HA 0.541 4.881 4.340 0.000 0.000 0.288 76 L C -1.071 175.628 176.870 -0.285 0.000 1.046 76 L CA 0.333 55.131 54.840 -0.069 0.000 0.805 76 L CB 0.590 42.631 42.059 -0.030 0.000 1.193 76 L HN 0.193 nan 8.230 nan 0.000 0.426 77 F N 3.497 123.176 119.950 -0.452 0.000 2.492 77 F HA 0.432 4.959 4.527 0.000 0.000 0.327 77 F C 0.529 176.007 175.800 -0.536 0.000 1.079 77 F CA -0.651 56.990 58.000 -0.598 0.000 0.967 77 F CB 1.375 39.714 39.000 -1.101 0.000 1.169 77 F HN 0.506 nan 8.300 nan 0.000 0.472 78 N N 2.151 120.760 118.700 -0.152 0.000 2.527 78 N HA 0.369 5.109 4.740 0.000 0.000 0.236 78 N C -0.954 174.493 175.510 -0.105 0.000 0.999 78 N CA -0.189 52.807 53.050 -0.090 0.000 0.935 78 N CB 1.232 39.710 38.487 -0.014 0.000 1.132 78 N HN 0.740 nan 8.380 nan 0.000 0.511 79 A N 3.109 125.834 122.820 -0.159 0.000 2.484 79 A HA 0.268 4.588 4.320 0.000 0.000 0.268 79 A C 0.814 178.075 177.584 -0.538 0.000 1.114 79 A CA 0.255 52.110 52.037 -0.303 0.000 0.780 79 A CB 0.044 18.786 19.000 -0.430 0.000 1.061 79 A HN 0.933 nan 8.150 nan 0.000 0.505 80 E N 0.793 120.819 120.200 -0.291 0.000 2.406 80 E HA -0.109 4.241 4.350 0.000 0.000 0.220 80 E C -0.636 175.727 176.600 -0.394 0.000 0.878 80 E CA 0.674 56.888 56.400 -0.309 0.000 2.308 80 E CB -0.639 28.841 29.700 -0.366 0.000 3.082 80 E HN 0.795 nan 8.360 nan 0.000 0.902 81 H N 0.341 119.415 119.070 0.006 0.000 2.481 81 H HA 0.523 5.079 4.556 0.000 0.000 0.333 81 H C 1.120 176.451 175.328 0.005 0.000 1.066 81 H CA 0.058 56.110 56.048 0.008 0.000 1.209 81 H CB 1.487 31.252 29.762 0.004 0.000 1.445 81 H HN 0.490 nan 8.280 nan 0.000 0.488 82 G N 3.045 111.913 108.800 0.113 0.000 2.790 82 G HA2 -0.346 3.614 3.960 0.000 0.000 0.220 82 G HA3 -0.346 3.614 3.960 0.000 0.000 0.220 82 G C 0.838 175.777 174.900 0.066 0.000 1.095 82 G CA 0.465 45.633 45.100 0.113 0.000 0.713 82 G HN 0.697 nan 8.290 nan 0.000 0.603 83 N N 0.360 119.088 118.700 0.046 0.000 1.792 83 N HA -0.007 4.734 4.740 0.000 0.000 0.321 83 N C 0.799 176.215 175.510 -0.157 0.000 1.314 83 N CA 0.757 53.789 53.050 -0.030 0.000 0.814 83 N CB 0.294 38.790 38.487 0.015 0.000 1.073 83 N HN 0.401 nan 8.380 nan 0.000 0.503 84 S N 2.012 117.555 115.700 -0.262 0.000 2.694 84 S HA 0.811 5.281 4.470 0.000 0.000 0.286 84 S C -0.319 174.068 174.600 -0.354 0.000 1.080 84 S CA -0.122 57.746 58.200 -0.553 0.000 0.953 84 S CB 1.652 64.366 63.200 -0.810 0.000 1.313 84 S HN 0.820 nan 8.310 nan 0.000 0.555 85 S N -0.900 114.576 115.700 -0.373 0.000 2.804 85 S HA 0.213 4.683 4.470 0.000 0.000 0.296 85 S C -1.460 173.066 174.600 -0.122 0.000 0.865 85 S CA -0.831 57.258 58.200 -0.185 0.000 0.809 85 S CB -0.492 62.639 63.200 -0.115 0.000 1.011 85 S HN 0.769 nan 8.310 nan 0.000 0.495 86 I N 4.907 125.435 120.570 -0.069 0.000 2.588 86 I HA 0.216 4.386 4.170 0.000 0.000 0.283 86 I C 0.769 176.916 176.117 0.050 0.000 1.119 86 I CA 0.155 61.441 61.300 -0.025 0.000 1.419 86 I CB 0.657 38.627 38.000 -0.050 0.000 1.394 86 I HN 0.791 nan 8.210 nan 0.000 0.562 87 F N 7.012 126.920 119.950 -0.071 0.000 2.557 87 F HA 0.419 4.946 4.527 0.000 0.000 0.278 87 F C 0.124 175.903 175.800 -0.034 0.000 1.051 87 F CA 0.232 58.210 58.000 -0.037 0.000 1.357 87 F CB 0.596 39.591 39.000 -0.008 0.000 1.104 87 F HN 0.134 nan 8.300 nan 0.000 0.654 88 L N 1.125 122.336 121.223 -0.019 0.000 2.482 88 L HA 0.327 4.667 4.340 0.000 0.000 0.263 88 L C -0.766 176.000 176.870 -0.174 0.000 0.957 88 L CA -0.814 53.950 54.840 -0.128 0.000 0.836 88 L CB 2.438 44.461 42.059 -0.061 0.000 1.324 88 L HN -0.097 nan 8.230 nan 0.000 0.406 89 E N 1.321 121.415 120.200 -0.177 0.000 2.312 89 E HA 0.134 4.484 4.350 0.000 0.000 0.259 89 E C 0.137 176.598 176.600 -0.231 0.000 1.122 89 E CA -0.619 55.677 56.400 -0.174 0.000 0.922 89 E CB 0.977 30.605 29.700 -0.119 0.000 1.109 89 E HN 0.484 nan 8.360 nan 0.000 0.442 90 N N 0.697 119.285 118.700 -0.187 0.000 2.184 90 N HA -0.151 4.589 4.740 0.000 0.000 0.190 90 N C 1.105 176.530 175.510 -0.142 0.000 1.011 90 N CA 0.822 53.763 53.050 -0.180 0.000 0.867 90 N CB -0.047 38.373 38.487 -0.112 0.000 0.993 90 N HN 0.275 nan 8.380 nan 0.000 0.433 91 S N -1.231 114.403 115.700 -0.110 0.000 2.536 91 S HA 0.029 4.499 4.470 0.000 0.000 0.248 91 S C 1.138 175.712 174.600 -0.045 0.000 1.287 91 S CA 1.429 59.587 58.200 -0.070 0.000 0.978 91 S CB 0.004 63.163 63.200 -0.069 0.000 0.992 91 S HN 0.530 nan 8.310 nan 0.000 0.539 92 T N 0.467 114.981 114.554 -0.067 0.000 12.996 92 T HA -0.297 4.053 4.350 0.000 0.000 0.419 92 T C 1.082 175.794 174.700 0.021 0.000 1.441 92 T CA 2.196 64.230 62.100 -0.110 0.000 2.368 92 T CB -1.951 66.793 68.868 -0.208 0.000 2.821 92 T HN 0.507 nan 8.240 nan 0.000 0.685 93 F N 3.014 122.853 119.950 -0.186 0.000 2.147 93 F HA -0.133 4.394 4.527 0.000 0.000 0.301 93 F C 2.613 178.347 175.800 -0.111 0.000 1.084 93 F CA 1.866 59.788 58.000 -0.131 0.000 1.268 93 F CB -0.555 38.377 39.000 -0.113 0.000 1.009 93 F HN 0.586 nan 8.300 nan 0.000 0.486 94 E N 1.078 121.330 120.200 0.087 0.000 2.338 94 E HA -0.175 4.175 4.350 0.000 0.000 0.197 94 E C 2.036 178.614 176.600 -0.038 0.000 1.007 94 E CA 1.051 57.459 56.400 0.013 0.000 0.849 94 E CB -0.951 28.749 29.700 -0.001 0.000 0.774 94 E HN 0.473 nan 8.360 nan 0.000 0.506 95 I N 1.181 121.716 120.570 -0.057 0.000 2.099 95 I HA -0.250 3.920 4.170 0.000 0.000 0.239 95 I C 2.463 178.499 176.117 -0.135 0.000 1.066 95 I CA 2.024 63.274 61.300 -0.083 0.000 1.324 95 I CB -0.925 37.026 38.000 -0.082 0.000 1.037 95 I HN 0.114 nan 8.210 nan 0.000 0.401 96 F N 2.798 122.625 119.950 -0.205 0.000 2.727 96 F HA 0.550 5.077 4.527 0.000 0.000 0.349 96 F C 1.467 177.132 175.800 -0.226 0.000 1.172 96 F CA -0.248 57.547 58.000 -0.341 0.000 1.355 96 F CB -1.931 36.721 39.000 -0.581 0.000 1.546 96 F HN 0.343 nan 8.300 nan 0.000 0.596 97 G N 1.005 109.724 108.800 -0.136 0.000 2.602 97 G HA2 -0.373 3.587 3.960 0.000 0.000 0.306 97 G HA3 -0.373 3.587 3.960 0.000 0.000 0.306 97 G C 0.623 175.495 174.900 -0.047 0.000 1.301 97 G CA 0.544 45.597 45.100 -0.077 0.000 0.974 97 G HN 1.173 nan 8.290 nan 0.000 0.547 98 D N -0.347 120.038 120.400 -0.025 0.000 2.440 98 D HA 0.158 4.798 4.640 0.000 0.000 0.216 98 D C 1.725 178.027 176.300 0.004 0.000 1.150 98 D CA 0.924 54.922 54.000 -0.002 0.000 0.832 98 D CB -0.130 40.670 40.800 -0.000 0.000 0.992 98 D HN 0.669 nan 8.370 nan 0.000 0.502 99 S N 0.090 115.788 115.700 -0.002 0.000 2.634 99 S HA 0.137 4.607 4.470 0.000 0.000 0.221 99 S C 0.933 175.568 174.600 0.059 0.000 0.952 99 S CA -0.518 57.703 58.200 0.036 0.000 0.930 99 S CB -0.260 62.982 63.200 0.070 0.000 0.780 99 S HN 0.119 nan 8.310 nan 0.000 0.498 100 I N 3.638 124.215 120.570 0.011 0.000 2.453 100 I HA 0.097 4.267 4.170 0.000 0.000 0.300 100 I C 1.687 177.813 176.117 0.014 0.000 1.159 100 I CA 0.080 61.372 61.300 -0.015 0.000 1.379 100 I CB -0.296 37.624 38.000 -0.134 0.000 1.460 100 I HN 0.384 nan 8.210 nan 0.000 0.601 101 S N 4.167 119.881 115.700 0.024 0.000 2.368 101 S HA -0.112 4.358 4.470 0.000 0.000 0.225 101 S C 0.709 175.323 174.600 0.023 0.000 1.030 101 S CA 1.411 59.605 58.200 -0.010 0.000 0.999 101 S CB 0.226 63.434 63.200 0.014 0.000 0.844 101 S HN 0.796 nan 8.310 nan 0.000 0.459 102 D N -2.317 118.122 120.400 0.065 0.000 2.792 102 D HA 0.355 4.995 4.640 0.000 0.000 0.335 102 D C -1.782 174.628 176.300 0.184 0.000 1.353 102 D CA -0.460 53.625 54.000 0.142 0.000 0.839 102 D CB 0.793 41.655 40.800 0.103 0.000 1.396 102 D HN 0.283 nan 8.370 nan 0.000 0.479 103 Y N -1.253 119.116 120.300 0.115 0.000 2.571 103 Y HA 0.734 5.284 4.550 0.000 0.000 0.341 103 Y C -1.476 174.559 175.900 0.224 0.000 1.076 103 Y CA -0.853 57.332 58.100 0.141 0.000 1.029 103 Y CB 1.863 40.431 38.460 0.180 0.000 1.308 103 Y HN 0.180 nan 8.280 nan 0.000 0.461 104 S N 2.588 118.431 115.700 0.239 0.000 2.736 104 S HA 0.592 5.062 4.470 0.000 0.000 0.285 104 S C -1.742 173.176 174.600 0.529 0.000 1.163 104 S CA -0.608 57.735 58.200 0.239 0.000 1.025 104 S CB 0.801 64.144 63.200 0.237 0.000 1.030 104 S HN 0.714 nan 8.310 nan 0.000 0.486 105 V N 5.328 125.475 119.914 0.389 0.000 2.432 105 V HA 0.373 4.493 4.120 0.000 0.000 0.271 105 V C 0.896 176.925 176.094 -0.107 0.000 1.046 105 V CA -0.608 61.869 62.300 0.294 0.000 0.945 105 V CB 0.900 32.900 31.823 0.295 0.000 0.992 105 V HN 1.003 nan 8.190 nan 0.000 0.471 106 S N 7.063 122.366 115.700 -0.662 0.000 2.559 106 S HA 0.090 4.560 4.470 0.000 0.000 0.282 106 S C -1.055 173.242 174.600 -0.505 0.000 1.336 106 S CA -0.457 56.858 58.200 -1.475 0.000 1.037 106 S CB 0.457 62.676 63.200 -1.635 0.000 0.853 106 S HN 0.668 nan 8.310 nan 0.000 0.523 107 P HA -0.125 nan 4.420 nan 0.000 0.218 107 P C 0.666 177.926 177.300 -0.066 0.000 1.149 107 P CA 1.384 64.415 63.100 -0.116 0.000 0.817 107 P CB -0.299 31.366 31.700 -0.058 0.000 0.785 108 D N -0.108 120.248 120.400 -0.074 0.000 2.344 108 D HA -0.068 4.572 4.640 0.000 0.000 0.242 108 D C 0.400 176.696 176.300 -0.007 0.000 1.159 108 D CA -0.308 53.690 54.000 -0.004 0.000 0.859 108 D CB -0.854 39.986 40.800 0.067 0.000 0.925 108 D HN 0.095 nan 8.370 nan 0.000 0.510 109 R N -0.512 119.984 120.500 -0.007 0.000 3.701 109 R HA -0.205 4.136 4.340 0.000 0.000 0.276 109 R C 0.850 177.176 176.300 0.044 0.000 1.150 109 R CA 0.536 56.699 56.100 0.105 0.000 0.763 109 R CB -2.088 28.322 30.300 0.184 0.000 1.147 109 R HN 0.366 nan 8.270 nan 0.000 0.489 110 L N -1.193 119.962 121.223 -0.113 0.000 2.354 110 L HA 0.196 4.536 4.340 0.000 0.000 0.212 110 L C 0.508 176.944 176.870 -0.724 0.000 1.091 110 L CA 0.783 55.370 54.840 -0.422 0.000 0.828 110 L CB 0.182 41.924 42.059 -0.528 0.000 0.973 110 L HN -0.008 nan 8.230 nan 0.000 0.461 111 F N -1.903 117.975 119.950 -0.120 0.000 2.620 111 F HA 0.588 5.115 4.527 0.000 0.000 0.320 111 F C -0.396 175.504 175.800 0.166 0.000 1.069 111 F CA -1.104 56.905 58.000 0.014 0.000 0.953 111 F CB 1.621 40.671 39.000 0.084 0.000 1.322 111 F HN -0.568 nan 8.300 nan 0.000 0.479 112 V N 2.438 122.697 119.914 0.574 0.000 2.638 112 V HA 0.383 4.503 4.120 0.000 0.000 0.306 112 V C -0.593 175.847 176.094 0.576 0.000 1.052 112 V CA -0.798 61.855 62.300 0.587 0.000 0.885 112 V CB 2.127 34.265 31.823 0.526 0.000 0.999 112 V HN 0.561 nan 8.190 nan 0.000 0.424 113 L N 5.188 126.755 121.223 0.573 0.000 2.305 113 L HA 0.497 4.837 4.340 0.000 0.000 0.281 113 L C -0.707 176.349 176.870 0.311 0.000 1.085 113 L CA -0.274 54.783 54.840 0.362 0.000 0.813 113 L CB 1.014 43.191 42.059 0.197 0.000 1.157 113 L HN 0.469 nan 8.230 nan 0.000 0.436 114 L N 4.452 125.827 121.223 0.253 0.000 2.318 114 L HA 0.389 4.729 4.340 0.000 0.000 0.277 114 L C -0.051 176.904 176.870 0.142 0.000 1.008 114 L CA -0.380 54.538 54.840 0.129 0.000 0.846 114 L CB 1.602 43.679 42.059 0.029 0.000 1.220 114 L HN 0.583 nan 8.230 nan 0.000 0.423 115 E N 4.213 124.440 120.200 0.046 0.000 2.283 115 E HA 0.441 4.791 4.350 0.000 0.000 0.278 115 E C -1.558 174.990 176.600 -0.086 0.000 1.027 115 E CA -0.351 55.899 56.400 -0.249 0.000 0.843 115 E CB 0.961 30.646 29.700 -0.025 0.000 1.062 115 E HN 0.428 nan 8.360 nan 0.000 0.401 116 Y N 1.147 121.252 120.300 -0.325 0.000 2.620 116 Y HA 0.346 4.896 4.550 0.000 0.000 0.331 116 Y C -0.816 175.002 175.900 -0.136 0.000 1.173 116 Y CA -1.422 56.575 58.100 -0.171 0.000 1.076 116 Y CB 0.576 38.945 38.460 -0.152 0.000 1.336 116 Y HN 0.627 nan 8.280 nan 0.000 0.459 117 N N -0.083 118.661 118.700 0.074 0.000 2.815 117 N HA -0.268 4.472 4.740 0.000 0.000 0.248 117 N C -1.228 174.285 175.510 0.005 0.000 1.110 117 N CA 0.832 53.896 53.050 0.023 0.000 0.699 117 N CB -1.790 36.660 38.487 -0.061 0.000 1.040 117 N HN 0.891 nan 8.380 nan 0.000 0.555 118 Y N 0.181 120.433 120.300 -0.080 0.000 2.620 118 Y HA 0.320 4.870 4.550 0.000 0.000 0.330 118 Y C 0.034 175.920 175.900 -0.023 0.000 1.186 118 Y CA 0.006 58.068 58.100 -0.064 0.000 1.467 118 Y CB 0.614 38.979 38.460 -0.158 0.000 1.262 118 Y HN -0.017 nan 8.280 nan 0.000 0.550 119 V N 8.034 127.832 119.914 -0.195 0.000 2.447 119 V HA 0.195 4.315 4.120 0.000 0.000 0.292 119 V C -0.249 175.711 176.094 -0.223 0.000 1.021 119 V CA -1.332 60.922 62.300 -0.077 0.000 0.850 119 V CB 1.373 33.160 31.823 -0.061 0.000 1.005 119 V HN 0.780 nan 8.190 nan 0.000 0.426 120 K N 3.977 124.361 120.400 -0.027 0.000 2.230 120 K HA 0.381 4.701 4.320 0.000 0.000 0.253 120 K C -0.325 176.207 176.600 -0.114 0.000 1.008 120 K CA -0.114 56.180 56.287 0.011 0.000 0.910 120 K CB 0.661 33.287 32.500 0.210 0.000 0.994 120 K HN 0.759 nan 8.250 nan 0.000 0.495 121 Q N 3.405 123.101 119.800 -0.174 0.000 2.597 121 Q HA 0.093 4.433 4.340 0.000 0.000 0.227 121 Q C -1.745 174.028 176.000 -0.377 0.000 0.803 121 Q CA -0.422 55.063 55.803 -0.530 0.000 1.030 121 Q CB 0.337 28.587 28.738 -0.813 0.000 1.559 121 Q HN 0.889 nan 8.270 nan 0.000 0.481 122 W N 1.419 122.763 121.300 0.073 0.000 3.094 122 W HA -0.346 4.314 4.660 0.000 0.000 0.320 122 W C 1.137 177.633 176.519 -0.039 0.000 0.089 122 W CA -0.225 57.155 57.345 0.057 0.000 0.459 122 W CB -0.743 28.684 29.460 -0.056 0.000 2.828 122 W HN 0.699 nan 8.180 nan 0.000 0.416 123 R N -0.581 120.000 120.500 0.134 0.000 2.070 123 R HA -0.164 4.176 4.340 0.000 0.000 0.233 123 R C 1.759 177.837 176.300 -0.370 0.000 1.137 123 R CA 2.480 58.449 56.100 -0.218 0.000 0.945 123 R CB -0.388 29.619 30.300 -0.489 0.000 0.845 123 R HN 0.509 nan 8.270 nan 0.000 0.430 124 H N -1.741 117.388 119.070 0.099 0.000 2.855 124 H HA 0.277 4.833 4.556 0.000 0.000 0.259 124 H C 0.387 175.795 175.328 0.134 0.000 0.972 124 H CA -0.146 55.988 56.048 0.142 0.000 1.213 124 H CB 0.562 30.384 29.762 0.099 0.000 1.451 124 H HN 0.002 nan 8.280 nan 0.000 0.484 125 S N 1.252 116.908 115.700 -0.073 0.000 2.580 125 S HA 0.268 4.738 4.470 0.000 0.000 0.266 125 S C -0.629 173.892 174.600 -0.131 0.000 1.354 125 S CA 0.026 57.890 58.200 -0.561 0.000 1.008 125 S CB 0.262 62.749 63.200 -1.187 0.000 0.898 125 S HN 0.534 nan 8.310 nan 0.000 0.555 126 Y N -2.592 117.577 120.300 -0.218 0.000 2.860 126 Y HA 0.446 4.996 4.550 0.000 0.000 0.389 126 Y C -1.221 174.599 175.900 -0.133 0.000 1.143 126 Y CA -1.135 56.782 58.100 -0.305 0.000 1.330 126 Y CB 0.153 38.248 38.460 -0.608 0.000 1.481 126 Y HN 0.724 nan 8.280 nan 0.000 0.511 127 T N 0.672 115.210 114.554 -0.027 0.000 2.848 127 T HA 0.995 5.345 4.350 0.000 0.000 0.285 127 T C -0.490 174.220 174.700 0.017 0.000 0.995 127 T CA 0.069 62.165 62.100 -0.007 0.000 0.970 127 T CB 1.513 70.372 68.868 -0.015 0.000 0.976 127 T HN 1.687 nan 8.240 nan 0.000 0.441 128 A N 2.420 125.256 122.820 0.026 0.000 2.443 128 A HA 0.963 5.283 4.320 0.000 0.000 0.278 128 A C -0.247 177.093 177.584 -0.406 0.000 1.252 128 A CA -0.985 50.928 52.037 -0.207 0.000 0.816 128 A CB 1.371 20.194 19.000 -0.295 0.000 1.369 128 A HN 0.853 nan 8.150 nan 0.000 0.446 129 S N -1.163 114.030 115.700 -0.846 0.000 2.532 129 S HA 0.758 5.228 4.470 0.000 0.000 0.301 129 S C -1.604 172.206 174.600 -1.316 0.000 1.083 129 S CA -0.116 57.529 58.200 -0.926 0.000 1.025 129 S CB 0.865 63.407 63.200 -1.097 0.000 1.056 129 S HN 0.451 nan 8.310 nan 0.000 0.494 130 Y N 0.176 120.179 120.300 -0.494 0.000 2.576 130 Y HA 0.650 5.200 4.550 0.000 0.000 0.346 130 Y C 0.122 176.008 175.900 -0.023 0.000 1.018 130 Y CA -0.771 57.185 58.100 -0.239 0.000 1.050 130 Y CB 2.167 40.463 38.460 -0.273 0.000 1.280 130 Y HN 0.560 nan 8.280 nan 0.000 0.474 131 S N 2.450 118.296 115.700 0.245 0.000 2.575 131 S HA 0.554 5.024 4.470 0.000 0.000 0.278 131 S C -1.421 173.277 174.600 0.165 0.000 1.139 131 S CA -0.679 57.628 58.200 0.177 0.000 0.954 131 S CB 1.118 64.433 63.200 0.193 0.000 1.054 131 S HN 0.334 nan 8.310 nan 0.000 0.483 132 I N 3.286 123.922 120.570 0.111 0.000 2.315 132 I HA 0.266 4.436 4.170 0.000 0.000 0.291 132 I C -0.543 175.721 176.117 0.245 0.000 1.006 132 I CA -0.493 60.909 61.300 0.171 0.000 1.265 132 I CB 0.254 38.276 38.000 0.037 0.000 1.387 132 I HN 0.726 nan 8.210 nan 0.000 0.475 133 Y N 5.674 126.101 120.300 0.212 0.000 2.335 133 Y HA 0.275 4.825 4.550 0.000 0.000 0.339 133 Y C 0.164 176.186 175.900 0.203 0.000 0.987 133 Y CA -0.642 57.555 58.100 0.161 0.000 1.140 133 Y CB 0.804 39.334 38.460 0.117 0.000 1.173 133 Y HN 0.508 nan 8.280 nan 0.000 0.486 134 D N 6.729 126.868 120.400 -0.435 0.000 2.352 134 D HA 0.076 4.716 4.640 0.000 0.000 0.245 134 D C 0.910 176.772 176.300 -0.730 0.000 1.224 134 D CA 0.354 54.111 54.000 -0.404 0.000 0.879 134 D CB 0.776 41.475 40.800 -0.169 0.000 1.057 134 D HN 0.871 nan 8.370 nan 0.000 0.491 135 L N 3.719 124.629 121.223 -0.522 0.000 1.989 135 L HA -0.227 4.113 4.340 0.000 0.000 0.211 135 L C 2.132 178.804 176.870 -0.331 0.000 1.071 135 L CA 1.011 55.640 54.840 -0.352 0.000 0.749 135 L CB -0.488 41.392 42.059 -0.299 0.000 0.890 135 L HN 0.414 nan 8.230 nan 0.000 0.431 136 N N 0.531 119.015 118.700 -0.359 0.000 2.018 136 N HA -0.266 4.474 4.740 0.000 0.000 0.196 136 N C 1.727 177.115 175.510 -0.204 0.000 1.043 136 N CA 1.632 54.527 53.050 -0.258 0.000 0.856 136 N CB -0.061 38.266 38.487 -0.267 0.000 1.042 136 N HN -0.001 nan 8.380 nan 0.000 0.423 137 K N 0.818 121.091 120.400 -0.212 0.000 2.504 137 K HA 0.111 4.431 4.320 0.000 0.000 0.195 137 K C -0.381 176.122 176.600 -0.162 0.000 1.036 137 K CA 0.294 56.493 56.287 -0.146 0.000 0.984 137 K CB 0.065 32.512 32.500 -0.089 0.000 0.788 137 K HN 0.158 nan 8.250 nan 0.000 0.488 138 R N 0.705 121.054 120.500 -0.251 0.000 3.264 138 R HA -0.229 4.111 4.340 0.000 0.000 0.251 138 R C -1.072 175.133 176.300 -0.157 0.000 0.971 138 R CA 1.123 57.105 56.100 -0.197 0.000 0.658 138 R CB -1.911 28.361 30.300 -0.047 0.000 1.095 138 R HN 0.579 nan 8.270 nan 0.000 0.443 139 Q N -1.520 118.029 119.800 -0.418 0.000 2.829 139 Q HA 0.458 4.799 4.340 0.000 0.000 0.296 139 Q C -1.122 174.782 176.000 -0.159 0.000 0.893 139 Q CA -1.098 54.641 55.803 -0.107 0.000 0.772 139 Q CB 0.727 29.460 28.738 -0.008 0.000 1.489 139 Q HN 0.107 nan 8.270 nan 0.000 0.420 140 L N 1.712 122.998 121.223 0.104 0.000 2.319 140 L HA 0.405 4.745 4.340 0.000 0.000 0.280 140 L C -0.200 176.704 176.870 0.058 0.000 1.099 140 L CA -0.573 54.344 54.840 0.127 0.000 0.828 140 L CB 0.273 42.426 42.059 0.156 0.000 1.150 140 L HN 0.567 nan 8.230 nan 0.000 0.442 141 I N 2.827 123.415 120.570 0.030 0.000 2.668 141 I HA -0.090 4.080 4.170 0.000 0.000 0.285 141 I C 1.254 177.377 176.117 0.008 0.000 1.168 141 I CA 0.563 61.858 61.300 -0.007 0.000 1.424 141 I CB 0.967 38.850 38.000 -0.194 0.000 1.377 141 I HN 0.680 nan 8.210 nan 0.000 0.560 142 T N 3.528 118.102 114.554 0.033 0.000 2.959 142 T HA 0.078 4.428 4.350 0.000 0.000 0.254 142 T C 1.157 175.861 174.700 0.007 0.000 1.003 142 T CA 0.179 62.289 62.100 0.017 0.000 0.950 142 T CB 0.177 69.059 68.868 0.024 0.000 1.090 142 T HN 0.599 nan 8.240 nan 0.000 0.503 143 E N 1.691 121.909 120.200 0.030 0.000 1.957 143 E HA -0.003 4.347 4.350 0.000 0.000 0.214 143 E C 0.635 177.225 176.600 -0.017 0.000 0.922 143 E CA 0.849 57.262 56.400 0.022 0.000 0.977 143 E CB -0.041 29.700 29.700 0.068 0.000 0.841 143 E HN 0.263 nan 8.360 nan 0.000 0.583 144 E N 2.275 122.463 120.200 -0.020 0.000 1.842 144 E HA 0.038 4.388 4.350 0.000 0.000 0.278 144 E C -0.442 176.098 176.600 -0.100 0.000 1.171 144 E CA 0.175 56.541 56.400 -0.056 0.000 1.127 144 E CB -0.195 29.483 29.700 -0.037 0.000 1.100 144 E HN 0.181 nan 8.360 nan 0.000 0.456 145 K N 0.984 121.315 120.400 -0.115 0.000 2.181 145 K HA 0.257 4.577 4.320 0.000 0.000 0.239 145 K C 0.732 177.182 176.600 -0.251 0.000 1.073 145 K CA -0.124 56.070 56.287 -0.154 0.000 0.839 145 K CB 0.634 33.058 32.500 -0.128 0.000 1.116 145 K HN 0.355 nan 8.250 nan 0.000 0.518 146 I N 2.171 122.552 120.570 -0.315 0.000 2.418 146 I HA 0.257 4.427 4.170 0.000 0.000 0.287 146 I C -2.259 173.547 176.117 -0.518 0.000 1.008 146 I CA -2.617 58.363 61.300 -0.533 0.000 1.104 146 I CB 1.665 39.278 38.000 -0.645 0.000 1.264 146 I HN 0.433 nan 8.210 nan 0.000 0.438 147 P HA -0.183 nan 4.420 nan 0.000 0.261 147 P C -0.383 176.655 177.300 -0.438 0.000 1.133 147 P CA 0.735 63.354 63.100 -0.802 0.000 0.756 147 P CB 0.148 30.886 31.700 -1.603 0.000 0.726 148 N N 2.679 121.216 118.700 -0.272 0.000 2.523 148 N HA -0.042 4.698 4.740 0.000 0.000 0.208 148 N C 0.486 175.974 175.510 -0.037 0.000 1.313 148 N CA -0.115 52.851 53.050 -0.139 0.000 0.853 148 N CB -0.165 38.272 38.487 -0.083 0.000 1.090 148 N HN 0.339 nan 8.380 nan 0.000 0.463 149 N N -0.084 118.655 118.700 0.065 0.000 2.330 149 N HA -0.002 4.738 4.740 0.000 0.000 0.249 149 N C -1.105 174.579 175.510 0.290 0.000 1.413 149 N CA 0.012 53.171 53.050 0.182 0.000 0.817 149 N CB 0.633 39.283 38.487 0.272 0.000 1.362 149 N HN -0.024 nan 8.380 nan 0.000 0.499 150 T N 0.963 115.660 114.554 0.237 0.000 2.946 150 T HA -0.010 4.340 4.350 0.000 0.000 0.312 150 T C 1.581 176.386 174.700 0.176 0.000 1.066 150 T CA 0.686 62.943 62.100 0.262 0.000 1.138 150 T CB 1.147 70.073 68.868 0.096 0.000 1.014 150 T HN 0.209 nan 8.240 nan 0.000 0.544 151 Q N 1.138 121.024 119.800 0.143 0.000 2.376 151 Q HA 0.186 4.526 4.340 0.000 0.000 0.206 151 Q C 0.166 176.200 176.000 0.056 0.000 0.921 151 Q CA 0.246 56.091 55.803 0.069 0.000 0.911 151 Q CB 0.891 29.616 28.738 -0.022 0.000 1.032 151 Q HN 0.737 nan 8.270 nan 0.000 0.510 152 W N -0.088 121.094 121.300 -0.195 0.000 3.464 152 W HA 0.537 5.198 4.660 0.000 0.000 0.292 152 W C -2.361 174.045 176.519 -0.189 0.000 1.262 152 W CA -0.684 56.513 57.345 -0.247 0.000 1.202 152 W CB 1.111 30.360 29.460 -0.351 0.000 1.334 152 W HN -0.083 nan 8.180 nan 0.000 0.561 153 I N 3.688 123.467 120.570 -1.318 0.000 2.918 153 I HA 0.661 4.831 4.170 0.000 0.000 0.301 153 I C -1.571 173.869 176.117 -1.129 0.000 1.312 153 I CA -0.086 60.617 61.300 -0.995 0.000 1.007 153 I CB 2.571 39.970 38.000 -1.002 0.000 1.281 153 I HN 0.379 nan 8.210 nan 0.000 0.440 154 T N 3.748 117.938 114.554 -0.607 0.000 3.003 154 T HA 0.367 4.717 4.350 0.000 0.000 0.354 154 T C -1.796 172.808 174.700 -0.160 0.000 1.651 154 T CA -0.360 61.528 62.100 -0.353 0.000 1.103 154 T CB 0.513 69.360 68.868 -0.035 0.000 1.450 154 T HN 0.551 nan 8.240 nan 0.000 0.484 155 W N 2.576 123.846 121.300 -0.049 0.000 2.086 155 W HA 0.524 5.184 4.660 0.000 0.000 0.355 155 W C 1.362 177.687 176.519 -0.323 0.000 1.313 155 W CA -0.412 56.848 57.345 -0.141 0.000 1.358 155 W CB 0.533 29.938 29.460 -0.093 0.000 1.166 155 W HN 0.820 nan 8.180 nan 0.000 0.630 156 S N -0.110 115.343 115.700 -0.412 0.000 2.641 156 S HA 0.087 4.557 4.470 0.000 0.000 0.261 156 S C 0.578 175.027 174.600 -0.252 0.000 1.257 156 S CA -0.509 57.107 58.200 -0.974 0.000 0.983 156 S CB 0.658 63.158 63.200 -1.167 0.000 0.990 156 S HN 0.648 nan 8.310 nan 0.000 0.572 157 Q N -0.061 119.652 119.800 -0.144 0.000 2.389 157 Q HA -0.006 4.334 4.340 0.000 0.000 0.204 157 Q C 0.880 176.856 176.000 -0.039 0.000 0.944 157 Q CA 0.893 56.695 55.803 -0.001 0.000 0.908 157 Q CB 0.004 28.777 28.738 0.060 0.000 1.002 157 Q HN 0.685 nan 8.270 nan 0.000 0.493 158 E N -0.159 119.970 120.200 -0.118 0.000 2.430 158 E HA 0.109 4.459 4.350 0.000 0.000 0.253 158 E C 1.254 177.786 176.600 -0.113 0.000 0.903 158 E CA 0.650 56.989 56.400 -0.103 0.000 1.082 158 E CB -0.890 28.738 29.700 -0.121 0.000 1.751 158 E HN 0.196 nan 8.360 nan 0.000 0.530 159 G N 0.718 109.413 108.800 -0.175 0.000 3.078 159 G HA2 -0.039 3.921 3.960 0.000 0.000 0.163 159 G HA3 -0.039 3.921 3.960 0.000 0.000 0.163 159 G C 0.155 174.986 174.900 -0.115 0.000 1.894 159 G CA 0.522 45.529 45.100 -0.157 0.000 0.951 159 G HN 0.511 nan 8.290 nan 0.000 0.446 160 H N -0.398 118.642 119.070 -0.050 0.000 2.651 160 H HA 0.444 5.000 4.556 0.000 0.000 0.241 160 H C -0.222 175.235 175.328 0.214 0.000 1.225 160 H CA -0.467 55.598 56.048 0.028 0.000 0.942 160 H CB -0.243 29.515 29.762 -0.006 0.000 1.996 160 H HN 0.158 nan 8.280 nan 0.000 0.600 161 K N 1.632 121.979 120.400 -0.088 0.000 2.218 161 K HA 0.476 4.796 4.320 0.000 0.000 0.276 161 K C -0.428 176.129 176.600 -0.072 0.000 1.022 161 K CA -0.372 55.799 56.287 -0.194 0.000 0.946 161 K CB 1.540 33.669 32.500 -0.617 0.000 1.000 161 K HN 0.172 nan 8.250 nan 0.000 0.468 162 L N 1.782 123.019 121.223 0.024 0.000 2.381 162 L HA 0.616 4.956 4.340 0.000 0.000 0.268 162 L C -0.853 176.207 176.870 0.317 0.000 0.997 