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 2gbg_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 0.000 176.350 176.300 0.083 0.000 0.893 38 R CA 0.000 56.149 56.100 0.082 0.000 0.921 38 R CB 0.000 30.342 30.300 0.070 0.000 0.687 39 R N 0.672 121.224 120.500 0.087 0.000 2.410 39 R HA 0.870 5.210 4.340 0.000 0.000 0.288 39 R C 0.766 177.127 176.300 0.102 0.000 1.051 39 R CA 0.527 56.687 56.100 0.101 0.000 1.021 39 R CB -0.097 30.278 30.300 0.125 0.000 1.032 39 R HN 1.262 nan 8.270 nan 0.000 0.481 40 T N -0.452 114.169 114.554 0.111 0.000 2.862 40 T HA 0.485 4.835 4.350 0.000 0.000 0.276 40 T C -0.292 174.529 174.700 0.202 0.000 0.974 40 T CA -0.337 61.834 62.100 0.118 0.000 0.966 40 T CB 0.378 69.300 68.868 0.090 0.000 1.072 40 T HN 0.709 nan 8.240 nan 0.000 0.538 41 Y N 2.079 122.421 120.300 0.071 0.000 2.595 41 Y HA 0.498 5.048 4.550 0.000 0.000 0.347 41 Y C 1.020 177.083 175.900 0.272 0.000 1.025 41 Y CA -0.779 57.405 58.100 0.140 0.000 1.295 41 Y CB -0.581 37.920 38.460 0.069 0.000 1.147 41 Y HN 0.936 nan 8.280 nan 0.000 0.515 42 T N 3.137 117.719 114.554 0.047 0.000 2.856 42 T HA 0.366 4.716 4.350 0.000 0.000 0.306 42 T C 1.591 176.253 174.700 -0.062 0.000 1.062 42 T CA 0.132 62.301 62.100 0.115 0.000 1.083 42 T CB 0.313 69.220 68.868 0.064 0.000 0.984 42 T HN 0.930 nan 8.240 nan 0.000 0.542 43 L N 0.857 121.913 121.223 -0.279 0.000 2.201 43 L HA 0.367 4.707 4.340 0.000 0.000 0.212 43 L C 3.116 179.825 176.870 -0.269 0.000 1.105 43 L CA 2.542 56.927 54.840 -0.758 0.000 0.775 43 L CB -1.989 39.422 42.059 -1.079 0.000 0.913 43 L HN 1.118 nan 8.230 nan 0.000 0.440 44 A N -0.825 121.894 122.820 -0.168 0.000 1.930 44 A HA -0.206 4.114 4.320 0.000 0.000 0.217 44 A C 2.148 179.669 177.584 -0.104 0.000 1.175 44 A CA 1.351 53.326 52.037 -0.104 0.000 0.627 44 A CB -0.669 18.298 19.000 -0.054 0.000 0.815 44 A HN 0.640 nan 8.150 nan 0.000 0.443 45 D N -1.501 118.813 120.400 -0.143 0.000 2.123 45 D HA -0.175 4.465 4.640 0.000 0.000 0.196 45 D C 1.664 177.933 176.300 -0.052 0.000 0.992 45 D CA 1.705 55.635 54.000 -0.118 0.000 0.833 45 D CB -0.322 40.325 40.800 -0.256 0.000 0.954 45 D HN 0.617 nan 8.370 nan 0.000 0.455 46 Y N 1.491 121.624 120.300 -0.278 0.000 2.153 46 Y HA -0.068 4.482 4.550 0.000 0.000 0.289 46 Y C 2.240 178.124 175.900 -0.028 0.000 1.127 46 Y CA 1.155 59.216 58.100 -0.066 0.000 1.131 46 Y CB -0.593 37.819 38.460 -0.080 0.000 0.995 46 Y HN -0.135 nan 8.280 nan 0.000 0.505 47 L N 0.136 121.190 121.223 -0.282 0.000 2.201 47 L HA -0.159 4.181 4.340 0.000 0.000 0.212 47 L C 1.683 178.446 176.870 -0.177 0.000 1.105 47 L CA 1.215 55.860 54.840 -0.324 0.000 0.775 47 L CB -0.406 41.533 42.059 -0.199 0.000 0.913 47 L HN 0.093 nan 8.230 nan 0.000 0.440 48 K N 0.012 120.340 120.400 -0.121 0.000 2.372 48 K HA 0.064 4.384 4.320 0.000 0.000 0.200 48 K C 0.153 176.714 176.600 -0.066 0.000 1.022 48 K CA -0.202 56.038 56.287 -0.079 0.000 1.125 48 K CB -0.304 32.156 32.500 -0.067 0.000 0.855 48 K HN 0.126 nan 8.250 nan 0.000 0.524 49 N N 1.375 120.040 118.700 -0.059 0.000 2.699 49 N HA -0.193 4.547 4.740 0.000 0.000 0.256 49 N C 0.265 175.777 175.510 0.002 0.000 0.993 49 N CA 0.912 53.966 53.050 0.006 0.000 0.759 49 N CB -1.018 37.459 38.487 -0.016 0.000 0.906 49 N HN 0.080 nan 8.380 nan 0.000 0.541 50 T N -0.208 114.331 114.554 -0.024 0.000 2.708 50 T HA -0.079 4.272 4.350 0.000 0.000 0.266 50 T C 0.424 174.912 174.700 -0.354 0.000 1.037 50 T CA 1.288 63.247 62.100 -0.235 0.000 1.146 50 T CB -0.177 68.465 68.868 -0.375 0.000 0.865 50 T HN 0.381 nan 8.240 nan 0.000 0.435 51 F N 2.454 122.516 119.950 0.187 0.000 2.309 51 F HA 0.379 4.906 4.527 0.000 0.000 0.366 51 F C 0.644 176.539 175.800 0.158 0.000 1.104 51 F CA -1.081 57.027 58.000 0.180 0.000 1.179 51 F CB 0.210 39.347 39.000 0.229 0.000 1.437 51 F HN -0.124 nan 8.300 nan 0.000 0.528 52 R N 2.285 122.908 120.500 0.205 0.000 2.537 52 R HA 0.397 4.737 4.340 0.000 0.000 0.280 52 R C -1.174 175.245 176.300 0.197 0.000 1.058 52 R CA -0.174 56.024 56.100 0.165 0.000 1.057 52 R CB 0.748 31.105 30.300 0.095 0.000 0.973 52 R HN 0.386 nan 8.270 nan 0.000 0.438 53 V N 5.802 125.831 119.914 0.193 0.000 2.370 53 V HA 0.254 4.374 4.120 0.000 0.000 0.283 53 V C 0.090 176.288 176.094 0.174 0.000 1.023 53 V CA -0.610 61.821 62.300 0.218 0.000 0.857 53 V CB 1.402 33.390 31.823 0.275 0.000 0.985 53 V HN 0.811 nan 8.190 nan 0.000 0.443 54 K N 2.636 123.137 120.400 0.169 0.000 2.127 54 K HA 0.775 5.095 4.320 0.000 0.000 0.240 54 K C 0.132 176.820 176.600 0.145 0.000 1.024 54 K CA -0.358 56.009 56.287 0.133 0.000 0.918 54 K CB 1.479 34.052 32.500 0.122 0.000 1.108 54 K HN 0.871 nan 8.250 nan 0.000 0.485 55 S N -0.612 115.070 115.700 -0.030 0.000 2.727 55 S HA 0.343 4.814 4.470 0.000 0.000 0.278 55 S C -1.800 172.503 174.600 -0.496 0.000 1.186 55 S CA -0.870 57.025 58.200 -0.510 0.000 0.836 55 S CB 0.691 63.684 63.200 -0.345 0.000 1.186 55 S HN 0.593 nan 8.310 nan 0.000 0.499 56 Y N 1.309 120.973 120.300 -1.060 0.000 2.609 56 Y HA 0.544 5.094 4.550 0.000 0.000 0.350 56 Y C -0.695 175.001 175.900 -0.341 0.000 1.050 56 Y CA -0.456 57.335 58.100 -0.515 0.000 1.290 56 Y CB 1.259 39.398 38.460 -0.535 0.000 1.094 56 Y HN 0.736 nan 8.280 nan 0.000 0.583 57 S N 6.220 121.774 115.700 -0.244 0.000 2.409 57 S HA 0.443 4.913 4.470 0.000 0.000 0.308 57 S C -0.466 174.002 174.600 -0.221 0.000 1.080 57 S CA -0.580 57.513 58.200 -0.179 0.000 1.081 57 S CB -0.446 62.687 63.200 -0.111 0.000 1.009 57 S HN 0.554 nan 8.310 nan 0.000 0.502 58 L N 1.419 122.445 121.223 -0.329 0.000 2.331 58 L HA 0.763 5.103 4.340 0.000 0.000 0.268 58 L C -0.045 176.638 176.870 -0.312 0.000 1.015 58 L CA -0.853 53.727 54.840 -0.434 0.000 0.807 58 L CB 0.595 42.036 42.059 -1.030 0.000 1.293 58 L HN 0.289 nan 8.230 nan 0.000 0.451 59 R N 0.424 120.789 120.500 -0.224 0.000 2.467 59 R HA 0.288 4.628 4.340 0.000 0.000 0.299 59 R C -1.739 174.555 176.300 -0.010 0.000 1.120 59 R CA -0.274 55.778 56.100 -0.079 0.000 0.940 59 R CB 0.940 31.254 30.300 0.023 0.000 1.161 59 R HN 0.674 nan 8.270 nan 0.000 0.506 60 W N 3.081 124.454 121.300 0.123 0.000 2.607 60 W HA -0.018 4.642 4.660 0.000 0.000 0.336 60 W C 1.134 177.719 176.519 0.111 0.000 1.439 60 W CA -0.362 57.071 57.345 0.148 0.000 1.346 60 W CB 0.517 30.054 29.460 0.129 0.000 1.425 60 W HN 0.396 nan 8.180 nan 0.000 0.565 61 V N 2.883 123.006 119.914 0.349 0.000 3.354 61 V HA -0.040 4.080 4.120 0.000 0.000 0.258 61 V C 0.994 177.202 176.094 0.191 0.000 1.159 61 V CA 1.368 63.780 62.300 0.187 0.000 1.125 61 V CB -0.546 31.313 31.823 0.060 0.000 0.774 61 V HN 0.601 nan 8.190 nan 0.000 0.464 62 S N -1.445 114.414 115.700 0.265 0.000 3.003 62 S HA 0.269 4.739 4.470 0.000 0.000 0.313 62 S C 0.116 174.808 174.600 0.154 0.000 1.230 62 S CA 0.119 58.426 58.200 0.179 0.000 0.977 62 S CB 1.330 64.614 63.200 0.139 0.000 1.340 62 S HN 0.039 nan 8.310 nan 0.000 0.608 63 D N 0.395 120.850 120.400 0.092 0.000 2.340 63 D HA 0.242 4.882 4.640 0.000 0.000 0.220 63 D C 1.158 177.512 176.300 0.090 0.000 1.039 63 D CA 1.072 55.087 54.000 0.026 0.000 0.866 63 D CB 0.126 40.950 40.800 0.040 0.000 0.913 63 D HN 0.540 nan 8.370 nan 0.000 0.523 64 S N -2.280 113.509 115.700 0.149 0.000 2.800 64 S HA 0.256 4.726 4.470 0.000 0.000 0.266 64 S C 0.284 174.973 174.600 0.150 0.000 1.029 64 S CA -0.681 57.597 58.200 0.130 0.000 1.302 64 S CB 0.645 63.940 63.200 0.158 0.000 1.212 64 S HN 0.035 nan 8.310 nan 0.000 0.683 65 E N 0.646 121.016 120.200 0.284 0.000 2.343 65 E HA 0.643 4.993 4.350 0.000 0.000 0.270 65 E C -1.706 175.103 176.600 0.350 0.000 0.895 65 E CA -1.040 55.476 56.400 0.194 0.000 0.767 65 E CB 2.168 31.913 29.700 0.075 0.000 1.248 65 E HN 0.458 nan 8.360 nan 0.000 0.440 66 Y N -0.551 119.809 120.300 0.100 0.000 2.588 66 Y HA 0.612 5.162 4.550 0.000 0.000 0.343 66 Y C -1.684 174.187 175.900 -0.048 0.000 1.065 66 Y CA -1.328 56.715 58.100 -0.095 0.000 1.038 66 Y CB 0.737 38.798 38.460 -0.664 0.000 1.297 66 Y HN 0.358 nan 8.280 nan 0.000 0.467 67 L N 2.991 124.337 121.223 0.206 0.000 2.343 67 L HA 0.511 4.851 4.340 0.000 0.000 0.275 67 L C -1.325 175.719 176.870 0.290 0.000 1.056 67 L CA -0.963 53.973 54.840 0.160 0.000 0.804 67 L CB 1.549 43.626 42.059 0.030 0.000 1.203 67 L HN 0.813 nan 8.230 nan 0.000 0.440 68 Y N 2.407 122.774 120.300 0.112 0.000 2.442 68 Y HA 0.255 4.805 4.550 0.000 0.000 0.330 68 Y C -0.688 175.212 175.900 -0.002 0.000 1.100 68 Y CA -1.196 56.863 58.100 -0.069 0.000 1.034 68 Y CB 1.465 39.729 38.460 -0.327 0.000 1.285 68 Y HN 0.417 nan 8.280 nan 0.000 0.440 69 K N 5.223 125.153 120.400 -0.783 0.000 2.316 69 K HA 0.250 4.570 4.320 0.000 0.000 0.289 69 K C -0.993 175.159 176.600 -0.745 0.000 1.070 69 K CA -0.209 55.726 56.287 -0.585 0.000 0.928 69 K CB 0.578 32.837 32.500 -0.402 0.000 1.039 69 K HN 0.838 nan 8.250 nan 0.000 0.480 70 Q N 4.321 123.932 119.800 -0.314 0.000 2.275 70 Q HA 0.088 4.428 4.340 0.000 0.000 0.266 70 Q C -1.202 174.744 176.000 -0.090 0.000 1.002 70 Q CA -0.287 55.450 55.803 -0.110 0.000 0.761 70 Q CB 1.129 29.973 28.738 0.177 0.000 1.255 70 Q HN 0.739 nan 8.270 nan 0.000 0.446 71 E N 3.223 123.373 120.200 -0.083 0.000 2.252 71 E HA -0.356 3.994 4.350 0.000 0.000 0.218 71 E C -0.681 175.836 176.600 -0.139 0.000 1.253 71 E CA 0.445 56.798 56.400 -0.079 0.000 0.705 71 E CB -1.213 28.463 29.700 -0.040 0.000 1.172 71 E HN 0.871 nan 8.360 nan 0.000 0.369 72 N N 0.580 119.159 118.700 -0.201 0.000 2.716 72 N HA -0.178 4.562 4.740 0.000 0.000 0.250 72 N C -1.069 174.196 175.510 -0.409 0.000 1.033 72 N CA 1.049 53.908 53.050 -0.318 0.000 0.727 72 N CB -0.652 37.689 38.487 -0.244 0.000 0.950 72 N HN 0.432 nan 8.380 nan 0.000 0.541 73 N N 0.675 119.173 118.700 -0.338 0.000 2.397 73 N HA 0.274 5.014 4.740 0.000 0.000 0.291 73 N C -0.445 174.923 175.510 -0.237 0.000 1.065 73 N CA -0.523 52.357 53.050 -0.284 0.000 0.884 73 N CB 1.311 39.708 38.487 -0.150 0.000 1.551 73 N HN -0.022 nan 8.380 nan 0.000 0.487 74 I N 3.458 123.885 120.570 -0.238 0.000 2.352 74 I HA 0.323 4.493 4.170 0.000 0.000 0.290 74 I C 0.364 176.524 176.117 0.071 0.000 1.036 74 I CA -0.192 61.040 61.300 -0.113 0.000 1.336 74 I CB 0.155 38.069 38.000 -0.143 0.000 1.407 74 I HN 0.273 nan 8.210 nan 0.000 0.497 75 L N 6.372 127.693 121.223 0.163 0.000 2.334 75 L HA 0.477 4.817 4.340 0.000 0.000 0.276 75 L C -0.380 176.633 176.870 0.238 0.000 1.014 75 L CA -1.014 53.937 54.840 0.184 0.000 0.815 75 L CB 2.129 44.307 42.059 0.198 0.000 1.268 75 L HN 0.332 nan 8.230 nan 0.000 0.428 76 L N 2.633 123.885 121.223 0.048 0.000 2.264 76 L HA 0.535 4.875 4.340 0.000 0.000 0.289 76 L C -1.034 175.747 176.870 -0.149 0.000 1.044 76 L CA 0.389 55.224 54.840 -0.009 0.000 0.807 76 L CB 0.471 42.520 42.059 -0.017 0.000 1.192 76 L HN 0.187 nan 8.230 nan 0.000 0.425 77 F N 3.560 123.243 119.950 -0.444 0.000 2.507 77 F HA 0.447 4.974 4.527 0.000 0.000 0.327 77 F C 0.480 175.954 175.800 -0.545 0.000 1.068 77 F CA -0.699 56.952 58.000 -0.583 0.000 0.965 77 F CB 1.332 39.702 39.000 -1.050 0.000 1.192 77 F HN 0.531 nan 8.300 nan 0.000 0.476 78 N N 1.674 120.275 118.700 -0.165 0.000 2.444 78 N HA 0.480 5.220 4.740 0.000 0.000 0.262 78 N C -1.037 174.394 175.510 -0.131 0.000 0.974 78 N CA -0.242 52.740 53.050 -0.113 0.000 0.933 78 N CB 1.495 39.961 38.487 -0.035 0.000 1.137 78 N HN 0.748 nan 8.380 nan 0.000 0.498 79 A N 2.975 125.675 122.820 -0.199 0.000 2.450 79 A HA 0.354 4.674 4.320 0.000 0.000 0.255 79 A C 0.733 178.030 177.584 -0.477 0.000 1.096 79 A CA 0.212 52.037 52.037 -0.354 0.000 0.778 79 A CB 0.238 18.797 19.000 -0.734 0.000 1.031 79 A HN 0.982 nan 8.150 nan 0.000 0.494 80 E N 0.108 120.159 120.200 -0.247 0.000 3.478 80 E HA -0.134 4.216 4.350 0.000 0.000 0.156 80 E C -0.599 175.816 176.600 -0.307 0.000 0.863 80 E CA 0.955 57.209 56.400 -0.242 0.000 2.762 80 E CB -1.040 28.441 29.700 -0.366 0.000 1.446 80 E HN 0.833 nan 8.360 nan 0.000 0.641 81 H N 0.630 119.711 119.070 0.018 0.000 2.517 81 H HA 0.501 5.058 4.556 0.000 0.000 0.317 81 H C 1.249 176.579 175.328 0.003 0.000 1.080 81 H CA 0.339 56.393 56.048 0.011 0.000 1.301 81 H CB 1.254 31.019 29.762 0.004 0.000 1.425 81 H HN 0.571 nan 8.280 nan 0.000 0.471 82 G N 3.047 111.913 108.800 0.111 0.000 2.689 82 G HA2 -0.327 3.633 3.960 0.000 0.000 0.216 82 G HA3 -0.327 3.633 3.960 0.000 0.000 0.216 82 G C 0.837 175.765 174.900 0.045 0.000 1.119 82 G CA 0.295 45.455 45.100 0.099 0.000 0.732 82 G HN 0.691 nan 8.290 nan 0.000 0.576 83 N N 0.348 119.069 118.700 0.034 0.000 1.916 83 N HA -0.004 4.736 4.740 0.000 0.000 0.307 83 N C 0.722 176.128 175.510 -0.173 0.000 1.322 83 N CA 0.808 53.834 53.050 -0.040 0.000 0.808 83 N CB 0.307 38.803 38.487 0.016 0.000 1.056 83 N HN 0.357 nan 8.380 nan 0.000 0.499 84 S N 2.114 117.644 115.700 -0.283 0.000 2.721 84 S HA 0.811 5.281 4.470 0.000 0.000 0.296 84 S C -0.459 173.936 174.600 -0.342 0.000 1.093 84 S CA -0.129 57.734 58.200 -0.562 0.000 0.959 84 S CB 1.631 64.321 63.200 -0.850 0.000 1.301 84 S HN 0.837 nan 8.310 nan 0.000 0.550 85 S N -0.562 114.928 115.700 -0.349 0.000 2.744 85 S HA 0.217 4.687 4.470 0.000 0.000 0.310 85 S C -1.330 173.215 174.600 -0.092 0.000 0.896 85 S CA -0.811 57.291 58.200 -0.163 0.000 0.807 85 S CB -0.449 62.695 63.200 -0.093 0.000 1.007 85 S HN 0.773 nan 8.310 nan 0.000 0.483 86 I N 5.190 125.729 120.570 -0.051 0.000 2.648 86 I HA 0.171 4.341 4.170 0.000 0.000 0.284 86 I C 0.788 176.951 176.117 0.077 0.000 1.153 86 I CA 0.238 61.535 61.300 -0.005 0.000 1.426 86 I CB 0.544 38.522 38.000 -0.037 0.000 1.381 86 I HN 0.793 nan 8.210 nan 0.000 0.571 87 F N 6.691 126.603 119.950 -0.063 0.000 2.532 87 F HA 0.409 4.936 4.527 0.000 0.000 0.278 87 F C 0.235 176.010 175.800 -0.042 0.000 0.975 87 F CA 0.314 58.292 58.000 -0.037 0.000 1.292 87 F CB 0.547 39.538 39.000 -0.015 0.000 1.112 87 F HN 0.121 nan 8.300 nan 0.000 0.703 88 L N 1.061 122.286 121.223 0.004 0.000 2.401 88 L HA 0.363 4.703 4.340 0.000 0.000 0.266 88 L C -0.718 176.063 176.870 -0.149 0.000 0.991 88 L CA -0.770 54.002 54.840 -0.114 0.000 0.818 88 L CB 2.394 44.416 42.059 -0.061 0.000 1.321 88 L HN -0.032 nan 8.230 nan 0.000 0.413 89 E N 1.171 121.278 120.200 -0.154 0.000 2.280 89 E HA 0.185 4.535 4.350 0.000 0.000 0.261 89 E C 0.079 176.564 176.600 -0.191 0.000 1.088 89 E CA -0.751 55.557 56.400 -0.153 0.000 0.915 89 E CB 0.973 30.608 29.700 -0.107 0.000 1.141 89 E HN 0.477 nan 8.360 nan 0.000 0.433 90 N N 0.666 119.268 118.700 -0.164 0.000 2.184 90 N HA -0.157 4.583 4.740 0.000 0.000 0.190 90 N C 1.251 176.699 175.510 -0.103 0.000 1.011 90 N CA 0.853 53.810 53.050 -0.155 0.000 0.867 90 N CB -0.139 38.287 38.487 -0.101 0.000 0.993 90 N HN 0.284 nan 8.380 nan 0.000 0.433 91 S N -0.743 114.906 115.700 -0.085 0.000 2.373 91 S HA -0.070 4.400 4.470 0.000 0.000 0.219 91 S C 1.344 175.924 174.600 -0.033 0.000 1.377 91 S CA 1.675 59.840 58.200 -0.058 0.000 1.021 91 S CB -0.363 62.797 63.200 -0.068 0.000 0.777 91 S HN 0.496 nan 8.310 nan 0.000 0.463 92 T N 0.986 115.492 114.554 -0.080 0.000 12.652 92 T HA -0.326 4.024 4.350 0.000 0.000 0.418 92 T C 1.150 175.845 174.700 -0.009 0.000 1.442 92 T CA 2.489 64.512 62.100 -0.128 0.000 2.373 92 T CB -1.972 66.762 68.868 -0.223 0.000 2.832 92 T HN 0.519 nan 8.240 nan 0.000 0.758 93 F N 2.938 122.775 119.950 -0.188 0.000 2.167 93 F HA -0.207 4.320 4.527 0.000 0.000 0.301 93 F C 2.588 178.318 175.800 -0.117 0.000 1.066 93 F CA 1.967 59.887 58.000 -0.134 0.000 1.285 93 F CB -0.540 38.392 39.000 -0.112 0.000 1.032 93 F HN 0.591 nan 8.300 nan 0.000 0.495 94 E N 0.835 121.076 120.200 0.068 0.000 2.208 94 E HA -0.171 4.179 4.350 0.000 0.000 0.193 94 E C 2.180 178.750 176.600 -0.050 0.000 0.988 94 E CA 1.143 57.545 56.400 0.003 0.000 0.828 94 E CB -0.848 28.849 29.700 -0.005 0.000 0.763 94 E HN 0.465 nan 8.360 nan 0.000 0.478 95 I N 1.326 121.851 120.570 -0.074 0.000 2.118 95 I HA -0.292 3.878 4.170 0.000 0.000 0.241 95 I C 2.704 178.732 176.117 -0.148 0.000 1.070 95 I CA 2.307 63.548 61.300 -0.099 0.000 1.327 95 I CB -0.886 37.050 38.000 -0.106 0.000 1.034 95 I HN 0.135 nan 8.210 nan 0.000 0.405 96 F N 2.240 122.058 119.950 -0.221 0.000 2.726 96 F HA 0.499 5.026 4.527 0.000 0.000 0.296 96 F C 1.601 177.285 175.800 -0.194 0.000 1.250 96 F CA 0.068 57.868 58.000 -0.334 0.000 1.434 96 F CB -1.836 36.837 39.000 -0.544 0.000 1.043 96 F HN 0.340 nan 8.300 nan 0.000 0.508 97 G N 1.032 109.763 108.800 -0.115 0.000 2.651 97 G HA2 -0.432 3.529 3.960 0.000 0.000 0.315 97 G HA3 -0.432 3.529 3.960 0.000 0.000 0.315 97 G C 0.757 175.638 174.900 -0.031 0.000 1.258 97 G CA 0.689 45.754 45.100 -0.059 0.000 1.002 97 G HN 1.052 nan 8.290 nan 0.000 0.551 98 D N 0.112 120.503 120.400 -0.015 0.000 2.395 98 D HA 0.159 4.799 4.640 0.000 0.000 0.213 98 D C 1.829 178.135 176.300 0.010 0.000 1.110 98 D CA 1.121 55.124 54.000 0.005 0.000 0.835 98 D CB -0.082 40.721 40.800 0.006 0.000 0.965 98 D HN 0.786 nan 8.370 nan 0.000 0.505 99 S N -0.005 115.698 115.700 0.006 0.000 2.634 99 S HA 0.134 4.604 4.470 0.000 0.000 0.221 99 S C 0.879 175.511 174.600 0.053 0.000 0.952 99 S CA -0.560 57.664 58.200 0.039 0.000 0.930 99 S CB -0.295 62.954 63.200 0.082 0.000 0.780 99 S HN 0.066 nan 8.310 nan 0.000 0.498 100 I N 3.768 124.338 120.570 -0.001 0.000 2.573 100 I HA 0.075 4.245 4.170 0.000 0.000 0.295 100 I C 1.677 177.795 176.117 0.002 0.000 1.141 100 I CA 0.140 61.411 61.300 -0.048 0.000 1.364 100 I CB -0.221 37.651 38.000 -0.215 0.000 1.447 100 I HN 0.422 nan 8.210 nan 0.000 0.571 101 S N 4.308 120.017 115.700 0.014 0.000 2.383 101 S HA -0.077 4.393 4.470 0.000 0.000 0.227 101 S C 0.688 175.302 174.600 0.024 0.000 1.026 101 S CA 1.155 59.350 58.200 -0.008 0.000 0.981 101 S CB 0.255 63.459 63.200 0.007 0.000 0.818 101 S HN 0.783 nan 8.310 nan 0.000 0.472 102 D N -2.112 118.324 120.400 0.059 0.000 2.725 102 D HA 0.330 4.970 4.640 0.000 0.000 0.292 102 D C -1.874 174.537 176.300 0.185 0.000 1.288 102 D CA -0.497 53.582 54.000 0.132 0.000 0.784 102 D CB 1.072 41.931 40.800 0.098 0.000 1.308 102 D HN 0.272 nan 8.370 nan 0.000 0.429 103 Y N -1.079 119.305 120.300 0.139 0.000 2.534 103 Y HA 0.736 5.286 4.550 0.000 0.000 0.345 103 Y C -1.437 174.609 175.900 0.244 0.000 1.031 103 Y CA -0.840 57.364 58.100 0.173 0.000 1.022 103 Y CB 1.904 40.504 38.460 0.233 0.000 1.292 103 Y HN 0.142 nan 8.280 nan 0.000 0.459 104 S N 2.957 118.863 115.700 0.342 0.000 2.733 104 S HA 0.630 5.100 4.470 0.000 0.000 0.294 104 S C -1.653 173.300 174.600 0.589 0.000 1.149 104 S CA -0.594 57.809 58.200 0.338 0.000 1.034 104 S CB 0.834 64.231 63.200 0.327 0.000 1.015 104 S HN 0.683 nan 8.310 nan 0.000 0.486 105 V N 5.295 125.460 119.914 0.417 0.000 2.461 105 V HA 0.381 4.502 4.120 0.000 0.000 0.275 105 V C 0.779 176.772 176.094 -0.169 0.000 1.047 105 V CA -0.633 61.832 62.300 0.275 0.000 0.955 105 V CB 1.156 33.164 31.823 0.308 0.000 0.988 105 V HN 1.010 nan 8.190 nan 0.000 0.471 106 S N 7.103 122.363 115.700 -0.732 0.000 2.563 106 S HA 0.100 4.570 4.470 0.000 0.000 0.284 106 S C -1.040 173.272 174.600 -0.480 0.000 1.331 106 S CA -0.538 56.816 58.200 -1.411 0.000 1.047 106 S CB 0.560 62.876 63.200 -1.474 0.000 0.859 106 S HN 0.672 nan 8.310 nan 0.000 0.514 107 P HA -0.155 nan 4.420 nan 0.000 0.217 107 P C 0.645 177.914 177.300 -0.053 0.000 1.148 107 P CA 1.451 64.490 63.100 -0.102 0.000 0.828 107 P CB -0.238 31.432 31.700 -0.051 0.000 0.783 108 D N -0.521 119.843 120.400 -0.059 0.000 2.325 108 D HA -0.033 4.607 4.640 0.000 0.000 0.234 108 D C 0.384 176.690 176.300 0.010 0.000 1.122 108 D CA -0.339 53.667 54.000 0.009 0.000 0.850 108 D CB -0.610 40.233 40.800 0.073 0.000 0.921 108 D HN 0.111 nan 8.370 nan 0.000 0.513 109 R N -0.179 120.323 120.500 0.003 0.000 3.722 109 R HA -0.197 4.143 4.340 0.000 0.000 0.284 109 R C 0.957 177.275 176.300 0.031 0.000 1.165 109 R CA 0.526 56.690 56.100 0.106 0.000 0.779 109 R CB -2.200 28.223 30.300 0.205 0.000 1.179 109 R HN 0.355 nan 8.270 nan 0.000 0.491 110 L N -1.042 120.109 121.223 -0.119 0.000 2.307 110 L HA 0.181 4.521 4.340 0.000 0.000 0.211 110 L C 0.547 176.959 176.870 -0.762 0.000 1.099 110 L CA 0.861 55.433 54.840 -0.447 0.000 0.816 110 L CB 0.090 41.809 42.059 -0.566 0.000 0.952 110 L HN -0.002 nan 8.230 nan 0.000 0.455 111 F N -1.752 118.118 119.950 -0.133 0.000 2.620 111 F HA 0.583 5.110 4.527 0.000 0.000 0.320 111 F C -0.338 175.543 175.800 0.136 0.000 1.069 111 F CA -1.107 56.888 58.000 -0.008 0.000 0.953 111 F CB 1.600 40.642 39.000 0.070 0.000 1.322 111 F HN -0.547 nan 8.300 nan 0.000 0.479 112 V N 2.472 122.711 119.914 0.542 0.000 2.638 112 V HA 0.383 4.503 4.120 0.000 0.000 0.306 112 V C -0.634 175.809 176.094 0.582 0.000 1.052 112 V CA -0.779 61.860 62.300 0.565 0.000 0.885 112 V CB 2.130 34.242 31.823 0.481 0.000 0.999 112 V HN 0.583 nan 8.190 nan 0.000 0.424 113 L N 5.385 126.975 121.223 0.611 0.000 2.290 113 L HA 0.512 4.852 4.340 0.000 0.000 0.284 113 L C -0.807 176.268 176.870 0.341 0.000 1.078 113 L CA -0.311 54.773 54.840 0.407 0.000 0.815 113 L CB 0.984 43.202 42.059 0.265 0.000 1.162 113 L HN 0.502 nan 8.230 nan 0.000 0.435 114 L N 4.894 126.274 121.223 0.262 0.000 2.294 114 L HA 0.409 4.749 4.340 0.000 0.000 0.283 114 L C -0.027 176.921 176.870 0.130 0.000 1.015 114 L CA -0.372 54.543 54.840 0.125 0.000 0.831 114 L CB 1.571 43.625 42.059 -0.009 0.000 1.217 114 L HN 0.575 nan 8.230 nan 0.000 0.420 115 E N 4.327 124.541 120.200 0.023 0.000 2.283 115 E HA 0.453 4.803 4.350 0.000 0.000 0.278 115 E C -1.580 174.975 176.600 -0.074 0.000 1.027 115 E CA -0.412 55.821 56.400 -0.277 0.000 0.843 115 E CB 1.009 30.645 29.700 -0.107 0.000 1.062 115 E HN 0.457 nan 8.360 nan 0.000 0.401 116 Y N 1.045 121.142 120.300 -0.339 0.000 2.624 116 Y HA 0.380 4.931 4.550 0.000 0.000 0.334 116 Y C -0.661 175.154 175.900 -0.143 0.000 1.155 116 Y CA -1.388 56.603 58.100 -0.182 0.000 1.046 116 Y CB 0.752 39.115 38.460 -0.161 0.000 1.316 116 Y HN 0.626 nan 8.280 nan 0.000 0.457 117 N N -0.343 118.359 118.700 0.003 0.000 2.815 117 N HA -0.277 4.463 4.740 0.000 0.000 0.248 117 N C -1.269 174.229 175.510 -0.021 0.000 1.110 117 N CA 0.825 53.852 53.050 -0.038 0.000 0.699 117 N CB -1.794 36.596 38.487 -0.163 0.000 1.040 117 N HN 0.869 nan 8.380 nan 0.000 0.555 118 Y N 0.251 120.488 120.300 -0.106 0.000 2.650 118 Y HA 0.304 4.854 4.550 0.000 0.000 0.331 118 Y C -0.033 175.843 175.900 -0.041 0.000 1.165 118 Y CA -0.110 57.936 58.100 -0.090 0.000 1.473 118 Y CB 0.566 38.912 38.460 -0.190 0.000 1.224 118 Y HN -0.019 nan 8.280 nan 0.000 0.533 119 V N 8.435 128.256 119.914 -0.156 0.000 2.357 119 V HA 0.169 4.289 4.120 0.000 0.000 0.281 119 V C -0.048 175.929 176.094 -0.195 0.000 1.015 119 V CA -1.226 61.038 62.300 -0.060 0.000 0.827 119 V CB 1.062 32.850 31.823 -0.058 0.000 1.018 119 V HN 0.776 nan 8.190 nan 0.000 0.432 120 K N 3.916 124.306 120.400 -0.016 0.000 2.344 120 K HA 0.270 4.590 4.320 0.000 0.000 0.260 120 K C -0.267 176.275 176.600 -0.096 0.000 0.988 120 K CA 0.049 56.353 56.287 0.028 0.000 0.909 120 K CB 0.559 33.225 32.500 0.276 0.000 0.968 120 K HN 0.736 nan 8.250 nan 0.000 0.505 121 Q N 3.049 122.761 119.800 -0.148 