162 L CA -0.877 53.968 54.840 0.008 0.000 0.818 162 L CB 2.096 44.008 42.059 -0.245 0.000 1.310 162 L HN 0.680 nan 8.230 nan 0.000 0.416 163 A N 2.941 125.968 122.820 0.345 0.000 2.359 163 A HA 0.790 5.110 4.320 0.000 0.000 0.303 163 A C -1.621 176.018 177.584 0.091 0.000 1.066 163 A CA -0.380 51.787 52.037 0.217 0.000 0.730 163 A CB 1.177 20.250 19.000 0.122 0.000 1.211 163 A HN 0.652 nan 8.150 nan 0.000 0.439 164 Y N -0.173 120.093 120.300 -0.057 0.000 2.534 164 Y HA 0.742 5.292 4.550 0.000 0.000 0.345 164 Y C -1.281 174.645 175.900 0.042 0.000 1.031 164 Y CA -1.491 56.543 58.100 -0.110 0.000 1.022 164 Y CB 1.101 39.418 38.460 -0.238 0.000 1.292 164 Y HN 0.383 nan 8.280 nan 0.000 0.459 165 V N 3.056 123.070 119.914 0.167 0.000 2.435 165 V HA 0.376 4.496 4.120 0.000 0.000 0.290 165 V C -1.311 174.963 176.094 0.301 0.000 1.030 165 V CA -0.487 61.890 62.300 0.130 0.000 0.881 165 V CB 1.269 33.088 31.823 -0.007 0.000 0.983 165 V HN 0.882 nan 8.190 nan 0.000 0.445 166 W N 5.700 127.070 121.300 0.117 0.000 3.211 166 W HA 0.541 5.201 4.660 0.000 0.000 0.335 166 W C 0.064 176.627 176.519 0.073 0.000 1.113 166 W CA -1.032 56.359 57.345 0.076 0.000 1.235 166 W CB 1.229 30.712 29.460 0.037 0.000 1.365 166 W HN 0.517 nan 8.180 nan 0.000 0.476 167 K N 5.126 125.080 120.400 -0.744 0.000 3.117 167 K HA -0.309 4.011 4.320 0.000 0.000 0.269 167 K C 0.281 176.676 176.600 -0.342 0.000 1.098 167 K CA 1.470 57.335 56.287 -0.703 0.000 0.785 167 K CB -1.740 30.123 32.500 -1.061 0.000 1.242 167 K HN 0.923 nan 8.250 nan 0.000 0.491 168 N N -0.444 118.108 118.700 -0.246 0.000 2.863 168 N HA -0.168 4.572 4.740 0.000 0.000 0.245 168 N C -0.708 174.711 175.510 -0.152 0.000 1.001 168 N CA 1.841 54.768 53.050 -0.205 0.000 0.901 168 N CB -0.354 37.957 38.487 -0.293 0.000 1.124 168 N HN 0.479 nan 8.380 nan 0.000 0.582 169 D N -0.089 120.253 120.400 -0.096 0.000 2.342 169 D HA 0.446 5.086 4.640 0.000 0.000 0.243 169 D C 0.425 176.612 176.300 -0.189 0.000 1.019 169 D CA -0.457 53.441 54.000 -0.170 0.000 0.864 169 D CB 1.311 42.000 40.800 -0.184 0.000 1.315 169 D HN 0.014 nan 8.370 nan 0.000 0.468 170 I N 2.008 122.310 120.570 -0.446 0.000 2.395 170 I HA 0.189 4.359 4.170 0.000 0.000 0.289 170 I C -0.598 175.114 176.117 -0.675 0.000 1.023 170 I CA -0.293 60.721 61.300 -0.475 0.000 1.350 170 I CB 0.423 38.049 38.000 -0.623 0.000 1.409 170 I HN 0.169 nan 8.210 nan 0.000 0.507 171 Y N 4.251 124.207 120.300 -0.574 0.000 2.536 171 Y HA 0.677 5.227 4.550 0.000 0.000 0.347 171 Y C -0.237 175.380 175.900 -0.471 0.000 1.000 171 Y CA -0.903 56.836 58.100 -0.602 0.000 1.051 171 Y CB 2.031 39.886 38.460 -1.008 0.000 1.259 171 Y HN 0.122 nan 8.280 nan 0.000 0.468 172 V N 2.249 122.145 119.914 -0.030 0.000 2.789 172 V HA 0.503 4.623 4.120 0.000 0.000 0.311 172 V C -1.052 175.170 176.094 0.212 0.000 1.073 172 V CA -1.456 60.910 62.300 0.109 0.000 0.921 172 V CB 2.309 34.200 31.823 0.113 0.000 1.009 172 V HN 0.605 nan 8.190 nan 0.000 0.426 173 K N 3.990 124.519 120.400 0.214 0.000 2.616 173 K HA 0.403 4.723 4.320 0.000 0.000 0.241 173 K C 0.176 176.856 176.600 0.134 0.000 0.961 173 K CA -0.607 55.787 56.287 0.177 0.000 0.942 173 K CB 2.145 34.711 32.500 0.110 0.000 1.153 173 K HN 0.408 nan 8.250 nan 0.000 0.452 174 I N 1.593 122.241 120.570 0.131 0.000 2.315 174 I HA -0.285 3.885 4.170 0.000 0.000 0.251 174 I C 0.808 176.947 176.117 0.036 0.000 1.125 174 I CA 1.615 62.948 61.300 0.056 0.000 1.392 174 I CB -0.221 37.801 38.000 0.037 0.000 1.065 174 I HN 0.690 nan 8.210 nan 0.000 0.424 175 E N -1.895 118.361 120.200 0.093 0.000 2.372 175 E HA 0.308 4.658 4.350 0.000 0.000 0.279 175 E C -2.384 174.226 176.600 0.017 0.000 0.946 175 E CA -1.614 54.879 56.400 0.155 0.000 0.769 175 E CB 1.386 31.239 29.700 0.254 0.000 1.230 175 E HN -0.295 nan 8.360 nan 0.000 0.442 176 P HA -0.236 nan 4.420 nan 0.000 0.218 176 P C 0.537 177.665 177.300 -0.285 0.000 1.152 176 P CA 1.562 64.444 63.100 -0.362 0.000 0.857 176 P CB 0.028 31.204 31.700 -0.873 0.000 0.787 177 H N -2.012 117.022 119.070 -0.060 0.000 2.512 177 H HA 0.134 4.691 4.556 0.000 0.000 0.279 177 H C 1.136 176.463 175.328 -0.002 0.000 0.999 177 H CA 0.338 56.380 56.048 -0.010 0.000 1.283 177 H CB -0.244 29.532 29.762 0.023 0.000 1.421 177 H HN 0.183 nan 8.280 nan 0.000 0.554 178 L N 2.582 123.873 121.223 0.112 0.000 2.466 178 L HA 0.178 4.518 4.340 0.000 0.000 0.257 178 L C -1.799 175.100 176.870 0.049 0.000 1.189 178 L CA -1.849 53.044 54.840 0.089 0.000 0.813 178 L CB 0.342 42.470 42.059 0.115 0.000 1.118 178 L HN -0.024 nan 8.230 nan 0.000 0.471 179 P HA 0.089 nan 4.420 nan 0.000 0.277 179 P C -0.909 176.371 177.300 -0.033 0.000 1.240 179 P CA -0.435 62.649 63.100 -0.027 0.000 0.798 179 P CB 1.011 32.669 31.700 -0.071 0.000 0.979 180 S N 1.219 116.902 115.700 -0.029 0.000 2.549 180 S HA 0.145 4.615 4.470 0.000 0.000 0.279 180 S C 0.135 174.685 174.600 -0.084 0.000 1.321 180 S CA -0.150 58.080 58.200 0.051 0.000 1.054 180 S CB -0.316 62.962 63.200 0.131 0.000 0.899 180 S HN 0.404 nan 8.310 nan 0.000 0.497 181 H N 2.467 121.589 119.070 0.087 0.000 2.595 181 H HA 0.222 4.778 4.556 0.000 0.000 0.313 181 H C 0.209 175.506 175.328 -0.053 0.000 1.023 181 H CA -0.438 55.625 56.048 0.025 0.000 1.218 181 H CB 0.744 30.508 29.762 0.003 0.000 1.403 181 H HN 0.493 nan 8.280 nan 0.000 0.477 182 R N 3.971 124.447 120.500 -0.040 0.000 2.370 182 R HA 0.044 4.384 4.340 0.000 0.000 0.309 182 R C 0.664 176.767 176.300 -0.329 0.000 1.059 182 R CA -0.234 55.638 56.100 -0.380 0.000 0.981 182 R CB 0.198 30.305 30.300 -0.322 0.000 0.972 182 R HN 0.529 nan 8.270 nan 0.000 0.437 183 I N 2.508 122.804 120.570 -0.457 0.000 2.585 183 I HA -0.038 4.132 4.170 0.000 0.000 0.254 183 I C 1.198 177.088 176.117 -0.379 0.000 1.129 183 I CA 0.998 62.085 61.300 -0.356 0.000 1.455 183 I CB -0.733 37.025 38.000 -0.404 0.000 1.111 183 I HN 0.696 nan 8.210 nan 0.000 0.433 184 T N -1.973 112.294 114.554 -0.478 0.000 2.887 184 T HA 0.543 4.893 4.350 0.000 0.000 0.292 184 T C 0.355 174.862 174.700 -0.323 0.000 1.087 184 T CA 0.112 61.983 62.100 -0.382 0.000 1.009 184 T CB 2.399 71.012 68.868 -0.425 0.000 1.203 184 T HN 0.106 nan 8.240 nan 0.000 0.518 185 S N -1.764 113.805 115.700 -0.218 0.000 2.760 185 S HA 0.077 4.547 4.470 0.000 0.000 0.263 185 S C 1.544 176.078 174.600 -0.110 0.000 1.007 185 S CA 0.499 58.607 58.200 -0.153 0.000 1.358 185 S CB -0.630 62.500 63.200 -0.116 0.000 1.228 185 S HN 1.088 nan 8.310 nan 0.000 0.684 186 T N 0.296 114.784 114.554 -0.111 0.000 3.072 186 T HA 0.253 4.603 4.350 0.000 0.000 0.266 186 T C 1.202 175.863 174.700 -0.064 0.000 1.127 186 T CA 0.604 62.663 62.100 -0.068 0.000 1.107 186 T CB -0.906 67.932 68.868 -0.050 0.000 0.910 186 T HN 0.628 nan 8.240 nan 0.000 0.513 187 G N 1.059 109.799 108.800 -0.101 0.000 2.368 187 G HA2 0.336 4.296 3.960 0.000 0.000 0.233 187 G HA3 0.336 4.296 3.960 0.000 0.000 0.233 187 G C -0.598 174.226 174.900 -0.127 0.000 1.267 187 G CA -0.397 44.630 45.100 -0.122 0.000 0.873 187 G HN 0.664 nan 8.290 nan 0.000 0.539 188 K N 1.522 121.825 120.400 -0.161 0.000 2.580 188 K HA 0.129 4.449 4.320 0.000 0.000 0.258 188 K C -0.375 176.094 176.600 -0.218 0.000 0.936 188 K CA -0.683 55.516 56.287 -0.146 0.000 0.852 188 K CB 1.555 34.019 32.500 -0.061 0.000 1.329 188 K HN 0.669 nan 8.250 nan 0.000 0.430 189 E N 3.270 123.348 120.200 -0.204 0.000 2.608 189 E HA -0.123 4.227 4.350 0.000 0.000 0.259 189 E C -0.312 176.220 176.600 -0.114 0.000 0.951 189 E CA 0.595 56.856 56.400 -0.231 0.000 0.945 189 E CB 0.224 29.826 29.700 -0.163 0.000 0.916 189 E HN 0.651 nan 8.360 nan 0.000 0.477 190 N N 1.967 120.578 118.700 -0.149 0.000 2.681 190 N HA -0.208 4.532 4.740 0.000 0.000 0.250 190 N C -0.129 175.578 175.510 0.329 0.000 1.133 190 N CA 1.106 54.277 53.050 0.201 0.000 0.732 190 N CB -0.996 37.597 38.487 0.177 0.000 1.107 190 N HN 0.340 nan 8.380 nan 0.000 0.559 191 V N -1.783 118.240 119.914 0.183 0.000 3.889 191 V HA 0.270 4.390 4.120 0.000 0.000 0.184 191 V C 0.379 176.652 176.094 0.298 0.000 1.311 191 V CA 0.256 62.704 62.300 0.247 0.000 1.277 191 V CB 0.642 32.549 31.823 0.140 0.000 1.364 191 V HN 0.013 nan 8.190 nan 0.000 0.567 192 I N 1.635 122.267 120.570 0.104 0.000 2.382 192 I HA 0.493 4.663 4.170 0.000 0.000 0.286 192 I C -1.384 174.774 176.117 0.068 0.000 1.002 192 I CA -0.439 60.968 61.300 0.178 0.000 1.135 192 I CB 0.930 38.980 38.000 0.083 0.000 1.288 192 I HN 0.105 nan 8.210 nan 0.000 0.448 193 F N 5.039 125.089 119.950 0.166 0.000 2.411 193 F HA 0.423 4.950 4.527 0.000 0.000 0.352 193 F C 0.587 176.472 175.800 0.141 0.000 1.123 193 F CA -0.680 57.424 58.000 0.174 0.000 1.044 193 F CB 0.961 40.139 39.000 0.297 0.000 1.135 193 F HN 0.315 nan 8.300 nan 0.000 0.461 194 N N 2.304 121.088 118.700 0.141 0.000 2.511 194 N HA 0.390 5.130 4.740 0.000 0.000 0.249 194 N C 0.828 176.295 175.510 -0.073 0.000 0.971 194 N CA 0.177 53.234 53.050 0.013 0.000 0.938 194 N CB 1.764 40.154 38.487 -0.162 0.000 1.131 194 N HN 0.875 nan 8.380 nan 0.000 0.505 195 G N 1.541 110.326 108.800 -0.026 0.000 2.176 195 G HA2 -0.241 3.719 3.960 0.000 0.000 0.253 195 G HA3 -0.241 3.719 3.960 0.000 0.000 0.253 195 G C 0.094 174.863 174.900 -0.217 0.000 0.979 195 G CA 0.649 45.660 45.100 -0.150 0.000 0.641 195 G HN 0.643 nan 8.290 nan 0.000 0.530 196 I N -3.565 116.959 120.570 -0.076 0.000 2.994 196 I HA 0.643 4.813 4.170 0.000 0.000 0.306 196 I C -0.756 175.449 176.117 0.147 0.000 1.195 196 I CA -1.592 59.592 61.300 -0.193 0.000 1.001 196 I CB 1.748 39.490 38.000 -0.430 0.000 1.244 196 I HN -0.130 nan 8.210 nan 0.000 0.437 197 N N 2.896 121.647 118.700 0.085 0.000 2.508 197 N HA 0.199 4.939 4.740 0.000 0.000 0.285 197 N C -0.897 174.465 175.510 -0.247 0.000 1.144 197 N CA -0.345 52.590 53.050 -0.190 0.000 0.978 197 N CB 1.236 39.684 38.487 -0.064 0.000 1.180 197 N HN 0.768 nan 8.380 nan 0.000 0.484 198 D N -0.292 119.609 120.400 -0.832 0.000 2.414 198 D HA -0.071 4.569 4.640 0.000 0.000 0.259 198 D C 1.111 177.284 176.300 -0.212 0.000 1.269 198 D CA -0.408 53.023 54.000 -0.948 0.000 1.028 198 D CB 0.587 40.730 40.800 -1.095 0.000 1.093 198 D HN 0.518 nan 8.370 nan 0.000 0.545 199 W N 0.223 121.411 121.300 -0.187 0.000 2.332 199 W HA -0.226 4.434 4.660 0.000 0.000 0.321 199 W C 2.330 178.737 176.519 -0.187 0.000 1.219 199 W CA 2.417 59.669 57.345 -0.155 0.000 1.277 199 W CB -0.600 28.713 29.460 -0.244 0.000 1.161 199 W HN 0.199 nan 8.180 nan 0.000 0.476 200 V N 0.019 120.043 119.914 0.183 0.000 2.407 200 V HA -0.319 3.801 4.120 0.000 0.000 0.248 200 V C 1.929 177.890 176.094 -0.222 0.000 1.055 200 V CA 2.157 64.449 62.300 -0.014 0.000 1.049 200 V CB -0.789 31.027 31.823 -0.012 0.000 0.662 200 V HN 0.327 nan 8.190 nan 0.000 0.455 201 Y N 0.489 120.636 120.300 -0.255 0.000 2.200 201 Y HA -0.158 4.392 4.550 0.000 0.000 0.290 201 Y C 2.680 178.490 175.900 -0.151 0.000 1.137 201 Y CA 2.175 60.140 58.100 -0.225 0.000 1.163 201 Y CB -0.187 38.046 38.460 -0.378 0.000 0.988 201 Y HN 0.320 nan 8.280 nan 0.000 0.518 202 E N 0.333 120.507 120.200 -0.043 0.000 2.085 202 E HA -0.289 4.061 4.350 0.000 0.000 0.194 202 E C 1.928 178.454 176.600 -0.123 0.000 0.994 202 E CA 1.660 58.037 56.400 -0.037 0.000 0.801 202 E CB 0.063 29.727 29.700 -0.060 0.000 0.743 202 E HN 0.424 nan 8.360 nan 0.000 0.453 203 E N 0.284 120.252 120.200 -0.387 0.000 2.033 203 E HA -0.125 4.225 4.350 0.000 0.000 0.189 203 E C 1.734 178.194 176.600 -0.234 0.000 0.979 203 E CA 1.387 57.532 56.400 -0.425 0.000 0.802 203 E CB 0.118 29.210 29.700 -1.013 0.000 0.763 203 E HN 0.160 nan 8.360 nan 0.000 0.449 204 E N -0.458 119.590 120.200 -0.253 0.000 2.389 204 E HA 0.080 4.430 4.350 0.000 0.000 0.199 204 E C 1.781 178.238 176.600 -0.239 0.000 0.978 204 E CA 0.208 56.503 56.400 -0.175 0.000 0.912 204 E CB 0.504 30.106 29.700 -0.163 0.000 0.907 204 E HN 0.326 nan 8.360 nan 0.000 0.494 205 I N -0.725 119.646 120.570 -0.331 0.000 2.962 205 I HA 0.044 4.214 4.170 0.000 0.000 0.246 205 I C 2.006 177.898 176.117 -0.376 0.000 1.091 205 I CA 0.715 61.737 61.300 -0.463 0.000 1.469 205 I CB -1.100 36.455 38.000 -0.742 0.000 1.324 205 I HN -0.055 nan 8.210 nan 0.000 0.461 206 F N 1.155 121.105 119.950 0.000 0.000 2.387 206 F HA 0.251 4.778 4.527 0.000 0.000 0.294 206 F C 2.016 177.778 175.800 -0.062 0.000 1.093 206 F CA 1.003 59.020 58.000 0.028 0.000 1.420 206 F CB -0.119 38.944 39.000 0.105 0.000 1.086 206 F HN 0.323 nan 8.300 nan 0.000 0.531 207 G N 0.324 109.137 108.800 0.022 0.000 2.176 207 G HA2 -0.081 3.879 3.960 0.000 0.000 0.253 207 G HA3 -0.081 3.879 3.960 0.000 0.000 0.253 207 G C 0.087 174.621 174.900 -0.609 0.000 0.979 207 G CA -0.017 44.955 45.100 -0.213 0.000 0.641 207 G HN 0.754 nan 8.290 nan 0.000 0.530 208 A N -1.919 120.744 122.820 -0.262 0.000 2.564 208 A HA 0.749 5.069 4.320 0.000 0.000 0.288 208 A C 0.263 177.804 177.584 -0.073 0.000 1.164 208 A CA 0.302 52.185 52.037 -0.256 0.000 0.712 208 A CB 0.370 19.236 19.000 -0.222 0.000 1.303 208 A HN 0.846 nan 8.150 nan 0.000 0.418 209 Y N 0.787 120.914 120.300 -0.288 0.000 2.337 209 Y HA 0.127 4.677 4.550 0.000 0.000 0.293 209 Y C 1.621 177.170 175.900 -0.584 0.000 1.123 209 Y CA 0.988 58.897 58.100 -0.318 0.000 1.201 209 Y CB -0.250 38.053 38.460 -0.261 0.000 1.011 209 Y HN 0.568 nan 8.280 nan 0.000 0.545 210 S N 0.289 115.414 115.700 -0.959 0.000 2.549 210 S HA 0.395 4.865 4.470 0.000 0.000 0.286 210 S C 0.412 174.483 174.600 -0.882 0.000 1.314 210 S CA 0.322 57.745 58.200 -1.295 0.000 1.062 210 S CB 0.389 62.632 63.200 -1.595 0.000 0.865 210 S HN 0.411 nan 8.310 nan 0.000 0.498 211 A N 5.397 127.694 122.820 -0.872 0.000 2.676 211 A HA 0.476 4.796 4.320 0.000 0.000 0.258 211 A C -0.446 176.472 177.584 -1.110 0.000 0.898 211 A CA -0.466 51.016 52.037 -0.926 0.000 1.087 211 A CB 0.036 18.894 19.000 -0.236 0.000 1.214 211 A HN 0.679 nan 8.150 nan 0.000 0.474 212 L N -0.322 120.158 121.223 -1.239 0.000 2.333 212 L HA 0.683 5.023 4.340 0.000 0.000 0.269 212 L C -0.977 175.320 176.870 -0.956 0.000 1.010 212 L CA -0.766 53.618 54.840 -0.759 0.000 0.818 212 L CB 1.903 43.763 42.059 -0.332 0.000 1.306 212 L HN 0.392 nan 8.230 nan 0.000 0.430 213 W N 1.385 122.724 121.300 0.066 0.000 2.822 213 W HA 0.193 4.853 4.660 0.000 0.000 0.317 213 W C -1.436 175.300 176.519 0.362 0.000 1.033 213 W CA -1.057 56.457 57.345 0.281 0.000 1.252 213 W CB 1.142 30.813 29.460 0.351 0.000 1.186 213 W HN 0.488 nan 8.180 nan 0.000 0.383 214 W N 2.694 124.204 121.300 0.350 0.000 2.238 214 W HA 0.279 4.939 4.660 0.000 0.000 0.321 214 W C 1.279 177.622 176.519 -0.293 0.000 1.293 214 W CA 0.393 57.796 57.345 0.097 0.000 1.204 214 W CB 0.942 30.431 29.460 0.049 0.000 1.167 214 W HN 0.158 nan 8.180 nan 0.000 0.553 215 S N 3.423 118.818 115.700 -0.508 0.000 2.632 215 S HA 0.501 4.971 4.470 0.000 0.000 0.267 215 S C -2.437 171.891 174.600 -0.453 0.000 1.276 215 S CA -1.489 55.825 58.200 -1.476 0.000 0.998 215 S CB 1.054 63.277 63.200 -1.629 0.000 0.953 215 S HN 0.146 nan 8.310 nan 0.000 0.547 216 P HA 0.281 nan 4.420 nan 0.000 0.272 216 P C -0.138 177.110 177.300 -0.087 0.000 1.230 216 P CA -0.045 63.005 63.100 -0.083 0.000 0.788 216 P CB 0.109 31.813 31.700 0.006 0.000 0.949 217 N N 0.260 118.923 118.700 -0.061 0.000 2.778 217 N HA -0.182 4.558 4.740 0.000 0.000 0.249 217 N C 0.857 176.305 175.510 -0.103 0.000 1.069 217 N CA 1.468 54.475 53.050 -0.070 0.000 0.831 217 N CB -2.099 36.362 38.487 -0.044 0.000 1.142 217 N HN 0.879 nan 8.380 nan 0.000 0.573 218 G N -0.625 108.117 108.800 -0.097 0.000 2.468 218 G HA2 -0.411 3.549 3.960 0.000 0.000 0.311 218 G HA3 -0.411 3.549 3.960 0.000 0.000 0.311 218 G C 1.141 176.051 174.900 0.017 0.000 0.942 218 G CA 1.700 46.785 45.100 -0.025 0.000 0.893 218 G HN 0.503 nan 8.290 nan 0.000 0.513 219 T N -0.738 113.731 114.554 -0.142 0.000 2.770 219 T HA 0.200 4.550 4.350 0.000 0.000 0.263 219 T C 0.954 175.411 174.700 -0.406 0.000 1.039 219 T CA 1.100 62.979 62.100 -0.370 0.000 1.142 219 T CB -0.045 68.414 68.868 -0.682 0.000 0.868 219 T HN 0.334 nan 8.240 nan 0.000 0.435 220 F N 0.000 119.959 119.950 0.015 0.000 2.509 220 F HA 0.679 5.207 4.527 0.000 0.000 0.334 220 F C -0.317 175.494 175.800 0.019 0.000 1.060 220 F CA -1.472 56.559 58.000 0.052 0.000 0.997 220 F CB 1.046 40.139 39.000 0.156 0.000 1.271 220 F HN -0.147 nan 8.300 nan 0.000 0.488 221 L N 1.750 123.097 121.223 0.207 0.000 2.491 221 L HA 0.747 5.087 4.340 0.000 0.000 0.267 221 L C -0.865 176.076 176.870 0.118 0.000 0.971 221 L CA -0.575 54.209 54.840 -0.093 0.000 0.857 221 L CB 0.872 42.593 42.059 -0.564 0.000 1.226 221 L HN 0.674 nan 8.230 nan 0.000 0.408 222 A N 4.464 127.441 122.820 0.261 0.000 2.304 222 A HA 0.811 5.131 4.320 0.000 0.000 0.301 222 A C -1.362 176.261 177.584 0.065 0.000 1.132 222 A CA -0.162 51.889 52.037 0.023 0.000 0.819 222 A CB 0.569 19.641 19.000 0.120 0.000 1.094 222 A HN 0.970 nan 8.150 nan 0.000 0.492 223 Y N -1.821 118.246 120.300 -0.390 0.000 2.624 223 Y HA 0.743 5.293 4.550 0.000 0.000 0.334 223 Y C -0.385 175.317 175.900 -0.329 0.000 1.155 223 Y CA -0.917 57.048 58.100 -0.224 0.000 1.046 223 Y CB 0.807 39.135 38.460 -0.220 0.000 1.316 223 Y HN 0.936 nan 8.280 nan 0.000 0.457 224 A N 2.211 125.065 122.820 0.056 0.000 2.320 224 A HA 0.726 5.046 4.320 0.000 0.000 0.334 224 A C -1.206 176.259 177.584 -0.199 0.000 1.147 224 A CA -0.841 51.101 52.037 -0.158 0.000 0.820 224 A CB 1.813 20.725 19.000 -0.147 0.000 1.218 224 A HN 0.827 nan 8.150 nan 0.000 0.482 225 Q N 0.878 120.444 119.800 -0.391 0.000 2.304 225 Q HA 0.618 4.958 4.340 0.000 0.000 0.270 225 Q C -2.155 173.597 176.000 -0.414 0.000 1.035 225 Q CA -0.364 55.339 55.803 -0.167 0.000 0.781 225 Q CB 1.239 30.121 28.738 0.240 0.000 1.261 225 Q HN 0.606 nan 8.270 nan 0.000 0.444 226 F N 2.174 122.216 119.950 0.155 0.000 2.482 226 F HA 0.418 4.945 4.527 0.000 0.000 0.331 226 F C 0.328 176.254 175.800 0.209 0.000 1.115 226 F CA -0.982 57.073 58.000 0.092 0.000 0.955 226 F CB 1.477 40.425 39.000 -0.087 0.000 1.136 226 F HN 0.418 nan 8.300 nan 0.000 0.452 227 N N 2.039 120.933 118.700 0.323 0.000 2.444 227 N HA 0.156 4.897 4.740 0.000 0.000 0.262 227 N C -0.412 175.253 175.510 0.259 0.000 0.974 227 N CA -0.134 53.079 53.050 0.271 0.000 0.933 227 N CB 1.047 39.643 38.487 0.182 0.000 1.137 227 N HN 0.580 nan 8.380 nan 0.000 0.498 228 D N 1.726 122.306 120.400 0.300 0.000 2.340 228 D HA 0.083 4.723 4.640 0.000 0.000 0.217 228 D C 1.222 177.645 176.300 0.206 0.000 1.081 228 D CA 0.237 54.389 54.000 0.252 0.000 0.842 228 D CB 0.464 41.468 40.800 0.341 0.000 0.934 228 D HN 0.505 nan 8.370 nan 0.000 0.511 229 T N -0.457 114.205 114.554 0.181 0.000 2.531 229 T HA -0.216 4.134 4.350 0.000 0.000 0.261 229 T C 1.842 176.608 174.700 0.109 0.000 1.141 229 T CA 1.998 64.180 62.100 0.137 0.000 1.176 229 T CB -0.494 68.440 68.868 0.111 0.000 0.863 229 T HN 0.343 nan 8.240 nan 0.000 0.424 230 G N 0.637 109.493 108.800 0.093 0.000 2.744 230 G HA2 0.154 4.114 3.960 0.000 0.000 0.211 230 G HA3 0.154 4.114 3.960 0.000 0.000 0.211 230 G C 0.474 175.421 174.900 0.078 0.000 1.143 230 G CA -0.066 45.077 45.100 0.072 0.000 0.788 230 G HN 0.462 nan 8.290 nan 0.000 0.534 231 V N 2.246 122.220 119.914 0.101 0.000 2.529 231 V HA 0.129 4.249 4.120 0.000 0.000 0.292 231 V C -1.557 174.600 176.094 0.106 0.000 1.028 231 V CA -1.263 61.099 62.300 0.103 0.000 1.074 231 V CB 1.197 33.093 31.823 0.122 0.000 0.958 231 V HN 0.094 nan 8.190 nan 0.000 0.481 232 P HA 0.260 nan 4.420 nan 0.000 0.271 232 P C -0.650 176.705 177.300 0.091 0.000 1.244 232 P CA -0.208 62.938 63.100 0.076 0.000 0.793 232 P CB 0.520 32.260 31.700 0.066 0.000 0.984 233 L N 0.972 122.231 121.223 0.060 0.000 2.330 233 L HA 0.603 4.943 4.340 0.000 0.000 0.271 233 L C -0.007 176.845 176.870 -0.029 0.000 1.013 233 L CA -1.093 53.785 54.840 0.064 0.000 0.816 233 L CB 1.268 43.387 42.059 0.100 0.000 1.287 233 L HN 0.272 nan 8.230 nan 0.000 0.435 234 I N -1.248 119.263 120.570 -0.098 0.000 2.474 234 I HA 0.510 4.681 4.170 0.000 0.000 0.294 234 I C -0.717 175.294 176.117 -0.177 0.000 1.005 234 I CA -0.281 60.852 61.300 -0.278 0.000 1.113 234 I CB 1.875 39.452 38.000 -0.705 0.000 1.289 234 I HN 0.487 nan 8.210 nan 0.000 0.436 235 E N 5.512 125.621 120.200 -0.151 0.000 2.580 235 E HA 0.234 4.584 4.350 0.000 0.000 0.248 235 E C -1.639 174.910 176.600 -0.085 0.000 1.018 235 E CA -0.660 55.674 56.400 -0.109 0.000 0.775 235 E CB 1.310 30.986 29.700 -0.041 0.000 1.378 235 E HN 0.683 nan 8.360 nan 0.000 0.401 236 Y N -0.216 120.042 120.300 -0.070 0.000 2.316 236 Y HA 0.585 5.135 4.550 0.000 0.000 0.324 236 Y C 0.176 176.048 175.900 -0.047 0.000 1.267 236 Y CA -0.901 57.158 58.100 -0.067 0.000 1.311 236 Y CB 0.728 39.162 38.460 -0.044 0.000 1.267 236 Y HN -0.008 nan 8.280 nan 0.000 0.516 237 S N 1.927 117.718 115.700 0.153 0.000 2.616 237 S HA 0.499 4.970 4.470 0.000 0.000 0.277 237 S C -1.521 173.050 174.600 -0.049 0.000 1.234 237 S CA -0.517 57.641 58.200 -0.069 0.000 1.028 237 S CB 0.397 63.415 63.200 -0.303 0.000 0.988 237 S HN 0.567 nan 8.310 nan 0.000 0.522 238 F N 1.983 121.730 119.950 -0.339 0.000 2.518 238 F HA 0.459 4.986 4.527 0.000 0.000 0.323 238 F C -0.436 175.120 175.800 -0.407 0.000 1.129 238 F CA -0.802 57.060 58.000 -0.229 0.000 0.920 238 F CB 0.886 39.897 39.000 0.018 0.000 1.160 238 F HN 0.672 nan 8.300 nan 0.000 0.440 239 Y N 2.626 122.651 120.300 -0.459 0.000 2.436 239 Y HA 0.169 4.719 4.550 0.000 0.000 0.288 239 Y C 1.646 177.413 175.900 -0.221 0.000 1.112 239 Y CA 0.956 58.902 58.100 -0.257 0.000 1.220 239 Y CB -0.626 37.700 38.460 -0.224 0.000 1.073 239 Y HN 0.711 nan 8.280 nan 0.000 0.552 240 S N 0.049 115.532 115.700 -0.361 0.000 3.460 240 S HA -0.222 4.248 4.470 0.000 0.000 0.637 240 S C -0.614 174.014 174.600 0.047 0.000 2.505 240 S CA 0.108 58.303 58.200 -0.008 0.000 2.686 240 S CB -1.112 62.259 63.200 0.285 0.000 0.330 240 S HN 0.486 nan 8.310 nan 0.000 1.795 241 D N 2.074 122.532 120.400 0.096 0.000 2.515 241 D HA 0.030 4.671 4.640 0.000 0.000 0.232 241 D C 1.512 177.846 176.300 0.057 0.000 1.157 241 D CA 0.917 54.959 54.000 0.071 0.000 0.871 241 D CB 0.142 40.989 40.800 0.078 0.000 1.200 241 D HN 0.729 nan 8.370 nan 0.000 0.466 242 E N -0.123 120.099 120.200 0.038 0.000 2.510 242 E HA -0.157 4.193 4.350 0.000 0.000 0.202 242 E C 0.971 177.590 176.600 0.031 0.000 1.072 242 E CA 0.705 57.120 56.400 0.026 0.000 0.883 242 E CB -0.069 29.638 29.700 0.011 0.000 0.818 242 E HN 0.325 nan 8.360 nan 0.000 0.548 243 S N 0.463 116.190 115.700 0.043 0.000 2.470 243 S HA -0.011 4.459 4.470 0.000 0.000 0.225 243 S C 0.877 175.511 174.600 0.058 0.000 1.006 243 S CA -0.348 57.879 58.200 0.045 0.000 0.934 243 S CB -0.212 63.017 63.200 0.047 0.000 0.778 243 S HN 0.273 nan 8.310 nan 0.000 0.517 244 L N 2.986 124.254 121.223 0.074 0.000 2.500 244 L HA 0.219 4.559 4.340 0.000 0.000 0.272 244 L C 1.463 178.383 176.870 0.083 0.000 1.149 244 L CA 0.218 55.116 54.840 0.097 0.000 0.897 244 L CB 0.443 42.575 42.059 0.121 0.000 1.178 244 L HN 0.281 nan 8.230 nan 0.000 0.473 245 Q N 3.964 123.821 119.800 0.095 0.000 2.123 245 Q HA -0.090 4.250 4.340 0.000 0.000 0.199 245 Q C -0.561 175.400 176.000 -0.066 0.000 0.966 245 Q CA 1.294 57.108 55.803 0.019 0.000 0.845 245 Q CB 0.151 28.928 28.738 0.065 0.000 0.907 245 Q HN 0.680 nan 8.270 nan 0.000 0.439 246 Y N 1.436 121.760 120.300 0.039 0.000 2.328 246 Y HA 0.375 4.925 4.550 0.000 0.000 0.333 246 Y C -2.070 173.850 175.900 0.033 0.000 0.958 246 Y CA -3.036 55.084 58.100 0.033 0.000 1.167 246 Y CB 1.285 39.757 38.460 0.021 0.000 1.151 246 Y HN 0.165 nan 8.280 nan 0.000 0.470 247 P HA -0.013 nan 4.420 nan 0.000 0.265 247 P C -0.401 176.924 177.300 0.042 0.000 1.187 247 P CA -0.086 63.036 63.100 0.037 0.000 0.766 247 P CB 1.092 32.730 31.700 -0.104 0.000 0.820 248 K N 1.500 121.935 120.400 0.058 0.000 2.140 248 K HA 0.417 4.737 4.320 0.000 0.000 0.237 248 K C 0.304 176.916 176.600 0.021 0.000 1.045 248 K CA -0.022 56.308 56.287 0.071 0.000 0.896 248 K CB 0.116 32.686 32.500 0.118 0.000 1.122 248 K HN 0.394 nan 8.250 nan 0.000 0.503 249 T N 0.441 115.008 114.554 0.022 0.000 2.991 249 T HA 0.307 4.657 4.350 0.000 0.000 0.303 249 T C -0.912 173.777 174.700 -0.018 0.000 1.015 249 T CA -0.664 61.428 62.100 -0.013 0.000 1.007 249 T CB 1.527 70.400 68.868 0.009 0.000 1.034 249 T HN 0.153 nan 8.240 nan 0.000 0.446 250 V N 5.078 124.851 119.914 -0.236 0.000 2.398 250 V HA 0.607 4.727 4.120 0.000 0.000 0.286 250 V C -0.401 175.534 176.094 -0.265 0.000 1.026 250 V CA -0.918 61.166 62.300 -0.360 0.000 0.868 250 V CB 0.979 32.361 31.823 -0.736 0.000 0.982 250 V HN 0.808 nan 8.190 nan 0.000 0.443 251 W N 4.867 126.044 121.300 -0.205 0.000 2.627 251 W HA 0.888 5.548 4.660 0.000 0.000 0.339 251 W C -1.238 175.253 176.519 -0.047 0.000 1.058 251 W CA -1.747 55.511 57.345 -0.144 0.000 1.223 251 W CB 1.041 30.449 29.460 -0.087 0.000 1.389 251 W HN 0.344 nan 8.180 nan 0.000 0.541 252 I N 3.527 124.158 120.570 0.101 0.000 2.571 252 I HA 0.203 4.373 4.170 0.000 0.000 0.289 252 I C -2.334 173.858 176.117 0.125 0.000 1.115 252 I CA -2.331 59.005 61.300 0.059 0.000 1.045 252 I CB 3.072 40.997 38.000 -0.124 0.000 1.238 252 I HN -0.020 nan 8.210 nan 0.000 0.424 253 P HA 0.041 nan 4.420 nan 0.000 0.274 253 P C -1.432 175.957 177.300 0.149 0.000 1.291 253 P CA 0.287 63.508 63.100 0.202 0.000 0.815 253 P CB -0.036 31.817 31.700 0.255 0.000 0.897 254 Y N 7.012 127.280 120.300 -0.052 0.000 2.326 254 Y HA 0.409 4.959 4.550 0.000 0.000 0.329 254 Y C -2.393 173.484 175.900 -0.038 0.000 0.973 254 Y CA -2.755 55.266 58.100 -0.132 0.000 1.162 254 Y CB 2.380 40.664 38.460 -0.294 0.000 1.147 254 Y HN 0.248 nan 8.280 nan 0.000 0.456 255 P HA 0.235 nan 4.420 nan 0.000 0.291 255 P C -1.241 176.090 177.300 0.051 0.000 1.378 255 P CA -0.352 62.770 63.100 0.037 0.000 0.853 255 P CB 1.334 33.043 31.700 0.015 0.000 1.002 256 K N 2.010 122.544 120.400 0.223 0.000 2.120 256 K HA 0.476 4.796 4.320 0.000 0.000 0.245 256 K C 0.647 177.358 176.600 0.186 0.000 1.024 256 K CA -0.666 55.784 56.287 0.271 0.000 0.906 256 K CB 0.480 33.169 32.500 0.314 0.000 1.051 256 K HN 0.445 nan 8.250 nan 0.000 0.491 257 A N 0.830 123.791 122.820 0.236 0.000 2.591 257 A HA 0.207 4.527 4.320 0.000 0.000 0.244 257 A C 1.318 178.954 177.584 0.085 0.000 1.031 257 A CA 1.110 53.269 52.037 0.203 0.000 0.767 257 A CB -1.258 17.950 19.000 0.346 0.000 0.942 257 A HN 0.921 nan 8.150 nan 0.000 0.514 258 G N 1.219 110.053 108.800 0.057 0.000 2.284 258 G HA2 0.059 4.019 3.960 0.000 0.000 0.261 258 G HA3 0.059 4.019 3.960 0.000 0.000 0.261 258 G C 0.840 175.754 174.900 0.023 0.000 0.997 258 G CA 0.945 46.051 45.100 0.010 0.000 0.621 258 G HN 2.326 nan 8.290 nan 0.000 0.534 259 A N -0.120 122.729 122.820 0.049 0.000 2.366 259 A HA 0.610 4.930 4.320 0.000 0.000 0.250 259 A C 0.958 178.565 177.584 0.040 0.000 1.099 259 A CA 0.526 52.593 52.037 0.050 0.000 0.794 259 A CB 0.512 19.558 19.000 0.077 0.000 1.056 259 A HN 1.220 nan 8.150 nan 0.000 0.499 260 V N 2.600 122.537 119.914 0.038 0.000 2.529 260 V HA 0.023 4.143 4.120 0.000 0.000 0.292 260 V C 0.371 176.490 176.094 0.041 0.000 1.028 260 V CA 0.026 62.345 62.300 0.032 0.000 1.074 260 V CB 0.100 31.944 31.823 0.035 0.000 0.958 260 V HN 0.868 nan 8.190 nan 0.000 0.481 261 N N 6.759 125.473 118.700 0.023 0.000 2.458 261 N HA 0.506 5.246 4.740 0.000 0.000 0.271 261 N C -2.320 173.233 175.510 0.072 0.000 1.210 261 N CA -1.320 51.754 53.050 0.041 0.000 0.978 261 N CB 1.118 39.598 38.487 -0.012 0.000 1.206 261 N HN 0.394 nan 8.380 nan 0.000 0.536 262 P HA 0.124 nan 4.420 nan 0.000 0.274 262 P C -0.506 176.901 177.300 0.178 0.000 1.256 262 P CA -0.102 63.105 63.100 0.179 0.000 0.795 262 P CB 0.382 32.215 31.700 0.221 0.000 1.038 263 T N -2.628 112.034 114.554 0.180 0.000 2.932 263 T HA 0.638 4.988 4.350 0.000 0.000 0.289 263 T C -0.049 174.742 174.700 0.153 0.000 1.039 263 T CA -0.695 61.474 62.100 0.116 0.000 1.024 263 T CB 1.018 69.928 68.868 0.072 0.000 1.090 263 T HN 0.217 nan 8.240 nan 0.000 0.496 264 V N 0.309 120.273 119.914 0.085 0.000 3.113 264 V HA 0.803 4.923 4.120 0.000 0.000 0.316 264 V C -0.354 175.741 176.094 0.002 0.000 1.125 264 V CA -1.163 61.140 62.300 0.005 0.000 1.026 264 V CB 1.794 33.692 31.823 0.126 0.000 1.080 264 V HN 1.016 nan 8.190 nan 0.000 0.444 265 K N 0.881 121.213 120.400 -0.112 0.000 2.569 265 K HA 0.491 4.811 4.320 0.000 0.000 0.259 265 K C -2.172 174.196 176.600 -0.388 0.000 0.932 265 K CA -0.438 55.716 56.287 -0.222 0.000 0.833 265 K CB 2.625 34.989 32.500 -0.226 0.000 1.340 265 K HN 0.571 nan 8.250 nan 0.000 0.429 266 F N 3.644 123.208 119.950 -0.645 0.000 2.467 266 F HA 0.577 5.104 4.527 0.000 0.000 0.336 266 F C -1.281 173.928 175.800 -0.985 0.000 1.123 266 F CA -0.487 57.134 58.000 -0.632 0.000 0.964 266 F CB 0.695 39.522 39.000 -0.288 0.000 1.136 266 F HN 0.370 nan 8.300 nan 0.000 0.447 267 F N 5.421 124.686 119.950 -1.142 0.000 2.611 267 F HA 0.710 5.237 4.527 0.000 0.000 0.324 267 F C -0.647 174.500 175.800 -1.087 0.000 1.061 267 F CA -1.044 56.349 58.000 -1.012 0.000 0.954 267 F CB 1.976 40.244 39.000 -1.220 0.000 1.301 267 F HN 0.089 nan 8.300 nan 0.000 0.482 268 I N 2.432 122.786 120.570 -0.360 0.000 2.529 268 I HA 0.317 4.487 4.170 0.000 0.000 0.284 268 I C -1.401 174.770 176.117 0.090 0.000 1.088 268 I CA -0.699 60.474 61.300 -0.211 0.000 1.062 268 I CB 1.954 39.680 38.000 -0.455 0.000 1.218 268 I HN 0.279 nan 8.210 nan 0.000 0.442 269 V N 6.410 126.435 119.914 0.185 0.000 2.547 269 V HA 0.420 4.540 4.120 0.000 0.000 0.299 269 V C -0.140 176.122 176.094 0.281 0.000 1.040 269 V CA -0.451 61.983 62.300 0.224 0.000 0.913 269 V CB 2.015 33.940 31.823 0.170 0.000 0.992 269 V HN 0.763 nan 8.190 nan 0.000 0.449 270 N N 4.144 123.005 118.700 0.269 0.000 2.402 270 N HA 0.109 4.849 4.740 0.000 0.000 0.252 270 N C 0.936 176.467 175.510 0.035 0.000 1.118 270 N CA 0.466 53.621 53.050 0.174 0.000 0.945 270 N CB 1.493 40.074 38.487 0.157 0.000 1.147 270 N HN 0.799 nan 8.380 nan 0.000 0.495 271 T N 2.251 116.806 114.554 0.002 0.000 2.788 271 T HA -0.114 4.236 4.350 0.000 0.000 0.268 271 T C 0.719 175.393 174.700 -0.043 0.000 1.044 271 T CA 1.120 63.228 62.100 0.014 0.000 1.139 271 T CB 0.045 69.003 68.868 0.150 0.000 0.867 271 T HN 0.543 nan 8.240 nan 0.000 0.454 272 D N 1.263 121.612 120.400 -0.084 0.000 2.218 272 D HA -0.071 4.569 4.640 0.000 0.000 0.204 272 D C 2.435 178.692 176.300 -0.071 0.000 0.976 272 D CA 1.318 55.267 54.000 -0.086 0.000 0.853 272 D CB -0.358 40.377 40.800 -0.108 0.000 0.939 272 D HN 0.541 nan 8.370 nan 0.000 0.481 273 S N 0.571 116.237 115.700 -0.056 0.000 2.414 273 S HA -0.047 4.423 4.470 0.000 0.000 0.227 273 S C 2.262 176.817 174.600 -0.076 0.000 1.022 273 S CA 0.074 58.250 58.200 -0.041 0.000 0.958 273 S CB -0.647 62.550 63.200 -0.004 0.000 0.797 273 S HN 0.228 nan 8.310 nan 0.000 0.493 274 L N 2.432 123.572 121.223 -0.139 0.000 2.095 274 L HA -0.299 4.041 4.340 0.000 0.000 0.229 274 L C 3.005 179.711 176.870 -0.274 0.000 1.097 274 L CA 2.059 56.726 54.840 -0.289 0.000 0.813 274 L CB -1.698 40.011 42.059 -0.582 0.000 0.907 274 L HN 0.642 nan 8.230 nan 0.000 0.445 275 S N -1.084 114.491 115.700 -0.208 0.000 2.469 275 S HA -0.113 4.357 4.470 0.000 0.000 0.238 275 S C 1.589 176.201 174.600 0.019 0.000 0.998 275 S CA 1.031 59.204 58.200 -0.046 0.000 0.957 275 S CB -0.397 62.789 63.200 -0.025 0.000 0.764 275 S HN 0.594 nan 8.310 nan 0.000 0.514 276 S N -0.005 115.695 115.700 -0.000 0.000 2.601 276 S HA 0.432 4.902 4.470 0.000 0.000 0.244 276 S C 0.059 174.674 174.600 0.025 0.000 1.001 276 S CA -0.507 57.703 58.200 0.017 0.000 0.984 276 S CB 0.056 63.261 63.200 0.009 0.000 0.842 276 S HN 0.436 nan 8.310 nan 0.000 0.474 277 T N 0.359 114.935 114.554 0.037 0.000 2.821 277 T HA 0.419 4.769 4.350 0.000 0.000 0.306 277 T C 0.917 175.658 174.700 0.067 0.000 1.313 277 T CA -0.238 61.886 62.100 0.041 0.000 1.012 277 T CB 1.468 70.353 68.868 0.029 0.000 1.298 277 T HN 0.168 nan 8.240 nan 0.000 0.502 278 T N -1.706 112.879 114.554 0.052 0.000 3.044 278 T HA 0.250 4.600 4.350 0.000 0.000 0.255 278 T C 0.591 175.321 174.700 0.050 0.000 1.073 278 T CA 0.413 62.545 62.100 0.053 0.000 1.125 278 T CB 0.002 68.887 68.868 0.029 0.000 0.908 278 T HN 0.648 nan 8.240 nan 0.000 0.480 279 T N 1.228 115.802 114.554 0.032 0.000 2.916 279 T HA 0.577 4.927 4.350 0.000 0.000 0.305 279 T C -1.075 173.632 174.700 0.011 0.000 1.119 279 T CA -0.677 61.431 62.100 0.013 0.000 1.008 279 T CB 2.201 71.066 68.868 -0.006 0.000 1.129 279 T HN 0.080 nan 8.240 nan 0.000 0.480 280 T N 1.844 116.398 114.554 0.000 0.000 2.918 280 T HA 0.634 4.984 4.350 0.000 0.000 0.286 280 T C -0.215 174.491 174.700 0.009 0.000 1.026 280 T CA -0.626 61.481 62.100 0.012 0.000 1.031 280 T CB 0.777 69.653 68.868 0.013 0.000 1.046 280 T HN 0.446 nan 8.240 nan 0.000 0.479 281 I N 4.578 125.169 120.570 0.035 0.000 2.337 281 I HA 0.267 4.437 4.170 0.000 0.000 0.285 281 I C -1.804 174.354 176.117 0.070 0.000 1.041 281 I CA -2.151 59.169 61.300 0.033 0.000 1.199 281 I CB 1.273 39.298 38.000 0.042 0.000 1.370 281 I HN 0.364 nan 8.210 nan 0.000 0.470 282 P HA 0.094 nan 4.420 nan 0.000 0.269 282 P C -0.851 176.546 177.300 0.160 0.000 1.209 282 P CA -0.106 63.052 63.100 0.096 0.000 0.776 282 P CB 0.707 32.421 31.700 0.024 0.000 0.876 283 M N 0.966 120.705 119.600 0.232 0.000 2.318 283 M HA 0.435 4.915 4.480 0.000 0.000 0.347 283 M C 0.187 176.647 176.300 0.266 0.000 1.175 283 M CA -0.800 54.665 55.300 0.275 0.000 1.075 283 M CB 1.390 34.218 32.600 0.380 0.000 1.614 283 M HN 0.335 nan 8.290 nan 0.000 0.456 284 Q N 2.694 122.639 119.800 0.240 0.000 2.245 284 Q HA 0.685 5.025 4.340 0.000 0.000 0.256 284 Q C -1.778 174.213 176.000 -0.014 0.000 0.942 284 Q CA -0.577 55.239 55.803 0.021 0.000 0.896 284 Q CB 1.726 30.465 28.738 0.001 0.000 1.272 284 Q HN 0.864 nan 8.270 nan 0.000 0.442 285 I N 2.893 123.418 120.570 -0.074 0.000 2.412 285 I HA 0.339 4.510 4.170 0.000 0.000 0.296 285 I C -0.355 175.728 176.117 -0.056 0.000 0.987 285 I CA -0.899 60.403 61.300 0.002 0.000 1.180 285 I CB 2.067 40.101 38.000 0.057 0.000 1.340 285 I HN 0.738 nan 8.210 nan 0.000 0.455 286 T N 2.712 117.206 114.554 -0.101 0.000 2.770 286 T HA 0.694 5.044 4.350 0.000 0.000 0.283 286 T C 0.095 174.558 174.700 -0.394 0.000 0.988 286 T CA -0.842 61.134 62.100 -0.207 0.000 0.957 286 T CB 1.517 70.288 68.868 -0.162 0.000 0.930 286 T HN 0.702 nan 8.240 nan 0.000 0.443 287 A N 5.456 127.802 122.820 -0.790 0.000 2.615 287 A HA 0.358 4.678 4.320 0.000 0.000 0.230 287 A C -1.631 175.467 177.584 -0.810 0.000 1.062 287 A CA -0.783 50.369 52.037 -1.475 0.000 0.758 287 A CB -0.759 16.983 19.000 -2.097 0.000 0.995 287 A HN 0.777 nan 8.150 nan 0.000 0.511 288 P HA 0.144 nan 4.420 nan 0.000 0.268 288 P C 0.870 177.979 177.300 -0.320 0.000 1.205 288 P CA 0.642 63.526 63.100 -0.361 0.000 0.771 288 P CB 0.779 32.346 31.700 -0.221 0.000 0.858 289 A N 3.974 126.662 122.820 -0.221 0.000 1.915 289 A HA -0.251 4.070 4.320 0.000 0.000 0.220 289 A C 2.028 179.502 177.584 -0.182 0.000 1.198 289 A CA 2.672 54.595 52.037 -0.189 0.000 0.647 289 A CB -1.866 17.056 19.000 -0.130 0.000 0.825 289 A HN 0.677 nan 8.150 nan 0.000 0.456 290 S N -1.356 114.266 115.700 -0.130 0.000 2.711 290 S HA 0.156 4.626 4.470 0.000 0.000 0.237 290 S C 0.905 175.410 174.600 -0.159 0.000 0.971 290 S CA 0.979 59.102 58.200 -0.127 0.000 0.964 290 S CB -0.041 63.157 63.200 -0.003 0.000 0.775 290 S HN 0.361 nan 8.310 nan 0.000 0.540 291 V N -0.071 119.712 119.914 -0.218 0.000 3.368 291 V HA 0.043 4.163 4.120 0.000 0.000 0.255 291 V C 1.901 177.697 176.094 -0.498 0.000 1.466 291 V CA 0.876 63.012 62.300 -0.273 0.000 1.095 291 V CB -0.101 31.561 31.823 -0.269 0.000 0.899 291 V HN 0.492 nan 8.190 nan 0.000 0.440 292 T N 0.287 114.547 114.554 -0.490 0.000 3.072 292 T HA -0.107 4.243 4.350 0.000 0.000 0.266 292 T C 1.799 176.373 174.700 -0.210 0.000 1.127 292 T CA 1.592 63.428 62.100 -0.440 0.000 1.107 292 T CB -0.208 68.461 68.868 -0.331 0.000 0.910 292 T HN 0.499 nan 8.240 nan 0.000 0.513 293 T N 0.768 115.219 114.554 -0.171 0.000 2.788 293 T HA 0.178 4.528 4.350 0.000 0.000 0.268 293 T C 1.216 175.883 174.700 -0.056 0.000 1.044 293 T CA 1.071 63.109 62.100 -0.103 0.000 1.139 293 T CB -0.139 68.665 68.868 -0.107 0.000 0.867 293 T HN 0.587 nan 8.240 nan 0.000 0.454 294 G N 0.007 108.789 108.800 -0.031 0.000 2.827 294 G HA2 0.475 4.435 3.960 0.000 0.000 0.296 294 G HA3 0.475 4.435 3.960 0.000 0.000 0.296 294 G C -1.852 173.112 174.900 0.107 0.000 1.362 294 G CA -0.828 44.281 45.100 0.016 0.000 0.809 294 G HN -0.005 nan 8.290 nan 0.000 0.522 295 D N 1.317 121.739 120.400 0.037 0.000 2.601 295 D HA 0.241 4.881 4.640 0.000 0.000 0.229 295 D C 0.286 176.583 176.300 -0.006 0.000 1.140 295 D CA 1.189 55.164 54.000 -0.042 0.000 0.862 295 D CB 0.216 40.938 40.800 -0.129 0.000 1.192 295 D HN 0.598 nan 8.370 nan 0.000 0.480 296 H N -0.995 117.930 119.070 -0.241 0.000 2.932 296 H HA 0.391 4.947 4.556 0.000 0.000 0.307 296 H C -1.492 173.733 175.328 -0.171 0.000 1.391 296 H CA -0.808 55.135 56.048 -0.174 0.000 1.130 296 H CB 0.275 30.049 29.762 0.020 0.000 1.836 296 H HN 0.335 nan 8.280 nan 0.000 0.522 297 Y N -0.037 120.428 120.300 0.275 0.000 2.605 297 Y HA 0.456 5.006 4.550 0.000 0.000 0.343 297 Y C -0.397 175.739 175.900 0.394 0.000 1.036 297 Y CA -1.277 56.992 58.100 0.283 0.000 1.065 297 Y CB 1.625 40.104 38.460 0.031 0.000 1.288 297 Y HN 0.493 nan 8.280 nan 0.000 0.481 298 L N 0.959 122.499 121.223 0.530 0.000 2.260 298 L HA 0.407 4.747 4.340 0.000 0.000 0.289 298 L C 0.023 176.832 176.870 -0.101 0.000 1.057 298 L CA 0.133 54.960 54.840 -0.022 0.000 0.811 298 L CB 0.619 42.635 42.059 -0.072 0.000 1.184 298 L HN 1.002 nan 8.230 nan 0.000 0.429 299 C N 3.100 122.237 119.300 -0.270 0.000 2.518 299 C HA 0.141 4.601 4.460 0.000 0.000 0.279 299 C C 0.710 175.496 174.990 -0.340 0.000 1.279 299 C CA 0.636 59.471 59.018 -0.304 0.000 1.703 299 C CB -0.570 27.052 27.740 -0.197 0.000 2.072 299 C HN 0.962 nan 8.230 nan 0.000 0.487 300 D N -1.416 118.818 120.400 -0.276 0.000 2.663 300 D HA 0.311 4.951 4.640 0.000 0.000 0.233 300 D C -1.823 174.247 176.300 -0.383 0.000 1.240 300 D CA -0.078 53.847 54.000 -0.124 0.000 0.774 300 D CB 1.628 42.369 40.800 -0.098 0.000 1.443 300 D HN 0.081 nan 8.370 nan 0.000 0.441 301 V N 0.589 120.219 119.914 -0.474 0.000 2.555 301 V HA 0.874 4.994 4.120 0.000 0.000 0.302 301 V C -0.236 175.487 176.094 -0.618 0.000 1.038 301 V CA -0.476 61.276 62.300 -0.914 0.000 0.887 301 V CB 1.288 31.953 31.823 -1.929 0.000 0.991 301 V HN 0.826 nan 8.190 nan 0.000 0.434 302 A N 3.588 126.071 122.820 -0.562 0.000 2.497 302 A HA 0.584 4.904 4.320 0.000 0.000 0.280 302 A C -1.503 175.899 177.584 -0.303 0.000 1.065 302 A CA -0.575 51.290 52.037 -0.288 0.000 0.781 302 A CB 0.563 19.455 19.000 -0.180 0.000 1.289 302 A HN 0.780 nan 8.150 nan 0.000 0.415 303 W N 3.197 124.427 121.300 -0.118 0.000 2.446 303 W HA 0.349 5.009 4.660 0.000 0.000 0.316 303 W C 1.097 177.543 176.519 -0.122 0.000 1.376 303 W CA 0.179 57.471 57.345 -0.089 0.000 1.300 303 W CB 1.143 30.632 29.460 0.048 0.000 1.351 303 W HN 0.524 nan 8.180 nan 0.000 0.530 304 V N 2.736 122.629 119.914 -0.035 0.000 2.256 304 V HA -0.127 3.993 4.120 0.000 0.000 0.240 304 V C 1.220 177.357 176.094 0.071 0.000 1.036 304 V CA 2.047 64.219 62.300 -0.213 0.000 1.008 304 V CB -0.418 31.021 31.823 -0.641 0.000 0.648 304 V HN 0.629 nan 8.190 nan 0.000 0.453 305 S N -1.542 114.259 115.700 0.168 0.000 3.132 305 S HA 0.347 4.817 4.470 0.000 0.000 0.322 305 S C 0.474 175.259 174.600 0.309 0.000 1.124 305 S CA -0.329 57.994 58.200 0.205 0.000 0.906 305 S CB 1.669 64.971 63.200 0.171 0.000 1.349 305 S HN 0.242 nan 8.310 nan 0.000 0.686 306 E N -0.230 120.129 120.200 0.266 0.000 2.463 306 E HA 0.166 4.516 4.350 0.000 0.000 0.193 306 E C -0.476 176.435 176.600 0.519 0.000 1.041 306 E CA 0.098 56.685 56.400 0.311 0.000 0.879 306 E CB 0.132 29.936 29.700 0.173 0.000 0.997 306 E HN 0.489 nan 8.360 nan 0.000 0.478 307 D N 0.138 120.815 120.400 0.462 0.000 2.556 307 D HA 0.108 4.748 4.640 0.000 0.000 0.237 307 D C -0.309 176.255 176.300 0.439 0.000 1.296 307 D CA 0.019 54.274 54.000 0.424 0.000 0.807 307 D CB 0.855 41.819 40.800 0.273 0.000 1.084 307 D HN -0.047 nan 8.370 nan 0.000 0.510 308 R N 1.082 121.872 120.500 0.485 0.000 2.548 308 R HA 0.577 4.917 4.340 0.000 0.000 0.280 308 R C -1.875 174.510 176.300 0.142 0.000 1.061 308 R CA -0.514 55.757 56.100 0.285 0.000 0.915 308 R CB 1.942 32.301 30.300 0.098 0.000 1.210 308 R HN -0.023 nan 8.270 nan 0.000 0.442 309 I N 1.853 122.344 120.570 -0.133 0.000 2.828 309 I HA 0.450 4.620 4.170 0.000 0.000 0.302 309 I C -1.278 174.529 176.117 -0.515 0.000 1.101 309 I CA -0.550 60.419 61.300 -0.552 0.000 1.031 309 I CB 2.454 39.736 38.000 -1.196 0.000 1.231 309 I HN 0.675 nan 8.210 nan 0.000 0.427 310 S N 7.259 122.604 115.700 -0.591 0.000 2.498 310 S HA 0.682 5.152 4.470 0.000 0.000 0.317 310 S C -1.205 173.056 174.600 -0.565 0.000 1.090 310 S CA -0.603 57.304 58.200 -0.488 0.000 1.089 310 S CB 0.645 63.599 63.200 -0.410 0.000 0.997 310 S HN 0.504 nan 8.310 nan 0.000 0.470 311 L N 4.154 125.065 121.223 -0.521 0.000 2.346 311 L HA 0.605 4.945 4.340 0.000 0.000 0.274 311 L C -0.113 176.451 176.870 -0.510 0.000 1.007 311 L CA -0.704 53.724 54.840 -0.687 0.000 0.818 311 L CB 2.008 43.583 42.059 -0.806 0.000 1.284 311 L HN 0.567 nan 8.230 nan 0.000 0.424 312 Q N 1.865 121.293 119.800 -0.620 0.000 2.331 312 Q HA 0.396 4.736 4.340 0.000 0.000 0.267 312 Q C -1.709 174.003 176.000 -0.479 0.000 1.006 312 Q CA -0.530 55.047 55.803 -0.376 0.000 0.818 312 Q CB 2.618 31.199 28.738 -0.261 0.000 1.276 312 Q HN 0.472 nan 8.270 nan 0.000 0.450 313 W N 2.129 123.383 121.300 -0.077 0.000 2.706 313 W HA 0.634 5.294 4.660 0.000 0.000 0.346 313 W C -0.755 175.798 176.519 0.057 0.000 1.071 313 W CA -0.606 56.746 57.345 0.012 0.000 1.206 313 W CB 1.146 30.613 29.460 0.012 0.000 1.413 313 W HN 0.372 nan 8.180 nan 0.000 0.542 314 L N 2.014 123.481 121.223 0.408 0.000 2.422 314 L HA 0.551 4.891 4.340 0.000 0.000 0.264 314 L C -0.161 176.952 176.870 0.405 0.000 0.984 314 L CA -1.184 53.851 54.840 0.325 0.000 0.819 314 L CB 1.660 43.850 42.059 0.218 0.000 1.330 314 L HN 0.397 nan 8.230 nan 0.000 0.410 315 R N 1.823 122.521 120.500 0.331 0.000 2.615 315 R HA 0.277 4.617 4.340 0.000 0.000 0.270 315 R C 0.963 177.415 176.300 0.253 0.000 1.081 315 R CA -0.311 55.941 56.100 0.253 0.000 1.154 315 R CB 0.630 31.036 30.300 0.178 0.000 1.063 315 R HN 0.600 nan 8.270 nan 0.000 0.519 316 R N 1.106 121.673 120.500 0.111 0.000 2.117 316 R HA -0.083 4.257 4.340 0.000 0.000 0.243 316 R C 0.359 176.773 176.300 0.191 0.000 1.143 316 R CA 1.270 57.426 56.100 0.093 0.000 0.968 316 R CB 0.169 30.427 30.300 -0.069 0.000 0.863 316 R HN 0.369 nan 8.270 nan 0.000 0.444 317 I N 2.672 123.310 120.570 0.113 0.000 2.287 317 I HA 0.039 4.209 4.170 0.000 0.000 0.290 317 I C 0.150 176.325 176.117 0.098 0.000 1.069 317 I CA 0.118 61.463 61.300 0.075 0.000 1.237 317 I CB 1.097 39.123 38.000 0.043 0.000 1.418 317 I HN 0.287 nan 8.210 nan 0.000 0.481 318 Q N 3.465 123.309 119.800 0.074 0.000 2.401 318 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 318 Q C 1.395 177.448 176.000 0.089 0.000 0.914 318 Q CA 0.206 56.055 55.803 0.077 0.000 1.006 318 Q CB -0.491 28.241 28.738 -0.010 0.000 1.041 318 Q HN 0.584 nan 8.270 nan 0.000 0.501 319 N N -0.470 118.287 118.700 0.096 0.000 2.171 319 N HA -0.121 4.619 4.740 0.000 0.000 0.184 319 N C -0.299 175.301 175.510 0.150 0.000 1.021 319 N CA 0.383 53.485 53.050 0.087 0.000 0.854 319 N CB 0.325 38.858 38.487 0.077 0.000 0.994 319 N HN 0.240 nan 8.380 nan 0.000 0.426 320 Y N -0.018 120.297 120.300 0.026 0.000 2.468 320 Y HA 0.478 5.028 4.550 0.000 0.000 0.342 320 Y C -0.915 175.017 175.900 0.053 0.000 1.021 320 Y CA -0.708 57.411 58.100 0.032 0.000 1.079 320 Y CB 1.849 40.324 38.460 0.025 0.000 1.226 320 Y HN -0.253 nan 8.280 nan 0.000 0.460 321 S N 3.709 119.207 115.700 -0.337 0.000 2.536 321 S HA 0.807 5.277 4.470 0.000 0.000 0.271 321 S C -2.303 172.088 174.600 -0.350 0.000 1.134 321 S CA -0.537 57.552 58.200 -0.185 0.000 0.897 321 S CB 1.213 64.362 63.200 -0.085 0.000 1.094 321 S HN 0.524 nan 8.310 nan 0.000 0.473 322 V N 5.035 124.896 119.914 -0.089 0.000 2.709 322 V HA 0.583 4.703 4.120 0.000 0.000 0.308 322 V C -0.474 175.653 176.094 0.054 0.000 1.062 322 V CA -0.619 61.656 62.300 -0.041 0.000 0.901 322 V CB 1.957 33.811 31.823 0.051 0.000 1.003 322 V HN 0.936 nan 8.190 nan 0.000 0.425 323 M N 4.943 124.551 119.600 0.013 0.000 2.027 323 M HA 0.717 5.197 4.480 0.000 0.000 0.329 323 M C -0.244 176.071 176.300 0.024 0.000 0.971 323 M CA -0.462 54.823 55.300 -0.024 0.000 0.933 323 M CB 0.889 33.410 32.600 -0.132 0.000 1.392 323 M HN 0.789 nan 8.290 nan 0.000 0.394 324 A N 5.502 128.349 122.820 0.045 0.000 2.316 324 A HA 0.733 5.053 4.320 0.000 0.000 0.284 324 A C -0.607 176.954 177.584 -0.038 0.000 1.115 324 A CA -0.574 51.479 52.037 0.025 0.000 0.812 324 A CB 0.539 19.563 19.000 0.039 0.000 1.064 324 A HN 0.912 nan 8.150 nan 0.000 0.489 325 I N 1.071 121.637 120.570 -0.007 0.000 2.378 325 I HA 0.321 4.491 4.170 0.000 0.000 0.291 325 I C -0.753 175.353 176.117 -0.017 0.000 0.992 325 I CA -0.344 60.933 61.300 -0.038 0.000 1.154 325 I CB 1.550 39.585 38.000 0.058 0.000 1.315 325 I HN 0.542 nan 8.210 nan 0.000 0.448 326 c N 4.034 122.615 118.600 -0.032 0.000 2.507 326 c HA 0.512 5.082 4.570 0.000 0.000 0.319 326 c C -0.415 173.799 174.090 0.208 0.000 1.208 326 c CA -0.832 55.545 56.329 0.081 0.000 1.619 326 c CB 1.425 43.987 42.510 0.087 0.000 2.230 326 c HN 0.623 nan 8.230 nan 0.000 0.492 327 D N 0.378 120.895 120.400 0.195 0.000 2.248 327 D HA 0.229 4.869 4.640 0.000 0.000 0.246 327 D C -1.102 175.171 176.300 -0.045 0.000 1.027 327 D CA -0.195 53.888 54.000 0.137 0.000 0.853 327 D CB 1.882 42.708 40.800 0.043 0.000 1.243 327 D HN 0.623 nan 8.370 nan 0.000 0.462 328 Y N 1.937 121.931 120.300 -0.509 0.000 2.404 328 Y HA 0.081 4.631 4.550 0.000 0.000 0.344 328 Y C 0.012 175.601 175.900 -0.518 0.000 0.995 328 Y CA -0.538 56.880 58.100 -1.136 0.000 1.201 328 Y CB 0.557 38.084 38.460 -1.555 0.000 1.151 328 Y HN 0.162 nan 8.280 nan 0.000 0.517 329 D N 6.076 125.847 120.400 -1.049 0.000 2.325 329 D HA 0.068 4.708 4.640 0.000 0.000 0.251 329 D C 0.316 176.019 176.300 -0.995 0.000 1.196 329 D CA 0.044 53.605 54.000 -0.731 0.000 0.866 329 D CB 1.109 41.640 40.800 -0.449 0.000 1.101 329 D HN 0.776 nan 8.370 nan 0.000 0.476 330 K N 1.837 121.884 120.400 -0.589 0.000 2.057 330 K HA -0.086 4.234 4.320 0.000 0.000 0.206 330 K C 1.856 178.325 176.600 -0.218 0.000 1.050 330 K CA 1.071 57.153 56.287 -0.343 0.000 0.935 330 K CB 0.074 32.514 32.500 -0.099 0.000 0.715 330 K HN 0.381 nan 8.250 nan 0.000 0.439 331 T N 0.881 115.322 114.554 -0.189 0.000 2.564 331 T HA -0.110 4.240 4.350 0.000 0.000 0.259 331 T C 1.769 176.403 174.700 -0.110 0.000 1.087 331 T CA 1.901 63.932 62.100 -0.116 0.000 1.184 331 T CB -0.316 68.495 68.868 -0.096 0.000 0.864 331 T HN 0.247 nan 8.240 nan 0.000 0.403 332 T N 2.144 116.614 114.554 -0.139 0.000 3.148 332 T HA 0.277 4.627 4.350 0.000 0.000 0.253 332 T C 0.668 175.307 174.700 -0.102 0.000 1.134 332 T CA -0.055 61.986 62.100 -0.099 0.000 1.051 332 T CB -0.666 68.150 68.868 -0.088 0.000 0.959 332 T HN 0.391 nan 8.240 nan 0.000 0.525 333 L N 0.727 121.836 121.223 -0.190 0.000 3.823 333 L HA -0.151 4.189 4.340 0.000 0.000 0.525 333 L C -0.703 176.145 176.870 -0.036 0.000 1.247 333 L CA -0.290 54.482 54.840 -0.114 0.000 0.776 333 L CB -2.022 40.104 42.059 0.111 0.000 1.443 333 L HN 0.113 nan 8.230 nan 0.000 0.831 334 V N -1.507 118.259 119.914 -0.247 0.000 3.178 334 V HA 0.513 4.633 4.120 0.000 0.000 0.302 334 V C -0.538 175.414 176.094 -0.237 0.000 1.262 334 V CA -0.899 61.358 62.300 -0.071 0.000 1.030 334 V CB 2.173 33.979 31.823 -0.029 0.000 1.074 334 V HN 0.293 nan 8.190 nan 0.000 0.438 335 W N 1.817 123.149 121.300 0.054 0.000 2.417 335 W HA 0.617 5.277 4.660 0.000 0.000 0.317 335 W C 0.129 176.639 176.519 -0.016 0.000 1.121 335 W CA -0.280 57.085 57.345 0.033 0.000 1.208 335 W CB 0.861 30.338 29.460 0.029 0.000 1.253 335 W HN 0.414 nan 8.180 nan 0.000 0.533 336 N N 1.995 120.775 118.700 0.132 0.000 2.321 336 N HA 0.390 5.130 4.740 0.000 0.000 0.299 336 N C -1.379 174.172 175.510 