0.000 2.638 121 Q HA 0.080 4.420 4.340 0.000 0.000 0.227 121 Q C -1.792 174.025 176.000 -0.305 0.000 0.842 121 Q CA -0.408 55.107 55.803 -0.481 0.000 1.095 121 Q CB 0.360 28.599 28.738 -0.831 0.000 1.595 121 Q HN 0.880 nan 8.270 nan 0.000 0.511 122 W N 1.501 122.857 121.300 0.093 0.000 3.078 122 W HA -0.333 4.327 4.660 0.000 0.000 0.320 122 W C 1.115 177.623 176.519 -0.020 0.000 0.133 122 W CA -0.160 57.233 57.345 0.081 0.000 0.459 122 W CB -0.681 28.763 29.460 -0.028 0.000 2.859 122 W HN 0.756 nan 8.180 nan 0.000 0.416 123 R N -0.330 120.252 120.500 0.138 0.000 2.091 123 R HA -0.185 4.155 4.340 0.000 0.000 0.238 123 R C 1.602 177.672 176.300 -0.384 0.000 1.136 123 R CA 2.521 58.490 56.100 -0.217 0.000 0.959 123 R CB -0.313 29.690 30.300 -0.494 0.000 0.856 123 R HN 0.530 nan 8.270 nan 0.000 0.437 124 H N -2.340 116.804 119.070 0.123 0.000 3.205 124 H HA 0.293 4.849 4.556 0.000 0.000 0.252 124 H C 0.151 175.558 175.328 0.133 0.000 1.015 124 H CA -0.217 55.923 56.048 0.154 0.000 1.192 124 H CB 0.755 30.583 29.762 0.110 0.000 1.474 124 H HN -0.024 nan 8.280 nan 0.000 0.484 125 S N 1.307 116.967 115.700 -0.067 0.000 2.593 125 S HA 0.332 4.802 4.470 0.000 0.000 0.269 125 S C -0.717 173.756 174.600 -0.213 0.000 1.334 125 S CA -0.230 57.617 58.200 -0.588 0.000 1.015 125 S CB 0.390 62.834 63.200 -1.260 0.000 0.912 125 S HN 0.497 nan 8.310 nan 0.000 0.541 126 Y N -2.459 117.654 120.300 -0.312 0.000 2.823 126 Y HA 0.495 5.045 4.550 0.000 0.000 0.377 126 Y C -1.014 174.790 175.900 -0.160 0.000 1.158 126 Y CA -1.218 56.667 58.100 -0.358 0.000 1.269 126 Y CB 0.219 38.252 38.460 -0.712 0.000 1.444 126 Y HN 0.709 nan 8.280 nan 0.000 0.497 127 T N 0.359 114.900 114.554 -0.022 0.000 2.863 127 T HA 1.017 5.367 4.350 0.000 0.000 0.285 127 T C -0.512 174.219 174.700 0.053 0.000 1.009 127 T CA 0.043 62.157 62.100 0.023 0.000 0.989 127 T CB 1.741 70.606 68.868 -0.005 0.000 1.004 127 T HN 1.812 nan 8.240 nan 0.000 0.455 128 A N 1.748 124.608 122.820 0.068 0.000 2.525 128 A HA 0.921 5.241 4.320 0.000 0.000 0.291 128 A C -0.474 176.922 177.584 -0.313 0.000 1.268 128 A CA -0.978 50.969 52.037 -0.150 0.000 0.712 128 A CB 1.286 20.143 19.000 -0.237 0.000 1.320 128 A HN 0.873 nan 8.150 nan 0.000 0.456 129 S N -1.075 114.167 115.700 -0.764 0.000 2.532 129 S HA 0.790 5.260 4.470 0.000 0.000 0.301 129 S C -1.621 172.261 174.600 -1.197 0.000 1.083 129 S CA -0.105 57.567 58.200 -0.880 0.000 1.025 129 S CB 0.866 63.322 63.200 -1.241 0.000 1.056 129 S HN 0.445 nan 8.310 nan 0.000 0.494 130 Y N 0.131 120.179 120.300 -0.420 0.000 2.576 130 Y HA 0.655 5.205 4.550 0.000 0.000 0.346 130 Y C 0.137 176.076 175.900 0.066 0.000 1.018 130 Y CA -0.718 57.296 58.100 -0.144 0.000 1.050 130 Y CB 2.210 40.535 38.460 -0.226 0.000 1.280 130 Y HN 0.563 nan 8.280 nan 0.000 0.474 131 S N 2.228 118.101 115.700 0.288 0.000 2.546 131 S HA 0.593 5.063 4.470 0.000 0.000 0.272 131 S C -1.615 173.090 174.600 0.176 0.000 1.140 131 S CA -0.655 57.658 58.200 0.189 0.000 0.920 131 S CB 1.252 64.549 63.200 0.161 0.000 1.083 131 S HN 0.335 nan 8.310 nan 0.000 0.476 132 I N 3.224 123.874 120.570 0.133 0.000 2.339 132 I HA 0.306 4.476 4.170 0.000 0.000 0.290 132 I C -0.682 175.587 176.117 0.253 0.000 0.994 132 I CA -0.572 60.846 61.300 0.196 0.000 1.191 132 I CB 0.621 38.668 38.000 0.078 0.000 1.343 132 I HN 0.725 nan 8.210 nan 0.000 0.458 133 Y N 5.591 126.011 120.300 0.200 0.000 2.328 133 Y HA 0.301 4.851 4.550 0.000 0.000 0.337 133 Y C 0.141 176.146 175.900 0.174 0.000 1.008 133 Y CA -0.521 57.663 58.100 0.141 0.000 1.129 133 Y CB 0.921 39.435 38.460 0.089 0.000 1.185 133 Y HN 0.502 nan 8.280 nan 0.000 0.476 134 D N 6.810 126.915 120.400 -0.492 0.000 2.365 134 D HA 0.102 4.742 4.640 0.000 0.000 0.237 134 D C 0.915 176.754 176.300 -0.768 0.000 1.190 134 D CA 0.245 53.972 54.000 -0.456 0.000 0.867 134 D CB 0.717 41.383 40.800 -0.222 0.000 1.050 134 D HN 0.865 nan 8.370 nan 0.000 0.491 135 L N 3.526 124.426 121.223 -0.538 0.000 1.989 135 L HA -0.235 4.105 4.340 0.000 0.000 0.211 135 L C 2.143 178.810 176.870 -0.338 0.000 1.071 135 L CA 1.040 55.666 54.840 -0.356 0.000 0.749 135 L CB -0.561 41.315 42.059 -0.305 0.000 0.890 135 L HN 0.406 nan 8.230 nan 0.000 0.431 136 N N 0.741 119.222 118.700 -0.366 0.000 2.000 136 N HA -0.272 4.469 4.740 0.000 0.000 0.198 136 N C 1.741 177.124 175.510 -0.211 0.000 1.057 136 N CA 1.732 54.624 53.050 -0.264 0.000 0.858 136 N CB -0.095 38.226 38.487 -0.276 0.000 1.057 136 N HN 0.003 nan 8.380 nan 0.000 0.423 137 K N 0.813 121.083 120.400 -0.217 0.000 2.515 137 K HA 0.067 4.387 4.320 0.000 0.000 0.196 137 K C -0.305 176.192 176.600 -0.172 0.000 1.038 137 K CA 0.420 56.616 56.287 -0.152 0.000 0.967 137 K CB 0.020 32.462 32.500 -0.096 0.000 0.780 137 K HN 0.211 nan 8.250 nan 0.000 0.483 138 R N 0.366 120.705 120.500 -0.269 0.000 3.422 138 R HA -0.219 4.121 4.340 0.000 0.000 0.267 138 R C -1.065 175.127 176.300 -0.180 0.000 1.074 138 R CA 1.133 57.102 56.100 -0.218 0.000 0.718 138 R CB -1.974 28.297 30.300 -0.049 0.000 1.157 138 R HN 0.567 nan 8.270 nan 0.000 0.440 139 Q N -1.497 118.025 119.800 -0.463 0.000 2.776 139 Q HA 0.450 4.790 4.340 0.000 0.000 0.289 139 Q C -0.944 174.962 176.000 -0.156 0.000 0.912 139 Q CA -1.064 54.668 55.803 -0.118 0.000 0.789 139 Q CB 0.680 29.418 28.738 -0.001 0.000 1.498 139 Q HN 0.102 nan 8.270 nan 0.000 0.408 140 L N 1.835 123.137 121.223 0.131 0.000 2.477 140 L HA 0.287 4.628 4.340 0.000 0.000 0.272 140 L C -0.079 176.831 176.870 0.068 0.000 1.157 140 L CA -0.294 54.631 54.840 0.142 0.000 0.889 140 L CB 0.049 42.199 42.059 0.151 0.000 1.158 140 L HN 0.597 nan 8.230 nan 0.000 0.473 141 I N 3.012 123.612 120.570 0.050 0.000 2.618 141 I HA -0.085 4.085 4.170 0.000 0.000 0.284 141 I C 1.214 177.351 176.117 0.033 0.000 1.146 141 I CA 0.627 61.944 61.300 0.030 0.000 1.425 141 I CB 0.939 38.871 38.000 -0.112 0.000 1.383 141 I HN 0.653 nan 8.210 nan 0.000 0.562 142 T N 3.441 118.024 114.554 0.049 0.000 3.058 142 T HA 0.131 4.481 4.350 0.000 0.000 0.278 142 T C 1.004 175.713 174.700 0.015 0.000 0.974 142 T CA 0.024 62.139 62.100 0.025 0.000 0.893 142 T CB 0.121 69.005 68.868 0.026 0.000 1.138 142 T HN 0.588 nan 8.240 nan 0.000 0.529 143 E N 1.526 121.748 120.200 0.037 0.000 2.029 143 E HA 0.086 4.436 4.350 0.000 0.000 0.217 143 E C 0.603 177.195 176.600 -0.014 0.000 0.903 143 E CA 0.633 57.048 56.400 0.025 0.000 1.062 143 E CB 0.016 29.758 29.700 0.069 0.000 0.908 143 E HN 0.220 nan 8.360 nan 0.000 0.569 144 E N 2.347 122.537 120.200 -0.017 0.000 1.842 144 E HA 0.038 4.388 4.350 0.000 0.000 0.278 144 E C -0.593 175.950 176.600 -0.095 0.000 1.171 144 E CA 0.162 56.529 56.400 -0.056 0.000 1.127 144 E CB -0.427 29.248 29.700 -0.042 0.000 1.100 144 E HN 0.176 nan 8.360 nan 0.000 0.456 145 K N 0.910 121.246 120.400 -0.108 0.000 2.234 145 K HA 0.183 4.503 4.320 0.000 0.000 0.251 145 K C 0.788 177.245 176.600 -0.238 0.000 1.011 145 K CA -0.111 56.092 56.287 -0.141 0.000 0.889 145 K CB 0.748 33.179 32.500 -0.115 0.000 1.011 145 K HN 0.368 nan 8.250 nan 0.000 0.505 146 I N 2.699 123.092 120.570 -0.296 0.000 2.336 146 I HA 0.234 4.404 4.170 0.000 0.000 0.292 146 I C -2.082 173.724 176.117 -0.518 0.000 0.991 146 I CA -2.609 58.375 61.300 -0.526 0.000 1.227 146 I CB 1.256 38.883 38.000 -0.621 0.000 1.366 146 I HN 0.444 nan 8.210 nan 0.000 0.466 147 P HA -0.151 nan 4.420 nan 0.000 0.263 147 P C -0.355 176.690 177.300 -0.425 0.000 1.145 147 P CA 0.656 63.284 63.100 -0.788 0.000 0.755 147 P CB 0.269 30.986 31.700 -1.638 0.000 0.746 148 N N 2.063 120.614 118.700 -0.249 0.000 2.575 148 N HA -0.056 4.684 4.740 0.000 0.000 0.192 148 N C 0.581 176.086 175.510 -0.009 0.000 1.200 148 N CA -0.034 52.947 53.050 -0.115 0.000 0.897 148 N CB -0.089 38.355 38.487 -0.072 0.000 0.990 148 N HN 0.349 nan 8.380 nan 0.000 0.449 149 N N 0.042 118.829 118.700 0.144 0.000 2.466 149 N HA 0.037 4.777 4.740 0.000 0.000 0.272 149 N C -1.073 174.631 175.510 0.324 0.000 1.455 149 N CA 0.052 53.239 53.050 0.229 0.000 0.875 149 N CB 0.839 39.486 38.487 0.267 0.000 1.372 149 N HN -0.037 nan 8.380 nan 0.000 0.492 150 T N 1.096 115.816 114.554 0.277 0.000 2.905 150 T HA -0.022 4.328 4.350 0.000 0.000 0.299 150 T C 1.580 176.393 174.700 0.189 0.000 1.024 150 T CA 0.649 62.906 62.100 0.261 0.000 1.151 150 T CB 1.028 69.908 68.868 0.020 0.000 0.987 150 T HN 0.240 nan 8.240 nan 0.000 0.535 151 Q N 1.631 121.532 119.800 0.168 0.000 2.354 151 Q HA 0.161 4.501 4.340 0.000 0.000 0.203 151 Q C 0.252 176.321 176.000 0.116 0.000 0.933 151 Q CA 0.278 56.160 55.803 0.133 0.000 0.901 151 Q CB 0.827 29.612 28.738 0.080 0.000 1.007 151 Q HN 0.755 nan 8.270 nan 0.000 0.495 152 W N -0.144 121.059 121.300 -0.161 0.000 3.499 152 W HA 0.516 5.176 4.660 0.000 0.000 0.288 152 W C -2.426 173.983 176.519 -0.182 0.000 1.258 152 W CA -0.709 56.499 57.345 -0.228 0.000 1.203 152 W CB 0.961 30.211 29.460 -0.350 0.000 1.325 152 W HN -0.075 nan 8.180 nan 0.000 0.564 153 I N 3.811 123.586 120.570 -1.324 0.000 3.004 153 I HA 0.685 4.855 4.170 0.000 0.000 0.305 153 I C -1.533 173.905 176.117 -1.133 0.000 1.312 153 I CA -0.117 60.593 61.300 -0.982 0.000 0.992 153 I CB 2.572 39.980 38.000 -0.987 0.000 1.282 153 I HN 0.400 nan 8.210 nan 0.000 0.449 154 T N 3.466 117.667 114.554 -0.588 0.000 2.893 154 T HA 0.399 4.750 4.350 0.000 0.000 0.337 154 T C -1.824 172.782 174.700 -0.158 0.000 1.587 154 T CA -0.362 61.543 62.100 -0.325 0.000 1.066 154 T CB 0.580 69.468 68.868 0.034 0.000 1.414 154 T HN 0.557 nan 8.240 nan 0.000 0.488 155 W N 2.387 123.670 121.300 -0.028 0.000 2.141 155 W HA 0.548 5.208 4.660 0.000 0.000 0.354 155 W C 1.345 177.678 176.519 -0.309 0.000 1.297 155 W CA -0.430 56.839 57.345 -0.127 0.000 1.380 155 W CB 0.628 30.041 29.460 -0.078 0.000 1.168 155 W HN 0.842 nan 8.180 nan 0.000 0.639 156 S N -0.101 115.353 115.700 -0.411 0.000 2.640 156 S HA 0.092 4.562 4.470 0.000 0.000 0.262 156 S C 0.551 175.003 174.600 -0.247 0.000 1.232 156 S CA -0.473 57.138 58.200 -0.981 0.000 0.988 156 S CB 0.575 63.082 63.200 -1.156 0.000 1.034 156 S HN 0.646 nan 8.310 nan 0.000 0.569 157 Q N -0.143 119.573 119.800 -0.140 0.000 2.398 157 Q HA 0.037 4.377 4.340 0.000 0.000 0.204 157 Q C 0.849 176.826 176.000 -0.038 0.000 0.932 157 Q CA 0.686 56.491 55.803 0.003 0.000 0.916 157 Q CB 0.014 28.792 28.738 0.066 0.000 1.024 157 Q HN 0.667 nan 8.270 nan 0.000 0.504 158 E N 0.282 120.410 120.200 -0.119 0.000 2.611 158 E HA 0.100 4.450 4.350 0.000 0.000 0.284 158 E C 1.223 177.747 176.600 -0.126 0.000 0.800 158 E CA 0.731 57.065 56.400 -0.110 0.000 1.264 158 E CB -0.835 28.785 29.700 -0.134 0.000 1.735 158 E HN 0.205 nan 8.360 nan 0.000 0.526 159 G N 0.581 109.259 108.800 -0.203 0.000 3.311 159 G HA2 -0.007 3.953 3.960 0.000 0.000 0.169 159 G HA3 -0.007 3.953 3.960 0.000 0.000 0.169 159 G C 0.055 174.844 174.900 -0.184 0.000 1.852 159 G CA 0.273 45.239 45.100 -0.224 0.000 1.010 159 G HN 0.501 nan 8.290 nan 0.000 0.530 160 H N -0.124 118.926 119.070 -0.033 0.000 2.505 160 H HA 0.439 4.995 4.556 0.000 0.000 0.260 160 H C -0.207 175.237 175.328 0.194 0.000 1.168 160 H CA -0.417 55.659 56.048 0.047 0.000 0.945 160 H CB -0.172 29.576 29.762 -0.022 0.000 1.800 160 H HN 0.135 nan 8.280 nan 0.000 0.586 161 K N 1.718 122.071 120.400 -0.078 0.000 2.249 161 K HA 0.422 4.742 4.320 0.000 0.000 0.280 161 K C -0.411 176.134 176.600 -0.092 0.000 1.033 161 K CA -0.332 55.838 56.287 -0.196 0.000 0.946 161 K CB 1.467 33.588 32.500 -0.632 0.000 1.005 161 K HN 0.199 nan 8.250 nan 0.000 0.469 162 L N 2.047 123.274 121.223 