0.068 0.000 1.048 336 N CA -0.516 52.571 53.050 0.062 0.000 0.836 336 N CB 1.847 40.332 38.487 -0.003 0.000 1.269 336 N HN 0.302 nan 8.380 nan 0.000 0.486 337 c N 2.154 120.774 118.600 0.032 0.000 3.276 337 c HA 0.261 4.831 4.570 0.000 0.000 0.226 337 c C -2.019 172.063 174.090 -0.012 0.000 1.502 337 c CA -1.428 54.908 56.329 0.011 0.000 1.488 337 c CB -0.706 41.801 42.510 -0.006 0.000 2.014 337 c HN 0.526 nan 8.230 nan 0.000 0.492 338 P HA -0.014 nan 4.420 nan 0.000 0.261 338 P C 1.136 178.417 177.300 -0.030 0.000 1.173 338 P CA 1.008 64.096 63.100 -0.020 0.000 0.760 338 P CB 0.647 32.340 31.700 -0.012 0.000 0.783 339 T N -0.488 114.043 114.554 -0.037 0.000 2.946 339 T HA -0.146 4.204 4.350 0.000 0.000 0.271 339 T C 1.387 176.054 174.700 -0.055 0.000 1.104 339 T CA 1.713 63.787 62.100 -0.044 0.000 1.114 339 T CB -1.312 67.532 68.868 -0.039 0.000 0.867 339 T HN 0.418 nan 8.240 nan 0.000 0.513 340 T N 2.098 116.623 114.554 -0.048 0.000 2.962 340 T HA -0.042 4.308 4.350 0.000 0.000 0.270 340 T C 1.358 176.000 174.700 -0.097 0.000 1.088 340 T CA 0.865 62.931 62.100 -0.056 0.000 1.127 340 T CB -0.227 68.623 68.868 -0.030 0.000 0.883 340 T HN 0.615 nan 8.240 nan 0.000 0.493 341 Q N 0.014 119.761 119.800 -0.088 0.000 2.206 341 Q HA 0.287 4.627 4.340 0.000 0.000 0.265 341 Q C 1.032 176.942 176.000 -0.149 0.000 0.866 341 Q CA -0.233 55.504 55.803 -0.110 0.000 1.073 341 Q CB 0.630 29.378 28.738 0.015 0.000 1.165 341 Q HN 0.284 nan 8.270 nan 0.000 0.465 342 E N 0.565 120.649 120.200 -0.192 0.000 2.008 342 E HA -0.087 4.263 4.350 0.000 0.000 0.191 342 E C -0.526 176.047 176.600 -0.045 0.000 0.986 342 E CA 0.981 57.321 56.400 -0.100 0.000 0.807 342 E CB 0.295 29.957 29.700 -0.063 0.000 0.766 342 E HN 0.268 nan 8.360 nan 0.000 0.450 343 H N -0.946 118.134 119.070 0.016 0.000 3.897 343 H HA -0.144 4.412 4.556 0.000 0.000 0.298 343 H C -0.819 174.470 175.328 -0.066 0.000 0.767 343 H CA 0.908 56.952 56.048 -0.007 0.000 0.870 343 H CB -1.543 28.197 29.762 -0.037 0.000 1.357 343 H HN 0.174 nan 8.280 nan 0.000 0.324 344 I N 2.969 123.569 120.570 0.050 0.000 2.378 344 I HA 0.236 4.407 4.170 0.000 0.000 0.291 344 I C 0.632 176.687 176.117 -0.103 0.000 0.992 344 I CA -0.314 60.917 61.300 -0.116 0.000 1.154 344 I CB 2.085 40.005 38.000 -0.133 0.000 1.315 344 I HN 0.403 nan 8.210 nan 0.000 0.448 345 E N 4.026 124.112 120.200 -0.190 0.000 2.179 345 E HA 0.606 4.956 4.350 0.000 0.000 0.275 345 E C -1.199 175.312 176.600 -0.149 0.000 0.945 345 E CA -0.323 56.014 56.400 -0.106 0.000 0.792 345 E CB 1.843 31.498 29.700 -0.075 0.000 1.125 345 E HN 0.527 nan 8.360 nan 0.000 0.397 346 T N 1.518 116.036 114.554 -0.059 0.000 2.894 346 T HA 0.369 4.719 4.350 0.000 0.000 0.309 346 T C -1.663 173.030 174.700 -0.011 0.000 1.208 346 T CA -0.615 61.470 62.100 -0.025 0.000 1.016 346 T CB 1.677 70.555 68.868 0.018 0.000 1.192 346 T HN 0.280 nan 8.240 nan 0.000 0.491 347 S N 0.947 116.639 115.700 -0.012 0.000 2.707 347 S HA 0.640 5.110 4.470 0.000 0.000 0.303 347 S C 0.529 175.101 174.600 -0.046 0.000 1.132 347 S CA -0.177 57.996 58.200 -0.045 0.000 1.046 347 S CB 0.935 64.067 63.200 -0.113 0.000 1.004 347 S HN 0.846 nan 8.310 nan 0.000 0.483 348 A N 3.547 126.347 122.820 -0.033 0.000 2.275 348 A HA 0.244 4.564 4.320 0.000 0.000 0.212 348 A C 1.420 178.977 177.584 -0.045 0.000 1.201 348 A CA 0.714 52.735 52.037 -0.028 0.000 0.843 348 A CB -0.315 18.677 19.000 -0.012 0.000 0.873 348 A HN 0.765 nan 8.150 nan 0.000 0.492 349 T N -2.112 112.402 114.554 -0.068 0.000 3.018 349 T HA 0.445 4.796 4.350 0.000 0.000 0.246 349 T C 1.198 175.720 174.700 -0.298 0.000 1.026 349 T CA 0.822 62.883 62.100 -0.064 0.000 1.081 349 T CB 0.585 69.540 68.868 0.144 0.000 0.970 349 T HN 0.555 nan 8.240 nan 0.000 0.475 350 G N 0.538 108.962 108.800 -0.626 0.000 3.331 350 G HA2 0.459 4.419 3.960 0.000 0.000 0.153 350 G HA3 0.459 4.419 3.960 0.000 0.000 0.153 350 G C -1.645 173.007 174.900 -0.414 0.000 1.216 350 G CA -0.364 44.288 45.100 -0.748 0.000 1.426 350 G HN 0.440 nan 8.290 nan 0.000 0.705 351 W N -0.462 120.505 121.300 -0.556 0.000 2.762 351 W HA 0.751 5.411 4.660 0.000 0.000 0.355 351 W C -0.596 175.836 176.519 -0.146 0.000 1.124 351 W CA -1.431 55.740 57.345 -0.289 0.000 1.141 351 W CB 0.788 30.043 29.460 -0.341 0.000 1.432 351 W HN 0.401 nan 8.180 nan 0.000 0.586 352 C N 3.345 122.681 119.300 0.060 0.000 2.415 352 C HA 0.740 5.201 4.460 0.000 0.000 0.369 352 C C 1.075 176.109 174.990 0.073 0.000 1.279 352 C CA 1.208 60.232 59.018 0.009 0.000 1.886 352 C CB -0.832 26.917 27.740 0.015 0.000 2.468 352 C HN 1.193 nan 8.230 nan 0.000 0.553 353 G N 4.672 113.474 108.800 0.003 0.000 2.760 353 G HA2 -0.168 3.792 3.960 0.000 0.000 0.246 353 G HA3 -0.168 3.792 3.960 0.000 0.000 0.246 353 G C 0.484 175.441 174.900 0.094 0.000 1.359 353 G CA -0.266 44.865 45.100 0.052 0.000 0.861 353 G HN 0.708 nan 8.290 nan 0.000 0.541 354 R N -1.045 119.525 120.500 0.117 0.000 2.052 354 R HA 0.164 4.505 4.340 0.000 0.000 0.226 354 R C 1.910 178.183 176.300 -0.046 0.000 1.145 354 R CA 2.011 58.150 56.100 0.065 0.000 0.952 354 R CB -0.095 30.295 30.300 0.149 0.000 0.847 354 R HN 0.461 nan 8.270 nan 0.000 0.431 355 F N -0.387 119.692 119.950 0.215 0.000 2.798 355 F HA 0.277 4.804 4.527 0.000 0.000 0.328 355 F C 0.090 175.905 175.800 0.026 0.000 1.098 355 F CA -0.481 57.594 58.000 0.125 0.000 1.172 355 F CB 0.804 39.880 39.000 0.128 0.000 1.072 355 F HN -0.043 nan 8.300 nan 0.000 0.555 356 R N -1.993 118.618 120.500 0.185 0.000 3.343 356 R HA 0.248 4.588 4.340 0.000 0.000 0.282 356 R C -3.417 172.926 176.300 0.072 0.000 0.974 356 R CA -1.635 54.506 56.100 0.069 0.000 0.857 356 R CB -0.520 29.773 30.300 -0.010 0.000 1.322 356 R HN -0.350 nan 8.270 nan 0.000 0.537 357 P HA 0.024 nan 4.420 nan 0.000 0.264 357 P C -0.446 176.876 177.300 0.037 0.000 1.179 357 P CA 0.542 63.651 63.100 0.016 0.000 0.763 357 P CB 0.554 32.237 31.700 -0.028 0.000 0.806 358 A N 2.642 125.499 122.820 0.062 0.000 2.346 358 A HA 0.124 4.444 4.320 0.000 0.000 0.252 358 A C 0.403 178.036 177.584 0.082 0.000 1.089 358 A CA -0.239 51.858 52.037 0.101 0.000 0.797 358 A CB -0.093 18.983 19.000 0.126 0.000 1.047 358 A HN 0.584 nan 8.150 nan 0.000 0.494 359 E N 1.036 121.311 120.200 0.125 0.000 2.331 359 E HA 0.342 4.693 4.350 0.000 0.000 0.272 359 E C -2.278 174.396 176.600 0.123 0.000 1.036 359 E CA -1.877 54.568 56.400 0.075 0.000 0.864 359 E CB 0.760 30.496 29.700 0.059 0.000 1.035 359 E HN 0.474 nan 8.360 nan 0.000 0.408 360 P HA 0.143 nan 4.420 nan 0.000 0.281 360 P C -1.203 176.135 177.300 0.062 0.000 1.249 360 P CA -0.156 62.977 63.100 0.055 0.000 0.810 360 P CB 0.837 32.368 31.700 -0.283 0.000 1.008 361 H N 1.831 121.018 119.070 0.195 0.000 2.866 361 H HA 0.278 4.834 4.556 0.000 0.000 0.287 361 H C -0.247 175.268 175.328 0.311 0.000 1.106 361 H CA -0.344 55.869 56.048 0.274 0.000 1.396 361 H CB 0.208 30.115 29.762 0.242 0.000 1.469 361 H HN 0.291 nan 8.280 nan 0.000 0.500 362 F N 1.725 121.862 119.950 0.312 0.000 2.406 362 F HA 0.057 4.584 4.527 0.000 0.000 0.327 362 F C 1.756 177.745 175.800 0.314 0.000 1.153 362 F CA -0.220 57.975 58.000 0.326 0.000 1.218 362 F CB 0.879 39.997 39.000 0.196 0.000 1.215 362 F HN 0.349 nan 8.300 nan 0.000 0.570 363 T N -1.875 112.963 114.554 0.474 0.000 2.788 363 T HA 0.167 4.517 4.350 0.000 0.000 0.280 363 T C 1.219 176.104 174.700 0.308 0.000 0.984 363 T CA -0.440 61.874 62.100 0.357 0.000 0.972 363 T CB 1.024 70.075 68.868 0.305 0.000 1.039 363 T HN 0.483 nan 8.240 nan 0.000 0.530 364 S N 1.270 117.108 115.700 0.230 0.000 2.359 364 S HA -0.146 4.324 4.470 0.000 0.000 0.222 364 S C 1.728 176.440 174.600 0.186 0.000 1.038 364 S CA 1.667 59.980 58.200 0.188 0.000 1.051 364 S CB -0.708 62.578 63.200 0.144 0.000 0.944 364 S HN 0.976 nan 8.310 nan 0.000 0.433 365 D N 0.709 121.215 120.400 0.176 0.000 2.371 365 D HA 0.064 4.704 4.640 0.000 0.000 0.234 365 D C 1.155 177.576 176.300 0.202 0.000 1.049 365 D CA 0.788 54.886 54.000 0.163 0.000 0.907 365 D CB -0.991 39.892 40.800 0.137 0.000 0.891 365 D HN 0.471 nan 8.370 nan 0.000 0.531 366 G N 1.126 110.089 108.800 0.271 0.000 2.337 366 G HA2 -0.406 3.554 3.960 0.000 0.000 0.290 366 G HA3 -0.406 3.554 3.960 0.000 0.000 0.290 366 G C 1.114 176.264 174.900 0.416 0.000 1.003 366 G CA 1.152 46.482 45.100 0.384 0.000 0.825 366 G HN 0.583 nan 8.290 nan 0.000 0.509 367 S N -1.886 113.999 115.700 0.308 0.000 2.414 367 S HA 0.409 4.879 4.470 0.000 0.000 0.227 367 S C 1.103 175.850 174.600 0.246 0.000 1.022 367 S CA 1.235 59.581 58.200 0.243 0.000 0.958 367 S CB 0.322 63.618 63.200 0.160 0.000 0.797 367 S HN 0.876 nan 8.310 nan 0.000 0.493 368 S N 0.304 116.140 115.700 0.227 0.000 2.685 368 S HA 0.818 5.288 4.470 0.000 0.000 0.282 368 S C -1.124 173.470 174.600 -0.010 0.000 1.159 368 S CA -0.940 57.281 58.200 0.036 0.000 0.833 368 S CB 1.699 64.826 63.200 -0.122 0.000 1.151 368 S HN 0.622 nan 8.310 nan 0.000 0.485 369 F N -1.088 118.597 119.950 -0.441 0.000 2.678 369 F HA 0.780 5.307 4.527 0.000 0.000 0.308 369 F C -2.215 173.358 175.800 -0.379 0.000 1.118 369 F CA -1.323 56.359 58.000 -0.531 0.000 0.959 369 F CB 0.579 38.712 39.000 -1.445 0.000 1.305 369 F HN 0.473 nan 8.300 nan 0.000 0.443 370 Y N 1.463 121.803 120.300 0.066 0.000 2.387 370 Y HA 0.724 5.274 4.550 0.000 0.000 0.336 370 Y C -0.160 175.857 175.900 0.195 0.000 1.067 370 Y CA -1.093 57.028 58.100 0.035 0.000 1.114 370 Y CB 1.987 40.435 38.460 -0.021 0.000 1.208 370 Y HN 0.771 nan 8.280 nan 0.000 0.458 371 K N 2.644 123.221 120.400 0.295 0.000 2.542 371 K HA 0.517 4.837 4.320 0.000 0.000 0.259 371 K C -1.728 174.966 176.600 0.157 0.000 0.932 371 K CA -0.582 55.873 56.287 0.279 0.000 0.820 371 K CB 1.664 34.352 32.500 0.313 0.000 1.345 371 K HN 0.740 nan 8.250 nan 0.000 0.432 372 I N 4.770 125.416 120.570 0.126 0.000 2.379 372 I HA 0.180 4.350 4.170 0.000 0.000 0.290 372 I C 0.030 176.199 176.117 0.087 0.000 1.063 372 I CA -0.483 60.865 61.300 0.080 0.000 1.351 372 I CB 0.825 38.873 38.000 0.081 0.000 1.410 372 I HN 0.358 nan 8.210 nan 0.000 0.505 373 V N 1.920 121.887 119.914 0.088 0.000 3.049 373 V HA 0.518 4.638 4.120 0.000 0.000 0.309 373 V C -0.091 176.102 176.094 0.164 0.000 1.148 373 V CA -0.752 61.610 62.300 0.104 0.000 0.990 373 V CB 1.835 33.729 31.823 0.118 0.000 1.039 373 V HN 0.602 nan 8.190 nan 0.000 0.430 374 S N 2.713 118.451 115.700 0.062 0.000 2.549 374 S HA 0.309 4.779 4.470 0.000 0.000 0.283 374 S C -0.158 174.482 174.600 0.068 0.000 1.320 374 S CA 0.130 58.314 58.200 -0.026 0.000 1.058 374 S CB 0.221 63.339 63.200 -0.137 0.000 0.882 374 S HN 1.122 nan 8.310 nan 0.000 0.498 375 D N 1.568 121.871 120.400 -0.162 0.000 2.478 375 D HA 0.194 4.834 4.640 0.000 0.000 0.269 375 D C 0.995 177.122 176.300 -0.289 0.000 1.232 375 D CA -0.832 52.849 54.000 -0.532 0.000 1.059 375 D CB 0.296 40.440 40.800 -1.093 0.000 1.104 375 D HN 0.386 nan 8.370 nan 0.000 0.566 376 K N -1.050 119.163 120.400 -0.311 0.000 2.228 376 K HA -0.188 4.132 4.320 0.000 0.000 0.205 376 K C 0.268 176.791 176.600 -0.129 0.000 1.045 376 K CA 1.539 57.727 56.287 -0.165 0.000 0.931 376 K CB -0.047 32.364 32.500 -0.149 0.000 0.727 376 K HN 0.336 nan 8.250 nan 0.000 0.458 377 D N -1.316 119.006 120.400 -0.130 0.000 2.349 377 D HA 0.089 4.729 4.640 0.000 0.000 0.214 377 D C 0.713 176.982 176.300 -0.052 0.000 1.063 377 D CA 0.862 54.845 54.000 -0.029 0.000 0.847 377 D CB 0.898 41.733 40.800 0.058 0.000 0.933 377 D HN 0.430 nan 8.370 nan 0.000 0.513 378 G N 0.817 109.515 108.800 -0.169 0.000 2.132 378 G HA2 -0.270 3.690 3.960 0.000 0.000 0.228 378 G HA3 -0.270 3.690 3.960 0.000 0.000 0.228 378 G C -0.438 174.131 174.900 -0.553 0.000 1.000 378 G CA -0.440 44.453 45.100 -0.345 0.000 0.693 378 G HN 0.265 nan 8.290 nan 0.000 0.515 379 Y N -0.006 120.044 120.300 -0.416 0.000 2.334 379 Y HA 0.587 5.137 4.550 0.000 0.000 0.336 379 Y C 0.707 176.229 175.900 -0.630 0.000 0.960 379 Y CA -1.180 56.574 58.100 -0.576 0.000 1.164 379 Y CB 1.487 39.475 38.460 -0.787 0.000 1.155 379 Y HN -0.000 nan 8.280 nan 0.000 0.478 380 K N 3.663 123.841 120.400 -0.369 0.000 2.366 380 K HA 0.083 4.403 4.320 0.000 0.000 0.279 380 K C -0.938 175.525 176.600 -0.228 0.000 1.098 380 K CA 0.741 56.904 56.287 -0.207 0.000 1.087 380 K CB -0.436 31.999 32.500 -0.108 0.000 0.901 380 K HN 0.672 nan 8.250 nan 0.000 0.463 381 H N 0.984 120.047 119.070 -0.012 0.000 2.907 381 H HA 0.452 5.008 4.556 0.000 0.000 0.361 381 H C -0.329 174.989 175.328 -0.018 0.000 1.194 381 H CA -1.305 54.700 56.048 -0.071 0.000 1.152 381 H CB 1.587 31.313 29.762 -0.061 0.000 1.867 381 H HN 0.286 nan 8.280 nan 0.000 0.561 382 I N 2.525 123.090 120.570 -0.007 0.000 2.395 382 I HA 0.183 4.354 4.170 0.000 0.000 0.289 382 I C -0.126 175.851 176.117 -0.235 0.000 1.023 382 I CA -0.153 61.072 61.300 -0.124 0.000 1.350 382 I CB 0.143 38.012 38.000 -0.218 0.000 1.409 382 I HN 0.487 nan 8.210 nan 0.000 0.507 383 c N 3.138 121.501 118.600 -0.395 0.000 2.994 383 c HA 0.529 5.099 4.570 0.000 0.000 0.305 383 c C -0.520 173.165 174.090 -0.675 0.000 1.251 383 c CA -1.052 54.877 56.329 -0.666 0.000 1.478 383 c CB 1.310 42.986 42.510 -1.389 0.000 1.922 383 c HN 0.725 nan 8.230 nan 0.000 0.472 384 Q N 0.561 119.924 119.800 -0.728 0.000 2.299 384 Q HA 0.645 4.985 4.340 0.000 0.000 0.246 384 Q C -1.363 174.020 176.000 -1.029 0.000 0.935 384 Q CA 0.253 55.536 55.803 -0.866 0.000 0.887 384 Q CB 1.216 29.555 28.738 -0.666 0.000 1.223 384 Q HN 0.699 nan 8.270 nan 0.000 0.439 385 F N 0.163 119.524 119.950 -0.982 0.000 2.603 385 F HA 0.335 4.862 4.527 0.000 0.000 0.317 385 F C 0.020 175.370 175.800 -0.750 0.000 1.066 385 F CA -0.998 56.398 58.000 -1.006 0.000 0.941 385 F CB 1.913 39.739 39.000 -1.958 0.000 1.291 385 F HN 0.242 nan 8.300 nan 0.000 0.472 386 Q N 1.469 121.195 119.800 -0.124 0.000 2.309 386 Q HA 0.214 4.554 4.340 0.000 0.000 0.264 386 Q C 0.879 177.055 176.000 0.294 0.000 1.008 386 Q CA -0.632 55.194 55.803 0.037 0.000 0.853 386 Q CB 2.292 31.059 28.738 0.049 0.000 1.314 386 Q HN 0.786 nan 8.270 nan 0.000 0.448 387 K N 1.744 122.361 120.400 0.362 0.000 2.077 387 K HA -0.181 4.139 4.320 0.000 0.000 0.213 387 K C -0.303 176.542 176.600 0.407 0.000 1.051 387 K CA 1.585 58.180 56.287 0.512 0.000 0.929 387 K CB 0.138 32.858 32.500 0.367 0.000 0.715 387 K HN 0.473 nan 8.250 nan 0.000 0.451 388 D N 1.680 122.205 120.400 0.208 0.000 2.312 388 D HA 0.038 4.678 4.640 0.000 0.000 0.252 388 D C -0.247 176.066 176.300 0.022 0.000 1.150 388 D CA -0.108 53.927 54.000 0.059 0.000 0.870 388 D CB 1.206 42.033 40.800 0.045 0.000 1.153 388 D HN 0.248 nan 8.370 nan 0.000 0.457 389 R N 1.967 122.348 120.500 -0.198 0.000 2.694 389 R HA 0.113 4.453 4.340 0.000 0.000 0.268 389 R C -0.421 175.881 176.300 0.004 0.000 1.061 389 R CA 0.097 56.123 56.100 -0.123 0.000 1.133 389 R CB 0.562 30.711 30.300 -0.251 0.000 1.020 389 R HN 0.254 nan 8.270 nan 0.000 0.475 390 K N 4.309 124.743 120.400 0.056 0.000 2.345 390 K HA 0.320 4.641 4.320 0.000 0.000 0.255 390 K C -2.378 174.240 176.600 0.029 0.000 0.934 390 K CA -2.146 54.159 56.287 0.030 0.000 0.801 390 K CB 2.172 34.686 32.500 0.023 0.000 1.137 390 K HN 0.538 nan 8.250 nan 0.000 0.424 391 P HA -0.143 nan 4.420 nan 0.000 0.235 391 P C -1.009 176.302 177.300 0.018 0.000 1.080 391 P CA 0.826 63.936 63.100 0.016 0.000 1.096 391 P CB -0.203 31.502 31.700 0.008 0.000 1.085 392 E N 1.942 122.159 120.200 0.029 0.000 2.389 392 E HA -0.233 4.117 4.350 0.000 0.000 0.243 392 E C -0.128 176.480 176.600 0.014 0.000 1.154 392 E CA 0.496 56.912 56.400 0.027 0.000 0.723 392 E CB -1.822 27.890 29.700 0.020 0.000 1.261 392 E HN 0.664 nan 8.360 nan 0.000 0.390 393 Q N -1.795 118.010 119.800 0.008 0.000 1.882 393 Q HA 0.070 4.410 4.340 0.000 0.000 0.188 393 Q C 1.076 177.042 176.000 -0.057 0.000 0.795 393 Q CA 0.341 56.130 55.803 -0.024 0.000 0.932 393 Q CB 0.818 29.543 28.738 -0.022 0.000 1.239 393 Q HN 0.180 nan 8.270 nan 0.000 0.406 394 V N -0.993 118.916 119.914 -0.007 0.000 2.660 394 V HA -0.185 3.935 4.120 0.000 0.000 0.257 394 V C 1.096 176.983 176.094 -0.347 0.000 1.088 394 V CA 0.904 63.224 62.300 0.032 0.000 1.106 394 V CB -0.515 31.507 31.823 0.331 0.000 0.686 394 V HN 0.443 nan 8.190 nan 0.000 0.481 395 c N -0.541 117.780 118.600 -0.464 0.000 2.529 395 c HA 0.713 5.283 4.570 0.000 0.000 0.329 395 c C 0.464 174.252 174.090 -0.503 0.000 1.194 395 c CA -0.110 55.720 56.329 -0.832 0.000 1.779 395 c CB 1.658 43.589 42.510 -0.966 0.000 2.322 395 c HN 0.480 nan 8.230 nan 0.000 0.500 396 T N 3.232 117.439 114.554 -0.578 0.000 3.066 396 T HA 0.374 4.724 4.350 0.000 0.000 0.318 396 T C -0.791 173.716 174.700 -0.323 0.000 0.979 396 T CA -0.052 61.876 62.100 -0.287 0.000 1.025 396 T CB 0.076 68.817 68.868 -0.212 0.000 1.002 396 T HN 0.376 nan 8.240 nan 0.000 0.453 397 F N 2.535 122.368 119.950 -0.195 0.000 2.529 397 F HA 0.313 4.840 4.527 0.000 0.000 0.365 397 F C 1.550 177.248 175.800 -0.170 0.000 1.102 397 F CA -0.415 57.473 58.000 -0.187 0.000 1.271 397 F CB 0.508 39.416 39.000 -0.154 0.000 1.120 397 F HN 0.537 nan 8.300 nan 0.000 0.579 398 I N 1.114 121.633 120.570 -0.085 0.000 4.018 398 I HA 0.088 4.258 4.170 0.000 0.000 0.337 398 I C -0.061 175.937 176.117 -0.199 0.000 1.327 398 I CA 0.502 61.667 61.300 -0.224 0.000 1.100 398 I CB 0.036 37.809 38.000 -0.378 0.000 1.025 398 I HN 0.495 nan 8.210 nan 0.000 0.396 399 T N 1.338 115.774 114.554 -0.196 0.000 2.933 399 T HA 0.507 4.857 4.350 0.000 0.000 0.305 399 T C -0.713 173.571 174.700 -0.693 0.000 1.092 399 T CA -0.687 61.136 62.100 -0.461 0.000 1.008 399 T CB 2.535 70.965 68.868 -0.731 0.000 1.102 399 T HN -0.024 nan 8.240 nan 0.000 0.469 400 K N 0.681 120.687 120.400 -0.656 0.000 2.509 400 K HA 0.869 5.189 4.320 0.000 0.000 0.266 400 K C -0.404 176.027 176.600 -0.281 0.000 0.987 400 K CA -1.118 54.912 56.287 -0.428 0.000 0.868 400 K CB 2.556 34.955 32.500 -0.168 0.000 1.421 400 K HN 0.998 nan 8.250 nan 0.000 0.444 401 G N -0.369 108.344 108.800 -0.146 0.000 2.362 401 G HA2 0.267 4.227 3.960 0.000 0.000 0.656 401 G HA3 0.267 4.227 3.960 0.000 0.000 0.656 401 G C -1.395 173.154 174.900 -0.584 0.000 1.376 401 G CA -0.497 44.550 45.100 -0.090 0.000 0.971 401 G HN 0.615 nan 8.290 nan 0.000 0.636 402 A N 1.299 123.915 122.820 -0.341 0.000 3.168 402 A HA 0.657 4.977 4.320 0.000 0.000 0.260 402 A C 0.250 177.834 177.584 -0.000 0.000 1.598 402 A CA 0.570 52.169 52.037 -0.731 0.000 1.285 402 A CB -0.976 17.818 19.000 -0.343 0.000 1.149 402 A HN 1.799 nan 8.150 nan 0.000 0.630 403 W N -0.989 120.255 121.300 -0.093 0.000 2.937 403 W HA 0.679 5.339 4.660 0.000 0.000 0.360 403 W C -1.067 175.554 176.519 0.169 0.000 1.215 403 W CA -0.853 56.548 57.345 0.093 0.000 1.183 403 W CB 0.294 29.774 29.460 0.033 0.000 1.458 403 W HN 0.243 nan 8.180 nan 0.000 0.574 404 E N 0.457 120.799 120.200 0.237 0.000 2.369 404 E HA 0.480 4.830 4.350 0.000 0.000 0.270 404 E C -1.273 175.446 176.600 0.198 0.000 0.909 404 E CA -1.182 55.222 56.400 0.007 0.000 0.775 404 E CB 3.316 33.038 29.700 0.036 0.000 1.270 404 E HN 0.158 nan 8.360 nan 0.000 0.445 405 V N 3.593 123.567 119.914 0.099 0.000 2.432 405 V HA 0.025 4.145 4.120 0.000 0.000 0.271 405 V C 1.212 177.398 176.094 0.153 0.000 1.046 405 V CA -0.160 62.222 62.300 0.136 0.000 0.945 405 V CB 0.618 32.405 31.823 -0.061 0.000 0.992 405 V HN 0.684 nan 8.190 nan 0.000 0.471 406 I N 3.307 123.984 120.570 0.178 0.000 2.233 406 I HA -0.014 4.156 4.170 0.000 0.000 0.243 406 I C 1.047 177.257 176.117 0.156 0.000 1.093 406 I CA 1.288 62.667 61.300 0.132 0.000 1.380 406 I CB -0.627 37.388 38.000 0.025 0.000 1.067 406 I HN 0.853 nan 8.210 nan 0.000 0.413 407 S N -0.726 115.071 115.700 0.162 0.000 2.586 407 S HA 0.500 4.970 4.470 0.000 0.000 0.277 407 S C -0.858 173.825 174.600 0.138 0.000 1.131 407 S CA -0.908 57.383 58.200 0.151 0.000 0.848 407 S CB 1.275 64.572 63.200 0.160 0.000 1.091 407 S HN 0.030 nan 8.310 nan 0.000 0.453 408 I N 2.494 123.091 120.570 0.045 0.000 2.371 408 I HA 0.299 4.469 4.170 0.000 0.000 0.290 408 I C 0.838 176.952 176.117 -0.005 0.000 1.028 408 I CA -0.416 60.832 61.300 -0.087 0.000 1.345 408 I CB 1.082 38.753 38.000 -0.549 0.000 1.407 408 I HN 0.754 nan 8.210 nan 0.000 0.501 409 E N 4.910 125.157 120.200 0.078 0.000 2.389 409 E HA 0.331 4.681 4.350 0.000 0.000 0.199 409 E C 0.103 176.782 176.600 0.131 0.000 0.978 409 E CA 0.162 56.633 56.400 0.119 0.000 0.912 409 E CB 0.925 30.679 29.700 0.090 0.000 0.907 409 E HN 0.693 nan 8.360 nan 0.000 0.494 410 A N 0.600 123.504 122.820 0.140 0.000 2.590 410 A HA 0.519 4.839 4.320 0.000 0.000 0.296 410 A C -2.071 175.637 177.584 0.205 0.000 1.050 410 A CA -0.702 51.439 52.037 0.173 0.000 0.697 410 A CB 0.919 19.965 19.000 0.077 0.000 1.277 410 A HN 0.034 nan 8.150 nan 0.000 0.411 411 L N 1.709 123.052 121.223 0.198 0.000 2.427 411 L HA 0.645 4.985 4.340 0.000 0.000 0.264 411 L C 0.110 177.077 176.870 0.162 0.000 0.989 411 L CA 0.384 55.311 54.840 0.144 0.000 0.865 411 L CB 1.450 43.586 42.059 0.128 0.000 1.209 411 L HN 0.799 nan 8.230 nan 0.000 0.430 412 T N 1.006 115.666 114.554 0.177 0.000 2.788 412 T HA 0.189 4.539 4.350 0.000 0.000 0.280 412 T C 1.348 176.101 174.700 0.087 0.000 0.984 412 T CA 0.284 62.471 62.100 0.146 0.000 0.972 412 T CB 1.171 70.153 68.868 0.190 0.000 1.039 412 T HN 0.722 nan 8.240 nan 0.000 0.530 413 S N 0.123 115.854 115.700 0.051 0.000 2.474 413 S HA -0.087 4.383 4.470 0.000 0.000 0.235 413 S C 0.761 175.359 174.600 -0.003 0.000 0.997 413 S CA 1.320 59.544 58.200 0.039 0.000 0.949 413 S CB -0.396 62.818 63.200 0.023 0.000 0.766 413 S HN 0.857 nan 8.310 nan 0.000 0.517 414 D N -1.864 118.490 120.400 -0.077 0.000 2.449 414 D HA 0.209 4.849 4.640 0.000 0.000 0.255 414 D C -0.114 176.129 176.300 -0.096 0.000 1.121 414 D CA -0.324 53.579 54.000 -0.161 0.000 0.830 414 D CB -0.043 40.536 40.800 -0.368 0.000 1.280 414 D HN 0.500 nan 8.370 nan 0.000 0.522 415 Y N 0.191 120.460 120.300 -0.051 0.000 2.485 415 Y HA 0.544 5.094 4.550 0.000 0.000 0.345 415 Y C -1.210 174.584 175.900 -0.176 0.000 0.998 415 Y CA -1.807 56.190 58.100 -0.172 0.000 1.059 415 Y CB 2.585 40.860 38.460 -0.309 0.000 1.234 415 Y HN -0.156 nan 8.280 nan 0.000 0.461 416 L N 3.778 124.944 121.223 -0.094 0.000 2.388 416 L HA 0.462 4.802 4.340 0.000 0.000 0.267 416 L C -1.935 174.873 176.870 -0.104 0.000 0.995 416 L CA -1.040 53.732 54.840 -0.114 0.000 0.864 416 L CB -0.075 41.826 42.059 -0.264 0.000 1.216 416 L HN 0.374 nan 8.230 nan 0.000 0.430 417 Y N 5.664 125.943 120.300 -0.035 0.000 2.316 417 Y HA 0.515 5.065 4.550 0.000 0.000 0.331 417 Y C -0.004 175.899 175.900 0.006 0.000 1.083 417 Y CA 0.122 58.167 58.100 -0.093 0.000 1.206 417 Y CB 0.723 39.100 38.460 -0.139 0.000 1.195 417 Y HN 0.654 nan 8.280 nan 0.000 0.497 418 Y N 0.164 120.499 120.300 0.058 0.000 2.818 418 Y HA 0.869 5.419 4.550 0.000 0.000 0.322 418 Y C -1.698 174.252 175.900 0.083 0.000 1.323 418 Y CA -2.235 55.891 58.100 0.042 0.000 1.090 418 Y CB 1.293 39.757 38.460 0.008 0.000 1.328 418 Y HN 0.350 nan 8.280 nan 0.000 0.482 419 I N 2.290 123.088 120.570 0.380 0.000 2.534 419 I HA 0.539 4.709 4.170 0.000 0.000 0.288 419 I C -0.932 175.410 176.117 0.375 0.000 1.077 419 I CA -0.526 60.920 61.300 0.242 0.000 1.051 419 I CB 2.207 40.276 38.000 0.114 0.000 1.234 419 I HN 0.875 nan 8.210 nan 0.000 0.425 420 S N 3.229 119.132 115.700 0.338 0.000 2.697 420 S HA 0.483 4.953 4.470 0.000 0.000 0.289 420 S C -0.370 174.347 174.600 0.194 0.000 1.149 420 S CA -0.802 57.591 58.200 0.322 0.000 0.850 420 S CB 1.841 65.342 63.200 0.501 0.000 1.151 420 S HN 0.652 nan 8.310 nan 0.000 0.491 421 N N -0.510 118.310 118.700 0.199 0.000 2.328 421 N HA 0.113 4.853 4.740 0.000 0.000 0.247 421 N C 0.552 176.117 175.510 0.092 0.000 1.165 421 N CA -0.236 52.874 53.050 0.100 0.000 0.873 421 N CB 0.169 38.682 38.487 0.044 0.000 1.125 421 N HN 0.853 nan 8.380 nan 0.000 0.513 422 E N 0.088 120.280 120.200 -0.014 0.000 2.028 422 E HA -0.210 4.140 4.350 0.000 0.000 0.191 422 E C -0.235 176.252 176.600 -0.190 0.000 0.988 422 E CA 0.286 56.437 56.400 -0.415 0.000 0.799 422 E CB -0.178 28.646 29.700 -1.460 0.000 0.755 422 E HN 0.324 nan 8.360 nan 0.000 0.447 423 Y N 2.030 122.250 120.300 -0.134 0.000 2.987 423 Y HA -0.172 4.378 4.550 0.000 0.000 0.339 423 Y C 0.340 176.213 175.900 -0.045 0.000 1.272 423 Y CA 0.918 58.990 58.100 -0.047 0.000 1.562 423 Y CB 0.157 38.637 38.460 0.033 0.000 1.253 423 Y HN 0.159 nan 8.280 nan 0.000 0.604 424 K N 3.641 123.744 120.400 -0.495 0.000 2.975 424 K HA -0.339 3.981 4.320 0.000 0.000 0.257 424 K C 0.111 176.623 176.600 -0.146 0.000 1.005 424 K CA 1.188 57.219 56.287 -0.426 0.000 0.738 424 K CB -1.020 31.119 32.500 -0.603 0.000 1.236 424 K HN 0.927 nan 8.250 nan 0.000 0.483 425 E N -1.593 118.549 120.200 -0.097 0.000 2.450 425 E HA -0.264 4.086 4.350 0.000 0.000 0.244 425 E C -0.441 176.128 176.600 -0.051 0.000 1.226 425 E CA 1.071 57.455 56.400 -0.027 0.000 0.720 425 E CB -0.941 28.775 29.700 0.026 0.000 1.254 425 E HN 0.467 nan 8.360 nan 0.000 0.399 426 M N 1.007 120.500 119.600 -0.180 0.000 2.080 426 M HA 0.132 4.612 4.480 0.000 0.000 0.350 426 M C -1.422 174.606 176.300 -0.453 0.000 1.143 426 M CA -1.881 53.123 55.300 -0.494 0.000 1.064 426 M CB 0.850 33.249 32.600 -0.336 0.000 1.429 426 M HN -0.159 nan 8.290 nan 0.000 0.418 427 P HA -0.054 nan 4.420 nan 0.000 0.226 427 P C 0.972 178.122 177.300 -0.251 0.000 1.153 427 P CA 1.077 63.995 63.100 -0.303 0.000 0.777 427 P CB 0.179 31.711 31.700 -0.280 0.000 0.794 428 G N -0.489 108.067 108.800 -0.407 0.000 3.042 428 G HA2 0.247 4.207 3.960 0.000 0.000 0.212 428 G HA3 0.247 4.207 3.960 0.000 0.000 0.212 428 G C 0.731 175.658 174.900 0.045 0.000 1.166 428 G CA 0.121 45.139 45.100 -0.136 0.000 0.767 428 G HN 0.428 nan 8.290 nan 0.000 0.546 429 G N -0.285 108.491 108.800 -0.040 0.000 2.461 429 G HA2 0.606 4.566 3.960 0.000 0.000 0.329 429 G HA3 0.606 4.566 3.960 0.000 0.000 0.329 429 G C -0.862 173.989 174.900 -0.082 0.000 1.170 429 G CA -0.749 44.381 45.100 0.050 0.000 0.935 429 G HN 0.030 nan 8.290 nan 0.000 0.492 430 R N 1.267 121.653 120.500 -0.191 0.000 2.483 430 R HA 0.407 4.747 4.340 0.000 0.000 0.303 430 R C -1.050 175.244 176.300 -0.009 0.000 0.987 430 R CA -0.790 55.145 56.100 -0.276 0.000 0.881 430 R CB 1.502 31.320 30.300 -0.802 0.000 1.177 430 R HN 0.548 nan 8.270 nan 0.000 0.451 431 N N 1.930 120.678 118.700 0.079 0.000 2.240 431 N HA 0.306 5.046 4.740 0.000 0.000 0.302 431 N C -1.057 174.426 175.510 -0.046 0.000 1.106 431 N CA -0.822 52.251 53.050 0.038 0.000 0.778 431 N CB 2.756 41.240 38.487 -0.006 0.000 1.431 431 N HN 0.252 nan 8.380 nan 0.000 0.479 432 L N 2.898 123.930 121.223 -0.318 0.000 2.261 432 L HA 0.416 4.756 4.340 0.000 0.000 0.289 432 L C -1.227 175.286 176.870 -0.596 0.000 1.059 432 L CA 0.042 54.663 54.840 -0.365 0.000 0.816 432 L CB -0.477 41.323 42.059 -0.433 0.000 1.191 432 L HN 0.391 nan 8.230 nan 0.000 0.431 433 Y N 4.119 124.020 120.300 -0.664 0.000 2.654 433 Y HA 0.712 5.262 4.550 0.000 0.000 0.328 433 Y C -0.101 175.350 175.900 -0.748 0.000 1.174 433 Y CA -0.675 56.947 58.100 -0.796 0.000 1.293 433 Y CB 1.198 38.962 38.460 -1.161 0.000 1.464 433 Y HN 0.595 nan 8.280 nan 0.000 0.559 434 K N 0.677 120.801 120.400 -0.461 0.000 2.570 434 K HA 0.591 4.911 4.320 0.000 0.000 0.256 434 K C -2.361 174.014 176.600 -0.375 0.000 0.939 434 K CA -0.416 55.551 56.287 -0.533 0.000 0.833 434 K CB 1.244 33.231 32.500 -0.855 0.000 1.318 434 K HN 0.666 nan 8.250 nan 0.000 0.433 435 I N 2.587 122.996 120.570 -0.269 0.000 2.569 435 I HA 0.249 4.419 4.170 0.000 0.000 0.296 435 I C -0.460 175.620 176.117 -0.062 0.000 1.028 435 I CA -1.059 60.169 61.300 -0.120 0.000 1.082 435 I CB 2.205 40.204 38.000 -0.002 0.000 1.264 435 I HN 0.696 nan 8.210 nan 0.000 0.429 436 Q N 4.652 124.497 119.800 0.075 0.000 2.288 436 Q HA 0.282 4.622 4.340 0.000 0.000 0.258 436 Q C 0.401 176.546 176.000 0.242 0.000 0.957 436 Q CA -0.349 55.644 55.803 0.316 0.000 0.919 436 Q CB 1.287 30.208 28.738 0.305 0.000 1.185 436 Q HN 0.679 nan 8.270 nan 0.000 0.408 437 L N 2.628 123.978 121.223 0.210 0.000 2.012 437 L HA -0.209 4.131 4.340 0.000 0.000 0.210 437 L C 2.497 179.491 176.870 0.206 0.000 1.073 437 L CA 1.871 56.854 54.840 0.238 0.000 0.748 437 L CB -0.881 41.277 42.059 0.165 0.000 0.891 437 L HN 0.801 nan 8.230 nan 0.000 0.431 438 T N -3.776 110.836 114.554 0.097 0.000 2.977 438 T HA -0.162 4.188 4.350 0.000 0.000 0.271 438 T C 0.643 175.326 174.700 -0.029 0.000 1.105 438 T CA 0.957 63.068 62.100 0.018 0.000 1.116 438 T CB -0.144 68.729 68.868 0.008 0.000 0.878 438 T HN 0.220 nan 8.240 nan 0.000 0.509 439 D N 0.092 120.509 120.400 0.028 0.000 2.323 439 D HA 0.164 4.804 4.640 0.000 0.000 0.242 439 D C -0.179 176.195 176.300 0.124 0.000 1.347 439 D CA -0.553 53.452 54.000 0.009 0.000 0.988 439 D CB 0.688 41.506 40.800 0.031 0.000 1.314 439 D HN 0.097 nan 8.370 nan 0.000 0.564 440 H N 1.519 120.605 119.070 0.027 0.000 2.567 440 H HA 0.027 4.583 4.556 0.000 0.000 0.276 440 H C 1.470 176.809 175.328 0.017 0.000 1.016 440 H CA 0.683 56.746 56.048 0.024 0.000 1.186 440 H CB 0.060 29.834 29.762 0.020 0.000 1.351 440 H HN 0.290 nan 8.280 nan 0.000 0.605 441 T N -0.477 114.149 114.554 0.119 0.000 2.937 441 T HA -0.068 4.282 4.350 0.000 0.000 0.260 441 T C 1.706 176.433 174.700 0.045 0.000 1.051 441 T CA 0.903 63.043 62.100 0.066 0.000 1.141 441 T CB -0.407 68.483 68.868 0.036 0.000 0.879 441 T HN 0.691 nan 8.240 nan 0.000 0.459 442 N N 2.423 121.151 118.700 0.047 0.000 3.059 442 N HA 0.108 4.848 4.740 0.000 0.000 0.321 442 N C 0.037 175.531 175.510 -0.026 0.000 1.224 442 N CA 0.224 53.283 53.050 0.015 0.000 1.197 442 N CB -0.820 37.692 38.487 0.042 0.000 1.453 442 N HN 0.422 nan 8.380 nan 0.000 0.544 443 K N 0.770 121.160 120.400 -0.017 0.000 2.240 443 K HA 0.345 4.665 4.320 0.000 0.000 0.271 443 K C -0.709 175.856 176.600 -0.057 0.000 1.018 443 K CA -0.613 55.660 56.287 -0.023 0.000 0.874 443 K CB 0.588 33.114 32.500 0.044 0.000 1.098 443 K HN 0.405 nan 8.250 nan 0.000 0.458 444 K N 4.400 124.719 120.400 -0.134 0.000 2.468 444 K HA 0.250 4.570 4.320 0.000 0.000 0.252 444 K C -1.540 174.862 176.600 -0.331 0.000 0.932 444 K CA -0.847 55.323 56.287 -0.194 0.000 0.794 444 K CB 1.726 34.095 32.500 -0.218 0.000 1.241 444 K HN 0.759 nan 8.250 nan 0.000 0.428 445 C N 5.923 124.945 119.300 -0.463 0.000 2.514 445 C HA 0.387 4.847 4.460 0.000 0.000 0.392 445 C C 1.169 175.773 174.990 -0.643 0.000 1.294 445 C CA -0.572 57.900 59.018 -0.910 0.000 1.957 445 C CB -0.898 26.175 27.740 -1.112 0.000 2.541 445 C HN 0.910 nan 8.230 nan 0.000 0.569 446 L N 4.981 125.804 121.223 -0.667 0.000 2.693 446 L HA 0.170 4.510 4.340 0.000 0.000 0.235 446 L C 1.770 178.322 176.870 -0.529 0.000 1.127 446 L CA 0.436 54.978 54.840 -0.497 0.000 0.914 446 L CB -0.320 41.450 42.059 -0.482 0.000 1.193 446 L HN 0.887 nan 8.230 nan 0.000 0.502 447 S N -3.075 112.223 115.700 -0.670 0.000 2.649 447 S HA 0.002 4.472 4.470 0.000 0.000 0.246 447 S C 1.656 175.976 174.600 -0.466 0.000 1.057 447 S CA -0.136 57.601 58.200 -0.771 0.000 1.051 447 S CB -0.223 62.112 63.200 -1.442 0.000 1.018 447 S HN 0.297 nan 8.310 nan 0.000 0.569 448 C N 2.835 121.810 119.300 -0.542 0.000 2.411 448 C HA -0.064 4.396 4.460 0.000 0.000 0.279 448 C C 2.263 177.070 174.990 -0.304 0.000 1.288 448 C CA 1.218 59.870 59.018 -0.610 0.000 1.764 448 C CB -0.974 26.092 27.740 -1.123 0.000 1.974 448 C HN 0.628 nan 8.230 nan 0.000 0.498 449 D N 0.701 120.966 120.400 -0.225 0.000 2.178 449 D HA 0.013 4.653 4.640 0.000 0.000 0.217 449 D C 2.129 178.421 176.300 -0.013 0.000 0.992 449 D CA 0.549 54.495 54.000 -0.090 0.000 0.895 449 D CB -0.901 39.845 40.800 -0.089 0.000 1.031 449 D HN 0.328 nan 8.370 nan 0.000 0.453 450 L N -0.306 120.907 121.223 -0.016 0.000 2.490 450 L HA -0.334 4.006 4.340 0.000 0.000 0.232 450 L C 0.211 177.128 176.870 0.079 0.000 1.147 450 L CA 2.111 56.981 54.840 0.050 0.000 0.825 450 L CB -1.081 41.029 42.059 0.085 0.000 0.992 450 L HN 0.101 nan 8.230 nan 0.000 0.425 451 N N -1.479 117.291 118.700 0.117 0.000 2.716 451 N HA 0.151 4.892 4.740 0.000 0.000 0.245 451 N C -1.914 173.650 175.510 0.090 0.000 1.495 451 N CA -0.629 52.471 53.050 0.084 0.000 0.759 451 N CB 1.065 39.591 38.487 0.064 0.000 1.261 451 N HN 0.127 nan 8.380 nan 0.000 0.515 452 P HA -0.215 nan 4.420 nan 0.000 0.218 452 P C 0.327 177.678 177.300 0.085 0.000 1.146 452 P CA 1.512 64.688 63.100 0.128 0.000 0.813 452 P CB 0.534 32.315 31.700 0.136 0.000 0.778 453 E N 0.311 120.542 120.200 0.052 0.000 2.033 453 E HA -0.070 4.280 4.350 0.000 0.000 0.189 453 E C 2.416 179.021 176.600 0.007 0.000 0.979 453 E CA 0.683 57.100 56.400 0.028 0.000 0.802 453 E CB -1.064 28.645 29.700 0.016 0.000 0.763 453 E HN 0.122 nan 8.360 nan 0.000 0.449 454 R N -0.082 120.413 120.500 -0.009 0.000 2.100 454 R HA 0.138 4.478 4.340 0.000 0.000 0.220 454 R C -0.241 176.013 176.300 -0.076 0.000 1.091 454 R CA 0.872 56.944 56.100 -0.047 0.000 0.986 454 R CB 0.145 30.409 30.300 -0.059 0.000 0.888 454 R HN 0.250 nan 8.270 nan 0.000 0.444 455 c N 0.715 119.269 118.600 -0.076 0.000 2.319 455 c HA 0.446 5.016 4.570 0.000 0.000 0.323 455 c C 0.322 174.337 174.090 -0.125 0.000 1.277 455 c CA -0.740 55.459 56.329 -0.217 0.000 1.517 455 c CB 1.490 43.740 42.510 -0.433 0.000 2.206 455 c HN 0.493 nan 8.230 nan 0.000 0.486 456 Q N 0.074 119.808 119.800 -0.110 0.000 2.081 456 Q HA 0.154 4.495 4.340 0.000 0.000 0.220 456 Q C -0.979 175.066 176.000 0.076 0.000 0.775 456 Q CA 0.127 55.965 55.803 0.057 0.000 0.983 456 Q CB 1.252 30.050 28.738 0.101 0.000 1.188 456 Q HN 0.815 nan 8.270 nan 0.000 0.458 457 Y N 0.622 120.798 120.300 -0.207 0.000 2.526 457 Y HA 0.355 4.905 4.550 0.000 0.000 0.328 457 Y C -1.366 174.402 175.900 -0.219 0.000 0.995 457 Y CA -0.940 57.086 58.100 -0.123 0.000 1.304 457 Y CB 0.575 38.988 38.460 -0.078 0.000 1.096 457 Y HN -0.064 nan 8.280 nan 0.000 0.499 458 Y N 1.946 122.178 120.300 -0.113 0.000 2.419 458 Y HA 0.540 5.090 4.550 0.000 0.000 0.328 458 Y C 0.390 176.241 175.900 -0.082 0.000 1.162 458 Y CA -0.485 57.569 58.100 -0.076 0.000 1.174 458 Y CB 1.930 40.329 38.460 -0.100 0.000 1.228 458 Y HN 0.468 nan 8.280 nan 0.000 0.473 459 S N 1.740 117.551 115.700 0.185 0.000 2.536 459 S HA 0.809 5.280 4.470 0.000 0.000 0.298 459 S C -1.376 173.324 174.600 0.166 0.000 1.083 459 S CA -0.590 57.702 58.200 0.153 0.000 0.995 459 S CB 1.671 64.986 63.200 0.191 0.000 1.058 459 S HN 0.595 nan 8.310 nan 0.000 0.488 460 V N 1.450 121.446 119.914 0.136 0.000 3.184 460 V HA 0.970 5.090 4.120 0.000 0.000 0.308 460 V C -0.831 175.375 176.094 0.187 0.000 1.243 460 V CA -0.005 62.374 62.300 0.132 0.000 1.058 460 V CB 2.190 34.026 31.823 0.023 0.000 1.183 460 V HN 1.406 nan 8.190 nan 0.000 0.471 461 S N 1.654 117.489 115.700 0.225 0.000 2.194 461 S HA 0.356 4.826 4.470 0.000 0.000 0.249 461 S C -1.683 173.187 174.600 0.451 0.000 0.777 461 S CA -0.557 57.841 58.200 0.329 0.000 0.947 461 S CB 0.005 63.414 63.200 0.349 0.000 1.282 461 S HN 0.588 nan 8.310 nan 0.000 0.383 462 L N 3.859 125.200 121.223 0.196 0.000 2.379 462 L HA 0.646 4.986 4.340 0.000 0.000 0.269 462 L C 1.186 177.763 176.870 -0.488 0.000 1.084 462 L CA -0.078 54.727 54.840 -0.058 0.000 0.802 462 L CB 1.334 43.258 42.059 -0.225 0.000 1.175 462 L HN 0.769 nan 8.230 nan 0.000 0.448 463 S N 0.861 115.919 115.700 -1.070 0.000 2.589 463 S HA 0.153 4.623 4.470 0.000 0.000 0.265 463 S C 1.148 175.440 174.600 -0.514 0.000 1.342 463 S CA -0.600 56.695 58.200 -1.508 0.000 1.005 463 S CB 0.508 62.903 63.200 -1.341 0.000 0.909 463 S HN 0.489 nan 8.310 nan 0.000 0.555 464 K N 1.063 121.310 120.400 -0.254 0.000 2.148 464 K HA -0.199 4.121 4.320 0.000 0.000 0.213 464 K C 0.762 177.336 176.600 -0.042 0.000 1.050 464 K CA 2.131 58.389 56.287 -0.048 0.000 0.932 464 K CB -0.495 32.023 32.500 0.030 0.000 0.717 464 K HN 0.839 nan 8.250 nan 0.000 0.462 465 E N -1.363 118.789 120.200 -0.080 0.000 3.157 465 E HA 0.323 4.673 4.350 0.000 0.000 0.203 465 E C -0.600 175.960 176.600 -0.067 0.000 0.982 465 E CA 0.193 56.572 56.400 -0.036 0.000 1.217 465 E CB 0.718 30.417 29.700 -0.001 0.000 1.123 465 E HN 0.247 nan 8.360 nan 0.000 0.457 466 A N 1.390 124.119 122.820 -0.152 0.000 2.783 466 A HA -0.333 3.987 4.320 0.000 0.000 0.292 466 A C 1.446 178.935 177.584 -0.158 0.000 1.495 466 A CA 1.691 53.604 52.037 -0.206 0.000 0.787 466 A CB -1.650 17.244 19.000 -0.178 0.000 1.017 466 A HN 0.387 nan 8.150 nan 0.000 0.516 467 K N -1.773 118.504 120.400 -0.204 0.000 2.186 467 K HA 0.128 4.448 4.320 0.000 0.000 0.202 467 K C 0.182 176.428 176.600 -0.591 0.000 1.052 467 K CA 1.280 57.365 56.287 -0.336 0.000 0.965 467 K CB 0.056 32.362 32.500 -0.323 0.000 0.746 467 K HN 0.674 nan 8.250 nan 0.000 0.457 468 Y N -0.989 119.203 120.300 -0.180 0.000 2.605 468 Y HA 0.339 4.889 4.550 0.000 0.000 0.343 468 Y C -1.063 174.803 175.900 -0.056 0.000 1.036 468 Y CA -1.345 56.686 58.100 -0.114 0.000 1.065 468 Y CB 1.665 40.104 38.460 -0.035 0.000 1.288 468 Y HN -0.015 nan 8.280 nan 0.000 0.481 469 Y N -0.729 119.701 120.300 0.218 0.000 2.442 469 Y HA 0.444 4.994 4.550 0.000 0.000 0.330 469 Y C -1.342 174.741 175.900 0.305 0.000 1.100 469 Y CA -1.445 56.756 58.100 0.168 0.000 1.034 469 Y CB 1.241 39.656 38.460 -0.075 0.000 1.285 469 Y HN 0.589 nan 8.280 nan 0.000 0.440 470 Q N 4.529 124.659 119.800 0.549 0.000 2.241 470 Q HA 0.549 4.889 4.340 0.000 0.000 0.254 470 Q C -1.708 174.512 176.000 0.367 0.000 0.917 470 Q CA -0.666 55.369 55.803 0.386 0.000 0.919 470 Q CB 1.577 30.464 28.738 0.249 0.000 1.237 470 Q HN 1.026 nan 8.270 nan 0.000 0.434 471 L N 2.010 123.432 121.223 0.331 0.000 2.329 471 L HA 0.597 4.937 4.340 0.000 0.000 0.279 471 L C 0.223 177.231 176.870 0.230 0.000 1.014 471 L CA -0.833 54.169 54.840 0.271 0.000 0.814 471 L CB 2.060 44.242 42.059 0.205 0.000 1.257 471 L HN 0.774 nan 8.230 nan 0.000 0.424 472 G N 1.450 110.365 108.800 0.191 0.000 2.588 472 G HA2 0.319 4.279 3.960 0.000 0.000 0.312 472 G HA3 0.319 4.279 3.960 0.000 0.000 0.312 472 G C -0.786 174.014 174.900 -0.167 0.000 1.257 472 G CA -0.299 44.733 45.100 -0.113 0.000 0.994 472 G HN 0.673 nan 8.290 nan 0.000 0.498 473 c N 5.179 123.527 118.600 -0.420 0.000 2.349 473 c HA 0.539 5.109 4.570 0.000 0.000 0.348 473 c C 1.157 175.049 174.090 -0.329 0.000 1.223 473 c CA -0.841 55.211 56.329 -0.462 0.000 1.746 473 c CB -0.286 41.995 42.510 -0.382 0.000 2.360 473 c HN 0.732 nan 8.230 nan 0.000 0.533 474 R N 3.902 124.307 120.500 -0.159 0.000 2.334 474 R HA 0.220 4.561 4.340 0.000 0.000 0.212 474 R C 1.424 177.732 176.300 0.015 0.000 0.897 474 R CA 0.376 56.487 56.100 0.018 0.000 1.056 474 R CB -1.075 29.336 30.300 0.186 0.000 1.046 474 R HN 0.895 nan 8.270 nan 0.000 0.513 475 G N 2.785 111.536 108.800 -0.081 0.000 3.168 475 G HA2 -0.110 3.850 3.960 0.000 0.000 0.238 475 G HA3 -0.110 3.850 3.960 0.000 0.000 0.238 475 G C -1.473 173.422 174.900 -0.009 0.000 1.256 475 G CA -0.603 44.458 45.100 -0.065 0.000 0.872 475 G HN 0.005 nan 8.290 nan 0.000 0.609 476 P HA -0.186 nan 4.420 nan 0.000 0.221 476 P C 1.543 178.860 177.300 0.028 0.000 1.160 476 P CA 2.008 65.131 63.100 0.038 0.000 0.933 476 P CB -0.200 31.513 31.700 0.021 0.000 0.793 477 G N -1.367 107.390 108.800 -0.072 0.000 2.553 477 G HA2 0.307 4.267 3.960 0.000 0.000 0.278 477 G HA3 0.307 4.267 3.960 0.000 0.000 0.278 477 G C -0.437 174.220 174.900 -0.406 0.000 1.349 477 G CA -0.644 44.336 45.100 -0.200 0.000 1.037 477 G HN 0.069 nan 8.290 nan 0.000 0.508 478 L N 1.990 122.882 121.223 -0.552 0.000 2.490 478 L HA 0.138 4.478 4.340 0.000 0.000 0.274 478 L C -1.504 175.191 176.870 -0.292 0.000 1.201 478 L CA -1.180 53.266 54.840 -0.656 0.000 0.869 478 L CB 0.415 42.204 42.059 -0.450 0.000 1.123 478 L HN 0.338 nan 8.230 nan 0.000 0.484 479 P HA -0.032 nan 4.420 nan 0.000 0.262 479 P C -0.845 176.403 177.300 -0.086 0.000 1.182 479 P CA -0.051 63.010 63.100 -0.066 0.000 0.761 479 P CB 0.918 32.709 31.700 0.150 0.000 0.795 480 L N 5.802 126.870 121.223 -0.257 0.000 2.376 480 L HA 0.454 4.795 4.340 0.000 0.000 0.275 480 L C -1.423 175.263 176.870 -0.308 0.000 0.987 480 L CA -0.911 53.831 54.840 -0.164 0.000 0.828 480 L CB 0.970 42.973 42.059 -0.093 0.000 1.249 480 L HN 0.174 nan 8.230 nan 0.000 0.409 481 Y N 2.846 123.157 120.300 0.019 0.000 2.335 481 Y HA 0.746 5.296 4.550 0.000 0.000 0.338 481 Y C 0.467 176.328 175.900 -0.064 0.000 0.977 481 Y CA -0.551 57.556 58.100 0.013 0.000 1.114 481 Y CB 2.018 40.479 38.460 0.002 0.000 1.182 481 Y HN 0.664 nan 8.280 nan 0.000 0.463 482 T N 1.899 116.522 114.554 0.115 0.000 2.900 482 T HA 0.738 5.088 4.350 0.000 0.000 0.303 482 T C -1.130 173.621 174.700 0.086 0.000 1.142 482 T CA -0.984 61.127 62.100 0.018 0.000 1.007 482 T CB 1.512 70.401 68.868 0.036 0.000 1.156 482 T HN 0.701 nan 8.240 nan 0.000 0.490 483 L N 0.874 122.052 121.223 -0.074 0.000 2.346 483 L HA 0.939 5.279 4.340 0.000 0.000 0.274 483 L C -1.342 175.442 176.870 -0.143 0.000 1.007 483 L CA -0.842 54.032 54.840 0.056 0.000 0.818 483 L CB 1.549 43.637 42.059 0.048 0.000 1.284 483 L HN 0.839 nan 8.230 nan 0.000 0.424 484 H N 0.975 119.858 119.070 -0.312 0.000 2.864 484 H HA 0.646 5.202 4.556 0.000 0.000 0.354 484 H C -0.979 174.168 175.328 -0.302 0.000 1.208 484 H CA -0.946 54.846 56.048 -0.426 0.000 1.191 484 H CB 1.167 30.423 29.762 -0.844 0.000 1.889 484 H HN 0.682 nan 8.280 nan 0.000 0.574 485 R N -0.245 120.209 120.500 -0.077 0.000 2.265 485 R HA 0.483 4.823 4.340 0.000 0.000 0.328 485 R C -0.131 176.104 176.300 -0.108 0.000 0.969 485 R CA -0.435 55.603 56.100 -0.104 0.000 0.832 485 R CB 1.092 31.356 30.300 -0.060 0.000 1.139 485 R HN 0.451 nan 8.270 nan 0.000 0.457 486 S N 2.130 117.780 115.700 -0.083 0.000 2.380 486 S HA -0.242 4.228 4.470 0.000 0.000 0.229 486 S C 1.253 175.945 174.600 0.153 0.000 1.043 486 S CA 2.204 60.509 58.200 0.176 0.000 1.038 486 S CB -0.420 62.871 63.200 0.152 0.000 0.872 486 S HN 0.842 nan 8.310 nan 0.000 0.456 487 T N 2.222 116.800 114.554 0.041 0.000 2.565 487 T HA -0.222 4.128 4.350 0.000 0.000 0.265 487 T C 1.393 176.134 174.700 0.068 0.000 1.082 487 T CA 1.942 64.075 62.100 0.055 0.000 1.173 487 T CB -0.613 68.255 68.868 -0.001 0.000 0.864 487 T HN 0.818 nan 8.240 nan 0.000 0.425 488 D N -0.470 119.956 120.400 0.044 0.000 2.469 488 D HA 0.278 4.918 4.640 0.000 0.000 0.213 488 D C 0.596 176.928 176.300 0.053 0.000 1.135 488 D CA -0.194 53.830 54.000 0.039 0.000 0.834 488 D CB -0.063 40.750 40.800 0.022 0.000 1.009 488 D HN 0.261 nan 8.370 nan 0.000 0.507 489 Q N -0.556 119.294 119.800 0.084 0.000 2.374 489 Q HA -0.237 4.103 4.340 0.000 0.000 0.218 489 Q C -0.173 175.893 176.000 0.110 0.000 0.691 489 Q CA 1.104 56.983 55.803 0.126 0.000 1.340 489 Q CB -1.939 26.878 28.738 0.132 0.000 1.498 489 Q HN 0.499 nan 8.270 nan 0.000 0.739 490 K N 2.070 122.493 120.400 0.038 0.000 2.367 490 K HA -0.064 4.256 4.320 0.000 0.000 0.275 490 K C -0.176 176.382 176.600 -0.071 0.000 1.125 490 K CA 0.338 56.625 56.287 -0.001 0.000 1.133 490 K CB 0.177 32.670 32.500 -0.010 0.000 0.875 490 K HN 0.263 nan 8.250 nan 0.000 0.467 491 E N 5.946 126.060 120.200 -0.143 0.000 2.168 491 E HA -0.094 4.256 4.350 0.000 0.000 0.254 491 E C 0.733 177.168 176.600 -0.276 0.000 1.228 491 E CA -0.184 55.935 56.400 -0.467 0.000 0.956 491 E CB 0.170 29.611 29.700 -0.431 0.000 1.031 491 E HN 0.668 nan 8.360 nan 0.000 0.441 492 L N 4.455 125.540 121.223 -0.230 0.000 2.013 492 L HA -0.176 4.164 4.340 0.000 0.000 0.212 492 L C 1.358 178.150 176.870 -0.130 0.000 1.073 492 L CA 1.527 56.293 54.840 -0.123 0.000 0.753 492 L CB -0.696 41.322 42.059 -0.068 0.000 0.890 492 L HN 0.626 nan 8.230 nan 0.000 0.432 493 R N -2.389 118.005 120.500 -0.178 0.000 2.764 493 R HA 0.507 4.847 4.340 0.000 0.000 0.276 493 R C -1.600 174.588 176.300 -0.186 0.000 1.021 493 R CA -0.978 55.032 56.100 -0.151 0.000 0.870 493 R CB 1.604 31.840 30.300 -0.105 0.000 1.293 493 R HN -0.289 nan 8.270 nan 0.000 0.469 494 V N 2.530 122.353 119.914 -0.152 0.000 2.333 494 V HA 0.214 4.334 4.120 0.000 0.000 0.274 494 V C 1.238 177.202 176.094 -0.215 0.000 1.028 494 V CA -0.498 61.713 62.300 -0.149 0.000 0.851 494 V CB 1.156 32.925 31.823 -0.091 0.000 1.000 494 V HN 0.621 nan 8.190 nan 0.000 0.456 495 L N 2.902 123.924 121.223 -0.334 0.000 2.179 495 L HA 0.192 4.532 4.340 0.000 0.000 0.208 495 L C 0.740 177.322 176.870 -0.480 0.000 1.096 495 L CA 0.891 55.312 54.840 -0.698 0.000 0.779 495 L CB 0.148 41.462 42.059 -1.240 0.000 0.922 495 L HN 0.687 nan 8.230 nan 0.000 0.443 496 E N 0.588 120.694 120.200 -0.155 0.000 2.677 496 E HA 0.124 4.474 4.350 0.000 0.000 0.330 496 E C -1.946 174.725 176.600 0.118 0.000 0.933 496 E CA -0.575 55.838 56.400 0.021 0.000 0.797 496 E CB 0.888 30.642 29.700 0.091 0.000 1.326 496 E HN 0.157 nan 8.360 nan 0.000 0.404 497 D N 2.762 123.199 120.400 0.062 0.000 2.505 497 D HA 0.261 4.901 4.640 0.000 0.000 0.249 497 D C -0.547 175.781 176.300 0.047 0.000 1.082 497 D CA -0.797 53.228 54.000 0.043 0.000 0.839 497 D CB 1.177 41.980 40.800 0.005 0.000 1.317 497 D HN 0.363 nan 8.370 nan 0.000 0.497 498 N N 0.686 119.409 118.700 0.039 0.000 3.210 498 N HA -0.022 4.718 4.740 0.000 0.000 0.314 498 N C 1.419 176.939 175.510 0.016 0.000 1.291 498 N CA -0.022 53.051 53.050 0.039 0.000 1.202 498 N CB 0.206 38.715 38.487 0.035 0.000 1.475 498 N HN 0.424 nan 8.380 nan 0.000 0.554 499 S N -0.566 115.146 115.700 0.019 0.000 2.370 499 S HA -0.271 4.199 4.470 0.000 0.000 0.226 499 S C 2.120 176.739 174.600 0.031 0.000 1.033 499 S CA 0.943 59.152 58.200 0.015 0.000 1.011 499 S CB -0.352 62.857 63.200 0.016 0.000 0.852 499 S HN 0.445 nan 8.310 nan 0.000 0.457 500 A N 2.378 125.227 122.820 0.048 0.000 1.845 500 A HA 0.024 4.344 4.320 0.000 0.000 0.215 500 A C 2.286 179.921 177.584 0.086 0.000 1.195 500 A CA 1.735 53.810 52.037 0.065 0.000 0.616 500 A CB -1.099 17.943 19.000 0.071 0.000 0.832 500 A HN 0.579 nan 8.150 nan 0.000 0.443 501 L N 0.217 121.497 121.223 0.095 0.000 2.127 501 L HA -0.175 4.165 4.340 0.000 0.000 0.211 501 L C 1.890 178.804 176.870 0.075 0.000 1.089 501 L CA 2.728 57.645 54.840 0.127 0.000 0.757 501 L CB -0.670 41.464 42.059 0.125 0.000 0.899 501 L HN 0.511 nan 8.230 nan 0.000 0.434 502 D N -0.033 120.382 120.400 0.025 0.000 2.097 502 D HA -0.217 4.423 4.640 0.000 0.000 0.197 502 D C 2.182 178.491 176.300 0.014 0.000 0.984 502 D CA 1.977 55.970 54.000 -0.012 0.000 0.826 502 D CB 0.309 41.092 40.800 -0.029 0.000 0.973 502 D HN 0.443 nan 8.370 nan 0.000 0.460 503 K N 1.049 121.472 120.400 0.038 0.000 2.063 503 K HA -0.112 4.209 4.320 0.000 0.000 0.208 503 K C 2.305 178.951 176.600 0.077 0.000 1.048 503 K CA 1.642 57.958 56.287 0.049 0.000 0.928 503 K CB -0.904 31.627 32.500 0.053 0.000 0.713 503 K HN 0.232 nan 8.250 nan 0.000 0.442 504 M N 0.106 119.779 119.600 0.121 0.000 2.086 504 M HA -0.001 4.479 4.480 0.000 0.000 0.261 504 M C 2.354 178.751 176.300 0.162 0.000 1.067 504 M CA 1.384 56.815 55.300 0.219 0.000 1.116 504 M CB -0.520 32.302 32.600 0.370 0.000 1.348 504 M HN 0.278 nan 8.290 nan 0.000 0.407 505 L N 0.087 121.319 121.223 0.016 0.000 2.622 505 L HA -0.160 4.180 4.340 0.000 0.000 0.233 505 L C 2.445 179.275 176.870 -0.067 0.000 1.156 505 L CA 0.194 54.948 54.840 -0.143 0.000 0.866 505 L CB -0.559 41.388 42.059 -0.186 0.000 0.980 505 L HN 0.359 nan 8.230 nan 0.000 0.448 506 Q N 0.240 120.039 119.800 -0.003 0.000 2.079 506 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 506 Q C 1.071 177.086 176.000 0.026 0.000 0.974 506 Q CA 1.253 57.062 55.803 0.009 0.000 0.840 506 Q CB -0.149 28.604 28.738 0.025 0.000 0.898 506 Q HN 0.566 nan 8.270 nan 0.000 0.430 507 D N 0.409 120.841 120.400 0.054 0.000 2.325 507 D HA 0.071 4.711 4.640 0.000 0.000 0.234 507 D C -0.118 176.229 176.300 0.078 0.000 1.122 507 D CA 0.131 54.176 54.000 0.074 0.000 0.850 507 D CB 0.587 41.449 40.800 0.103 0.000 0.921 507 D HN -0.045 nan 8.370 nan 0.000 0.513 508 V N 0.635 120.566 119.914 0.029 0.000 2.656 508 V HA 0.156 4.276 4.120 0.000 0.000 0.307 508 V C 0.123 176.205 176.094 -0.020 0.000 1.051 508 V CA -0.968 61.343 62.300 0.018 0.000 0.893 508 V CB 2.577 34.366 31.823 -0.057 0.000 0.999 508 V HN -0.146 nan 8.190 nan 0.000 0.426 509 Q N 4.020 123.820 119.800 -0.000 0.000 2.664 509 Q HA 0.317 4.657 4.340 0.000 0.000 0.223 509 Q C -0.360 175.581 176.000 -0.097 0.000 1.298 509 Q CA -0.220 55.548 55.803 -0.057 0.000 0.965 