0.007 0.000 2.362 162 L HA 0.614 4.954 4.340 0.000 0.000 0.271 162 L C -0.705 176.335 176.870 0.282 0.000 1.002 162 L CA -0.873 53.956 54.840 -0.018 0.000 0.818 162 L CB 2.032 43.939 42.059 -0.254 0.000 1.298 162 L HN 0.670 nan 8.230 nan 0.000 0.420 163 A N 3.027 126.038 122.820 0.320 0.000 2.359 163 A HA 0.772 5.092 4.320 0.000 0.000 0.303 163 A C -1.572 176.057 177.584 0.075 0.000 1.066 163 A CA -0.381 51.782 52.037 0.209 0.000 0.730 163 A CB 1.128 20.228 19.000 0.166 0.000 1.211 163 A HN 0.644 nan 8.150 nan 0.000 0.439 164 Y N -0.093 120.177 120.300 -0.050 0.000 2.562 164 Y HA 0.760 5.310 4.550 0.000 0.000 0.345 164 Y C -1.245 174.685 175.900 0.049 0.000 1.045 164 Y CA -1.573 56.466 58.100 -0.100 0.000 1.028 164 Y CB 1.079 39.402 38.460 -0.228 0.000 1.297 164 Y HN 0.386 nan 8.280 nan 0.000 0.463 165 V N 2.746 122.804 119.914 0.240 0.000 2.435 165 V HA 0.393 4.513 4.120 0.000 0.000 0.290 165 V C -1.301 175.029 176.094 0.394 0.000 1.030 165 V CA -0.524 61.895 62.300 0.199 0.000 0.881 165 V CB 1.252 33.098 31.823 0.038 0.000 0.983 165 V HN 0.885 nan 8.190 nan 0.000 0.445 166 W N 5.174 126.598 121.300 0.206 0.000 3.259 166 W HA 0.526 5.186 4.660 0.000 0.000 0.331 166 W C 0.102 176.695 176.519 0.124 0.000 1.144 166 W CA -1.059 56.378 57.345 0.153 0.000 1.227 166 W CB 1.320 30.872 29.460 0.153 0.000 1.371 166 W HN 0.531 nan 8.180 nan 0.000 0.491 167 K N 5.111 125.094 120.400 -0.695 0.000 3.035 167 K HA -0.323 3.997 4.320 0.000 0.000 0.262 167 K C 0.258 176.674 176.600 -0.306 0.000 1.024 167 K CA 1.545 57.442 56.287 -0.651 0.000 0.748 167 K CB -1.625 30.284 32.500 -0.985 0.000 1.247 167 K HN 0.890 nan 8.250 nan 0.000 0.482 168 N N -0.466 118.109 118.700 -0.208 0.000 2.778 168 N HA -0.168 4.572 4.740 0.000 0.000 0.249 168 N C -0.661 174.769 175.510 -0.133 0.000 1.069 168 N CA 1.837 54.783 53.050 -0.174 0.000 0.831 168 N CB -0.385 37.934 38.487 -0.279 0.000 1.142 168 N HN 0.480 nan 8.380 nan 0.000 0.573 169 D N -0.195 120.155 120.400 -0.083 0.000 2.340 169 D HA 0.480 5.120 4.640 0.000 0.000 0.240 169 D C 0.470 176.631 176.300 -0.233 0.000 1.001 169 D CA -0.452 53.438 54.000 -0.183 0.000 0.888 169 D CB 1.319 41.999 40.800 -0.200 0.000 1.310 169 D HN 0.004 nan 8.370 nan 0.000 0.474 170 I N 1.699 121.977 120.570 -0.486 0.000 2.396 170 I HA 0.242 4.412 4.170 0.000 0.000 0.292 170 I C -0.618 175.037 176.117 -0.770 0.000 0.999 170 I CA -0.424 60.567 61.300 -0.515 0.000 1.310 170 I CB 0.556 38.183 38.000 -0.621 0.000 1.404 170 I HN 0.171 nan 8.210 nan 0.000 0.496 171 Y N 3.940 123.901 120.300 -0.565 0.000 2.545 171 Y HA 0.682 5.232 4.550 0.000 0.000 0.348 171 Y C -0.321 175.282 175.900 -0.495 0.000 1.002 171 Y CA -0.905 56.827 58.100 -0.613 0.000 1.039 171 Y CB 2.107 39.941 38.460 -1.044 0.000 1.271 171 Y HN 0.123 nan 8.280 nan 0.000 0.467 172 V N 2.418 122.293 119.914 -0.064 0.000 2.841 172 V HA 0.487 4.607 4.120 0.000 0.000 0.310 172 V C -1.104 175.099 176.094 0.183 0.000 1.090 172 V CA -1.442 60.905 62.300 0.078 0.000 0.930 172 V CB 2.276 34.159 31.823 0.100 0.000 1.014 172 V HN 0.622 nan 8.190 nan 0.000 0.425 173 K N 4.463 124.978 120.400 0.191 0.000 2.604 173 K HA 0.406 4.726 4.320 0.000 0.000 0.247 173 K C 0.185 176.867 176.600 0.136 0.000 0.956 173 K CA -0.583 55.805 56.287 0.168 0.000 0.896 173 K CB 2.043 34.604 32.500 0.102 0.000 1.131 173 K HN 0.442 nan 8.250 nan 0.000 0.440 174 I N 1.169 121.825 120.570 0.144 0.000 2.399 174 I HA -0.278 3.892 4.170 0.000 0.000 0.254 174 I C 0.748 176.905 176.117 0.067 0.000 1.146 174 I CA 1.415 62.761 61.300 0.077 0.000 1.412 174 I CB -0.364 37.673 38.000 0.061 0.000 1.076 174 I HN 0.666 nan 8.210 nan 0.000 0.432 175 E N -1.417 118.845 120.200 0.103 0.000 2.352 175 E HA 0.304 4.654 4.350 0.000 0.000 0.280 175 E C -2.393 174.198 176.600 -0.016 0.000 0.930 175 E CA -1.646 54.836 56.400 0.137 0.000 0.765 175 E CB 1.481 31.314 29.700 0.221 0.000 1.219 175 E HN -0.301 nan 8.360 nan 0.000 0.434 176 P HA -0.225 nan 4.420 nan 0.000 0.218 176 P C 0.618 177.757 177.300 -0.269 0.000 1.154 176 P CA 1.512 64.394 63.100 -0.362 0.000 0.872 176 P CB 0.036 31.267 31.700 -0.781 0.000 0.790 177 H N -1.602 117.433 119.070 -0.057 0.000 2.470 177 H HA 0.090 4.646 4.556 0.000 0.000 0.289 177 H C 1.137 176.462 175.328 -0.005 0.000 1.033 177 H CA 0.494 56.536 56.048 -0.011 0.000 1.331 177 H CB -0.510 29.263 29.762 0.018 0.000 1.414 177 H HN 0.178 nan 8.280 nan 0.000 0.545 178 L N 2.663 123.954 121.223 0.112 0.000 2.453 178 L HA 0.151 4.491 4.340 0.000 0.000 0.261 178 L C -1.761 175.130 176.870 0.035 0.000 1.179 178 L CA -1.822 53.067 54.840 0.082 0.000 0.813 178 L CB 0.244 42.370 42.059 0.111 0.000 1.110 178 L HN -0.010 nan 8.230 nan 0.000 0.466 179 P HA 0.074 nan 4.420 nan 0.000 0.274 179 P C -0.843 176.403 177.300 -0.089 0.000 1.237 179 P CA -0.417 62.645 63.100 -0.064 0.000 0.793 179 P CB 0.911 32.547 31.700 -0.106 0.000 0.977 180 S N 0.861 116.518 115.700 -0.073 0.000 2.565 180 S HA 0.177 4.647 4.470 0.000 0.000 0.276 180 S C 0.075 174.609 174.600 -0.110 0.000 1.326 180 S CA -0.246 57.955 58.200 0.002 0.000 1.045 180 S CB -0.268 62.980 63.200 0.080 0.000 0.918 180 S HN 0.388 nan 8.310 nan 0.000 0.505 181 H N 2.542 121.659 119.070 0.079 0.000 2.581 181 H HA 0.215 4.771 4.556 0.000 0.000 0.308 181 H C 0.265 175.578 175.328 -0.025 0.000 1.040 181 H CA -0.423 55.645 56.048 0.034 0.000 1.231 181 H CB 0.721 30.486 29.762 0.006 0.000 1.396 181 H HN 0.493 nan 8.280 nan 0.000 0.467 182 R N 3.916 124.429 120.500 0.023 0.000 2.370 182 R HA 0.038 4.378 4.340 0.000 0.000 0.309 182 R C 0.530 176.644 176.300 -0.311 0.000 1.059 182 R CA -0.262 55.646 56.100 -0.321 0.000 0.981 182 R CB 0.213 30.381 30.300 -0.220 0.000 0.972 182 R HN 0.520 nan 8.270 nan 0.000 0.437 183 I N 2.688 122.982 120.570 -0.460 0.000 2.867 183 I HA -0.027 4.143 4.170 0.000 0.000 0.265 183 I C 1.049 176.940 176.117 -0.377 0.000 1.162 183 I CA 0.947 62.032 61.300 -0.358 0.000 1.471 183 I CB -0.630 37.126 38.000 -0.407 0.000 1.123 183 I HN 0.712 nan 8.210 nan 0.000 0.440 184 T N -2.070 112.204 114.554 -0.466 0.000 2.883 184 T HA 0.548 4.898 4.350 0.000 0.000 0.296 184 T C 0.289 174.807 174.700 -0.305 0.000 1.117 184 T CA 0.019 61.897 62.100 -0.370 0.000 1.006 184 T CB 2.346 70.964 68.868 -0.418 0.000 1.191 184 T HN 0.072 nan 8.240 nan 0.000 0.508 185 S N -1.741 113.836 115.700 -0.205 0.000 2.800 185 S HA 0.098 4.568 4.470 0.000 0.000 0.266 185 S C 1.448 175.987 174.600 -0.102 0.000 1.029 185 S CA 0.413 58.530 58.200 -0.138 0.000 1.302 185 S CB -0.545 62.596 63.200 -0.098 0.000 1.212 185 S HN 1.069 nan 8.310 nan 0.000 0.683 186 T N -0.114 114.375 114.554 -0.109 0.000 3.088 186 T HA 0.269 4.619 4.350 0.000 0.000 0.259 186 T C 1.218 175.877 174.700 -0.068 0.000 1.122 186 T CA 0.534 62.592 62.100 -0.070 0.000 1.095 186 T CB -0.789 68.045 68.868 -0.057 0.000 0.930 186 T HN 0.598 nan 8.240 nan 0.000 0.508 187 G N 1.357 110.096 108.800 -0.102 0.000 2.178 187 G HA2 0.303 4.263 3.960 0.000 0.000 0.244 187 G HA3 0.303 4.263 3.960 0.000 0.000 0.244 187 G C -0.571 174.249 174.900 -0.133 0.000 1.213 187 G CA -0.309 44.716 45.100 -0.125 0.000 0.912 187 G HN 0.658 nan 8.290 nan 0.000 0.474 188 K N 1.956 122.255 120.400 -0.167 0.000 2.561 188 K HA 0.205 4.525 4.320 0.000 0.000 0.254 188 K C -0.226 176.234 176.600 -0.235 0.000 0.942 188 K CA -0.758 55.437 56.287 -0.153 0.000 0.818 188 K CB 1.751 34.210 32.500 -0.069 0.000 1.306 188 K HN 0.644 nan 8.250 nan 0.000 0.435 189 E N 3.458 123.534 120.200 -0.206 0.000 2.529 189 E HA -0.123 4.227 4.350 0.000 0.000 0.259 189 E C -0.260 176.275 176.600 -0.108 0.000 0.966 189 E CA 0.557 56.824 56.400 -0.222 0.000 0.937 189 E CB 0.215 29.825 29.700 -0.151 0.000 0.923 189 E HN 0.673 nan 8.360 nan 0.000 0.468 190 N N 1.815 120.447 118.700 -0.112 0.000 2.732 190 N HA -0.213 4.527 4.740 0.000 0.000 0.250 190 N C 0.012 175.730 175.510 0.346 0.000 1.097 190 N CA 1.181 54.379 53.050 0.246 0.000 0.812 190 N CB -0.959 37.691 38.487 0.272 0.000 1.148 190 N HN 0.342 nan 8.380 nan 0.000 0.572 191 V N -1.405 118.603 119.914 0.155 0.000 3.442 191 V HA 0.273 4.393 4.120 0.000 0.000 0.205 191 V C 0.463 176.724 176.094 0.278 0.000 1.320 191 V CA 0.339 62.780 62.300 0.235 0.000 1.306 191 V CB 0.683 32.583 31.823 0.127 0.000 1.267 191 V HN 0.011 nan 8.190 nan 0.000 0.538 192 I N 1.641 122.245 120.570 0.056 0.000 2.382 192 I HA 0.473 4.643 4.170 0.000 0.000 0.286 192 I C -1.373 174.747 176.117 0.004 0.000 1.002 192 I CA -0.444 60.941 61.300 0.141 0.000 1.135 192 I CB 0.898 38.938 38.000 0.066 0.000 1.288 192 I HN 0.098 nan 8.210 nan 0.000 0.448 193 F N 5.022 125.080 119.950 0.180 0.000 2.388 193 F HA 0.425 4.952 4.527 0.000 0.000 0.358 193 F C 0.623 176.526 175.800 0.173 0.000 1.122 193 F CA -0.701 57.413 58.000 0.190 0.000 1.056 193 F CB 0.894 40.068 39.000 0.290 0.000 1.155 193 F HN 0.314 nan 8.300 nan 0.000 0.461 194 N N 2.271 121.067 118.700 0.160 0.000 2.476 194 N HA 0.397 5.137 4.740 0.000 0.000 0.257 194 N C 0.863 176.349 175.510 -0.040 0.000 0.970 194 N CA 0.232 53.306 53.050 0.040 0.000 0.938 194 N CB 1.796 40.193 38.487 -0.151 0.000 1.144 194 N HN 0.876 nan 8.380 nan 0.000 0.500 195 G N 1.532 110.347 108.800 0.025 0.000 2.199 195 G HA2 -0.247 3.713 3.960 0.000 0.000 0.254 195 G HA3 -0.247 3.713 3.960 0.000 0.000 0.254 195 G C 0.120 174.916 174.900 -0.174 0.000 0.982 195 G CA 0.615 45.654 45.100 -0.102 0.000 0.632 195 G HN 0.630 nan 8.290 nan 0.000 0.529 196 I N -3.082 117.453 120.570 -0.057 0.000 3.042 196 I HA 0.673 4.843 4.170 0.000 0.000 0.310 196 I C -0.656 175.512 176.117 0.085 0.000 1.117 196 I CA -1.597 59.566 61.300 -0.229 0.000 1.003 196 I CB 1.737 39.454 38.000 -0.472 0.000 1.228 196 I HN -0.129 nan 8.210 nan 0.000 0.443 197 N N 2.754 121.463 118.700 0.014 0.000 2.509 197 N HA 0.191 4.931 4.740 0.000 0.000 0.287 197 N C -0.916 174.426 175.510 -0.280 0.000 1.121 197 N CA -0.343 52.552 53.050 -0.258 0.000 0.977 197 N CB 1.223 39.662 38.487 -0.081 0.000 1.167 197 N HN 0.774 nan 8.380 nan 0.000 0.476 198 D N -0.242 119.648 120.400 -0.850 0.000 2.414 198 D HA -0.067 4.573 4.640 0.000 0.000 0.259 198 D C 1.130 177.298 176.300 -0.219 0.000 1.269 198 D CA -0.398 53.043 54.000 -0.932 0.000 1.028 198 D CB 0.613 40.765 40.800 -1.079 0.000 1.093 198 D HN 0.498 nan 8.370 nan 0.000 0.545 199 W N 0.412 121.610 121.300 -0.171 0.000 2.315 199 W HA -0.240 4.420 4.660 0.000 0.000 0.323 199 W C 2.345 178.762 176.519 -0.170 0.000 1.233 199 W CA 2.604 59.872 57.345 -0.129 0.000 1.267 199 W CB -0.631 28.705 29.460 -0.206 0.000 1.160 199 W HN 0.218 nan 8.180 nan 0.000 0.474 200 V N -0.108 119.868 119.914 0.103 0.000 2.407 200 V HA -0.316 3.804 4.120 0.000 0.000 0.248 200 V C 1.947 177.874 176.094 -0.279 0.000 1.055 200 V CA 2.159 64.401 62.300 -0.097 0.000 1.049 200 V CB -0.798 30.989 31.823 -0.060 0.000 0.662 200 V HN 0.315 nan 8.190 nan 0.000 0.455 201 Y N 0.588 120.711 120.300 -0.296 0.000 2.200 201 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 201 Y C 2.675 178.448 175.900 -0.211 0.000 1.137 201 Y CA 2.231 60.152 58.100 -0.298 0.000 1.163 201 Y CB -0.214 37.982 38.460 -0.441 0.000 0.988 201 Y HN 0.337 nan 8.280 nan 0.000 0.518 202 E N 0.194 120.357 120.200 -0.062 0.000 2.110 202 E HA -0.286 4.064 4.350 0.000 0.000 0.193 202 E C 1.895 178.443 176.600 -0.088 0.000 0.988 202 E CA 1.592 57.980 56.400 -0.021 0.000 0.804 202 E CB 0.078 29.760 29.700 -0.029 0.000 0.745 202 E HN 0.427 nan 8.360 nan 0.000 0.458 203 E N 0.256 120.239 120.200 -0.361 0.000 2.042 203 E HA -0.115 4.235 4.350 0.000 0.000 0.189 203 E C 1.764 