509 Q CB 0.354 29.061 28.738 -0.052 0.000 1.510 509 Q HN 0.546 nan 8.270 nan 0.000 0.567 510 M N 3.480 123.007 119.600 -0.122 0.000 2.243 510 M HA 0.245 4.725 4.480 0.000 0.000 0.341 510 M C -1.897 174.316 176.300 -0.145 0.000 1.130 510 M CA -1.871 53.340 55.300 -0.148 0.000 1.162 510 M CB -0.180 32.329 32.600 -0.152 0.000 1.497 510 M HN 0.271 nan 8.290 nan 0.000 0.456 511 P HA 0.279 nan 4.420 nan 0.000 0.278 511 P C -0.772 176.451 177.300 -0.128 0.000 1.266 511 P CA -0.380 62.629 63.100 -0.152 0.000 0.807 511 P CB 0.770 32.373 31.700 -0.162 0.000 1.094 512 S N -0.329 115.287 115.700 -0.140 0.000 2.745 512 S HA 0.601 5.071 4.470 0.000 0.000 0.292 512 S C -0.370 174.158 174.600 -0.121 0.000 1.127 512 S CA -0.696 57.439 58.200 -0.108 0.000 1.007 512 S CB 1.210 64.350 63.200 -0.099 0.000 1.165 512 S HN 0.563 nan 8.310 nan 0.000 0.544 513 K N 0.484 120.833 120.400 -0.086 0.000 2.687 513 K HA 0.282 4.602 4.320 0.000 0.000 0.249 513 K C -1.481 175.086 176.600 -0.056 0.000 0.994 513 K CA -0.336 55.906 56.287 -0.076 0.000 0.913 513 K CB 1.220 33.697 32.500 -0.038 0.000 1.202 513 K HN 0.659 nan 8.250 nan 0.000 0.460 514 K N 4.311 124.664 120.400 -0.079 0.000 2.205 514 K HA 0.262 4.582 4.320 0.000 0.000 0.279 514 K C -1.145 175.416 176.600 -0.065 0.000 1.027 514 K CA -0.670 55.581 56.287 -0.060 0.000 0.932 514 K CB 0.804 33.267 32.500 -0.062 0.000 1.032 514 K HN 0.459 nan 8.250 nan 0.000 0.466 515 L N 4.946 126.149 121.223 -0.034 0.000 2.417 515 L HA 0.382 4.722 4.340 0.000 0.000 0.259 515 L C -0.965 175.927 176.870 0.038 0.000 1.023 515 L CA 0.043 54.897 54.840 0.024 0.000 0.901 515 L CB 0.744 42.893 42.059 0.151 0.000 1.227 515 L HN 0.714 nan 8.230 nan 0.000 0.454 516 D N 2.614 122.796 120.400 -0.362 0.000 2.808 516 D HA 0.546 5.186 4.640 0.000 0.000 0.249 516 D C -1.444 174.505 176.300 -0.585 0.000 1.151 516 D CA -0.049 53.686 54.000 -0.441 0.000 1.089 516 D CB 2.187 42.752 40.800 -0.392 0.000 1.295 516 D HN 0.221 nan 8.370 nan 0.000 0.631 517 F N -0.033 119.594 119.950 -0.540 0.000 2.628 517 F HA 0.519 5.046 4.527 0.000 0.000 0.309 517 F C -1.606 174.271 175.800 0.128 0.000 1.108 517 F CA -1.055 56.767 58.000 -0.297 0.000 0.971 517 F CB 0.978 39.250 39.000 -1.212 0.000 1.279 517 F HN 0.073 nan 8.300 nan 0.000 0.441 518 I N 3.157 123.966 120.570 0.397 0.000 2.822 518 I HA 0.721 4.891 4.170 0.000 0.000 0.312 518 I C -1.249 175.090 176.117 0.370 0.000 1.011 518 I CA -1.222 60.198 61.300 0.199 0.000 1.105 518 I CB 2.117 40.168 38.000 0.086 0.000 1.291 518 I HN 0.748 nan 8.210 nan 0.000 0.474 519 V N 7.312 127.382 119.914 0.259 0.000 2.444 519 V HA 0.549 4.669 4.120 0.000 0.000 0.294 519 V C -1.111 175.142 176.094 0.265 0.000 1.022 519 V CA -0.418 62.072 62.300 0.317 0.000 0.850 519 V CB 1.641 33.617 31.823 0.254 0.000 0.992 519 V HN 0.597 nan 8.190 nan 0.000 0.426 520 L N 5.265 126.725 121.223 0.396 0.000 2.319 520 L HA 0.636 4.976 4.340 0.000 0.000 0.267 520 L C 0.829 177.866 176.870 0.278 0.000 1.011 520 L CA -1.089 53.920 54.840 0.283 0.000 0.818 520 L CB 1.700 43.907 42.059 0.247 0.000 1.316 520 L HN 0.667 nan 8.230 nan 0.000 0.432 521 N N 2.285 121.085 118.700 0.168 0.000 2.685 521 N HA -0.240 4.500 4.740 0.000 0.000 0.251 521 N C -0.284 175.309 175.510 0.138 0.000 1.020 521 N CA 1.420 54.553 53.050 0.138 0.000 0.762 521 N CB -0.676 37.898 38.487 0.144 0.000 0.958 521 N HN 0.759 nan 8.380 nan 0.000 0.539 522 E N -3.381 116.895 120.200 0.127 0.000 2.759 522 E HA -0.186 4.164 4.350 0.000 0.000 0.280 522 E C -0.680 175.967 176.600 0.077 0.000 1.009 522 E CA 0.988 57.445 56.400 0.095 0.000 0.849 522 E CB -1.809 27.931 29.700 0.067 0.000 1.415 522 E HN 0.411 nan 8.360 nan 0.000 0.412 523 T N 0.074 114.686 114.554 0.096 0.000 2.909 523 T HA 0.394 4.744 4.350 0.000 0.000 0.299 523 T C -0.005 174.599 174.700 -0.160 0.000 1.073 523 T CA -0.848 61.208 62.100 -0.073 0.000 0.999 523 T CB 1.960 70.718 68.868 -0.185 0.000 1.098 523 T HN 0.031 nan 8.240 nan 0.000 0.477 524 R N 1.232 121.574 120.500 -0.264 0.000 2.543 524 R HA 0.413 4.753 4.340 0.000 0.000 0.277 524 R C -1.101 174.941 176.300 -0.429 0.000 1.074 524 R CA 0.159 56.124 56.100 -0.225 0.000 1.076 524 R CB 0.361 30.436 30.300 -0.375 0.000 0.993 524 R HN 0.529 nan 8.270 nan 0.000 0.459 525 F N 2.163 122.264 119.950 0.252 0.000 2.745 525 F HA 0.201 4.728 4.527 0.000 0.000 0.343 525 F C -0.699 175.305 175.800 0.341 0.000 1.196 525 F CA -0.805 57.345 58.000 0.249 0.000 1.021 525 F CB 0.949 40.134 39.000 0.308 0.000 1.297 525 F HN 0.426 nan 8.300 nan 0.000 0.486 526 W N 4.008 125.489 121.300 0.301 0.000 2.202 526 W HA 0.415 5.075 4.660 0.000 0.000 0.332 526 W C -0.276 176.492 176.519 0.415 0.000 1.263 526 W CA -0.326 57.230 57.345 0.350 0.000 1.223 526 W CB 0.355 29.927 29.460 0.186 0.000 1.128 526 W HN 0.448 nan 8.180 nan 0.000 0.573 527 Y N -0.450 120.206 120.300 0.593 0.000 2.655 527 Y HA 0.697 5.247 4.550 0.000 0.000 0.336 527 Y C -1.065 175.102 175.900 0.445 0.000 1.154 527 Y CA -1.846 56.614 58.100 0.599 0.000 1.055 527 Y CB 1.175 40.151 38.460 0.860 0.000 1.295 527 Y HN 0.552 nan 8.280 nan 0.000 0.465 528 Q N 1.568 121.637 119.800 0.449 0.000 2.418 528 Q HA 0.762 5.102 4.340 0.000 0.000 0.282 528 Q C -1.948 174.182 176.000 0.216 0.000 1.044 528 Q CA -1.150 54.761 55.803 0.180 0.000 0.813 528 Q CB 3.329 32.154 28.738 0.145 0.000 1.428 528 Q HN 0.842 nan 8.270 nan 0.000 0.402 529 M N 2.051 121.691 119.600 0.067 0.000 2.386 529 M HA 0.466 4.946 4.480 0.000 0.000 0.293 529 M C -1.321 174.906 176.300 -0.122 0.000 1.120 529 M CA -0.925 54.349 55.300 -0.044 0.000 0.909 529 M CB 2.334 34.876 32.600 -0.097 0.000 1.661 529 M HN 0.583 nan 8.290 nan 0.000 0.452 530 I N 4.823 125.308 120.570 -0.143 0.000 2.291 530 I HA 0.357 4.527 4.170 0.000 0.000 0.290 530 I C -0.484 175.460 176.117 -0.288 0.000 1.050 530 I CA -0.353 60.844 61.300 -0.172 0.000 1.245 530 I CB 0.267 38.194 38.000 -0.122 0.000 1.405 530 I HN 0.640 nan 8.210 nan 0.000 0.478 531 L N 8.766 129.762 121.223 -0.379 0.000 2.276 531 L HA 0.402 4.742 4.340 0.000 0.000 0.286 531 L C -1.950 174.680 176.870 -0.399 0.000 1.061 531 L CA -1.762 52.717 54.840 -0.601 0.000 0.807 531 L CB 0.923 42.464 42.059 -0.863 0.000 1.177 531 L HN 0.306 nan 8.230 nan 0.000 0.429 532 P HA 0.094 nan 4.420 nan 0.000 0.269 532 P C -2.345 174.870 177.300 -0.141 0.000 1.209 532 P CA -0.921 62.053 63.100 -0.210 0.000 0.776 532 P CB 0.310 31.919 31.700 -0.152 0.000 0.876 533 P HA -0.254 nan 4.420 nan 0.000 0.246 533 P C 0.862 178.033 177.300 -0.214 0.000 0.850 533 P CA 1.644 64.577 63.100 -0.278 0.000 1.109 533 P CB -0.767 30.689 31.700 -0.406 0.000 0.744 534 H N -1.346 117.759 119.070 0.058 0.000 3.761 534 H HA 0.013 4.569 4.556 0.000 0.000 0.261 534 H C 0.424 175.807 175.328 0.093 0.000 1.143 534 H CA -0.213 55.870 56.048 0.059 0.000 1.239 534 H CB -2.031 27.755 29.762 0.040 0.000 1.344 534 H HN 0.117 nan 8.280 nan 0.000 0.733 535 F N 2.884 122.818 119.950 -0.026 0.000 2.512 535 F HA -0.104 4.423 4.527 0.000 0.000 0.406 535 F C 0.314 176.111 175.800 -0.004 0.000 0.990 535 F CA -0.434 57.508 58.000 -0.096 0.000 1.137 535 F CB 0.240 39.062 39.000 -0.296 0.000 0.960 535 F HN 0.123 nan 8.300 nan 0.000 0.533 536 D N 5.514 125.647 120.400 -0.444 0.000 2.441 536 D HA 0.157 4.797 4.640 0.000 0.000 0.231 536 D C 0.815 176.713 176.300 -0.670 0.000 1.073 536 D CA -0.495 53.239 54.000 -0.444 0.000 0.850 536 D CB 1.236 41.959 40.800 -0.127 0.000 1.062 536 D HN 0.615 nan 8.370 nan 0.000 0.524 537 K N 1.538 121.452 120.400 -0.809 0.000 2.444 537 K HA -0.165 4.155 4.320 0.000 0.000 0.200 537 K C 1.482 178.031 176.600 -0.086 0.000 1.045 537 K CA 1.636 57.611 56.287 -0.520 0.000 0.934 537 K CB 0.178 32.505 32.500 -0.289 0.000 0.756 537 K HN 0.486 nan 8.250 nan 0.000 0.477 538 S N -0.772 114.868 115.700 -0.100 0.000 2.456 538 S HA 0.072 4.542 4.470 0.000 0.000 0.224 538 S C 0.738 175.328 174.600 -0.016 0.000 1.035 538 S CA -0.143 58.042 58.200 -0.025 0.000 0.940 538 S CB 0.142 63.314 63.200 -0.047 0.000 0.799 538 S HN 0.080 nan 8.310 nan 0.000 0.508 539 K N 1.170 121.535 120.400 -0.058 0.000 2.136 539 K HA 0.326 4.646 4.320 0.000 0.000 0.237 539 K C -0.352 176.191 176.600 -0.095 0.000 1.048 539 K CA 0.056 56.259 56.287 -0.139 0.000 0.880 539 K CB 0.274 32.599 32.500 -0.292 0.000 1.105 539 K HN 0.142 nan 8.250 nan 0.000 0.507 540 K N 1.396 121.644 120.400 -0.252 0.000 2.426 540 K HA 0.287 4.607 4.320 0.000 0.000 0.254 540 K C -1.388 175.040 176.600 -0.286 0.000 0.936 540 K CA -0.561 55.658 56.287 -0.113 0.000 0.801 540 K CB 1.299 33.761 32.500 -0.064 0.000 1.139 540 K HN 0.353 nan 8.250 nan 0.000 0.424 541 Y N 1.687 122.025 120.300 0.063 0.000 2.567 541 Y HA 0.406 4.956 4.550 0.000 0.000 0.333 541 Y C -2.107 173.720 175.900 -0.123 0.000 1.106 541 Y CA -2.696 55.396 58.100 -0.012 0.000 1.157 541 Y CB 0.704 39.203 38.460 0.064 0.000 1.277 541 Y HN 0.430 nan 8.280 nan 0.000 0.490 542 P HA 0.238 nan 4.420 nan 0.000 0.281 542 P C -1.299 175.871 177.300 -0.218 0.000 1.249 542 P CA -0.267 62.569 63.100 -0.439 0.000 0.810 542 P CB 1.887 32.901 31.700 -1.143 0.000 1.008 543 L N 3.382 124.538 121.223 -0.113 0.000 2.346 543 L HA 0.582 4.922 4.340 0.000 0.000 0.276 543 L C -1.270 175.749 176.870 0.247 0.000 1.006 543 L CA -0.893 53.977 54.840 0.050 0.000 0.817 543 L CB 1.454 43.531 42.059 0.030 0.000 1.272 543 L HN 0.174 nan 8.230 nan 0.000 0.421 544 L N 5.997 127.364 121.223 0.240 0.000 2.343 544 L HA 0.577 4.917 4.340 0.000 0.000 0.278 544 L C -1.149 175.928 176.870 0.345 0.000 0.996 544 L CA -0.258 54.790 54.840 0.346 0.000 0.831 544 L CB 1.271 43.495 42.059 0.276 0.000 1.232 544 L HN 0.431 nan 8.230 nan 0.000 0.413 545 I N 4.235 125.069 120.570 0.440 0.000 2.325 545 I HA 0.234 4.404 4.170 0.000 0.000 0.291 545 I C 0.005 176.380 176.117 0.430 0.000 1.019 545 I CA -0.121 61.433 61.300 0.423 0.000 1.302 545 I CB 1.120 39.407 38.000 0.479 0.000 1.401 545 I HN 0.604 nan 8.210 nan 0.000 0.485 546 D N 7.205 127.824 120.400 0.366 0.000 2.317 546 D HA 0.381 5.021 4.640 0.000 0.000 0.234 546 D C -0.764 175.630 176.300 0.158 0.000 1.112 546 D CA -0.142 54.014 54.000 0.259 0.000 0.840 546 D CB 1.419 42.416 40.800 0.329 0.000 1.078 546 D HN 0.148 nan 8.370 nan 0.000 0.486 547 V N 4.612 124.538 119.914 0.020 0.000 2.815 547 V HA 0.381 4.501 4.120 0.000 0.000 0.314 547 V C -0.148 176.059 176.094 0.188 0.000 1.064 547 V CA -0.704 61.676 62.300 0.133 0.000 0.952 547 V CB 1.774 33.685 31.823 0.146 0.000 1.020 547 V HN 0.625 nan 8.190 nan 0.000 0.439 548 Y N 2.093 122.464 120.300 0.119 0.000 3.211 548 Y HA 0.492 5.042 4.550 0.000 0.000 0.149 548 Y C 1.409 177.426 175.900 0.195 0.000 0.903 548 Y CA 0.648 58.839 58.100 0.152 0.000 1.888 548 Y CB -0.307 38.211 38.460 0.097 0.000 1.355 548 Y HN 1.007 nan 8.280 nan 0.000 0.280 549 A N 1.604 124.378 122.820 -0.076 0.000 2.783 549 A HA -0.075 4.245 4.320 0.000 0.000 0.292 549 A C 0.817 178.125 177.584 -0.460 0.000 1.495 549 A CA 1.348 53.277 52.037 -0.180 0.000 0.787 549 A CB -2.219 16.836 19.000 0.093 0.000 1.017 549 A HN 1.117 nan 8.150 nan 0.000 0.516 550 G N -1.264 106.819 108.800 -1.194 0.000 2.547 550 G HA2 0.579 4.539 3.960 0.000 0.000 0.291 550 G HA3 0.579 4.539 3.960 0.000 0.000 0.291 550 G C -2.484 171.889 174.900 -0.877 0.000 1.211 550 G CA -1.452 42.675 45.100 -1.621 0.000 0.950 550 G HN 0.268 nan 8.290 nan 0.000 0.504 551 P HA 0.073 nan 4.420 nan 0.000 0.265 551 P C 0.587 177.665 177.300 -0.370 0.000 1.193 551 P CA 0.133 62.894 63.100 -0.565 0.000 0.765 551 P CB 0.715 31.731 31.700 -1.139 0.000 0.823 552 C N 2.574 121.726 119.300 -0.247 0.000 4.268 552 C HA -0.140 4.320 4.460 0.000 0.000 0.299 552 C C 0.822 175.743 174.990 -0.115 0.000 1.429 552 C CA 1.052 59.913 59.018 -0.262 0.000 2.018 552 C CB -2.807 24.694 27.740 -0.398 0.000 1.277 552 C HN 0.769 nan 8.230 nan 0.000 0.767 553 S N -0.030 115.562 115.700 -0.180 0.000 2.687 553 S HA 0.696 5.166 4.470 0.000 0.000 0.283 553 S C -0.741 173.888 174.600 0.048 0.000 1.170 553 S CA -0.198 57.930 58.200 -0.121 0.000 1.008 553 S CB 1.827 64.497 63.200 -0.884 0.000 1.026 553 S HN 0.817 nan 8.310 nan 0.000 0.541 554 Q N 0.063 120.003 119.800 0.232 0.000 2.334 554 Q HA 0.337 4.677 4.340 0.000 0.000 0.249 554 Q C -0.736 175.420 176.000 0.259 0.000 0.909 554 Q CA -0.624 55.333 55.803 0.258 0.000 0.823 554 Q CB 1.101 30.069 28.738 0.383 0.000 1.353 554 Q HN 0.694 nan 8.270 nan 0.000 0.433 555 K N 0.736 121.272 120.400 0.225 0.000 2.370 555 K HA 0.298 4.618 4.320 0.000 0.000 0.194 555 K C 0.018 176.737 176.600 0.197 0.000 1.070 555 K CA 0.403 56.826 56.287 0.226 0.000 0.998 555 K CB 1.173 33.824 32.500 0.252 0.000 0.911 555 K HN 0.492 nan 8.250 nan 0.000 0.533 556 A N 3.098 126.044 122.820 0.210 0.000 2.366 556 A HA 0.367 4.687 4.320 0.000 0.000 0.322 556 A C -0.743 176.931 177.584 0.150 0.000 1.397 556 A CA -0.437 51.729 52.037 0.216 0.000 0.984 556 A CB -0.227 18.964 19.000 0.319 0.000 1.149 556 A HN 0.280 nan 8.150 nan 0.000 0.540 557 D N 0.346 120.798 120.400 0.087 0.000 2.664 557 D HA 0.548 5.188 4.640 0.000 0.000 0.292 557 D C -0.036 176.257 176.300 -0.012 0.000 1.214 557 D CA -0.013 54.008 54.000 0.036 0.000 0.932 557 D CB 1.237 42.026 40.800 -0.019 0.000 1.420 557 D HN 0.234 nan 8.370 nan 0.000 0.471 558 A N -0.535 122.286 122.820 0.001 0.000 2.640 558 A HA 0.643 4.963 4.320 0.000 0.000 0.282 558 A C 0.401 177.925 177.584 -0.100 0.000 1.357 558 A CA 0.028 52.074 52.037 0.015 0.000 0.946 558 A CB -1.009 18.063 19.000 0.120 0.000 1.065 558 A HN 0.714 nan 8.150 nan 0.000 0.541 559 A N -0.174 122.451 122.820 -0.325 0.000 2.301 559 A HA 0.605 4.925 4.320 0.000 0.000 0.312 559 A C -0.409 177.114 177.584 -0.102 0.000 1.182 559 A CA -0.524 51.310 52.037 -0.338 0.000 0.826 559 A CB 0.105 18.709 19.000 -0.660 0.000 1.134 559 A HN 0.605 nan 8.150 nan 0.000 0.501 560 F N 2.681 122.556 119.950 -0.125 0.000 2.456 560 F HA 0.589 5.117 4.527 0.000 0.000 0.358 560 F C 0.516 176.288 175.800 -0.047 0.000 1.095 560 F CA 0.318 58.272 58.000 -0.076 0.000 1.216 560 F CB 0.504 39.468 39.000 -0.059 0.000 1.125 560 F HN 0.632 nan 8.300 nan 0.000 0.549 561 R N 5.448 125.321 120.500 -1.046 0.000 2.707 561 R HA 0.544 4.884 4.340 0.000 0.000 0.272 561 R C -1.720 174.091 176.300 -0.815 0.000 1.011 561 R CA -1.012 54.631 56.100 -0.763 0.000 0.893 561 R CB 1.964 32.084 30.300 -0.300 0.000 1.233 561 R HN 0.703 nan 8.270 nan 0.000 0.464 562 L N 3.737 124.709 121.223 -0.418 0.000 2.433 562 L HA 0.357 4.697 4.340 0.000 0.000 0.256 562 L C -0.817 176.143 176.870 0.150 0.000 1.063 562 L CA -0.607 54.125 54.840 -0.179 0.000 0.922 562 L CB 0.572 42.605 42.059 -0.042 0.000 1.238 562 L HN 0.711 nan 8.230 nan 0.000 0.466 563 N N -0.855 117.911 118.700 0.110 0.000 3.184 563 N HA 0.221 4.962 4.740 0.000 0.000 0.353 563 N C 0.428 175.796 175.510 -0.237 0.000 1.441 563 N CA -0.829 52.299 53.050 0.130 0.000 0.723 563 N CB 0.209 38.767 38.487 0.119 0.000 1.547 563 N HN 0.223 nan 8.380 nan 0.000 0.624 564 W N 0.201 120.982 121.300 -0.866 0.000 2.358 564 W HA 0.159 4.819 4.660 0.000 0.000 0.303 564 W C 2.063 178.490 176.519 -0.154 0.000 1.208 564 W CA 2.376 59.231 57.345 -0.817 0.000 1.274 564 W CB -0.984 28.066 29.460 -0.683 0.000 1.138 564 W HN 0.658 nan 8.180 nan 0.000 0.515 565 A N -0.440 122.345 122.820 -0.058 0.000 2.024 565 A HA -0.208 4.112 4.320 0.000 0.000 0.220 565 A C 1.925 179.432 177.584 -0.127 0.000 1.164 565 A CA 2.413 54.370 52.037 -0.133 0.000 0.643 565 A CB -1.220 17.795 19.000 0.025 0.000 0.806 565 A HN 0.308 nan 8.150 nan 0.000 0.451 566 T N -1.432 113.101 114.554 -0.036 0.000 2.708 566 T HA -0.172 4.178 4.350 0.000 0.000 0.266 566 T C 1.807 176.599 174.700 0.154 0.000 1.037 566 T CA 1.655 63.754 62.100 -0.001 0.000 1.146 566 T CB -0.467 68.366 68.868 -0.059 0.000 0.865 566 T HN 0.683 nan 8.240 nan 0.000 0.435 567 Y N 2.015 122.413 120.300 0.163 0.000 2.181 567 Y HA -0.048 4.502 4.550 0.000 0.000 0.288 567 Y C 1.949 177.796 175.900 -0.089 0.000 1.146 567 Y CA 1.020 59.173 58.100 0.088 0.000 1.164 567 Y CB -0.712 37.717 38.460 -0.052 0.000 0.982 567 Y HN 0.113 nan 8.280 nan 0.000 0.515 568 L N -0.043 120.847 121.223 -0.556 0.000 2.187 568 L HA -0.218 4.122 4.340 0.000 0.000 0.213 568 L C 2.642 179.260 176.870 -0.420 0.000 1.100 568 L CA 1.247 55.680 54.840 -0.677 0.000 0.765 568 L CB -0.763 40.911 42.059 -0.643 0.000 0.904 568 L HN 0.467 nan 8.230 nan 0.000 0.437 569 A N -1.577 121.072 122.820 -0.285 0.000 1.924 569 A HA -0.098 4.222 4.320 0.000 0.000 0.211 569 A C 2.388 179.874 177.584 -0.163 0.000 1.198 569 A CA 1.046 52.958 52.037 -0.208 0.000 0.657 569 A CB -0.361 18.520 19.000 -0.198 0.000 0.852 569 A HN 0.259 nan 8.150 nan 0.000 0.454 570 S N -1.036 114.590 115.700 -0.123 0.000 2.507 570 S HA -0.052 4.418 4.470 0.000 0.000 0.235 570 S C 1.268 175.839 174.600 -0.048 0.000 0.988 570 S CA 1.953 60.122 58.200 -0.053 0.000 0.944 570 S CB -0.153 63.083 63.200 0.060 0.000 0.762 570 S HN 0.531 nan 8.310 nan 0.000 0.526 571 T N -0.142 114.318 114.554 -0.158 0.000 3.028 571 T HA 0.256 4.606 4.350 0.000 0.000 0.262 571 T C 0.786 175.380 174.700 -0.178 0.000 0.916 571 T CA -0.270 61.748 62.100 -0.138 0.000 0.873 571 T CB 0.341 69.144 68.868 -0.109 0.000 1.232 571 T HN 0.218 nan 8.240 nan 0.000 0.529 572 E N 1.504 121.543 120.200 -0.268 0.000 2.526 572 E HA 0.234 4.584 4.350 0.000 0.000 0.208 572 E C -0.022 176.534 176.600 -0.073 0.000 0.997 572 E CA -0.087 56.211 56.400 -0.170 0.000 0.961 572 E CB 0.228 29.783 29.700 -0.241 0.000 1.030 572 E HN 0.253 nan 8.360 nan 0.000 0.483 573 N N 1.085 119.750 118.700 -0.060 0.000 2.727 573 N HA -0.196 4.544 4.740 0.000 0.000 0.249 573 N C -0.510 175.038 175.510 0.063 0.000 1.048 573 N CA 0.750 53.833 53.050 0.054 0.000 0.714 573 N CB -1.469 37.123 38.487 0.175 0.000 0.959 573 N HN 0.308 nan 8.380 nan 0.000 0.544 574 I N 0.823 121.354 120.570 -0.063 0.000 2.412 574 I HA 0.355 4.525 4.170 0.000 0.000 0.296 574 I C 0.949 176.991 176.117 -0.124 0.000 0.987 574 I CA -0.691 60.569 61.300 -0.067 0.000 1.180 574 I CB 1.538 39.510 38.000 -0.048 0.000 1.340 574 I HN -0.066 nan 8.210 nan 0.000 0.455 575 I N 6.318 126.821 120.570 -0.112 0.000 2.312 575 I HA 0.178 4.348 4.170 0.000 0.000 0.291 575 I C -0.480 175.581 176.117 -0.094 0.000 1.031 575 I CA -0.517 60.676 61.300 -0.178 0.000 1.293 575 I CB 1.112 38.998 38.000 -0.189 0.000 1.403 575 I HN 0.212 nan 8.210 nan 0.000 0.484 576 V N 6.718 126.576 119.914 -0.095 0.000 2.333 576 V HA 0.628 4.748 4.120 0.000 0.000 0.274 576 V C 0.379 176.479 176.094 0.010 0.000 1.028 576 V CA -0.442 61.861 62.300 0.004 0.000 0.851 576 V CB 0.946 32.776 31.823 0.011 0.000 1.000 576 V HN 0.808 nan 8.190 nan 0.000 0.456 577 A N 3.985 126.835 122.820 0.050 0.000 2.380 577 A HA 0.943 5.263 4.320 0.000 0.000 0.315 577 A C -0.209 177.523 177.584 0.246 0.000 1.101 577 A CA -0.533 51.536 52.037 0.054 0.000 0.771 577 A CB 1.854 20.687 19.000 -0.278 0.000 1.287 577 A HN 0.691 nan 8.150 nan 0.000 0.436 578 S N -0.096 115.809 115.700 0.341 0.000 2.568 578 S HA 0.792 5.262 4.470 0.000 0.000 0.293 578 S C -1.407 173.559 174.600 0.609 0.000 1.089 578 S CA -0.328 58.120 58.200 0.415 0.000 0.945 578 S CB 1.404 64.793 63.200 0.314 0.000 1.077 578 S HN 0.824 nan 8.310 nan 0.000 0.485 579 F N 1.906 122.084 119.950 0.379 0.000 2.585 579 F HA 0.380 4.907 4.527 0.000 0.000 0.319 579 F C -1.539 174.437 175.800 0.293 0.000 1.165 579 F CA -0.784 57.452 58.000 0.393 0.000 0.949 579 F CB 1.287 40.480 39.000 0.323 0.000 1.218 579 F HN 0.419 nan 8.300 nan 0.000 0.453 580 D N 5.229 125.481 120.400 -0.246 0.000 2.393 580 D HA 0.315 4.955 4.640 0.000 0.000 0.232 580 D C 0.477 176.456 176.300 -0.535 0.000 1.192 580 D CA 0.241 54.110 54.000 -0.218 0.000 0.882 580 D CB 1.442 42.251 40.800 0.014 0.000 1.038 580 D HN 0.759 nan 8.370 nan 0.000 0.499 581 G N 1.662 110.208 108.800 -0.423 0.000 2.695 581 G HA2 0.267 4.227 3.960 0.000 0.000 0.213 581 G HA3 0.267 4.227 3.960 0.000 0.000 0.213 581 G C 0.305 175.180 174.900 -0.042 0.000 1.406 581 G CA -0.661 44.230 45.100 -0.349 0.000 1.049 581 G HN 0.293 nan 8.290 nan 0.000 0.573 582 R N -0.868 119.599 120.500 -0.054 0.000 2.734 582 R HA 0.372 4.712 4.340 0.000 0.000 0.266 582 R C 1.183 177.503 176.300 0.034 0.000 1.044 582 R CA 1.180 57.325 56.100 0.075 0.000 1.128 582 R CB 0.261 30.593 30.300 0.053 0.000 1.010 582 R HN 1.082 nan 8.270 nan 0.000 0.461 583 G N 0.795 109.618 108.800 0.039 0.000 2.160 583 G HA2 -0.299 3.661 3.960 0.000 0.000 0.251 583 G HA3 -0.299 3.661 3.960 0.000 0.000 0.251 583 G C 0.017 174.879 174.900 -0.063 0.000 1.008 583 G CA 0.532 45.638 45.100 0.009 0.000 0.724 583 G HN 0.717 nan 8.290 nan 0.000 0.514 584 S N -1.325 114.340 115.700 -0.058 0.000 2.823 584 S HA 0.917 5.387 4.470 0.000 0.000 0.316 584 S C 1.501 176.019 174.600 -0.137 0.000 1.116 584 S CA 0.290 58.426 58.200 -0.107 0.000 0.911 584 S CB 1.432 64.591 63.200 -0.069 0.000 1.276 584 S HN 2.070 nan 8.310 nan 0.000 0.565 585 G N 0.268 108.994 108.800 -0.124 0.000 2.431 585 G HA2 -0.232 3.728 3.960 0.000 0.000 0.940 585 G HA3 -0.232 3.728 3.960 0.000 0.000 0.940 585 G C -0.715 173.952 174.900 -0.389 0.000 1.407 585 G CA 0.929 45.948 45.100 -0.135 0.000 0.878 585 G HN 0.948 nan 8.290 nan 0.000 0.500 586 Y N 0.548 120.842 120.300 -0.011 0.000 2.921 586 Y HA 0.542 5.092 4.550 0.000 0.000 0.346 586 Y C 1.050 176.915 175.900 -0.058 0.000 1.182 586 Y CA -0.352 57.728 58.100 -0.033 0.000 1.319 586 Y CB 0.581 39.055 38.460 0.023 0.000 1.403 586 Y HN 0.405 nan 8.280 nan 0.000 0.554 587 Q N 0.793 120.556 119.800 -0.060 0.000 2.139 587 Q HA 0.462 4.802 4.340 0.000 0.000 0.301 587 Q C 0.310 176.090 176.000 -0.367 0.000 0.874 587 Q CA -0.248 55.508 55.803 -0.079 0.000 1.116 587 Q CB 1.540 30.254 28.738 -0.040 0.000 1.278 587 Q HN 0.668 nan 8.270 nan 0.000 0.426 588 G N 0.671 109.116 108.800 -0.592 0.000 2.692 588 G HA2 -0.184 3.776 3.960 0.000 0.000 0.686 588 G HA3 -0.184 3.776 3.960 0.000 0.000 0.686 588 G C -0.376 174.118 174.900 -0.677 0.000 1.243 588 G CA -0.556 43.949 45.100 -0.992 0.000 0.782 588 G HN 0.183 nan 8.290 nan 0.000 0.625 589 D N 0.255 120.219 120.400 -0.727 0.000 2.264 589 D HA -0.061 4.579 4.640 0.000 0.000 0.208 589 D C 2.164 178.135 176.300 -0.547 0.000 0.966 589 D CA 1.156 54.660 54.000 -0.828 0.000 0.864 589 D CB 0.041 40.236 40.800 -1.008 0.000 0.933 589 D HN 0.606 nan 8.370 nan 0.000 0.499 590 K N 0.764 120.923 120.400 -0.402 0.000 2.063 590 K HA -0.137 4.183 4.320 0.000 0.000 0.208 590 K C 2.061 178.573 176.600 -0.148 0.000 1.048 590 K CA 0.924 57.081 56.287 -0.218 0.000 0.928 590 K CB -0.043 32.357 32.500 -0.166 0.000 0.713 590 K HN 0.128 nan 8.250 nan 0.000 0.442 591 I N 0.288 120.751 120.570 -0.178 0.000 2.277 591 I HA -0.232 3.939 4.170 0.000 0.000 0.243 591 I C 2.673 178.747 176.117 -0.071 0.000 1.094 591 I CA 0.774 62.034 61.300 -0.067 0.000 1.393 591 I CB -0.162 37.803 38.000 -0.059 0.000 1.078 591 I HN 0.299 nan 8.210 nan 0.000 0.417 592 M N 0.415 119.902 119.600 -0.189 0.000 2.059 592 M HA -0.231 4.249 4.480 0.000 0.000 0.259 592 M C 2.210 178.524 176.300 0.023 0.000 1.072 592 M CA 1.921 57.139 55.300 -0.137 0.000 1.117 592 M CB -0.336 32.086 32.600 -0.296 0.000 1.320 592 M HN 0.220 nan 8.290 nan 0.000 0.408 593 H N 0.243 119.169 119.070 -0.240 0.000 2.567 593 H HA 0.116 4.672 4.556 0.000 0.000 0.276 593 H C 1.834 177.147 175.328 -0.026 0.000 1.016 593 H CA 0.827 56.746 56.048 -0.214 0.000 1.186 593 H CB -0.870 28.680 29.762 -0.352 0.000 1.351 593 H HN 0.517 nan 8.280 nan 0.000 0.605 594 A N 0.418 123.297 122.820 0.099 0.000 2.070 594 A HA -0.099 4.221 4.320 0.000 0.000 0.220 594 A C 2.317 179.962 177.584 0.102 0.000 1.159 594 A CA 0.987 53.074 52.037 0.085 0.000 0.656 594 A CB -0.483 18.560 19.000 0.071 0.000 0.800 594 A HN 0.384 nan 8.150 nan 0.000 0.453 595 I N -1.008 119.642 120.570 0.132 0.000 3.228 595 I HA -0.046 4.124 4.170 0.000 0.000 0.279 595 I C 0.725 176.921 176.117 0.132 0.000 1.221 595 I CA -0.243 61.123 61.300 0.111 0.000 1.458 595 I CB -0.413 37.625 38.000 0.064 0.000 1.105 595 I HN 0.294 nan 8.210 nan 0.000 0.445 596 N N 2.634 121.468 118.700 0.224 0.000 1.990 596 N HA -0.243 4.497 4.740 0.000 0.000 0.291 596 N C 0.538 176.111 175.510 0.104 0.000 1.249 596 N CA 0.957 