178.260 176.600 -0.173 0.000 0.974 203 E CA 1.299 57.480 56.400 -0.364 0.000 0.806 203 E CB 0.134 29.294 29.700 -0.900 0.000 0.769 203 E HN 0.149 nan 8.360 nan 0.000 0.451 204 E N -0.281 119.784 120.200 -0.226 0.000 2.340 204 E HA 0.057 4.407 4.350 0.000 0.000 0.194 204 E C 1.810 178.279 176.600 -0.218 0.000 0.996 204 E CA 0.273 56.586 56.400 -0.146 0.000 0.869 204 E CB 0.462 30.060 29.700 -0.170 0.000 0.835 204 E HN 0.332 nan 8.360 nan 0.000 0.493 205 I N -0.730 119.634 120.570 -0.343 0.000 2.962 205 I HA 0.036 4.206 4.170 0.000 0.000 0.246 205 I C 2.004 177.925 176.117 -0.327 0.000 1.091 205 I CA 0.746 61.762 61.300 -0.473 0.000 1.469 205 I CB -1.010 36.487 38.000 -0.839 0.000 1.324 205 I HN -0.039 nan 8.210 nan 0.000 0.461 206 F N 1.231 121.187 119.950 0.010 0.000 2.619 206 F HA 0.257 4.784 4.527 0.000 0.000 0.293 206 F C 1.783 177.542 175.800 -0.069 0.000 1.119 206 F CA 0.550 58.564 58.000 0.025 0.000 1.445 206 F CB -0.162 38.889 39.000 0.085 0.000 1.119 206 F HN 0.304 nan 8.300 nan 0.000 0.573 207 G N 1.402 110.230 108.800 0.048 0.000 2.283 207 G HA2 -0.057 3.903 3.960 0.000 0.000 0.280 207 G HA3 -0.057 3.903 3.960 0.000 0.000 0.280 207 G C -0.132 174.413 174.900 -0.593 0.000 1.029 207 G CA 0.195 45.201 45.100 -0.156 0.000 0.840 207 G HN 0.767 nan 8.290 nan 0.000 0.505 208 A N -2.055 120.614 122.820 -0.251 0.000 2.610 208 A HA 0.695 5.015 4.320 0.000 0.000 0.291 208 A C 0.079 177.634 177.584 -0.047 0.000 1.086 208 A CA 0.241 52.129 52.037 -0.249 0.000 0.677 208 A CB 0.440 19.305 19.000 -0.224 0.000 1.278 208 A HN 0.929 nan 8.150 nan 0.000 0.414 209 Y N 1.144 121.275 120.300 -0.282 0.000 2.365 209 Y HA 0.170 4.720 4.550 0.000 0.000 0.293 209 Y C 1.571 177.146 175.900 -0.543 0.000 1.119 209 Y CA 1.088 59.009 58.100 -0.298 0.000 1.203 209 Y CB -0.095 38.217 38.460 -0.247 0.000 1.026 209 Y HN 0.625 nan 8.280 nan 0.000 0.549 210 S N 0.489 115.616 115.700 -0.954 0.000 2.533 210 S HA 0.435 4.905 4.470 0.000 0.000 0.282 210 S C 0.358 174.413 174.600 -0.907 0.000 1.304 210 S CA 0.202 57.615 58.200 -1.312 0.000 1.063 210 S CB 0.401 62.489 63.200 -1.854 0.000 0.881 210 S HN 0.409 nan 8.310 nan 0.000 0.493 211 A N 5.785 128.104 122.820 -0.836 0.000 2.674 211 A HA 0.505 4.825 4.320 0.000 0.000 0.286 211 A C -0.412 176.532 177.584 -1.065 0.000 0.980 211 A CA -0.483 51.028 52.037 -0.876 0.000 1.028 211 A CB -0.026 18.901 19.000 -0.121 0.000 1.199 211 A HN 0.710 nan 8.150 nan 0.000 0.499 212 L N -0.355 120.140 121.223 -1.214 0.000 2.341 212 L HA 0.672 5.012 4.340 0.000 0.000 0.267 212 L C -1.017 175.347 176.870 -0.844 0.000 1.009 212 L CA -0.742 53.681 54.840 -0.694 0.000 0.819 212 L CB 1.972 43.853 42.059 -0.297 0.000 1.323 212 L HN 0.404 nan 8.230 nan 0.000 0.425 213 W N 1.415 122.760 121.300 0.074 0.000 2.957 213 W HA 0.199 4.859 4.660 0.000 0.000 0.327 213 W C -1.359 175.386 176.519 0.377 0.000 1.039 213 W CA -1.013 56.503 57.345 0.284 0.000 1.257 213 W CB 1.191 30.858 29.460 0.347 0.000 1.238 213 W HN 0.489 nan 8.180 nan 0.000 0.406 214 W N 2.547 124.061 121.300 0.358 0.000 2.190 214 W HA 0.272 4.932 4.660 0.000 0.000 0.330 214 W C 1.266 177.590 176.519 -0.325 0.000 1.299 214 W CA 0.452 57.852 57.345 0.093 0.000 1.215 214 W CB 0.945 30.436 29.460 0.051 0.000 1.147 214 W HN 0.156 nan 8.180 nan 0.000 0.563 215 S N 2.967 118.350 115.700 -0.528 0.000 2.632 215 S HA 0.525 4.995 4.470 0.000 0.000 0.267 215 S C -2.535 171.801 174.600 -0.440 0.000 1.276 215 S CA -1.584 55.739 58.200 -1.461 0.000 0.998 215 S CB 1.135 63.360 63.200 -1.624 0.000 0.953 215 S HN 0.137 nan 8.310 nan 0.000 0.547 216 P HA 0.346 nan 4.420 nan 0.000 0.271 216 P C -0.010 177.247 177.300 -0.071 0.000 1.216 216 P CA 0.043 63.103 63.100 -0.067 0.000 0.776 216 P CB 0.183 31.899 31.700 0.027 0.000 0.881 217 N N 1.766 120.433 118.700 -0.055 0.000 2.980 217 N HA -0.164 4.576 4.740 0.000 0.000 0.219 217 N C 0.938 176.389 175.510 -0.098 0.000 0.883 217 N CA 1.587 54.599 53.050 -0.064 0.000 1.018 217 N CB -1.846 36.617 38.487 -0.040 0.000 1.041 217 N HN 0.814 nan 8.380 nan 0.000 0.592 218 G N -0.747 108.001 108.800 -0.087 0.000 2.203 218 G HA2 -0.397 3.563 3.960 0.000 0.000 0.263 218 G HA3 -0.397 3.563 3.960 0.000 0.000 0.263 218 G C 1.008 175.921 174.900 0.022 0.000 1.012 218 G CA 1.743 46.833 45.100 -0.017 0.000 0.749 218 G HN 0.478 nan 8.290 nan 0.000 0.512 219 T N -0.466 113.999 114.554 -0.148 0.000 2.701 219 T HA 0.198 4.548 4.350 0.000 0.000 0.263 219 T C 1.027 175.483 174.700 -0.406 0.000 1.040 219 T CA 1.372 63.240 62.100 -0.386 0.000 1.147 219 T CB -0.077 68.348 68.868 -0.738 0.000 0.865 219 T HN 0.367 nan 8.240 nan 0.000 0.426 220 F N -0.007 119.953 119.950 0.017 0.000 2.457 220 F HA 0.675 5.202 4.527 0.000 0.000 0.330 220 F C -0.269 175.536 175.800 0.008 0.000 1.069 220 F CA -1.504 56.528 58.000 0.054 0.000 1.009 220 F CB 0.959 40.064 39.000 0.175 0.000 1.276 220 F HN -0.143 nan 8.300 nan 0.000 0.492 221 L N 1.751 123.090 121.223 0.192 0.000 2.504 221 L HA 0.748 5.088 4.340 0.000 0.000 0.265 221 L C -0.877 176.067 176.870 0.123 0.000 0.975 221 L CA -0.600 54.165 54.840 -0.124 0.000 0.864 221 L CB 0.795 42.477 42.059 -0.630 0.000 1.212 221 L HN 0.679 nan 8.230 nan 0.000 0.416 222 A N 4.435 127.425 122.820 0.283 0.000 2.304 222 A HA 0.822 5.142 4.320 0.000 0.000 0.301 222 A C -1.355 176.279 177.584 0.083 0.000 1.132 222 A CA -0.169 51.881 52.037 0.021 0.000 0.819 222 A CB 0.596 19.639 19.000 0.071 0.000 1.094 222 A HN 0.973 nan 8.150 nan 0.000 0.492 223 Y N -1.877 118.200 120.300 -0.370 0.000 2.609 223 Y HA 0.748 5.298 4.550 0.000 0.000 0.336 223 Y C -0.364 175.365 175.900 -0.284 0.000 1.129 223 Y CA -0.924 57.070 58.100 -0.176 0.000 1.040 223 Y CB 0.838 39.186 38.460 -0.186 0.000 1.310 223 Y HN 0.926 nan 8.280 nan 0.000 0.460 224 A N 2.146 125.044 122.820 0.129 0.000 2.320 224 A HA 0.718 5.038 4.320 0.000 0.000 0.334 224 A C -1.170 176.346 177.584 -0.113 0.000 1.147 224 A CA -0.837 51.148 52.037 -0.087 0.000 0.820 224 A CB 1.790 20.767 19.000 -0.038 0.000 1.218 224 A HN 0.838 nan 8.150 nan 0.000 0.482 225 Q N 0.629 120.235 119.800 -0.323 0.000 2.356 225 Q HA 0.661 5.001 4.340 0.000 0.000 0.270 225 Q C -2.124 173.615 176.000 -0.434 0.000 1.058 225 Q CA -0.408 55.328 55.803 -0.111 0.000 0.802 225 Q CB 1.289 30.183 28.738 0.260 0.000 1.303 225 Q HN 0.602 nan 8.270 nan 0.000 0.444 226 F N 1.990 122.048 119.950 0.180 0.000 2.520 226 F HA 0.430 4.957 4.527 0.000 0.000 0.322 226 F C 0.148 176.091 175.800 0.238 0.000 1.103 226 F CA -0.994 57.073 58.000 0.112 0.000 0.926 226 F CB 1.663 40.619 39.000 -0.073 0.000 1.154 226 F HN 0.430 nan 8.300 nan 0.000 0.453 227 N N 1.815 120.721 118.700 0.343 0.000 2.476 227 N HA 0.190 4.930 4.740 0.000 0.000 0.257 227 N C -0.552 175.124 175.510 0.276 0.000 0.970 227 N CA -0.243 52.981 53.050 0.290 0.000 0.938 227 N CB 1.050 39.651 38.487 0.190 0.000 1.144 227 N HN 0.557 nan 8.380 nan 0.000 0.500 228 D N 1.823 122.418 120.400 0.325 0.000 2.325 228 D HA 0.084 4.724 4.640 0.000 0.000 0.225 228 D C 1.197 177.628 176.300 0.218 0.000 1.096 228 D CA 0.232 54.397 54.000 0.274 0.000 0.844 228 D CB 0.434 41.452 40.800 0.363 0.000 0.925 228 D HN 0.507 nan 8.370 nan 0.000 0.513 229 T N -0.415 114.251 114.554 0.186 0.000 2.536 229 T HA -0.194 4.156 4.350 0.000 0.000 0.263 229 T C 1.897 176.663 174.700 0.109 0.000 1.115 229 T CA 1.942 64.124 62.100 0.138 0.000 1.180 229 T CB -0.472 68.463 68.868 0.110 0.000 0.864 229 T HN 0.342 nan 8.240 nan 0.000 0.419 230 G N 0.830 109.686 108.800 0.094 0.000 2.598 230 G HA2 0.115 4.075 3.960 0.000 0.000 0.215 230 G HA3 0.115 4.075 3.960 0.000 0.000 0.215 230 G C 0.506 175.455 174.900 0.080 0.000 1.131 230 G CA -0.002 45.141 45.100 0.073 0.000 0.785 230 G HN 0.463 nan 8.290 nan 0.000 0.539 231 V N 2.044 122.022 119.914 0.107 0.000 2.585 231 V HA 0.144 4.265 4.120 0.000 0.000 0.296 231 V C -1.666 174.495 176.094 0.112 0.000 1.035 231 V CA -1.294 61.074 62.300 0.113 0.000 1.084 231 V CB 1.174 33.080 31.823 0.138 0.000 0.953 231 V HN 0.077 nan 8.190 nan 0.000 0.483 232 P HA 0.343 nan 4.420 nan 0.000 0.274 232 P C -0.643 176.716 177.300 0.097 0.000 1.246 232 P CA -0.346 62.802 63.100 0.080 0.000 0.795 232 P CB 0.578 32.319 31.700 0.068 0.000 1.006 233 L N 1.445 122.706 121.223 0.064 0.000 2.334 233 L HA 0.601 4.941 4.340 0.000 0.000 0.272 233 L C 0.206 177.065 176.870 -0.019 0.000 1.020 233 L CA -1.004 53.880 54.840 0.073 0.000 0.812 233 L CB 0.981 43.101 42.059 0.102 0.000 1.264 233 L HN 0.297 nan 8.230 nan 0.000 0.439 234 I N -1.400 119.119 120.570 -0.083 0.000 2.530 234 I HA 0.565 4.735 4.170 0.000 0.000 0.297 234 I C -0.883 175.133 176.117 -0.169 0.000 1.011 234 I CA -0.330 60.811 61.300 -0.265 0.000 1.107 234 I CB 1.956 39.547 38.000 -0.683 0.000 1.285 234 I HN 0.490 nan 8.210 nan 0.000 0.436 235 E N 5.143 125.252 120.200 -0.152 0.000 2.265 235 E HA 0.392 4.742 4.350 0.000 0.000 0.262 235 E C -1.813 174.742 176.600 -0.075 0.000 0.889 235 E CA -0.735 55.600 56.400 -0.108 0.000 0.789 235 E CB 2.043 31.718 29.700 -0.041 0.000 1.221 235 E HN 0.691 nan 8.360 nan 0.000 0.414 236 Y N -0.692 119.565 120.300 -0.072 0.000 2.549 236 Y HA 0.682 5.232 4.550 0.000 0.000 0.339 236 Y C -0.213 175.650 175.900 -0.062 0.000 1.053 236 Y CA -1.290 56.762 58.100 -0.081 0.000 1.105 236 Y CB 1.060 39.480 38.460 -0.065 0.000 1.258 236 Y HN 0.135 nan 8.280 nan 0.000 0.478 237 S N 1.941 117.708 115.700 0.111 0.000 2.586 237 S HA 0.490 4.960 4.470 0.000 0.000 0.274 237 S C -1.535 172.994 174.600 -0.118 0.000 1.281 237 S CA -0.459 57.665 58.200 -0.128 0.000 1.035 237 S CB 0.277 63.252 63.200 -0.376 0.000 0.962 237 S HN 0.558 nan 8.310 nan 0.000 0.512 238 F N 2.506 122.234 119.950 -0.370 0.000 2.507 238 F HA 0.432 4.959 4.527 0.000 0.000 0.328 238 F C -0.341 175.222 175.800 -0.395 0.000 1.136 238 F CA -0.800 57.063 58.000 -0.228 0.000 0.930 238 F CB 0.802 39.808 39.000 0.011 0.000 1.166 238 F HN 0.670 nan 8.300 nan 0.000 0.436 239 Y N 2.614 122.704 120.300 -0.351 0.000 2.397 239 Y HA 0.137 4.687 4.550 0.000 0.000 0.292 239 Y C 1.704 177.537 175.900 -0.112 0.000 1.115 239 Y CA 0.962 58.956 58.100 -0.177 0.000 1.208 239 Y CB -0.711 37.637 38.460 -0.187 0.000 1.046 239 Y HN 0.713 nan 8.280 nan 0.000 0.552 240 S N -0.114 115.487 115.700 -0.165 0.000 3.381 240 S HA -0.221 4.249 4.470 0.000 0.000 0.636 240 S C -0.598 174.059 174.600 0.095 0.000 2.614 240 S CA 0.202 58.475 58.200 0.122 0.000 2.810 240 S CB -1.064 62.340 63.200 0.341 0.000 0.331 240 S HN 0.501 nan 8.310 nan 0.000 1.788 241 D N 2.101 122.575 120.400 0.123 0.000 2.478 241 D HA 0.066 4.706 4.640 0.000 0.000 0.234 241 D C 1.523 177.865 176.300 0.070 0.000 1.154 241 D CA 0.787 54.837 54.000 0.085 0.000 0.874 241 D CB 0.148 40.999 40.800 0.084 0.000 1.198 241 D HN 0.729 nan 8.370 nan 0.000 0.455 242 E N -0.055 120.173 120.200 0.047 0.000 2.455 242 E HA -0.193 4.157 4.350 0.000 0.000 0.202 242 E C 1.153 177.775 176.600 0.038 0.000 1.045 242 E CA 0.961 57.381 56.400 0.034 0.000 0.872 242 E CB -0.080 29.630 29.700 0.017 0.000 0.792 242 E HN 0.348 nan 8.360 nan 0.000 0.542 243 S N 0.672 116.401 115.700 0.048 0.000 2.436 243 S HA -0.069 4.401 4.470 0.000 0.000 0.228 243 S C 0.975 175.611 174.600 0.060 0.000 1.014 243 S CA -0.143 58.086 58.200 0.048 0.000 0.950 243 S CB -0.316 62.913 63.200 0.049 0.000 0.784 243 S HN 0.293 nan 8.310 nan 0.000 0.504 244 L N 2.867 124.137 121.223 0.078 0.000 2.500 244 L HA 0.217 4.557 4.340 0.000 0.000 0.272 244 L C 1.455 178.377 176.870 0.087 0.000 1.149 244 L CA 0.248 55.147 54.840 0.098 0.000 0.897 244 L CB 0.317 42.450 42.059 