54.140 53.050 0.222 0.000 0.808 596 N CB 0.304 38.896 38.487 0.175 0.000 1.040 596 N HN 0.062 nan 8.380 nan 0.000 0.484 597 K N -0.602 119.827 120.400 0.049 0.000 3.363 597 K HA -0.266 4.054 4.320 0.000 0.000 0.313 597 K C -0.591 176.058 176.600 0.080 0.000 1.259 597 K CA 1.702 57.985 56.287 -0.008 0.000 0.942 597 K CB -1.376 31.096 32.500 -0.047 0.000 1.229 597 K HN 0.908 nan 8.250 nan 0.000 0.440 598 R N -0.627 119.937 120.500 0.106 0.000 2.924 598 R HA 0.376 4.716 4.340 0.000 0.000 0.233 598 R C -0.123 176.222 176.300 0.076 0.000 1.685 598 R CA -0.550 55.660 56.100 0.182 0.000 1.462 598 R CB -0.257 30.221 30.300 0.296 0.000 1.542 598 R HN -0.070 nan 8.270 nan 0.000 0.667 599 L N 1.099 122.317 121.223 -0.008 0.000 2.476 599 L HA 0.521 4.862 4.340 0.000 0.000 0.255 599 L C 1.269 178.299 176.870 0.267 0.000 1.218 599 L CA 0.395 55.276 54.840 0.068 0.000 0.819 599 L CB 0.485 42.446 42.059 -0.164 0.000 1.119 599 L HN 0.873 nan 8.230 nan 0.000 0.485 600 G N 0.401 109.453 108.800 0.420 0.000 2.198 600 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 600 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 600 G C 0.251 175.224 174.900 0.121 0.000 1.025 600 G CA 0.478 45.773 45.100 0.326 0.000 0.769 600 G HN 0.719 nan 8.290 nan 0.000 0.507 601 T N -0.648 113.969 114.554 0.105 0.000 1.812 601 T HA 0.377 4.727 4.350 0.000 0.000 0.173 601 T C 2.296 177.020 174.700 0.041 0.000 0.710 601 T CA 0.168 62.297 62.100 0.049 0.000 1.065 601 T CB -0.147 68.748 68.868 0.044 0.000 3.214 601 T HN 0.068 nan 8.240 nan 0.000 0.403 602 L N 2.058 123.306 121.223 0.042 0.000 2.021 602 L HA -0.181 4.159 4.340 0.000 0.000 0.215 602 L C 2.948 179.840 176.870 0.036 0.000 1.074 602 L CA 2.013 56.872 54.840 0.031 0.000 0.760 602 L CB -0.959 41.121 42.059 0.035 0.000 0.889 602 L HN 0.640 nan 8.230 nan 0.000 0.433 603 E N 0.750 120.987 120.200 0.062 0.000 2.160 603 E HA -0.178 4.172 4.350 0.000 0.000 0.195 603 E C 2.072 178.724 176.600 0.087 0.000 0.991 603 E CA 1.783 58.229 56.400 0.077 0.000 0.810 603 E CB -0.625 29.140 29.700 0.108 0.000 0.742 603 E HN 0.402 nan 8.360 nan 0.000 0.466 604 V N 1.742 121.694 119.914 0.063 0.000 2.255 604 V HA -0.230 3.891 4.120 0.000 0.000 0.243 604 V C 2.398 178.497 176.094 0.007 0.000 1.038 604 V CA 2.126 64.434 62.300 0.013 0.000 1.008 604 V CB -0.699 31.093 31.823 -0.052 0.000 0.645 604 V HN 0.217 nan 8.190 nan 0.000 0.449 605 E N 0.488 120.688 120.200 0.000 0.000 2.055 605 E HA -0.316 4.034 4.350 0.000 0.000 0.209 605 E C 1.916 178.510 176.600 -0.010 0.000 1.036 605 E CA 1.912 58.307 56.400 -0.008 0.000 0.849 605 E CB -0.420 29.272 29.700 -0.013 0.000 0.767 605 E HN 0.571 nan 8.360 nan 0.000 0.461 606 D N 0.104 120.500 120.400 -0.006 0.000 2.239 606 D HA -0.207 4.433 4.640 0.000 0.000 0.202 606 D C 1.908 178.226 176.300 0.030 0.000 0.993 606 D CA 1.180 55.177 54.000 -0.005 0.000 0.874 606 D CB -0.252 40.564 40.800 0.028 0.000 0.922 606 D HN 0.095 nan 8.370 nan 0.000 0.464 607 Q N -0.204 119.650 119.800 0.090 0.000 2.172 607 Q HA 0.041 4.381 4.340 0.000 0.000 0.200 607 Q C 2.068 178.116 176.000 0.080 0.000 0.964 607 Q CA 0.703 56.586 55.803 0.134 0.000 0.855 607 Q CB -0.037 28.787 28.738 0.143 0.000 0.918 607 Q HN 0.359 nan 8.270 nan 0.000 0.444 608 I N -0.109 120.503 120.570 0.069 0.000 2.233 608 I HA -0.185 3.985 4.170 0.000 0.000 0.243 608 I C 2.138 178.223 176.117 -0.053 0.000 1.093 608 I CA 0.734 62.118 61.300 0.140 0.000 1.380 608 I CB -0.248 37.825 38.000 0.122 0.000 1.067 608 I HN 0.172 nan 8.210 nan 0.000 0.413 609 E N 1.290 121.402 120.200 -0.146 0.000 2.070 609 E HA -0.257 4.093 4.350 0.000 0.000 0.197 609 E C 2.305 178.618 176.600 -0.479 0.000 1.004 609 E CA 1.743 57.988 56.400 -0.258 0.000 0.805 609 E CB -0.342 29.211 29.700 -0.244 0.000 0.744 609 E HN 0.465 nan 8.360 nan 0.000 0.451 610 A N 1.022 123.407 122.820 -0.725 0.000 1.948 610 A HA -0.198 4.122 4.320 0.000 0.000 0.220 610 A C 2.396 179.302 177.584 -1.130 0.000 1.177 610 A CA 2.529 53.791 52.037 -1.291 0.000 0.636 610 A CB -0.635 17.413 19.000 -1.586 0.000 0.815 610 A HN 0.311 nan 8.150 nan 0.000 0.449 611 A N -0.434 122.111 122.820 -0.459 0.000 1.873 611 A HA -0.127 4.193 4.320 0.000 0.000 0.215 611 A C 2.229 179.647 177.584 -0.277 0.000 1.186 611 A CA 1.335 53.256 52.037 -0.193 0.000 0.616 611 A CB -0.479 18.435 19.000 -0.143 0.000 0.823 611 A HN 0.449 nan 8.150 nan 0.000 0.442 612 R N -0.315 120.010 120.500 -0.291 0.000 2.122 612 R HA -0.191 4.149 4.340 0.000 0.000 0.236 612 R C 2.242 178.378 176.300 -0.273 0.000 1.129 612 R CA 1.777 57.730 56.100 -0.244 0.000 0.925 612 R CB -0.989 29.184 30.300 -0.212 0.000 0.850 612 R HN 0.611 nan 8.270 nan 0.000 0.431 613 Q N -0.034 119.532 119.800 -0.391 0.000 2.133 613 Q HA -0.141 4.199 4.340 0.000 0.000 0.208 613 Q C 2.274 178.084 176.000 -0.318 0.000 0.991 613 Q CA 1.581 57.145 55.803 -0.398 0.000 0.867 613 Q CB -0.557 27.839 28.738 -0.571 0.000 0.911 613 Q HN 0.472 nan 8.270 nan 0.000 0.417 614 F N 0.454 120.211 119.950 -0.322 0.000 2.134 614 F HA -0.192 4.335 4.527 0.000 0.000 0.299 614 F C 2.364 177.943 175.800 -0.369 0.000 1.097 614 F CA 0.270 58.067 58.000 -0.338 0.000 1.264 614 F CB -0.220 38.619 39.000 -0.269 0.000 1.001 614 F HN 0.025 nan 8.300 nan 0.000 0.479 615 L N 0.216 121.373 121.223 -0.110 0.000 2.017 615 L HA -0.250 4.090 4.340 0.000 0.000 0.208 615 L C 2.225 178.975 176.870 -0.200 0.000 1.073 615 L CA 1.530 56.268 54.840 -0.170 0.000 0.745 615 L CB -0.642 41.327 42.059 -0.150 0.000 0.894 615 L HN 0.066 nan 8.230 nan 0.000 0.432 616 K N -0.312 119.983 120.400 -0.175 0.000 2.360 616 K HA -0.133 4.187 4.320 0.000 0.000 0.201 616 K C 1.897 178.401 176.600 -0.160 0.000 1.046 616 K CA 1.099 57.298 56.287 -0.147 0.000 0.945 616 K CB -0.131 32.292 32.500 -0.129 0.000 0.750 616 K HN 0.347 nan 8.250 nan 0.000 0.464 617 M N -0.524 118.930 119.600 -0.242 0.000 2.630 617 M HA -0.029 4.451 4.480 0.000 0.000 0.254 617 M C 1.304 177.372 176.300 -0.387 0.000 1.092 617 M CA 0.834 55.969 55.300 -0.274 0.000 1.087 617 M CB 0.167 32.565 32.600 -0.338 0.000 1.453 617 M HN 0.482 nan 8.290 nan 0.000 0.509 618 G N 1.181 109.763 108.800 -0.364 0.000 5.064 618 G HA2 -0.340 3.620 3.960 0.000 0.000 0.277 618 G HA3 -0.340 3.620 3.960 0.000 0.000 0.277 618 G C 0.429 175.210 174.900 -0.199 0.000 1.580 618 G CA 0.119 45.100 45.100 -0.199 0.000 1.109 618 G HN 0.551 nan 8.290 nan 0.000 0.695 619 F N 2.140 122.159 119.950 0.115 0.000 2.613 619 F HA 0.441 4.969 4.527 0.000 0.000 0.290 619 F C 0.495 176.426 175.800 0.218 0.000 1.237 619 F CA 0.314 58.436 58.000 0.204 0.000 1.494 619 F CB -0.740 38.488 39.000 0.379 0.000 1.123 619 F HN 0.221 nan 8.300 nan 0.000 0.625 620 V N 1.209 121.095 119.914 -0.046 0.000 2.409 620 V HA 0.104 4.224 4.120 0.000 0.000 0.291 620 V C -0.126 175.941 176.094 -0.044 0.000 1.020 620 V CA -1.079 61.208 62.300 -0.021 0.000 0.848 620 V CB 1.398 33.145 31.823 -0.127 0.000 0.990 620 V HN 0.089 nan 8.190 nan 0.000 0.430 621 D N 3.783 124.162 120.400 -0.036 0.000 2.398 621 D HA -0.014 4.626 4.640 0.000 0.000 0.250 621 D C 1.591 177.841 176.300 -0.082 0.000 1.287 621 D CA 0.535 54.492 54.000 -0.073 0.000 0.992 621 D CB 1.044 41.780 40.800 -0.107 0.000 1.071 621 D HN 0.727 nan 8.370 nan 0.000 0.514 622 S N 3.600 119.252 115.700 -0.080 0.000 2.462 622 S HA -0.177 4.293 4.470 0.000 0.000 0.243 622 S C 1.420 175.982 174.600 -0.063 0.000 1.003 622 S CA 0.703 58.852 58.200 -0.086 0.000 0.970 622 S CB 0.012 63.160 63.200 -0.087 0.000 0.762 622 S HN 0.271 nan 8.310 nan 0.000 0.510 623 K N 0.637 121.008 120.400 -0.049 0.000 2.444 623 K HA 0.249 4.569 4.320 0.000 0.000 0.193 623 K C 0.172 176.783 176.600 0.018 0.000 1.024 623 K CA 0.257 56.533 56.287 -0.018 0.000 1.077 623 K CB 0.057 32.545 32.500 -0.021 0.000 0.833 623 K HN 0.391 nan 8.250 nan 0.000 0.517 624 R N 0.194 120.688 120.500 -0.009 0.000 2.818 624 R HA 0.250 4.590 4.340 0.000 0.000 0.258 624 R C -1.506 174.839 176.300 0.075 0.000 1.797 624 R CA -0.135 56.001 56.100 0.060 0.000 1.532 624 R CB 1.286 31.469 30.300 -0.195 0.000 1.413 624 R HN -0.238 nan 8.270 nan 0.000 0.622 625 V N 1.513 121.560 119.914 0.222 0.000 2.444 625 V HA 0.849 4.969 4.120 0.000 0.000 0.294 625 V C -0.083 176.251 176.094 0.401 0.000 1.022 625 V CA -0.699 61.720 62.300 0.199 0.000 0.850 625 V CB 1.616 33.373 31.823 -0.111 0.000 0.992 625 V HN 0.665 nan 8.190 nan 0.000 0.426 626 A N 4.941 128.089 122.820 0.546 0.000 2.414 626 A HA 1.027 5.347 4.320 0.000 0.000 0.278 626 A C -0.891 177.063 177.584 0.616 0.000 1.228 626 A CA -0.844 51.510 52.037 0.527 0.000 0.857 626 A CB 1.837 21.020 19.000 0.304 0.000 1.389 626 A HN 0.982 nan 8.150 nan 0.000 0.452 627 I N -0.238 120.618 120.570 0.477 0.000 2.741 627 I HA 0.505 4.675 4.170 0.000 0.000 0.288 627 I C -2.085 174.297 176.117 0.441 0.000 1.482 627 I CA -0.549 60.995 61.300 0.406 0.000 1.050 627 I CB 1.316 39.364 38.000 0.081 0.000 1.388 627 I HN 0.983 nan 8.210 nan 0.000 0.428 628 W N 6.996 128.430 121.300 0.223 0.000 3.032 628 W HA 0.934 5.594 4.660 0.000 0.000 0.341 628 W C -1.172 175.483 176.519 0.227 0.000 1.202 628 W CA -1.165 56.308 57.345 0.213 0.000 1.132 628 W CB 1.118 30.741 29.460 0.271 0.000 1.465 628 W HN 0.832 nan 8.180 nan 0.000 0.576 629 G N -0.024 108.756 108.800 -0.034 0.000 2.579 629 G HA2 0.434 4.394 3.960 0.000 0.000 0.292 629 G HA3 0.434 4.394 3.960 0.000 0.000 0.292 629 G C -2.772 172.081 174.900 -0.079 0.000 1.484 629 G CA -0.743 44.193 45.100 -0.274 0.000 0.813 629 G HN 0.629 nan 8.290 nan 0.000 0.515 630 W N 1.079 122.226 121.300 -0.255 0.000 2.706 630 W HA 0.606 5.266 4.660 0.000 0.000 0.346 630 W C 1.003 177.496 176.519 -0.043 0.000 1.071 630 W CA 0.402 57.665 57.345 -0.136 0.000 1.206 630 W CB 2.011 31.363 29.460 -0.180 0.000 1.413 630 W HN 1.229 nan 8.180 nan 0.000 0.542 631 S N 2.355 118.295 115.700 0.401 0.000 4.150 631 S HA -0.441 4.029 4.470 0.000 0.000 0.541 631 S C 1.288 176.022 174.600 0.222 0.000 1.860 631 S CA 2.237 60.644 58.200 0.346 0.000 4.226 631 S CB -1.895 61.558 63.200 0.421 0.000 0.445 631 S HN 0.721 nan 8.310 nan 0.000 0.470 632 Y N 2.166 122.575 120.300 0.181 0.000 2.181 632 Y HA 0.047 4.597 4.550 0.000 0.000 0.288 632 Y C 2.499 178.602 175.900 0.339 0.000 1.146 632 Y CA 2.407 60.685 58.100 0.296 0.000 1.164 632 Y CB -1.040 37.701 38.460 0.469 0.000 0.982 632 Y HN 0.534 nan 8.280 nan 0.000 0.515 633 G N -0.842 108.263 108.800 0.507 0.000 2.442 633 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 633 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 633 G C 1.843 176.851 174.900 0.180 0.000 1.141 633 G CA 0.772 46.074 45.100 0.337 0.000 0.763 633 G HN 0.572 nan 8.290 nan 0.000 0.554 634 G N -0.355 108.531 108.800 0.144 0.000 2.422 634 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 634 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 634 G C 1.553 176.517 174.900 0.106 0.000 1.140 634 G CA 1.068 46.223 45.100 0.091 0.000 0.775 634 G HN 0.449 nan 8.290 nan 0.000 0.545 635 Y N 1.453 121.717 120.300 -0.059 0.000 2.109 635 Y HA -0.110 4.441 4.550 0.000 0.000 0.285 635 Y C 2.731 178.587 175.900 -0.074 0.000 1.131 635 Y CA 1.608 59.619 58.100 -0.148 0.000 1.121 635 Y CB -0.551 37.690 38.460 -0.366 0.000 0.987 635 Y HN 0.015 nan 8.280 nan 0.000 0.495 636 V N -0.023 119.818 119.914 -0.120 0.000 2.332 636 V HA -0.347 3.773 4.120 0.000 0.000 0.248 636 V C 2.346 178.351 176.094 -0.149 0.000 1.055 636 V CA 2.429 64.627 62.300 -0.170 0.000 1.038 636 V CB -1.313 30.570 31.823 0.101 0.000 0.651 636 V HN 0.512 nan 8.190 nan 0.000 0.450 637 T N -0.004 114.523 114.554 -0.045 0.000 2.635 637 T HA -0.222 4.128 4.350 0.000 0.000 0.267 637 T C 2.146 176.788 174.700 -0.096 0.000 1.040 637 T CA 2.148 64.220 62.100 -0.046 0.000 1.156 637 T CB -0.328 68.590 68.868 0.084 0.000 0.863 637 T HN 0.536 nan 8.240 nan 0.000 0.430 638 S N 0.969 116.655 115.700 -0.023 0.000 2.382 638 S HA -0.006 4.464 4.470 0.000 0.000 0.228 638 S C 2.105 176.648 174.600 -0.095 0.000 1.027 638 S CA 0.958 59.164 58.200 0.011 0.000 0.991 638 S CB -0.285 62.976 63.200 0.102 0.000 0.823 638 S HN 0.352 nan 8.310 nan 0.000 0.469 639 M N 0.655 120.104 119.600 -0.251 0.000 2.296 639 M HA -0.008 4.472 4.480 0.000 0.000 0.265 639 M C 2.056 178.207 176.300 -0.249 0.000 1.064 639 M CA 0.921 56.047 55.300 -0.290 0.000 1.109 639 M CB -0.911 31.383 32.600 -0.510 0.000 1.396 639 M HN 0.202 nan 8.290 nan 0.000 0.430 640 V N 0.506 120.249 119.914 -0.285 0.000 2.302 640 V HA -0.201 3.919 4.120 0.000 0.000 0.243 640 V C 2.417 178.282 176.094 -0.381 0.000 1.036 640 V CA 1.165 63.269 62.300 -0.327 0.000 1.020 640 V CB -0.490 31.049 31.823 -0.472 0.000 0.657 640 V HN 0.381 nan 8.190 nan 0.000 0.453 641 L N 0.574 121.516 121.223 -0.468 0.000 2.079 641 L HA -0.119 4.221 4.340 0.000 0.000 0.210 641 L C 2.224 178.592 176.870 -0.837 0.000 1.081 641 L CA 1.743 56.214 54.840 -0.615 0.000 0.752 641 L CB -0.835 40.778 42.059 -0.743 0.000 0.896 641 L HN 0.507 nan 8.230 nan 0.000 0.433 642 G N -1.417 106.924 108.800 -0.764 0.000 3.181 642 G HA2 -0.033 3.928 3.960 0.000 0.000 0.219 642 G HA3 -0.033 3.928 3.960 0.000 0.000 0.219 642 G C 1.398 176.193 174.900 -0.175 0.000 1.182 642 G CA 0.576 45.396 45.100 -0.467 0.000 0.791 642 G HN 0.458 nan 8.290 nan 0.000 0.537 643 S N -0.882 114.704 115.700 -0.190 0.000 2.524 643 S HA 0.307 4.777 4.470 0.000 0.000 0.216 643 S C 1.867 176.425 174.600 -0.070 0.000 0.987 643 S CA 0.823 58.962 58.200 -0.101 0.000 0.909 643 S CB -0.008 63.137 63.200 -0.091 0.000 0.781 643 S HN 1.262 nan 8.310 nan 0.000 0.521 644 G N 2.007 110.751 108.800 -0.092 0.000 2.283 644 G HA2 -0.336 3.624 3.960 0.000 0.000 0.280 644 G HA3 -0.336 3.624 3.960 0.000 0.000 0.280 644 G C 0.810 175.700 174.900 -0.017 0.000 1.029 644 G CA 0.740 45.809 45.100 -0.050 0.000 0.840 644 G HN 1.267 nan 8.290 nan 0.000 0.505 645 S N -1.071 114.631 115.700 0.002 0.000 2.555 645 S HA 0.324 4.794 4.470 0.000 0.000 0.230 645 S C 2.469 177.089 174.600 0.032 0.000 0.978 645 S CA 1.302 59.518 58.200 0.026 0.000 0.934 645 S CB -0.096 63.144 63.200 0.066 0.000 0.766 645 S HN 2.340 nan 8.310 nan 0.000 0.533 646 G N 0.519 109.341 108.800 0.037 0.000 2.270 646 G HA2 -0.346 3.614 3.960 0.000 0.000 0.268 646 G HA3 -0.346 3.614 3.960 0.000 0.000 0.268 646 G C 0.839 175.755 174.900 0.028 0.000 0.982 646 G CA 0.517 45.635 45.100 0.029 0.000 0.628 646 G HN 0.772 nan 8.290 nan 0.000 0.544 647 V N -0.475 119.465 119.914 0.042 0.000 2.759 647 V HA 0.217 4.337 4.120 0.000 0.000 0.256 647 V C 1.064 176.990 176.094 -0.279 0.000 1.080 647 V CA 1.516 63.741 62.300 -0.125 0.000 1.101 647 V CB -0.528 31.168 31.823 -0.210 0.000 0.698 647 V HN 0.321 nan 8.190 nan 0.000 0.477 648 F N -0.719 119.237 119.950 0.009 0.000 2.508 648 F HA 0.470 4.997 4.527 0.000 0.000 0.325 648 F C 0.932 176.761 175.800 0.047 0.000 1.090 648 F CA -1.098 56.930 58.000 0.046 0.000 0.945 648 F CB 1.797 40.825 39.000 0.048 0.000 1.156 648 F HN -0.338 nan 8.300 nan 0.000 0.463 649 K N 1.083 121.639 120.400 0.259 0.000 2.044 649 K HA 0.123 4.443 4.320 0.000 0.000 0.204 649 K C 0.052 176.760 176.600 0.181 0.000 1.045 649 K CA 1.075 57.471 56.287 0.181 0.000 0.951 649 K CB 0.235 32.842 32.500 0.179 0.000 0.738 649 K HN 0.806 nan 8.250 nan 0.000 0.443 650 c N -2.439 116.295 118.600 0.223 0.000 3.336 650 c HA 0.949 5.519 4.570 0.000 0.000 0.352 650 c C 0.011 174.305 174.090 0.339 0.000 1.567 650 c CA -0.571 55.921 56.329 0.271 0.000 1.328 650 c CB 0.997 43.610 42.510 0.172 0.000 1.922 650 c HN 0.447 nan 8.230 nan 0.000 0.439 651 G N -0.410 108.662 108.800 0.455 0.000 2.579 651 G HA2 0.655 4.616 3.960 0.000 0.000 0.292 651 G HA3 0.655 4.616 3.960 0.000 0.000 0.292 651 G C -2.028 173.059 174.900 0.311 0.000 1.484 651 G CA -0.645 44.684 45.100 0.380 0.000 0.813 651 G HN 0.962 nan 8.290 nan 0.000 0.515 652 I N 0.475 121.205 120.570 0.267 0.000 2.499 652 I HA 0.645 4.815 4.170 0.000 0.000 0.288 652 I C 0.053 176.276 176.117 0.177 0.000 1.048 652 I CA -1.047 60.293 61.300 0.066 0.000 1.062 652 I CB 2.305 40.322 38.000 0.028 0.000 1.238 652 I HN 0.711 nan 8.210 nan 0.000 0.426 653 A N 6.309 129.134 122.820 0.008 0.000 2.319 653 A HA 0.788 5.108 4.320 0.000 0.000 0.310 653 A C -0.826 176.651 177.584 -0.178 0.000 1.152 653 A CA -0.522 51.524 52.037 0.015 0.000 0.783 653 A CB 1.230 20.310 19.000 0.134 0.000 1.184 653 A HN 0.435 nan 8.150 nan 0.000 0.474 654 V N 1.998 121.735 119.914 -0.296 0.000 2.417 654 V HA 0.589 4.709 4.120 0.000 0.000 0.291 654 V C 0.960 176.637 176.094 -0.695 0.000 1.024 654 V CA 0.284 62.175 62.300 -0.682 0.000 0.861 654 V CB 0.893 31.901 31.823 -1.359 0.000 0.985 654 V HN 2.125 nan 8.190 nan 0.000 0.436 655 A N 5.553 127.959 122.820 -0.689 0.000 2.415 655 A HA -0.105 4.215 4.320 0.000 0.000 0.292 655 A C -1.654 175.833 177.584 -0.161 0.000 1.452 655 A CA 0.471 52.086 52.037 -0.703 0.000 0.750 655 A CB -1.574 17.148 19.000 -0.463 0.000 1.099 655 A HN 0.629 nan 8.150 nan 0.000 0.391 656 P HA 0.453 nan 4.420 nan 0.000 0.276 656 P C -0.158 177.137 177.300 -0.009 0.000 1.261 656 P CA -0.295 62.808 63.100 0.005 0.000 0.800 656 P CB 1.226 32.946 31.700 0.033 0.000 1.066 657 V N 1.408 121.238 119.914 -0.140 0.000 2.398 657 V HA 0.128 4.248 4.120 0.000 0.000 0.286 657 V C 1.482 177.401 176.094 -0.292 0.000 1.026 657 V CA 0.203 62.282 62.300 -0.368 0.000 0.868 657 V CB 1.067 32.337 31.823 -0.923 0.000 0.982 657 V HN 0.711 nan 8.190 nan 0.000 0.443 658 S N 4.237 119.820 115.700 -0.194 0.000 2.502 658 S HA 0.227 4.697 4.470 0.000 0.000 0.215 658 S C 0.507 174.945 174.600 -0.270 0.000 1.009 658 S CA -0.357 57.773 58.200 -0.116 0.000 0.908 658 S CB 0.139 63.336 63.200 -0.004 0.000 0.801 658 S HN 0.862 nan 8.310 nan 0.000 0.505 659 R N -1.384 118.789 120.500 -0.545 0.000 2.633 659 R HA 0.257 4.597 4.340 0.000 0.000 0.256 659 R C -1.140 174.780 176.300 -0.633 0.000 1.131 659 R CA -0.904 54.831 56.100 -0.609 0.000 0.994 659 R CB -0.387 29.569 30.300 -0.573 0.000 1.261 659 R HN 0.128 nan 8.270 nan 0.000 0.446 660 W N 1.606 122.823 121.300 -0.137 0.000 2.387 660 W HA -0.064 4.596 4.660 0.000 0.000 0.272 660 W C 1.259 177.930 176.519 0.253 0.000 1.224 660 W CA 0.989 58.352 57.345 0.030 0.000 1.210 660 W CB 0.089 29.476 29.460 -0.122 0.000 1.125 660 W HN 0.744 nan 8.180 nan 0.000 0.572 661 E N -1.004 119.379 120.200 0.304 0.000 2.265 661 E HA -0.201 4.149 4.350 0.000 0.000 0.196 661 E C 1.539 178.349 176.600 0.349 0.000 0.996 661 E CA 1.114 57.675 56.400 0.268 0.000 0.832 661 E CB -0.396 29.366 29.700 0.104 0.000 0.756 661 E HN 0.348 nan 8.360 nan 0.000 0.491 662 Y N -1.294 119.134 120.300 0.212 0.000 2.395 662 Y HA 0.011 4.561 4.550 0.000 0.000 0.293 662 Y C 0.843 176.926 175.900 0.305 0.000 1.123 662 Y CA -0.209 58.005 58.100 0.189 0.000 1.227 662 Y CB -0.728 37.786 38.460 0.091 0.000 1.012 662 Y HN 0.030 nan 8.280 nan 0.000 0.552 663 Y N 2.319 122.836 120.300 0.361 0.000 2.298 663 Y HA 0.222 4.772 4.550 0.000 0.000 0.329 663 Y C 0.558 176.734 175.900 0.460 0.000 1.293 663 Y CA -1.893 56.445 58.100 0.396 0.000 1.388 663 Y CB 0.212 38.952 38.460 0.466 0.000 1.309 663 Y HN 0.228 nan 8.280 nan 0.000 0.544 664 D N -0.342 119.831 120.400 -0.378 0.000 2.362 664 D HA 0.049 4.689 4.640 0.000 0.000 0.238 664 D C 0.931 177.225 176.300 -0.010 0.000 1.212 664 D CA 0.454 54.279 54.000 -0.291 0.000 0.902 664 D CB 0.698 41.079 40.800 -0.699 0.000 1.180 664 D HN 0.478 nan 8.370 nan 0.000 0.445 665 S N 0.851 116.549 115.700 -0.004 0.000 2.344 665 S HA -0.219 4.251 4.470 0.000 0.000 0.217 665 S C 2.062 176.697 174.600 0.059 0.000 1.033 665 S CA 1.224 59.472 58.200 0.079 0.000 1.017 665 S CB -1.164 62.088 63.200 0.086 0.000 0.941 665 S HN 0.450 nan 8.310 nan 0.000 0.430 666 V N 1.078 120.983 119.914 -0.016 0.000 2.278 666 V HA -0.239 3.881 4.120 0.000 0.000 0.251 666 V C 2.296 178.306 176.094 -0.141 0.000 1.062 666 V CA 2.434 64.622 62.300 -0.187 0.000 1.038 666 V CB -1.185 30.405 31.823 -0.388 0.000 0.646 666 V HN 0.558 nan 8.190 nan 0.000 0.447 667 Y N 1.351 121.608 120.300 -0.071 0.000 2.092 667 Y HA -0.225 4.325 4.550 0.000 0.000 0.282 667 Y C 2.793 178.728 175.900 0.059 0.000 1.126 667 Y CA 2.341 60.484 58.100 0.071 0.000 1.111 667 Y CB -0.853 37.839 38.460 0.385 0.000 0.987 667 Y HN 0.213 nan 8.280 nan 0.000 0.489 668 T N 0.509 115.225 114.554 0.270 0.000 2.570 668 T HA -0.286 4.064 4.350 0.000 0.000 0.266 668 T C 1.645 176.271 174.700 -0.122 0.000 1.071 668 T CA 2.149 64.314 62.100 0.110 0.000 1.172 668 T CB -0.527 68.596 68.868 0.425 0.000 0.864 668 T HN 0.431 nan 8.240 nan 0.000 0.421 669 E N 0.381 120.568 120.200 -0.021 0.000 2.171 669 E HA -0.193 4.157 4.350 0.000 0.000 0.197 669 E C 2.340 178.790 176.600 -0.250 0.000 0.997 669 E CA 0.867 57.241 56.400 -0.044 0.000 0.810 669 E CB -0.186 29.538 29.700 0.040 0.000 0.738 669 E HN 0.359 nan 8.360 nan 0.000 0.467 670 R N -0.139 120.055 120.500 -0.510 0.000 2.139 670 R HA -0.203 4.137 4.340 0.000 0.000 0.243 670 R C 1.139 176.796 176.300 -1.072 0.000 1.145 670 R CA 1.639 57.226 56.100 -0.855 0.000 0.976 670 R CB 0.008 29.531 30.300 -1.295 0.000 0.866 670 R HN 0.303 nan 8.270 nan 0.000 0.449 671 Y N -2.717 117.207 120.300 -0.626 0.000 2.535 671 Y HA 0.231 4.781 4.550 0.000 0.000 0.264 671 Y C 1.745 177.418 175.900 -0.378 0.000 1.087 671 Y CA -0.371 57.362 58.100 -0.612 0.000 1.285 671 Y CB 0.400 38.358 38.460 -0.837 0.000 1.200 671 Y HN -0.067 nan 8.280 nan 0.000 0.514 672 M N 0.076 119.531 119.600 -0.242 0.000 2.382 672 M HA 0.354 4.834 4.480 0.000 0.000 0.247 672 M C 1.143 177.451 176.300 0.014 0.000 1.104 672 M CA 0.856 56.022 55.300 -0.222 0.000 1.030 672 M CB -0.586 31.672 32.600 -0.571 0.000 1.424 672 M HN 0.394 nan 8.290 nan 0.000 0.486 673 G N 1.708 110.523 108.800 0.024 0.000 2.598 673 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 673 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 673 G C -0.503 174.508 174.900 0.185 0.000 1.302 673 G CA -0.699 44.449 45.100 0.080 0.000 0.903 673 G HN 0.359 nan 8.290 nan 0.000 0.575 674 L N 2.044 123.340 121.223 0.121 0.000 2.325 674 L HA 0.435 4.775 4.340 0.000 0.000 0.279 674 L C -1.420 175.411 176.870 -0.066 0.000 1.054 674 L CA -1.828 53.038 54.840 0.044 0.000 0.804 674 L CB 2.011 44.071 42.059 0.001 0.000 1.200 674 L HN 0.454 nan 8.230 nan 0.000 0.436 675 P HA 0.023 nan 4.420 nan 0.000 0.238 675 P C -0.387 176.739 177.300 -0.289 0.000 1.714 675 P CA 0.001 62.623 63.100 -0.797 0.000 0.908 675 P CB -0.598 30.382 31.700 -1.199 0.000 1.893 676 T N -3.343 111.134 114.554 -0.127 0.000 2.887 676 T HA 0.425 4.775 4.350 0.000 0.000 0.288 676 T C -1.912 172.776 174.700 -0.019 0.000 1.021 676 T CA -2.458 59.605 62.100 -0.062 0.000 1.000 676 T CB 2.186 71.027 68.868 -0.045 0.000 1.034 676 T HN -0.210 nan 8.240 nan 0.000 0.467 677 P HA -0.134 nan 4.420 nan 0.000 0.220 677 P C 0.778 178.082 177.300 0.006 0.000 1.144 677 P CA 1.164 64.269 63.100 0.008 0.000 0.800 677 P CB 0.186 31.890 31.700 0.008 0.000 0.772 678 E N -1.034 119.165 120.200 -0.002 0.000 2.502 678 E HA -0.044 4.306 4.350 0.000 0.000 0.194 678 E C 0.965 177.563 176.600 -0.003 0.000 1.062 678 E CA 0.351 56.749 56.400 -0.003 0.000 0.867 678 E CB 0.088 29.784 29.700 -0.007 0.000 0.888 678 E HN 0.346 nan 8.360 nan 0.000 0.510 679 D N 0.393 120.793 120.400 0.000 0.000 2.988 679 D HA 0.009 4.650 4.640 0.000 0.000 0.159 679 D C -0.023 176.280 176.300 0.006 0.000 1.304 679 D CA -0.234 53.767 54.000 0.002 0.000 1.564 679 D CB -0.195 40.612 40.800 0.011 0.000 1.421 679 D HN -0.073 nan 8.370 nan 0.000 0.178 680 N N 0.346 119.076 118.700 0.050 0.000 2.338 680 N HA 0.085 4.825 4.740 0.000 0.000 0.251 680 N C 1.272 176.929 175.510 0.244 0.000 1.199 680 N CA -0.102 52.999 53.050 0.085 0.000 0.879 680 N CB 0.634 39.178 38.487 0.094 0.000 1.159 680 N HN 0.045 nan 8.380 nan 0.000 0.514 681 L N 0.740 122.046 121.223 0.138 0.000 2.081 681 L HA -0.163 4.177 4.340 0.000 0.000 0.212 681 L C 1.330 178.335 176.870 0.226 0.000 1.080 681 L CA 1.949 56.865 54.840 0.128 0.000 0.754 681 L CB -0.325 41.754 42.059 0.033 0.000 0.893 681 L HN 0.172 nan 8.230 nan 0.000 0.433 682 D N -1.243 119.284 120.400 0.212 0.000 2.084 682 D HA -0.190 4.450 4.640 0.000 0.000 0.194 682 D C 2.072 178.570 176.300 0.330 0.000 0.990 682 D CA 1.598 55.744 54.000 0.243 0.000 0.826 682 D CB -0.290 40.651 40.800 0.235 0.000 0.971 682 D HN 0.460 nan 8.370 nan 0.000 0.453 683 H N -0.904 118.253 119.070 0.146 0.000 2.456 683 H HA -0.056 4.501 4.556 0.000 0.000 0.296 683 H C 1.723 177.136 175.328 0.140 0.000 1.079 683 H CA 0.721 56.835 56.048 0.111 0.000 1.322 683 H CB -0.486 29.310 29.762 0.057 0.000 1.388 683 H HN 0.290 nan 8.280 nan 0.000 0.538 684 Y N 0.744 121.176 120.300 0.220 0.000 2.114 684 Y HA -0.144 4.406 4.550 0.000 0.000 0.284 684 Y C 2.453 178.436 175.900 0.139 0.000 1.143 684 Y CA 1.382 59.597 58.100 0.192 0.000 1.135 684 Y CB 0.019 38.564 38.460 0.142 0.000 0.980 684 Y HN 0.042 nan 8.280 nan 0.000 0.499 685 R N -0.069 120.600 120.500 0.282 0.000 2.285 685 R HA -0.116 4.224 4.340 0.000 0.000 0.213 685 R C 1.616 177.982 176.300 0.110 0.000 1.068 685 R CA 0.769 56.962 56.100 0.156 0.000 1.004 685 R CB -0.233 30.139 30.300 0.120 0.000 0.873 685 R HN 0.403 nan 8.270 nan 0.000 0.467 686 N N 0.513 119.283 118.700 0.117 0.000 2.336 686 N HA -0.061 4.679 4.740 0.000 0.000 0.177 686 N C 0.954 176.505 175.510 0.070 0.000 1.018 686 N CA 1.016 54.103 53.050 0.062 0.000 0.878 686 N CB 0.224 38.715 38.487 0.007 0.000 0.997 686 N HN 0.107 nan 8.380 nan 0.000 0.433 687 S N -0.047 115.728 115.700 0.125 0.000 2.859 687 S HA 0.120 4.590 4.470 0.000 0.000 0.245 687 S C 0.480 175.185 174.600 0.175 0.000 1.008 687 S CA -0.335 57.977 58.200 0.188 0.000 1.089 687 S CB -0.512 62.887 63.200 0.332 0.000 0.798 687 S HN -0.058 nan 8.310 nan 0.000 0.477 688 T N 1.390 115.992 114.554 0.080 0.000 2.897 688 T HA 0.277 4.627 4.350 0.000 0.000 0.294 688 T C 1.342 176.051 174.700 0.014 0.000 1.004 688 T CA -0.424 61.689 62.100 0.021 0.000 1.106 688 T CB 1.559 70.421 68.868 -0.009 0.000 0.949 688 T HN 0.111 nan 8.240 nan 0.000 0.520 689 V N 4.006 123.917 119.914 -0.005 0.000 2.488 689 V HA -0.115 4.005 4.120 0.000 0.000 0.246 689 V C 2.481 178.523 176.094 -0.087 0.000 1.046 689 V CA 1.167 63.444 62.300 -0.039 0.000 1.053 689 V CB -0.403 31.393 31.823 -0.044 0.000 0.679 689 V HN 0.826 nan 8.190 nan 0.000 0.458 690 M N 0.780 120.325 119.600 -0.090 0.000 2.279 690 M HA -0.073 4.407 4.480 0.000 0.000 0.264 690 M C 2.234 178.495 176.300 -0.066 0.000 1.062 690 M CA 1.989 57.224 55.300 -0.108 0.000 1.099 690 M CB -1.998 30.560 32.600 -0.070 0.000 1.394 690 M HN 0.526 nan 8.290 nan 0.000 0.426 691 S N 0.691 116.373 115.700 -0.031 0.000 2.595 691 S HA -0.010 4.461 4.470 0.000 0.000 0.235 691 S C 1.574 176.177 174.600 0.005 0.000 0.974 691 S CA 0.317 58.512 58.200 -0.007 0.000 0.942 691 S CB -0.445 62.759 63.200 0.006 0.000 0.766 691 S HN 0.645 nan 8.310 nan 0.000 0.536 692 R N -0.026 120.480 120.500 0.010 0.000 2.577 692 R HA 0.466 4.806 4.340 0.000 0.000 0.344 692 R C 1.909 178.291 176.300 0.136 0.000 1.037 692 R CA 0.400 56.544 56.100 0.074 0.000 1.102 692 R CB 0.003 30.368 30.300 0.108 0.000 1.313 692 R HN 0.415 nan 8.270 nan 0.000 0.561 693 A N 1.860 124.676 122.820 -0.007 0.000 1.884 693 A HA -0.251 4.069 4.320 0.000 0.000 0.219 693 A C 1.891 179.535 177.584 0.101 0.000 1.197 693 A CA 1.460 53.448 52.037 -0.082 0.000 0.637 693 A CB -0.188 18.748 19.000 -0.107 0.000 0.827 693 A HN 0.208 nan 8.150 nan 0.000 0.450 694 E N 0.285 120.537 120.200 0.087 0.000 2.055 694 E HA -0.242 4.108 4.350 0.000 0.000 0.209 694 E C 1.638 178.319 176.600 0.135 0.000 1.036 694 E CA 1.667 58.124 56.400 0.095 0.000 0.849 694 E CB -0.619 29.117 29.700 0.060 0.000 0.767 694 E HN 0.620 nan 8.360 nan 0.000 0.461 695 N N 0.229 119.006 118.700 0.129 0.000 2.586 695 N HA -0.157 4.583 4.740 0.000 0.000 0.191 695 N C 1.352 176.878 175.510 0.026 0.000 1.085 695 N CA 0.561 53.648 53.050 0.061 0.000 0.921 695 N CB -0.420 38.062 38.487 -0.009 0.000 0.954 695 N HN 0.136 nan 8.380 nan 0.000 0.448 696 F N 1.173 121.092 119.950 -0.051 0.000 2.748 696 F HA 0.098 4.625 4.527 0.000 0.000 0.299 696 F C 1.861 177.676 175.800 0.025 0.000 1.154 696 F CA 0.355 58.323 58.000 -0.054 0.000 1.446 696 F CB 0.079 39.013 39.000 -0.110 0.000 1.112 696 F HN -0.038 nan 8.300 nan 0.000 0.584 697 K N 0.196 120.701 120.400 0.174 0.000 2.209 697 K HA -0.161 4.159 4.320 0.000 0.000 0.204 697 K C 0.888 177.546 176.600 0.096 0.000 1.048 697 K CA 1.046 57.414 56.287 0.134 0.000 0.940 697 K CB -0.306 32.254 32.500 0.099 0.000 0.729 697 K HN 0.435 nan 8.250 nan 0.000 0.451 698 Q N 0.875 120.708 119.800 0.055 0.000 2.244 698 Q HA 0.172 4.513 4.340 0.000 0.000 0.239 698 Q C -0.747 175.272 176.000 0.032 0.000 0.890 698 Q CA -0.153 55.671 55.803 0.036 0.000 0.964 698 Q CB 0.548 29.293 28.738 0.012 0.000 1.076 698 Q HN -0.091 nan 8.270 nan 0.000 0.447 699 V N 0.231 120.183 119.914 0.063 0.000 3.077 699 V HA 0.143 4.264 4.120 0.000 0.000 0.299 699 V C -1.019 175.197 176.094 0.202 0.000 1.276 699 V CA -1.002 61.350 62.300 0.086 0.000 0.993 699 V CB 2.687 34.483 31.823 -0.046 0.000 1.076 699 V HN 0.213 nan 8.190 nan 0.000 0.434 700 E N 2.649 122.995 120.200 0.244 0.000 2.130 700 E HA 0.392 4.742 4.350 0.000 0.000 0.284 700 E C -1.642 175.310 176.600 0.587 0.000 1.018 700 E CA -0.330 56.285 56.400 0.359 0.000 0.817 700 E CB 1.337 31.176 29.700 0.232 0.000 1.078 700 E HN 0.518 nan 8.360 nan 0.000 0.396 701 Y N 3.486 124.030 120.300 0.407 0.000 2.393 701 Y HA 0.457 5.007 4.550 0.000 0.000 0.341 701 Y C -1.477 174.507 175.900 0.140 0.000 0.988 701 Y CA -1.575 56.708 58.100 0.305 0.000 1.078 701 Y CB 1.059 39.744 38.460 0.375 0.000 1.203 701 Y HN 0.400 nan 8.280 nan 0.000 0.453 702 L N 7.731 128.632 121.223 -0.537 0.000 2.372 702 L HA 0.535 4.875 4.340 0.000 0.000 0.273 702 L C -2.188 174.217 176.870 -0.775 0.000 0.989 702 L CA -0.703 53.696 54.840 -0.735 0.000 0.841 702 L CB 1.154 42.450 42.059 -1.273 0.000 1.225 702 L HN 0.651 nan 8.230 nan 0.000 0.414 703 L N 6.423 127.257 121.223 -0.648 0.000 2.282 703 L HA 0.666 5.006 4.340 0.000 0.000 0.288 703 L C -0.960 175.762 176.870 -0.247 0.000 1.033 703 L CA 0.100 54.629 54.840 -0.519 0.000 0.807 703 L CB 1.013 42.772 42.059 -0.499 0.000 1.209 703 L HN 0.574 nan 8.230 nan 0.000 0.423 704 I N 4.511 124.945 120.570 -0.226 0.000 2.545 704 I HA 0.436 4.606 4.170 0.000 0.000 0.292 704 I C -1.052 175.011 176.117 -0.090 0.000 1.040 704 I CA -0.689 60.529 61.300 -0.137 0.000 1.068 704 I CB 1.935 39.813 38.000 -0.203 0.000 1.251 704 I HN 0.657 nan 8.210 nan 0.000 0.424 705 H N 2.256 121.361 119.070 0.058 0.000 2.996 705 H HA 0.578 5.134 4.556 0.000 0.000 0.368 705 H C -0.338 175.187 175.328 0.328 0.000 1.185 705 H CA -0.554 55.590 56.048 0.160 0.000 1.160 705 H CB 2.206 32.072 29.762 0.173 0.000 1.820 705 H HN 0.714 nan 8.280 nan 0.000 0.547 706 G N 1.202 110.313 108.800 0.519 0.000 2.338 706 G HA2 0.167 4.127 3.960 0.000 0.000 0.298 706 G HA3 0.167 4.127 3.960 0.000 0.000 0.298 706 G C 0.724 175.860 174.900 0.395 0.000 1.140 706 G CA -0.189 45.171 45.100 0.433 0.000 0.860 706 G HN 0.716 nan 8.290 nan 0.000 0.470 707 T N 1.876 116.542 114.554 0.187 0.000 2.803 707 T HA -0.069 4.281 4.350 0.000 0.000 0.269 707 T C 1.990 176.607 174.700 -0.139 0.000 1.052 707 T CA 1.902 63.955 62.100 -0.079 0.000 1.136 707 T CB -0.040 68.828 68.868 -0.000 0.000 0.864 707 T HN 0.652 nan 8.240 nan 0.000 0.467 708 A N 1.115 123.885 122.820 -0.084 0.000 2.965 708 A HA 0.272 4.592 4.320 0.000 0.000 0.304 708 A C 0.046 177.413 177.584 -0.362 0.000 1.214 708 A CA -0.461 51.319 52.037 -0.429 0.000 0.977 708 A CB 0.011 19.032 19.000 0.035 0.000 1.127 708 A HN 0.203 nan 8.150 nan 0.000 0.572 709 D N 1.550 121.878 120.400 -0.120 0.000 2.374 709 D HA 0.004 4.644 4.640 0.000 0.000 0.240 709 D C 0.236 176.573 176.300 0.061 0.000 1.229 709 D CA 0.062 54.144 54.000 0.137 0.000 0.895 709 D CB 0.692 41.744 40.800 0.420 0.000 1.046 709 D HN 0.586 nan 8.370 nan 0.000 0.498 710 D N 2.376 122.837 120.400 0.101 0.000 2.347 710 D HA -0.140 4.500 4.640 0.000 0.000 0.213 710 D C 0.988 177.277 176.300 -0.019 0.000 0.985 710 D CA -0.082 53.978 54.000 0.100 0.000 0.879 710 D CB 0.423 41.251 40.800 0.046 0.000 0.919 710 D HN 0.223 nan 8.370 nan 0.000 0.526 711 N N 0.943 119.715 118.700 0.119 0.000 2.244 711 N HA -0.065 4.675 4.740 0.000 0.000 0.189 711 N C 0.071 175.538 175.510 -0.071 0.000 1.047 711 N CA 0.654 53.801 53.050 0.161 0.000 0.870 711 N CB 0.357 38.881 38.487 0.061 0.000 1.041 711 N HN -0.087 nan 8.380 nan 0.000 0.448 712 V N 3.334 123.236 119.914 -0.019 0.000 2.259 712 V HA 0.179 4.299 4.120 0.000 0.000 0.267 712 V C 0.529 176.741 176.094 0.196 0.000 1.051 712 V CA -0.570 61.786 62.300 0.094 0.000 0.830 712 V CB 0.327 32.258 31.823 0.180 0.000 1.080 712 V HN 0.363 nan 8.190 nan 0.000 0.467 713 H N 3.326 122.442 119.070 0.076 0.000 2.539 713 H HA -0.253 4.303 4.556 0.000 0.000 0.295 713 H C 1.578 176.893 175.328 -0.022 0.000 1.092 713 H CA 1.834 57.861 56.048 -0.035 0.000 1.185 713 H CB -0.228 29.419 29.762 -0.192 0.000 1.343 713 H HN 0.801 nan 8.280 nan 0.000 0.577 714 F N -0.395 119.355 119.950 -0.335 0.000 2.518 714 F HA -0.447 4.080 4.527 0.000 0.000 0.648 714 F C 2.053 177.607 175.800 -0.409 0.000 0.494 714 F CA 1.929 59.435 58.000 -0.822 0.000 0.962 714 F CB -1.140 37.588 39.000 -0.453 0.000 1.777 714 F HN 0.308 nan 8.300 nan 0.000 0.262 715 Q N 0.864 120.578 119.800 -0.143 0.000 2.197 715 Q HA -0.276 4.064 4.340 0.000 0.000 0.207 715 Q C 1.732 177.525 176.000 -0.344 0.000 0.984 715 Q CA 2.153 57.812 55.803 -0.239 0.000 0.869 715 Q CB -0.234 28.326 28.738 -0.297 0.000 0.906 715 Q HN 0.799 nan 8.270 nan 0.000 0.426 716 Q N -0.100 119.553 119.800 -0.245 0.000 1.993 716 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 716 Q C 2.291 178.203 176.000 -0.146 0.000 0.984 716 Q CA 1.812 57.583 55.803 -0.053 0.000 0.837 716 Q CB -0.292 28.491 28.738 0.075 0.000 0.902 716 Q HN 0.326 nan 8.270 nan 0.000 0.423 717 S N 1.040 116.549 115.700 -0.320 0.000 2.383 717 S HA -0.065 4.405 4.470 0.000 0.000 0.227 717 S C 2.076 176.424 174.600 -0.421 0.000 1.026 717 S CA 0.876 58.881 58.200 -0.324 0.000 0.981 717 S CB -0.219 62.791 63.200 -0.317 0.000 0.818 717 S HN 0.487 nan 8.310 nan 0.000 0.472 718 A N 0.919 123.367 122.820 -0.620 0.000 1.972 718 A HA -0.163 4.158 4.320 0.000 0.000 0.219 718 A C 2.078 179.543 177.584 -0.199 0.000 1.169 718 A CA 1.627 53.421 52.037 -0.405 0.000 0.635 718 A CB -0.555 18.244 19.000 -0.336 0.000 0.810 718 A HN 0.395 nan 8.150 nan 0.000 0.446 719 Q N -0.352 119.346 119.800 -0.170 0.000 2.245 719 Q HA 0.093 4.433 4.340 0.000 0.000 0.201 719 Q C 1.716 177.669 176.000 -0.079 0.000 0.955 719 Q CA 1.080 56.845 55.803 -0.064 0.000 0.870 719 Q CB -0.302 28.473 28.738 0.062 0.000 0.945 719 Q HN 0.736 nan 8.270 nan 0.000 0.461 720 I N -0.423 120.065 120.570 -0.136 0.000 2.235 720 I HA -0.232 3.938 4.170 0.000 0.000 0.241 720 I C 2.169 178.124 176.117 -0.270 0.000 1.085 720 I CA 1.181 62.358 61.300 -0.205 0.000 1.378 720 I CB -0.455 37.418 38.000 -0.212 0.000 1.076 720 I HN 0.232 nan 8.210 nan 0.000 0.415 721 S N 1.120 116.668 115.700 -0.254 0.000 2.359 721 S HA -0.305 4.165 4.470 0.000 0.000 0.224 721 S C 2.033 176.628 174.600 -0.009 0.000 1.035 721 S CA 1.568 59.656 58.200 -0.186 0.000 1.018 721 S CB -0.574 62.660 63.200 0.056 0.000 0.876 721 S HN 0.376 nan 8.310 nan 0.000 0.448 722 K N 1.834 122.220 120.400 -0.024 0.000 2.063 722 K HA -0.073 4.247 4.320 0.000 0.000 0.208 722 K C 2.348 178.942 176.600 -0.010 0.000 1.048 722 K CA 1.248 57.539 56.287 0.005 0.000 0.928 722 K CB -0.679 31.813 32.500 -0.012 0.000 0.713 722 K HN 0.448 nan 8.250 nan 0.000 0.442 723 A N 1.350 124.132 122.820 -0.062 0.000 1.877 723 A HA -0.134 4.186 4.320 0.000 0.000 0.216 723 A C 2.133 179.673 177.584 -0.074 0.000 1.186 723 A CA 1.395 53.387 52.037 -0.075 0.000 0.620 723 A CB -0.602 18.323 19.000 -0.124 0.000 0.822 723 A HN 0.333 nan 8.150 nan 0.000 0.443 724 L N -0.628 120.525 121.223 -0.117 0.000 2.093 724 L HA -0.126 4.214 4.340 0.000 0.000 0.208 724 L C 2.469 179.406 176.870 0.112 0.000 1.085 724 L CA 0.795 55.606 54.840 -0.049 0.000 0.755 724 L CB -0.490 41.486 42.059 -0.140 0.000 0.904 724 L HN 0.236 nan 8.230 nan 0.000 0.435 725 V N -0.275 119.731 119.914 0.153 0.000 2.427 725 V HA -0.263 3.857 4.120 0.000 0.000 0.248 725 V C 1.929 178.070 176.094 0.078 0.000 1.051 725 V CA 1.750 64.137 62.300 0.146 0.000 1.048 725 V CB -0.474 31.432 31.823 0.137 0.000 0.666 725 V HN 0.436 nan 8.190 nan 0.000 0.456 726 D N 0.376 120.806 120.400 0.050 0.000 2.269 726 D HA -0.011 4.629 4.640 0.000 0.000 0.208 726 D C 1.976 178.296 176.300 0.034 0.000 0.963 726 D CA 1.329 55.349 54.000 0.033 0.000 0.864 726 D CB -0.003 40.809 40.800 0.019 0.000 0.936 726 D HN 0.480 nan 8.370 nan 0.000 0.505 727 A N -0.051 122.792 122.820 0.038 0.000 2.218 727 A HA 0.402 4.723 4.320 0.000 0.000 0.209 727 A C 1.646 179.266 177.584 0.060 0.000 1.168 727 A CA 0.818 52.880 52.037 0.041 0.000 0.804 727 A CB -0.149 18.870 19.000 0.032 0.000 0.834 727 A HN 0.187 nan 8.150 nan 0.000 0.482 728 G N -0.746 108.097 108.800 0.071 0.000 2.246 728 G HA2 -0.151 3.809 3.960 0.000 0.000 0.273 728 G HA3 -0.151 3.809 3.960 0.000 0.000 0.273 728 G C -0.094 174.866 174.900 0.099 0.000 1.055 728 G CA 0.266 45.410 45.100 0.074 0.000 0.851 728 G HN 0.870 nan 8.290 nan 0.000 0.500 729 V N 0.438 120.437 119.914 0.142 0.000 2.357 729 V HA 0.440 4.560 4.120 0.000 0.000 0.284 729 V C 0.368 176.624 176.094 0.269 0.000 1.018 729 V CA -0.744 61.673 62.300 0.196 0.000 0.841 729 V CB 1.675 33.629 31.823 0.218 0.000 0.991 729 V HN 0.427 nan 8.190 nan 0.000 0.437 730 D N 4.035 124.552 120.400 0.196 0.000 2.339 730 D HA 0.574 5.215 4.640 0.000 0.000 0.245 730 D C -0.497 175.970 176.300 0.278 0.000 1.115 730 D CA 0.343 54.419 54.000 0.125 0.000 0.917 730 D CB 0.740 41.575 40.800 0.058 0.000 1.192 730 D HN 0.399 nan 8.370 nan 0.000 0.428 731 F N -0.990 119.047 119.950 0.145 0.000 2.817 731 F HA 0.432 4.959 4.527 0.000 0.000 0.317 731 F C -1.620 174.247 175.800 0.111 0.000 1.168 731 F CA -1.090 57.022 58.000 0.187 0.000 0.911 731 F CB 0.834 39.993 39.000 0.265 0.000 1.337 731 F HN 0.200 nan 8.300 nan 0.000 0.464 732 Q N 1.287 121.250 119.800 0.272 0.000 2.312 732 Q HA 0.825 5.165 4.340 0.000 0.000 0.263 732 Q C -0.963 175.139 176.000 0.171 0.000 0.995 732 Q CA -1.146 54.720 55.803 0.104 0.000 0.853 732 Q CB 2.353 31.176 28.738 0.141 0.000 1.300 732 Q HN 0.966 nan 8.270 nan 0.000 0.448 733 A N 2.158 125.031 122.820 0.088 0.000 2.437 733 A HA 0.936 5.256 4.320 0.000 0.000 0.292 733 A C -1.299 176.249 177.584 -0.060 0.000 1.173 733 A CA -0.622 51.473 52.037 0.096 0.000 0.785 733 A CB 1.875 21.035 19.000 0.266 0.000 1.351 733 A HN 0.651 nan 8.150 nan 0.000 0.431 734 M N 0.600 120.140 119.600 -0.101 0.000 2.331 734 M HA 0.482 4.962 4.480 0.000 0.000 0.249 734 M C -2.196 173.961 176.300 -0.238 0.000 1.010 734 M CA -0.435 54.649 55.300 -0.360 0.000 0.939 734 M CB 0.891 33.196 32.600 -0.492 0.000 2.126 734 M HN 0.963 nan 8.290 nan 0.000 0.472 735 W N 4.389 125.529 121.300 -0.268 0.000 2.516 735 W HA 0.787 5.447 4.660 0.000 0.000 0.343 735 W C -1.970 174.278 176.519 -0.451 0.000 1.094 735 W CA -0.917 56.342 57.345 -0.142 0.000 1.250 735 W CB 0.413 29.862 29.460 -0.019 0.000 1.308 735 W HN 0.630 nan 8.180 nan 0.000 0.588 736 Y N 2.580 122.997 120.300 0.195 0.000 2.575 736 Y HA 0.273 4.824 4.550 0.000 0.000 0.326 736 Y C 0.566 176.558 175.900 0.154 0.000 0.979 736 Y CA -0.967 57.167 58.100 0.056 0.000 1.286 736 Y CB 1.245 39.703 38.460 -0.003 0.000 1.093 736 Y HN 0.428 nan 8.280 nan 0.000 0.501 737 T N 4.574 119.279 114.554 0.251 0.000 2.800 737 T HA -0.085 4.265 4.350 0.000 0.000 0.283 737 T C 0.252 175.021 174.700 0.115 0.000 0.999 737 T CA 0.841 63.033 62.100 0.153 0.000 1.176 737 T CB -0.220 68.677 68.868 0.049 0.000 0.973 737 T HN 0.702 nan 8.240 nan 0.000 0.519 738 D N 0.902 121.363 120.400 0.102 0.000 3.077 738 D HA -0.125 4.515 4.640 0.000 0.000 0.217 738 D C 0.324 176.742 176.300 0.197 0.000 1.162 738 D CA 1.114 55.152 54.000 0.062 0.000 0.943 738 D CB -0.347 40.333 40.800 -0.201 0.000 1.122 738 D HN 0.542 nan 8.370 nan 0.000 0.413 739 E N 0.718 121.039 120.200 0.201 0.000 2.343 739 E HA 0.182 4.532 4.350 0.000 0.000 0.269 739 E C 0.801 177.530 176.600 0.214 0.000 1.047 739 E CA -0.298 56.227 56.400 0.209 0.000 0.874 739 E CB 0.960 30.784 29.700 0.207 0.000 1.033 739 E HN 0.112 nan 8.360 nan 0.000 0.409 740 D N 0.108 120.640 120.400 0.219 0.000 2.228 740 D HA -0.092 4.548 4.640 0.000 0.000 0.259 740 D C 1.000 177.467 176.300 0.278 0.000 1.249 740 D CA 0.203 54.351 54.000 0.247 0.000 0.997 740 D CB 0.375 41.319 40.800 0.239 0.000 1.151 740 D HN 0.495 nan 8.370 nan 0.000 0.536 741 H N -1.436 117.770 119.070 0.227 0.000 2.548 741 H HA 0.184 4.740 4.556 0.000 0.000 0.268 741 H C 1.354 176.884 175.328 0.336 0.000 0.975 741 H CA 1.413 57.616 56.048 0.259 0.000 1.195 741 H CB 0.022 29.931 29.762 0.244 0.000 1.397 741 H HN 0.284 nan 8.280 nan 0.000 0.572 742 G N -0.198 108.686 108.800 0.139 0.000 3.159 742 G HA2 0.121 4.081 3.960 0.000 0.000 0.232 742 G HA3 0.121 4.081 3.960 0.000 0.000 0.232 742 G C 0.435 175.458 174.900 0.205 0.000 1.116 742 G CA 0.072 45.196 45.100 0.041 0.000 0.767 742 G HN 0.462 nan 8.290 nan 0.000 0.547 743 I N 0.180 120.881 120.570 0.218 0.000 5.115 743 I HA -0.334 3.836 4.170 0.000 0.000 0.126 743 I C 1.499 177.689 176.117 0.122 0.000 1.316 743 I CA 0.260 61.637 61.300 0.128 0.000 2.641 743 I CB -1.053 36.969 38.000 0.037 0.000 2.272 743 I HN 0.251 nan 8.210 nan 0.000 0.321 744 A N 1.279 124.154 122.820 0.090 0.000 2.465 744 A HA 0.353 4.673 4.320 0.000 0.000 0.255 744 A C 1.138 178.743 177.584 0.035 0.000 1.274 744 A CA 0.454 52.515 52.037 0.040 0.000 0.920 744 A CB 0.110 19.087 19.000 -0.039 0.000 1.033 744 A HN 0.616 nan 8.150 nan 0.000 0.516 745 S N -0.698 115.043 115.700 0.068 0.000 2.576 745 S HA 0.199 4.669 4.470 0.000 0.000 0.272 745 S C 1.257 175.902 174.600 0.075 0.000 1.352 745 S CA 0.343 58.583 58.200 0.066 0.000 1.021 745 S CB 1.044 64.294 63.200 0.084 0.000 0.887 745 S HN 0.418 nan 8.310 nan 0.000 0.542 746 S N 1.561 117.296 115.700 0.059 0.000 2.363 746 S HA -0.183 4.287 4.470 0.000 0.000 0.218 746 S C 2.225 176.884 174.600 0.099 0.000 1.035 746 S CA 2.377 60.620 58.200 0.072 0.000 1.043 746 S CB -1.755 61.469 63.200 0.041 0.000 0.986 746 S HN 1.057 nan 8.310 nan 0.000 0.423 747 T N 0.659 115.261 114.554 0.079 0.000 2.737 747 T HA -0.095 4.255 4.350 0.000 0.000 0.269 747 T C 1.893 176.656 174.700 0.105 0.000 1.040 747 T CA 1.740 63.892 62.100 0.088 0.000 1.142 747 T CB -1.058 67.857 68.868 0.079 0.000 0.861 747 T HN 0.516 nan 8.240 nan 0.000 0.456 748 A N 1.578 124.443 122.820 0.075 0.000 1.873 748 A HA -0.070 4.250 4.320 0.000 0.000 0.215 748 A C 2.213 179.768 177.584 -0.049 0.000 1.186 748 A CA 1.980 54.008 52.037 -0.015 0.000 0.616 748 A CB -1.294 17.671 19.000 -0.058 0.000 0.823 748 A HN 0.725 nan 8.150 nan 0.000 0.442 749 H N 0.154 119.204 119.070 -0.034 0.000 2.319 749 H HA -0.189 4.367 4.556 0.000 0.000 0.297 749 H C 2.120 177.513 175.328 0.108 0.000 1.097 749 H CA 2.479 58.554 56.048 0.045 0.000 1.285 749 H CB -0.234 29.560 29.762 0.053 0.000 1.368 749 H HN 0.608 nan 8.280 nan 0.000 0.495 750 Q N -0.963 118.812 119.800 -0.042 0.000 2.020 750 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 750 Q C 2.300 178.271 176.000 -0.049 0.000 0.982 750 Q CA 1.342 57.089 55.803 -0.093 0.000 0.838 750 Q CB -0.385 28.345 28.738 -0.014 0.000 0.899 750 Q HN 0.636 nan 8.270 nan 0.000 0.423 751 H N 1.071 120.110 119.070 -0.053 0.000 2.319 751 H HA -0.120 4.436 4.556 0.000 0.000 0.299 751 H C 1.999 177.312 175.328 -0.025 0.000 1.092 751 H CA 1.554 57.605 56.048 0.005 0.000 1.302 751 H CB -0.160 29.664 29.762 0.104 0.000 1.373 751 H HN 0.279 nan 8.280 nan 0.000 0.497 752 I N -0.102 120.453 120.570 -0.025 0.000 2.394 752 I HA -0.293 3.878 4.170 0.000 0.000 0.251 752 I C 1.676 177.552 176.117 -0.402 0.000 1.136 752 I CA 1.108 62.283 61.300 -0.209 0.000 1.425 752 I CB -0.220 37.435 38.000 -0.574 0.000 1.079 752 I HN 0.156 nan 8.210 nan 0.000 0.425 753 Y N 0.195 120.278 120.300 -0.362 0.000 2.365 753 Y HA -0.121 4.429 4.550 0.000 0.000 0.293 753 Y C 2.780 178.409 175.900 -0.453 0.000 1.119 753 Y CA 1.333 59.078 58.100 -0.592 0.000 1.203 753 Y CB -0.051 38.035 38.460 -0.624 0.000 1.026 753 Y HN 0.128 nan 8.280 nan 0.000 0.549 754 S N -1.059 114.518 115.700 -0.205 0.000 2.355 754 S HA -0.259 4.211 4.470 0.000 0.000 0.222 754 S C 1.675 175.995 174.600 -0.467 0.000 1.031 754 S CA 1.615 59.612 58.200 -0.337 0.000 0.993 754 S CB -0.537 62.508 63.200 -0.259 0.000 0.859 754 S HN 0.544 nan 8.310 nan 0.000 0.453 755 H N 1.186 120.073 119.070 -0.305 0.000 2.387 755 H HA 0.095 4.651 4.556 0.000 0.000 0.299 755 H C 2.007 177.282 175.328 -0.089 0.000 1.090 755 H CA 1.642 57.611 56.048 -0.132 0.000 1.332 755 H CB -0.160 29.580 29.762 -0.037 0.000 1.386 755 H HN 0.293 nan 8.280 nan 0.000 0.516 756 M N -0.940 118.592 119.600 -0.114 0.000 2.200 756 M HA -0.134 4.346 4.480 0.000 0.000 0.265 756 M C 2.401 178.782 176.300 0.135 0.000 1.066 756 M CA 1.245 56.483 55.300 -0.103 0.000 1.127 756 M CB 0.140 32.437 32.600 -0.506 0.000 1.379 756 M HN 0.206 nan 8.290 nan 0.000 0.420 757 S N -0.399 115.374 115.700 0.122 0.000 2.343 757 S HA -0.164 4.306 4.470 0.000 0.000 0.219 757 S C 1.692 176.380 174.600 0.147 0.000 1.033 757 S CA 1.177 59.554 58.200 0.295 0.000 1.014 757 S CB -0.677 62.643 63.200 0.201 0.000 0.915 757 S HN 0.473 nan 8.310 nan 0.000 0.435 758 H N 0.061 119.184 119.070 0.088 0.000 2.422 758 H HA -0.055 4.501 4.556 0.000 0.000 0.298 758 H C 1.910 177.225 175.328 -0.021 0.000 1.098 758 H CA 1.128 57.178 56.048 0.003 0.000 1.315 758 H CB -0.771 28.942 29.762 -0.082 0.000 1.382 758 H HN 0.449 nan 8.280 nan 0.000 0.523 759 F N 1.223 121.147 119.950 -0.044 0.000 2.134 759 F HA -0.133 4.394 4.527 0.000 0.000 0.299 759 F C 2.319 178.074 175.800 -0.074 0.000 1.097 759 F CA 0.931 58.885 58.000 -0.077 0.000 1.264 759 F CB -0.480 38.467 39.000 -0.088 0.000 1.001 759 F HN -0.008 nan 8.300 nan 0.000 0.479 760 L N -0.233 120.970 121.223 -0.033 0.000 2.056 760 L HA -0.226 4.114 4.340 0.000 0.000 0.207 760 L C 2.527 179.250 176.870 -0.244 0.000 1.078 760 L CA 1.418 56.091 54.840 -0.278 0.000 0.749 760 L CB -0.782 41.214 42.059 -0.105 0.000 0.901 760 L HN 0.222 nan 8.230 nan 0.000 0.433 761 Q N -0.457 119.327 119.800 -0.026 0.000 2.061 761 Q HA -0.279 4.062 4.340 0.000 0.000 0.204 761 Q C 2.265 178.253 176.000 -0.021 0.000 0.984 761 Q CA 1.760 57.592 55.803 0.048 0.000 0.846 761 Q CB -0.115 28.697 28.738 0.124 0.000 0.902 761 Q HN 0.557 nan 8.270 nan 0.000 0.421 762 Q N -0.358 119.381 119.800 -0.102 0.000 2.050 762 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 762 Q C 2.437 178.322 176.000 -0.191 0.000 0.980 762 Q CA 1.388 57.109 55.803 -0.137 0.000 0.840 762 Q CB -0.393 28.240 28.738 -0.175 0.000 0.898 762 Q HN 0.453 nan 8.270 nan 0.000 0.424 763 c N 0.050 118.419 118.600 -0.384 0.000 2.425 763 c HA -0.108 4.463 4.570 0.000 0.000 0.277 763 c C 2.021 176.060 174.090 -0.085 0.000 1.280 763 c CA 0.523 56.626 56.329 -0.376 0.000 1.744 763 c CB -0.964 41.134 42.510 -0.687 0.000 1.989 763 c HN 0.489 nan 8.230 nan 0.000 0.491 764 F N 0.789 120.690 119.950 -0.082 0.000 2.692 764 F HA 0.133 4.660 4.527 0.000 0.000 0.303 764 F C 1.585 177.365 175.800 -0.034 0.000 1.114 764 F CA 0.166 58.142 58.000 -0.040 0.000 1.361 764 F CB -0.052 38.934 39.000 -0.023 0.000 1.063 764 F HN 0.195 nan 8.300 nan 0.000 0.550 765 S N 0.367 116.141 115.700 0.124 0.000 3.476 765 S HA -0.207 4.263 4.470 0.000 0.000 0.309 765 S C 0.823 175.458 174.600 0.058 0.000 1.222 765 S CA 0.510 58.748 58.200 0.062 0.000 0.922 765 S CB -1.910 61.319 63.200 0.048 0.000 1.023 765 S HN 0.360 nan 8.310 nan 0.000 0.591 766 L N 0.165 121.439 121.223 0.084 0.000 2.564 766 L HA 0.438 4.778 4.340 0.000 0.000 0.158 766 L C 1.478 178.380 176.870 0.053 0.000 1.506 766 L CA -0.335 54.547 54.840 0.070 0.000 3.117 766 L CB -0.560 41.559 42.059 0.100 0.000 2.996 766 L HN 0.480 nan 8.230 nan 0.000 0.992 767 R N 0.000 120.541 120.500 0.069 0.000 2.786 767 R HA 0.000 4.340 4.340 0.000 0.000 0.208 767 R CA 0.000 56.138 56.100 0.063 0.000 0.921 767 R CB 0.000 30.334 30.300 0.057 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535