0.123 0.000 1.178 244 L HN 0.313 nan 8.230 nan 0.000 0.473 245 Q N 3.924 123.783 119.800 0.099 0.000 2.079 245 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 245 Q C -0.551 175.423 176.000 -0.043 0.000 0.974 245 Q CA 1.317 57.139 55.803 0.032 0.000 0.840 245 Q CB 0.153 28.937 28.738 0.076 0.000 0.898 245 Q HN 0.680 nan 8.270 nan 0.000 0.430 246 Y N 1.136 121.457 120.300 0.036 0.000 2.341 246 Y HA 0.387 4.937 4.550 0.000 0.000 0.338 246 Y C -2.068 173.847 175.900 0.027 0.000 0.965 246 Y CA -3.073 55.044 58.100 0.029 0.000 1.108 246 Y CB 1.308 39.778 38.460 0.017 0.000 1.180 246 Y HN 0.159 nan 8.280 nan 0.000 0.458 247 P HA 0.032 nan 4.420 nan 0.000 0.269 247 P C -0.565 176.752 177.300 0.028 0.000 1.209 247 P CA -0.271 62.843 63.100 0.024 0.000 0.776 247 P CB 1.036 32.649 31.700 -0.145 0.000 0.876 248 K N 1.280 121.701 120.400 0.035 0.000 2.120 248 K HA 0.405 4.725 4.320 0.000 0.000 0.245 248 K C 0.221 176.816 176.600 -0.007 0.000 1.024 248 K CA -0.055 56.258 56.287 0.044 0.000 0.906 248 K CB 0.197 32.743 32.500 0.078 0.000 1.051 248 K HN 0.379 nan 8.250 nan 0.000 0.491 249 T N 0.642 115.193 114.554 -0.005 0.000 2.881 249 T HA 0.301 4.651 4.350 0.000 0.000 0.291 249 T C -0.651 174.016 174.700 -0.054 0.000 0.990 249 T CA -0.651 61.430 62.100 -0.032 0.000 0.976 249 T CB 1.306 70.185 68.868 0.019 0.000 0.970 249 T HN 0.131 nan 8.240 nan 0.000 0.438 250 V N 5.482 125.224 119.914 -0.286 0.000 2.394 250 V HA 0.561 4.681 4.120 0.000 0.000 0.282 250 V C -0.311 175.576 176.094 -0.345 0.000 1.031 250 V CA -0.886 61.147 62.300 -0.445 0.000 0.881 250 V CB 0.739 32.080 31.823 -0.803 0.000 0.982 250 V HN 0.801 nan 8.190 nan 0.000 0.451 251 W N 5.050 126.219 121.300 -0.218 0.000 2.666 251 W HA 0.871 5.531 4.660 0.000 0.000 0.334 251 W C -1.316 175.170 176.519 -0.055 0.000 1.051 251 W CA -1.549 55.701 57.345 -0.158 0.000 1.224 251 W CB 1.151 30.550 29.460 -0.101 0.000 1.405 251 W HN 0.330 nan 8.180 nan 0.000 0.513 252 I N 3.951 124.587 120.570 0.110 0.000 2.534 252 I HA 0.223 4.393 4.170 0.000 0.000 0.288 252 I C -2.276 173.932 176.117 0.150 0.000 1.077 252 I CA -2.408 58.942 61.300 0.084 0.000 1.051 252 I CB 3.075 41.011 38.000 -0.107 0.000 1.234 252 I HN -0.019 nan 8.210 nan 0.000 0.425 253 P HA 0.049 nan 4.420 nan 0.000 0.275 253 P C -1.468 175.944 177.300 0.186 0.000 1.276 253 P CA 0.256 63.494 63.100 0.230 0.000 0.782 253 P CB 0.057 31.926 31.700 0.282 0.000 0.851 254 Y N 6.846 127.134 120.300 -0.021 0.000 2.329 254 Y HA 0.407 4.957 4.550 0.000 0.000 0.328 254 Y C -2.495 173.398 175.900 -0.012 0.000 0.992 254 Y CA -2.755 55.289 58.100 -0.093 0.000 1.151 254 Y CB 2.465 40.763 38.460 -0.269 0.000 1.150 254 Y HN 0.249 nan 8.280 nan 0.000 0.450 255 P HA 0.239 nan 4.420 nan 0.000 0.292 255 P C -1.308 176.045 177.300 0.089 0.000 1.326 255 P CA -0.330 62.812 63.100 0.069 0.000 0.787 255 P CB 1.493 33.214 31.700 0.035 0.000 0.903 256 K N 2.034 122.576 120.400 0.236 0.000 2.107 256 K HA 0.503 4.824 4.320 0.000 0.000 0.251 256 K C 0.546 177.260 176.600 0.189 0.000 1.012 256 K CA -0.713 55.739 56.287 0.275 0.000 0.920 256 K CB 0.639 33.320 32.500 0.302 0.000 1.033 256 K HN 0.459 nan 8.250 nan 0.000 0.478 257 A N 1.024 123.984 122.820 0.234 0.000 2.591 257 A HA 0.215 4.535 4.320 0.000 0.000 0.244 257 A C 1.282 178.921 177.584 0.093 0.000 1.031 257 A CA 1.186 53.346 52.037 0.205 0.000 0.767 257 A CB -1.240 17.977 19.000 0.362 0.000 0.942 257 A HN 0.936 nan 8.150 nan 0.000 0.514 258 G N 1.171 110.006 108.800 0.058 0.000 2.253 258 G HA2 0.095 4.055 3.960 0.000 0.000 0.251 258 G HA3 0.095 4.055 3.960 0.000 0.000 0.251 258 G C 0.801 175.717 174.900 0.026 0.000 0.998 258 G CA 0.786 45.892 45.100 0.010 0.000 0.621 258 G HN 2.294 nan 8.290 nan 0.000 0.524 259 A N -0.027 122.826 122.820 0.055 0.000 2.366 259 A HA 0.638 4.959 4.320 0.000 0.000 0.250 259 A C 0.944 178.555 177.584 0.046 0.000 1.099 259 A CA 0.516 52.586 52.037 0.056 0.000 0.794 259 A CB 0.524 19.574 19.000 0.084 0.000 1.056 259 A HN 1.209 nan 8.150 nan 0.000 0.499 260 V N 2.651 122.591 119.914 0.044 0.000 2.529 260 V HA 0.022 4.142 4.120 0.000 0.000 0.292 260 V C 0.439 176.564 176.094 0.053 0.000 1.028 260 V CA -0.028 62.295 62.300 0.038 0.000 1.074 260 V CB 0.073 31.920 31.823 0.040 0.000 0.958 260 V HN 0.862 nan 8.190 nan 0.000 0.481 261 N N 6.608 125.331 118.700 0.039 0.000 2.458 261 N HA 0.503 5.243 4.740 0.000 0.000 0.271 261 N C -2.360 173.208 175.510 0.095 0.000 1.210 261 N CA -1.238 51.852 53.050 0.066 0.000 0.978 261 N CB 1.139 39.645 38.487 0.032 0.000 1.206 261 N HN 0.391 nan 8.380 nan 0.000 0.536 262 P HA 0.153 nan 4.420 nan 0.000 0.276 262 P C -0.534 176.887 177.300 0.202 0.000 1.261 262 P CA -0.146 63.078 63.100 0.207 0.000 0.800 262 P CB 0.509 32.368 31.700 0.265 0.000 1.066 263 T N -2.300 112.363 114.554 0.182 0.000 2.940 263 T HA 0.645 4.995 4.350 0.000 0.000 0.288 263 T C -0.018 174.759 174.700 0.129 0.000 1.033 263 T CA -0.691 61.471 62.100 0.104 0.000 1.033 263 T CB 1.006 69.907 68.868 0.054 0.000 1.079 263 T HN 0.233 nan 8.240 nan 0.000 0.496 264 V N 0.155 120.104 119.914 0.059 0.000 3.046 264 V HA 0.791 4.911 4.120 0.000 0.000 0.316 264 V C -0.428 175.668 176.094 0.003 0.000 1.104 264 V CA -1.172 61.110 62.300 -0.031 0.000 1.006 264 V CB 1.768 33.633 31.823 0.069 0.000 1.058 264 V HN 1.003 nan 8.190 nan 0.000 0.440 265 K N 1.171 121.505 120.400 -0.109 0.000 2.543 265 K HA 0.528 4.848 4.320 0.000 0.000 0.255 265 K C -2.091 174.296 176.600 -0.354 0.000 0.934 265 K CA -0.436 55.738 56.287 -0.188 0.000 0.810 265 K CB 2.744 35.147 32.500 -0.161 0.000 1.315 265 K HN 0.584 nan 8.250 nan 0.000 0.433 266 F N 3.372 122.949 119.950 -0.622 0.000 2.458 266 F HA 0.571 5.098 4.527 0.000 0.000 0.336 266 F C -1.254 173.929 175.800 -1.028 0.000 1.114 266 F CA -0.514 57.109 58.000 -0.629 0.000 0.987 266 F CB 0.678 39.482 39.000 -0.327 0.000 1.130 266 F HN 0.362 nan 8.300 nan 0.000 0.458 267 F N 5.565 124.834 119.950 -1.135 0.000 2.593 267 F HA 0.689 5.216 4.527 0.000 0.000 0.320 267 F C -0.649 174.509 175.800 -1.069 0.000 1.060 267 F CA -1.017 56.394 58.000 -0.981 0.000 0.940 267 F CB 1.919 40.235 39.000 -1.141 0.000 1.268 267 F HN 0.099 nan 8.300 nan 0.000 0.475 268 I N 2.491 122.848 120.570 -0.355 0.000 2.534 268 I HA 0.452 4.622 4.170 0.000 0.000 0.288 268 I C -1.414 174.761 176.117 0.097 0.000 1.077 268 I CA -0.923 60.252 61.300 -0.209 0.000 1.051 268 I CB 2.112 39.837 38.000 -0.459 0.000 1.234 268 I HN 0.298 nan 8.210 nan 0.000 0.425 269 V N 6.280 126.320 119.914 0.210 0.000 2.628 269 V HA 0.417 4.537 4.120 0.000 0.000 0.306 269 V C -0.291 175.988 176.094 0.308 0.000 1.045 269 V CA -0.553 61.897 62.300 0.249 0.000 0.905 269 V CB 2.196 34.130 31.823 0.186 0.000 0.997 269 V HN 0.758 nan 8.190 nan 0.000 0.436 270 N N 3.841 122.713 118.700 0.288 0.000 2.402 270 N HA 0.066 4.806 4.740 0.000 0.000 0.259 270 N C 0.933 176.464 175.510 0.035 0.000 1.167 270 N CA 0.579 53.731 53.050 0.171 0.000 0.949 270 N CB 1.347 39.926 38.487 0.154 0.000 1.212 270 N HN 0.809 nan 8.380 nan 0.000 0.493 271 T N 2.096 116.652 114.554 0.004 0.000 3.007 271 T HA -0.073 4.277 4.350 0.000 0.000 0.270 271 T C 0.748 175.428 174.700 -0.033 0.000 1.107 271 T CA 0.954 63.065 62.100 0.019 0.000 1.118 271 T CB 0.163 69.131 68.868 0.167 0.000 0.889 271 T HN 0.484 nan 8.240 nan 0.000 0.506 272 D N 0.835 121.187 120.400 -0.080 0.000 2.123 272 D HA -0.035 4.605 4.640 0.000 0.000 0.200 272 D C 2.359 178.617 176.300 -0.070 0.000 0.976 272 D CA 1.284 55.234 54.000 -0.083 0.000 0.831 272 D CB -0.431 40.304 40.800 -0.109 0.000 0.974 272 D HN 0.529 nan 8.370 nan 0.000 0.469 273 S N 0.391 116.058 115.700 -0.054 0.000 2.603 273 S HA -0.007 4.463 4.470 0.000 0.000 0.229 273 S C 2.117 176.673 174.600 -0.073 0.000 0.972 273 S CA 0.065 58.242 58.200 -0.039 0.000 0.935 273 S CB -0.606 62.594 63.200 -0.001 0.000 0.769 273 S HN 0.222 nan 8.310 nan 0.000 0.536 274 L N 2.192 123.330 121.223 -0.142 0.000 2.129 274 L HA -0.144 4.196 4.340 0.000 0.000 0.212 274 L C 2.818 179.500 176.870 -0.312 0.000 1.087 274 L CA 1.540 56.204 54.840 -0.293 0.000 0.757 274 L CB -0.972 40.768 42.059 -0.531 0.000 0.896 274 L HN 0.573 nan 8.230 nan 0.000 0.434 275 S N -1.734 113.852 115.700 -0.189 0.000 2.522 275 S HA -0.049 4.421 4.470 0.000 0.000 0.227 275 S C 1.690 176.297 174.600 0.011 0.000 0.986 275 S CA 0.563 58.734 58.200 -0.047 0.000 0.929 275 S CB -0.124 63.065 63.200 -0.017 0.000 0.769 275 S HN 0.508 nan 8.310 nan 0.000 0.529 276 S N 0.108 115.805 115.700 -0.005 0.000 2.539 276 S HA 0.311 4.781 4.470 0.000 0.000 0.221 276 S C 0.349 174.963 174.600 0.022 0.000 0.987 276 S CA -0.365 57.843 58.200 0.014 0.000 0.929 276 S CB 0.029 63.234 63.200 0.008 0.000 0.832 276 S HN 0.451 nan 8.310 nan 0.000 0.492 277 T N 0.598 115.167 114.554 0.027 0.000 2.838 277 T HA 0.508 4.858 4.350 0.000 0.000 0.292 277 T C 0.962 175.698 174.700 0.060 0.000 1.113 277 T CA -0.110 62.011 62.100 0.035 0.000 1.008 277 T CB 1.473 70.356 68.868 0.025 0.000 1.259 277 T HN 0.178 nan 8.240 nan 0.000 0.520 278 T N -2.125 112.460 114.554 0.052 0.000 3.034 278 T HA 0.253 4.603 4.350 0.000 0.000 0.248 278 T C 0.468 175.200 174.700 0.053 0.000 1.040 278 T CA 0.223 62.359 62.100 0.060 0.000 1.107 278 T CB 0.028 68.918 68.868 0.038 0.000 0.932 278 T HN 0.604 nan 8.240 nan 0.000 0.474 279 T N 1.755 116.328 114.554 0.033 0.000 2.921 279 T HA 0.562 4.912 4.350 0.000 0.000 0.297 279 T C -0.975 173.733 174.700 0.013 0.000 1.013 279 T CA -0.565 61.544 62.100 0.015 0.000 0.990 279 T CB 2.059 70.928 68.868 0.002 0.000 1.023 279 T HN 0.075 nan 8.240 nan 0.000 0.447 280 T N 2.664 117.220 114.554 0.004 0.000 2.929 280 T HA 0.612 4.962 4.350 0.000 0.000 0.284 280 T C 0.015 174.726 174.700 0.018 0.000 1.014 280 T CA -0.589 61.520 62.100 0.016 0.000 1.051 280 T CB 0.564 69.441 68.868 0.015 0.000 1.028 280 T HN 0.436 nan 8.240 nan 0.000 0.485 281 I N 4.949 125.546 120.570 0.045 0.000 2.330 281 I HA 0.279 4.449 4.170 0.000 0.000 0.286 281 I C -1.821 174.350 176.117 0.090 0.000 1.025 281 I CA -2.175 59.154 61.300 0.049 0.000 1.197 281 I CB 1.462 39.495 38.000 0.056 0.000 1.358 281 I HN 0.364 nan 8.210 nan 0.000 0.467 282 P HA 0.167 nan 4.420 nan 0.000 0.271 282 P C -0.804 176.615 177.300 0.198 0.000 1.216 282 P CA -0.304 62.880 63.100 0.139 0.000 0.771 282 P CB 0.851 32.614 31.700 0.106 0.000 0.864 283 M N 1.275 121.023 119.600 0.246 0.000 2.274 283 M HA 0.416 4.896 4.480 0.000 0.000 0.344 283 M C 0.213 176.652 176.300 0.232 0.000 1.161 283 M CA -0.668 54.790 55.300 0.264 0.000 1.126 283 M CB 1.001 33.811 32.600 0.350 0.000 1.522 283 M HN 0.346 nan 8.290 nan 0.000 0.461 284 Q N 2.584 122.494 119.800 0.184 0.000 2.274 284 Q HA 0.671 5.011 4.340 0.000 0.000 0.260 284 Q C -1.826 174.124 176.000 -0.084 0.000 0.974 284 Q CA -0.626 55.131 55.803 -0.077 0.000 0.876 284 Q CB 1.828 30.487 28.738 -0.133 0.000 1.297 284 Q HN 0.879 nan 8.270 nan 0.000 0.446 285 I N 3.194 123.681 120.570 -0.139 0.000 2.359 285 I HA 0.304 4.474 4.170 0.000 0.000 0.294 285 I C -0.049 176.015 176.117 -0.089 0.000 0.987 285 I CA -0.809 60.464 61.300 -0.045 0.000 1.225 285 I CB 1.908 39.913 38.000 0.008 0.000 1.366 285 I HN 0.759 nan 8.210 nan 0.000 0.466 286 T N 2.894 117.371 114.554 -0.129 0.000 2.824 286 T HA 0.705 5.055 4.350 0.000 0.000 0.280 286 T C 0.119 174.563 174.700 -0.426 0.000 0.995 286 T CA -0.839 61.124 62.100 -0.229 0.000 1.009 286 T CB 1.641 70.400 68.868 -0.182 0.000 0.955 286 T HN 0.667 nan 8.240 nan 0.000 0.452 287 A N 4.978 127.304 122.820 -0.825 0.000 2.547 287 A HA 0.452 4.772 4.320 0.000 0.000 0.233 287 A C -1.717 175.353 177.584 -0.857 0.000 1.067 287 A CA -1.015 50.116 52.037 -1.510 0.000 0.763 287 A CB -0.836 16.901 19.000 -2.104 0.000 1.007 287 A HN 0.812 nan 8.150 nan 0.000 0.506 288 P HA 0.121 nan 4.420 nan 0.000 0.267 288 P C 0.827 177.920 177.300 -0.346 0.000 1.200 288 P CA 0.659 63.518 63.100 -0.402 0.000 0.772 288 P CB 0.666 32.209 31.700 -0.261 0.000 0.855 289 A N 3.319 126.001 122.820 -0.230 0.000 1.927 289 A HA -0.218 4.102 4.320 0.000 0.000 0.220 289 A C 1.993 179.466 177.584 -0.185 0.000 1.185 289 A CA 2.420 54.342 52.037 -0.192 0.000 0.639 289 A CB -1.707 17.214 19.000 -0.133 0.000 0.820 289 A HN 0.661 nan 8.150 nan 0.000 0.451 290 S N -1.356 114.259 115.700 -0.142 0.000 2.727 290 S HA 0.183 4.653 4.470 0.000 0.000 0.226 290 S C 0.894 175.382 174.600 -0.186 0.000 0.963 290 S CA 0.888 59.001 58.200 -0.145 0.000 0.950 290 S CB 0.124 63.316 63.200 -0.012 0.000 0.779 290 S HN 0.295 nan 8.310 nan 0.000 0.532 291 V N -0.014 119.761 119.914 -0.232 0.000 3.426 291 V HA 0.078 4.198 4.120 0.000 0.000 0.271 291 V C 1.935 177.765 176.094 -0.439 0.000 1.530 291 V CA 0.821 62.954 62.300 -0.279 0.000 1.021 291 V CB 0.093 31.729 31.823 -0.311 0.000 0.824 291 V HN 0.450 nan 8.190 nan 0.000 0.432 292 T N 0.551 114.853 114.554 -0.421 0.000 3.055 292 T HA -0.104 4.246 4.350 0.000 0.000 0.265 292 T C 1.867 176.487 174.700 -0.134 0.000 1.111 292 T CA 1.742 63.645 62.100 -0.328 0.000 1.118 292 T CB -0.154 68.543 68.868 -0.285 0.000 0.909 292 T HN 0.546 nan 8.240 nan 0.000 0.501 293 T N 0.625 115.103 114.554 -0.127 0.000 2.881 293 T HA 0.156 4.506 4.350 0.000 0.000 0.270 293 T C 1.156 175.831 174.700 -0.042 0.000 1.068 293 T CA 0.951 63.002 62.100 -0.082 0.000 1.131 293 T CB -0.088 68.722 68.868 -0.097 0.000 0.871 293 T HN 0.543 nan 8.240 nan 0.000 0.479 294 G N 0.059 108.850 108.800 -0.015 0.000 2.782 294 G HA2 0.473 4.433 3.960 0.000 0.000 0.304 294 G HA3 0.473 4.433 3.960 0.000 0.000 0.304 294 G C -1.961 172.986 174.900 0.079 0.000 1.315 294 G CA -0.865 44.242 45.100 0.011 0.000 0.791 294 G HN -0.009 nan 8.290 nan 0.000 0.519 295 D N 1.417 121.814 120.400 -0.006 0.000 2.525 295 D HA 0.293 4.933 4.640 0.000 0.000 0.235 295 D C 0.303 176.542 176.300 -0.102 0.000 1.137 295 D CA 0.941 54.877 54.000 -0.107 0.000 0.868 295 D CB 0.333 41.034 40.800 -0.166 0.000 1.180 295 D HN 0.567 nan 8.370 nan 0.000 0.465 296 H N -0.717 118.195 119.070 -0.263 0.000 2.960 296 H HA 0.460 5.016 4.556 0.000 0.000 0.323 296 H C -1.331 173.843 175.328 -0.257 0.000 1.326 296 H CA -0.830 55.080 56.048 -0.230 0.000 1.124 296 H CB 0.489 30.253 29.762 0.004 0.000 1.853 296 H HN 0.339 nan 8.280 nan 0.000 0.536 297 Y N -0.204 120.298 120.300 0.337 0.000 2.605 297 Y HA 0.413 4.963 4.550 0.000 0.000 0.343 297 Y C -0.465 175.662 175.900 0.378 0.000 1.036 297 Y CA -1.263 57.019 58.100 0.303 0.000 1.065 297 Y CB 1.984 40.453 38.460 0.015 0.000 1.288 297 Y HN 0.442 nan 8.280 nan 0.000 0.481 298 L N 1.208 122.722 121.223 0.486 0.000 2.255 298 L HA 0.393 4.733 4.340 0.000 0.000 0.289 298 L C 0.098 176.931 176.870 -0.063 0.000 1.046 298 L CA 0.061 54.866 54.840 -0.058 0.000 0.816 298 L CB 0.486 42.510 42.059 -0.059 0.000 1.197 298 L HN 1.005 nan 8.230 nan 0.000 0.427 299 C N 3.155 122.330 119.300 -0.208 0.000 2.508 299 C HA 0.119 4.580 4.460 0.000 0.000 0.280 299 C C 0.746 175.663 174.990 -0.122 0.000 1.262 299 C CA 0.967 59.870 59.018 -0.191 0.000 1.706 299 C CB -0.733 26.925 27.740 -0.137 0.000 2.078 299 C HN 1.020 nan 8.230 nan 0.000 0.480 300 D N -2.450 117.869 120.400 -0.135 0.000 2.663 300 D HA 0.450 5.090 4.640 0.000 0.000 0.233 300 D C -1.518 174.552 176.300 -0.383 0.000 1.240 300 D CA -0.370 53.616 54.000 -0.024 0.000 0.774 300 D CB 1.289 42.070 40.800 -0.031 0.000 1.443 300 D HN -0.019 nan 8.370 nan 0.000 0.441 301 V N 0.904 120.502 119.914 -0.526 0.000 2.604 301 V HA 0.940 5.060 4.120 0.000 0.000 0.305 301 V C -0.440 175.259 176.094 -0.659 0.000 1.043 301 V CA -0.404 61.306 62.300 -0.984 0.000 0.888 301 V CB 1.378 31.956 31.823 -2.075 0.000 0.995 301 V HN 0.898 nan 8.190 nan 0.000 0.429 302 A N 3.609 126.075 122.820 -0.590 0.000 2.550 302 A HA 0.556 4.877 4.320 0.000 0.000 0.282 302 A C -1.397 176.006 177.584 -0.302 0.000 1.071 302 A CA -0.584 51.274 52.037 -0.298 0.000 0.838 302 A CB 0.439 19.326 19.000 -0.189 0.000 1.361 302 A HN 0.771 nan 8.150 nan 0.000 0.408 303 W N 2.883 124.110 121.300 -0.121 0.000 2.308 303 W HA 0.313 4.973 4.660 0.000 0.000 0.324 303 W C 1.106 177.548 176.519 -0.128 0.000 1.387 303 W CA 0.304 57.596 57.345 -0.089 0.000 1.250 303 W CB 1.016 30.507 29.460 0.052 0.000 1.257 303 W HN 0.499 nan 8.180 nan 0.000 0.554 304 V N 2.578 122.481 119.914 -0.018 0.000 2.341 304 V HA -0.060 4.060 4.120 0.000 0.000 0.240 304 V C 1.062 177.202 176.094 0.075 0.000 1.035 304 V CA 1.782 63.956 62.300 -0.211 0.000 1.033 304 V CB -0.259 31.161 31.823 -0.672 0.000 0.678 304 V HN 0.616 nan 8.190 nan 0.000 0.464 305 S N -1.310 114.500 115.700 0.183 0.000 2.903 305 S HA 0.363 4.833 4.470 0.000 0.000 0.314 305 S C 0.369 175.163 174.600 0.325 0.000 1.177 305 S CA -0.207 58.121 58.200 0.213 0.000 0.859 305 S CB 1.775 65.078 63.200 0.170 0.000 1.265 305 S HN 0.228 nan 8.310 nan 0.000 0.584 306 E N -0.354 120.003 120.200 0.261 0.000 2.476 306 E HA 0.111 4.461 4.350 0.000 0.000 0.191 306 E C -0.360 176.546 176.600 0.510 0.000 1.064 306 E CA 0.248 56.834 56.400 0.311 0.000 0.866 306 E CB 0.022 29.828 29.700 0.176 0.000 0.952 306 E HN 0.525 nan 8.360 nan 0.000 0.492 307 D N 0.006 120.666 120.400 0.434 0.000 2.527 307 D HA 0.109 4.749 4.640 0.000 0.000 0.224 307 D C -0.336 176.195 176.300 0.386 0.000 1.217 307 D CA 0.000 54.210 54.000 0.351 0.000 0.819 307 D CB 0.729 41.663 40.800 0.224 0.000 1.061 307 D HN -0.021 nan 8.370 nan 0.000 0.515 308 R N 1.015 121.795 120.500 0.467 0.000 2.564 308 R HA 0.598 4.938 4.340 0.000 0.000 0.284 308 R C -1.897 174.486 176.300 0.140 0.000 1.031 308 R CA -0.513 55.755 56.100 0.280 0.000 0.904 308 R CB 1.981 32.330 30.300 0.083 0.000 1.199 308 R HN -0.049 nan 8.270 nan 0.000 0.443 309 I N 1.899 122.382 120.570 -0.145 0.000 2.730 309 I HA 0.413 4.583 4.170 0.000 0.000 0.298 309 I C -1.227 174.571 176.117 -0.533 0.000 1.089 309 I CA -0.558 60.393 61.300 -0.581 0.000 1.041 309 I CB 2.472 39.726 38.000 -1.244 0.000 1.235 309 I HN 0.682 nan 8.210 nan 0.000 0.423 310 S N 7.170 122.510 115.700 -0.599 0.000 2.454 310 S HA 0.735 5.205 4.470 0.000 0.000 0.306 310 S C -1.203 173.046 174.600 -0.585 0.000 1.100 310 S CA -0.558 57.347 58.200 -0.492 0.000 1.087 310 S CB 0.761 63.726 63.200 -0.391 0.000 1.019 310 S HN 0.496 nan 8.310 nan 0.000 0.480 311 L N 4.202 125.116 121.223 -0.516 0.000 2.410 311 L HA 0.559 4.899 4.340 0.000 0.000 0.270 311 L C -0.376 176.195 176.870 -0.498 0.000 0.983 311 L CA -0.658 53.780 54.840 -0.669 0.000 0.822 311 L CB 2.189 43.787 42.059 -0.767 0.000 1.285 311 L HN 0.592 nan 8.230 nan 0.000 0.409 312 Q N 1.974 121.415 119.800 -0.599 0.000 2.316 312 Q HA 0.436 4.776 4.340 0.000 0.000 0.264 312 Q C -1.723 173.979 176.000 -0.496 0.000 0.987 312 Q CA -0.593 54.989 55.803 -0.368 0.000 0.852 312 Q CB 2.674 31.268 28.738 -0.240 0.000 1.287 312 Q HN 0.449 nan 8.270 nan 0.000 0.448 313 W N 2.119 123.378 121.300 -0.069 0.000 2.761 313 W HA 0.615 5.275 4.660 0.000 0.000 0.340 313 W C -0.841 175.716 176.519 0.063 0.000 1.072 313 W CA -0.578 56.775 57.345 0.013 0.000 1.215 313 W CB 1.141 30.592 29.460 -0.016 0.000 1.420 313 W HN 0.377 nan 8.180 nan 0.000 0.519 314 L N 2.190 123.650 121.223 0.394 0.000 2.388 314 L HA 0.590 4.930 4.340 0.000 0.000 0.264 314 L C -0.180 176.915 176.870 0.374 0.000 0.998 314 L CA -1.176 53.860 54.840 0.326 0.000 0.817 314 L CB 1.648 43.860 42.059 0.254 0.000 1.338 314 L HN 0.398 nan 8.230 nan 0.000 0.414 315 R N 1.854 122.533 120.500 0.299 0.000 2.560 315 R HA 0.325 4.665 4.340 0.000 0.000 0.270 315 R C 0.912 177.325 176.300 0.189 0.000 1.074 315 R CA -0.452 55.769 56.100 0.203 0.000 1.140 315 R CB 0.733 31.117 30.300 0.140 0.000 1.073 315 R HN 0.595 nan 8.270 nan 0.000 0.527 316 R N 1.157 121.679 120.500 0.036 0.000 2.117 316 R HA -0.091 4.249 4.340 0.000 0.000 0.243 316 R C 0.394 176.786 176.300 0.154 0.000 1.143 316 R CA 1.285 57.407 56.100 0.036 0.000 0.968 316 R CB 0.147 30.389 30.300 -0.098 0.000 0.863 316 R HN 0.378 nan 8.270 nan 0.000 0.444 317 I N 2.834 123.456 120.570 0.088 0.000 2.269 317 I HA 0.018 4.188 4.170 0.000 0.000 0.293 317 I C 0.206 176.379 176.117 0.094 0.000 1.106 317 I CA 0.230 61.569 61.300 0.065 0.000 1.248 317 I CB 0.963 38.984 38.000 0.035 0.000 1.444 317 I HN 0.303 nan 8.210 nan 0.000 0.497 318 Q N 3.563 123.412 119.800 0.082 0.000 2.401 318 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 318 Q C 1.294 177.356 176.000 0.104 0.000 0.914 318 Q CA 0.198 56.056 55.803 0.092 0.000 1.006 318 Q CB -0.465 28.278 28.738 0.008 0.000 1.041 318 Q HN 0.582 nan 8.270 nan 0.000 0.501 319 N N -0.398 118.366 118.700 0.108 0.000 2.171 319 N HA -0.109 4.631 4.740 0.000 0.000 0.184 319 N C -0.264 175.340 175.510 0.157 0.000 1.021 319 N CA 0.476 53.586 53.050 0.101 0.000 0.854 319 N CB 0.323 38.864 38.487 0.090 0.000 0.994 319 N HN 0.257 nan 8.380 nan 0.000 0.426 320 Y N 0.124 120.443 120.300 0.032 0.000 2.429 320 Y HA 0.428 4.978 4.550 0.000 0.000 0.342 320 Y C -0.872 175.062 175.900 0.056 0.000 1.004 320 Y CA -0.686 57.435 58.100 0.036 0.000 1.075 320 Y CB 1.751 40.225 38.460 0.024 0.000 1.214 320 Y HN -0.282 nan 8.280 nan 0.000 0.455 321 S N 4.139 119.689 115.700 -0.251 0.000 2.546 321 S HA 0.819 5.289 4.470 0.000 0.000 0.274 321 S C -2.212 172.208 174.600 -0.300 0.000 1.121 321 S CA -0.537 57.587 58.200 -0.127 0.000 0.887 321 S CB 1.397 64.565 63.200 -0.053 0.000 1.094 321 S HN 0.537 nan 8.310 nan 0.000 0.474 322 V N 4.984 124.863 119.914 -0.058 0.000 2.638 322 V HA 0.547 4.667 4.120 0.000 0.000 0.306 322 V C -0.492 175.637 176.094 0.058 0.000 1.052 322 V CA -0.594 61.688 62.300 -0.030 0.000 0.885 322 V CB 1.897 33.756 31.823 0.060 0.000 0.999 322 V HN 0.943 nan 8.190 nan 0.000 0.424 323 M N 5.137 124.740 119.600 0.005 0.000 2.036 323 M HA 0.710 5.190 4.480 0.000 0.000 0.337 323 M C -0.199 176.106 176.300 0.007 0.000 1.012 323 M CA -0.466 54.809 55.300 -0.041 0.000 0.962 323 M CB 0.893 33.394 32.600 -0.165 0.000 1.423 323 M HN 0.776 nan 8.290 nan 0.000 0.405 324 A N 5.791 128.628 122.820 0.028 0.000 2.304 324 A HA 0.722 5.042 4.320 0.000 0.000 0.301 324 A C -0.625 176.928 177.584 -0.051 0.000 1.132 324 A CA -0.605 51.440 52.037 0.014 0.000 0.819 324 A CB 0.530 19.549 19.000 0.031 0.000 1.094 324 A HN 0.914 nan 8.150 nan 0.000 0.492 325 I N 1.604 122.167 120.570 -0.011 0.000 2.355 325 I HA 0.268 4.438 4.170 0.000 0.000 0.288 325 I C -0.765 175.341 176.117 -0.018 0.000 0.999 325 I CA -0.318 60.959 61.300 -0.040 0.000 1.163 325 I CB 1.326 39.366 38.000 0.066 0.000 1.316 325 I HN 0.522 nan 8.210 nan 0.000 0.454 326 c N 4.325 122.900 118.600 -0.041 0.000 2.382 326 c HA 0.486 5.056 4.570 0.000 0.000 0.327 326 c C -0.158 174.061 174.090 0.216 0.000 1.250 326 c CA -0.788 55.587 56.329 0.076 0.000 1.707 326 c CB 1.102 43.654 42.510 0.068 0.000 2.272 326 c HN 0.612 nan 8.230 nan 0.000 0.506 327 D N 0.432 120.951 120.400 0.198 0.000 2.248 327 D HA 0.217 4.857 4.640 0.000 0.000 0.246 327 D C -0.992 175.279 176.300 -0.049 0.000 1.027 327 D CA -0.182 53.895 54.000 0.129 0.000 0.853 327 D CB 1.734 42.558 40.800 0.040 0.000 1.243 327 D HN 0.614 nan 8.370 nan 0.000 0.462 328 Y N 1.885 121.868 120.300 -0.527 0.000 2.365 328 Y HA 0.082 4.632 4.550 0.000 0.000 0.340 328 Y C 0.016 175.618 175.900 -0.497 0.000 1.016 328 Y CA -0.503 56.952 58.100 -1.075 0.000 1.196 328 Y CB 0.581 38.166 38.460 -1.459 0.000 1.167 328 Y HN 0.150 nan 8.280 nan 0.000 0.509 329 D N 6.101 125.903 120.400 -0.997 0.000 2.365 329 D HA 0.078 4.718 4.640 0.000 0.000 0.237 329 D C 0.333 176.065 176.300 -0.947 0.000 1.190 329 D CA 0.000 53.584 54.000 -0.693 0.000 0.867 329 D CB 0.988 41.532 40.800 -0.426 0.000 1.050 329 D HN 0.756 nan 8.370 nan 0.000 0.491 330 K N 1.709 121.755 120.400 -0.590 0.000 2.209 330 K HA -0.083 4.237 4.320 0.000 0.000 0.204 330 K C 1.707 178.178 176.600 -0.214 0.000 1.048 330 K CA 0.977 57.057 56.287 -0.345 0.000 0.940 330 K CB 0.196 32.645 32.500 -0.085 0.000 0.729 330 K HN 0.356 nan 8.250 nan 0.000 0.451 331 T N 0.836 115.272 114.554 -0.197 0.000 2.612 331 T HA -0.087 4.263 4.350 0.000 0.000 0.251 331 T C 1.619 176.250 174.700 -0.115 0.000 1.090 331 T CA 1.661 63.690 62.100 -0.118 0.000 1.198 331 T CB -0.288 68.523 68.868 -0.096 0.000 0.878 331 T HN 0.209 nan 8.240 nan 0.000 0.401 332 T N 2.621 117.093 114.554 -0.135 0.000 3.308 332 T HA 0.222 4.572 4.350 0.000 0.000 0.255 332 T C 0.700 175.334 174.700 -0.109 0.000 1.162 332 T CA -0.024 62.017 62.100 -0.098 0.000 1.031 332 T CB -1.024 67.793 68.868 -0.085 0.000 0.973 332 T HN 0.364 nan 8.240 nan 0.000 0.544 333 L N 0.587 121.699 121.223 -0.186 0.000 3.965 333 L HA -0.163 4.177 4.340 0.000 0.000 0.499 333 L C -0.374 176.463 176.870 -0.056 0.000 1.194 333 L CA -0.145 54.612 54.840 -0.139 0.000 0.707 333 L CB -1.841 40.273 42.059 0.092 0.000 1.414 333 L HN 0.155 nan 8.230 nan 0.000 0.802 334 V N -1.213 118.548 119.914 -0.255 0.000 3.114 334 V HA 0.527 4.647 4.120 0.000 0.000 0.308 334 V C -0.554 175.421 176.094 -0.199 0.000 1.168 334 V CA -0.798 61.465 62.300 -0.062 0.000 1.015 334 V CB 2.350 34.154 31.823 -0.032 0.000 1.050 334 V HN 0.289 nan 8.190 nan 0.000 0.433 335 W N 2.055 123.378 121.300 0.039 0.000 2.469 335 W HA 0.590 5.250 4.660 0.000 0.000 0.320 335 W C 0.081 176.585 176.519 -0.024 0.000 1.086 335 W CA -0.311 57.051 57.345 0.029 0.000 1.211 335 W CB 0.945 30.422 29.460 0.029 0.000 1.298 335 W HN 0.390 nan 8.180 nan 0.000 0.525 336 N N 2.148 120.929 118.700 0.136 0.000 2.321 336 N HA 0.395 5.135 4.740 0.000 0.000 0.299 336 N C -1.461 174.090 175.510 0.067 0.000 1.048 336 N CA -0.493 52.594 53.050 0.062 0.000 0.836 336 N CB 1.817 40.301 38.487 -0.004 0.000 1.269 336 N HN 0.271 nan 8.380 nan 0.000 0.486 337 c N 2.619 121.236 118.600 0.029 0.000 2.955 337 c HA 0.297 4.867 4.570 0.000 0.000 0.262 337 c C -1.969 172.111 174.090 -0.017 0.000 1.279 337 c CA -1.438 54.894 56.329 0.006 0.000 1.615 337 c CB -0.493 42.007 42.510 -0.018 0.000 1.755 337 c HN 0.513 nan 8.230 nan 0.000 0.452 338 P HA 0.061 nan 4.420 nan 0.000 0.265 338 P C 1.060 178.341 177.300 -0.032 0.000 1.193 338 P CA 0.691 63.778 63.100 -0.022 0.000 0.765 338 P CB 0.760 32.452 31.700 -0.013 0.000 0.823 339 T N -1.088 113.441 114.554 -0.041 0.000 3.077 339 T HA -0.107 4.243 4.350 0.000 0.000 0.269 339 T C 1.282 175.946 174.700 -0.060 0.000 1.146 339 T CA 1.362 63.433 62.100 -0.050 0.000 1.091 339 T CB -1.183 67.657 68.868 -0.046 0.000 0.892 339 T HN 0.384 nan 8.240 nan 0.000 0.533 340 T N 2.124 116.647 114.554 -0.051 0.000 2.995 340 T HA -0.020 4.330 4.350 0.000 0.000 0.269 340 T C 1.402 176.045 174.700 -0.096 0.000 1.091 340 T CA 0.827 62.892 62.100 -0.058 0.000 1.128 340 T CB -0.177 68.673 68.868 -0.030 0.000 0.891 340 T HN 0.609 nan 8.240 nan 0.000 0.492 341 Q N 0.039 119.791 119.800 -0.081 0.000 2.186 341 Q HA 0.285 4.625 4.340 0.000 0.000 0.241 341 Q C 1.123 177.055 176.000 -0.113 0.000 0.849 341 Q CA -0.225 55.526 55.803 -0.087 0.000 1.053 341 Q CB 0.602 29.362 28.738 0.037 0.000 1.146 341 Q HN 0.299 nan 8.270 nan 0.000 0.475 342 E N 0.696 120.798 120.200 -0.164 0.000 2.006 342 E HA -0.122 4.228 4.350 0.000 0.000 0.192 342 E C -0.502 176.080 176.600 -0.030 0.000 0.993 342 E CA 0.996 57.344 56.400 -0.087 0.000 0.808 342 E CB 0.243 29.902 29.700 -0.067 0.000 0.764 342 E HN 0.273 nan 8.360 nan 0.000 0.449 343 H N -0.813 118.259 119.070 0.002 0.000 3.665 343 H HA -0.147 4.409 4.556 0.000 0.000 0.316 343 H C -0.766 174.515 175.328 -0.079 0.000 0.870 343 H CA 0.858 56.895 56.048 -0.019 0.000 0.947 343 H CB -1.627 28.111 29.762 -0.041 0.000 1.453 343 H HN 0.188 nan 8.280 nan 0.000 0.339 344 I N 2.788 123.373 120.570 0.025 0.000 2.392 344 I HA 0.239 4.409 4.170 0.000 0.000 0.295 344 I C 0.731 176.779 176.117 -0.115 0.000 0.985 344 I CA -0.247 60.969 61.300 -0.140 0.000 1.221 344 I CB 1.936 39.831 38.000 -0.175 0.000 1.366 344 I HN 0.407 nan 8.210 nan 0.000 0.467 345 E N 3.920 123.997 120.200 -0.205 0.000 2.199 345 E HA 0.575 4.925 4.350 0.000 0.000 0.269 345 E C -1.200 175.314 176.600 -0.144 0.000 0.899 345 E CA -0.332 56.005 56.400 -0.106 0.000 0.772 345 E CB 1.996 31.657 29.700 -0.066 0.000 1.155 345 E HN 0.553 nan 8.360 nan 0.000 0.408 346 T N 1.177 115.700 114.554 -0.051 0.000 2.812 346 T HA 0.542 4.892 4.350 0.000 0.000 0.294 346 T C -1.614 173.087 174.700 0.001 0.000 1.159 346 T CA -0.642 61.448 62.100 -0.016 0.000 1.008 346 T CB 1.706 70.586 68.868 0.019 0.000 1.289 346 T HN 0.293 nan 8.240 nan 0.000 0.514 347 S N -0.165 115.538 115.700 0.006 0.000 2.626 347 S HA 0.598 5.068 4.470 0.000 0.000 0.275 347 S C -0.022 174.560 174.600 -0.030 0.000 1.175 347 S CA -0.018 58.167 58.200 -0.025 0.000 0.982 347 S CB 0.841 63.995 63.200 -0.076 0.000 1.093 347 S HN 0.866 nan 8.310 nan 0.000 0.472 348 A N 3.283 126.088 122.820 -0.024 0.000 2.348 348 A HA 0.309 4.629 4.320 0.000 0.000 0.224 348 A C 1.316 178.875 177.584 -0.042 0.000 1.227 348 A CA 0.657 52.681 52.037 -0.021 0.000 0.885 348 A CB -0.217 18.780 19.000 -0.005 0.000 0.933 348 A HN 0.749 nan 8.150 nan 0.000 0.506 349 T N -1.883 112.630 114.554 -0.070 0.000 2.990 349 T HA 0.443 4.793 4.350 0.000 0.000 0.249 349 T C 1.177 175.664 174.700 -0.354 0.000 1.039 349 T CA 0.867 62.920 62.100 -0.079 0.000 1.036 349 T CB 0.689 69.637 68.868 0.134 0.000 0.994 349 T HN 0.592 nan 8.240 nan 0.000 0.489 350 G N 0.558 108.989 108.800 -0.615 0.000 3.262 350 G HA2 0.428 4.388 3.960 0.000 0.000 0.148 350 G HA3 0.428 4.388 3.960 0.000 0.000 0.148 350 G C -1.563 173.140 174.900 -0.327 0.000 1.197 350 G CA -0.277 44.392 45.100 -0.719 0.000 1.469 350 G HN 0.434 nan 8.290 nan 0.000 0.717 351 W N -0.596 120.418 121.300 -0.477 0.000 2.958 351 W HA 0.777 5.437 4.660 0.000 0.000 0.339 351 W C -0.670 175.793 176.519 -0.095 0.000 1.174 351 W CA -1.364 55.836 57.345 -0.242 0.000 1.064 351 W CB 0.746 30.018 29.460 -0.315 0.000 1.471 351 W HN 0.410 nan 8.180 nan 0.000 0.599 352 C N 2.903 122.286 119.300 0.138 0.000 2.307 352 C HA 0.791 5.251 4.460 0.000 0.000 0.340 352 C C 1.020 176.092 174.990 0.137 0.000 1.275 352 C CA 1.070 60.129 59.018 0.068 0.000 1.811 352 C CB -0.518 27.255 27.740 0.056 0.000 2.372 352 C HN 1.186 nan 8.230 nan 0.000 0.531 353 G N 4.553 113.394 108.800 0.068 0.000 2.750 353 G HA2 -0.186 3.774 3.960 0.000 0.000 0.228 353 G HA3 -0.186 3.774 3.960 0.000 0.000 0.228 353 G C 0.540 175.554 174.900 0.189 0.000 1.367 353 G CA -0.134 45.035 45.100 0.115 0.000 0.871 353 G HN 0.739 nan 8.290 nan 0.000 0.560 354 R N -1.258 119.384 120.500 0.237 0.000 2.055 354 R HA 0.164 4.504 4.340 0.000 0.000 0.226 354 R C 1.886 178.343 176.300 0.262 0.000 1.135 354 R CA 1.994 58.265 56.100 0.285 0.000 0.959 354 R CB -0.081 30.434 30.300 0.358 0.000 0.854 354 R HN 0.441 nan 8.270 nan 0.000 0.431 355 F N -0.479 119.599 119.950 0.214 0.000 2.798 355 F HA 0.271 4.798 4.527 0.000 0.000 0.328 355 F C -0.104 175.713 175.800 0.028 0.000 1.098 355 F CA -0.441 57.630 58.000 0.119 0.000 1.172 355 F CB 0.774 39.848 39.000 0.123 0.000 1.072 355 F HN -0.069 nan 8.300 nan 0.000 0.555 356 R N -2.145 118.492 120.500 0.229 0.000 3.429 356 R HA 0.264 4.604 4.340 0.000 0.000 0.277 356 R C -3.403 172.964 176.300 0.112 0.000 0.978 356 R CA -1.606 54.556 56.100 0.104 0.000 0.891 356 R CB -0.555 29.761 30.300 0.027 0.000 1.299 356 R HN -0.348 nan 8.270 nan 0.000 0.541 357 P HA -0.018 nan 4.420 nan 0.000 0.264 357 P C -0.438 176.900 177.300 0.062 0.000 1.173 357 P CA 0.661 63.789 63.100 0.047 0.000 0.761 357 P CB 0.461 32.160 31.700 -0.001 0.000 0.794 358 A N 2.589 125.458 122.820 0.081 0.000 2.366 358 A HA 0.157 4.477 4.320 0.000 0.000 0.249 358 A C 0.378 178.005 177.584 0.071 0.000 1.084 358 A CA -0.289 51.814 52.037 0.111 0.000 0.794 358 A CB -0.074 19.013 19.000 0.144 0.000 1.034 358 A HN 0.589 nan 8.150 nan 0.000 0.491 359 E N 1.294 121.549 120.200 0.091 0.000 2.331 359 E HA 0.348 4.698 4.350 0.000 0.000 0.272 359 E C -2.289 174.290 176.600 -0.035 0.000 1.036 359 E CA -1.904 54.496 56.400 0.000 0.000 0.864 359 E CB 0.765 30.457 29.700 -0.014 0.000 1.035 359 E HN 0.470 nan 8.360 nan 0.000 0.408 360 P HA 0.130 nan 4.420 nan 0.000 0.281 360 P C -1.201 175.995 177.300 -0.174 0.000 1.249 360 P CA -0.139 62.896 63.100 -0.108 0.000 0.810 360 P CB 0.805 32.285 31.700 -0.367 0.000 1.008 361 H N 1.956 121.130 119.070 0.173 0.000 2.887 361 H HA 0.291 4.847 4.556 0.000 0.000 0.300 361 H C -0.307 175.188 175.328 0.279 0.000 1.038 361 H CA -0.313 55.896 56.048 0.268 0.000 1.352 361 H CB 0.252 30.170 29.762 0.260 0.000 1.473 361 H HN 0.289 nan 8.280 nan 0.000 0.503 362 F N 1.793 121.929 119.950 0.309 0.000 2.382 362 F HA 0.077 4.604 4.527 0.000 0.000 0.331 362 F C 1.721 177.707 175.800 0.310 0.000 1.121 362 F CA -0.333 57.855 58.000 0.313 0.000 1.183 362 F CB 0.943 40.062 39.000 0.199 0.000 1.207 362 F HN 0.356 nan 8.300 nan 0.000 0.555 363 T N -1.803 113.022 114.554 0.452 0.000 2.766 363 T HA 0.054 4.404 4.350 0.000 0.000 0.295 363 T C 1.411 176.297 174.700 0.311 0.000 1.024 363 T CA -0.160 62.151 62.100 0.352 0.000 1.018 363 T CB 1.010 70.052 68.868 0.290 0.000 1.002 363 T HN 0.599 nan 8.240 nan 0.000 0.532 364 S N 0.732 116.572 115.700 0.234 0.000 2.374 364 S HA -0.174 4.296 4.470 0.000 0.000 0.227 364 S C 1.396 176.108 174.600 0.188 0.000 1.037 364 S CA 1.789 60.105 58.200 0.193 0.000 1.024 364 S CB -0.959 62.329 63.200 0.147 0.000 0.861 364 S HN 0.920 nan 8.310 nan 0.000 0.456 365 D N -0.618 119.894 120.400 0.188 0.000 2.460 365 D HA 0.201 4.841 4.640 0.000 0.000 0.229 365 D C 1.087 177.515 176.300 0.213 0.000 1.170 365 D CA 0.578 54.681 54.000 0.172 0.000 0.827 365 D CB -0.862 40.022 40.800 0.140 0.000 0.973 365 D HN 0.446 nan 8.370 nan 0.000 0.496 366 G N 1.600 110.574 108.800 0.290 0.000 2.420 366 G HA2 -0.413 3.547 3.960 0.000 0.000 0.305 366 G HA3 -0.413 3.547 3.960 0.000 0.000 0.305 366 G C 1.127 176.294 174.900 0.445 0.000 0.971 366 G CA 1.181 46.537 45.100 0.427 0.000 0.843 366 G HN 0.547 nan 8.290 nan 0.000 0.512 367 S N -1.934 113.959 115.700 0.321 0.000 2.425 367 S HA 0.401 4.871 4.470 0.000 0.000 0.225 367 S C 1.097 175.837 174.600 0.232 0.000 1.024 367 S CA 1.083 59.429 58.200 0.243 0.000 0.951 367 S CB 0.363 63.658 63.200 0.159 0.000 0.796 367 S HN 0.806 nan 8.310 nan 0.000 0.498 368 S N 0.543 116.366 115.700 0.205 0.000 2.661 368 S HA 0.823 5.293 4.470 0.000 0.000 0.285 368 S C -1.083 173.477 174.600 -0.066 0.000 1.138 368 S CA -0.981 57.215 58.200 -0.006 0.000 0.855 368 S CB 1.639 64.754 63.200 -0.142 0.000 1.136 368 S HN 0.610 nan 8.310 nan 0.000 0.484 369 F N -1.236 118.430 119.950 -0.473 0.000 2.641 369 F HA 0.756 5.283 4.527 0.000 0.000 0.308 369 F C -2.153 173.405 175.800 -0.403 0.000 1.105 369 F CA -1.339 56.307 58.000 -0.590 0.000 0.964 369 F CB 0.582 38.703 39.000 -1.466 0.000 1.294 369 F HN 0.473 nan 8.300 nan 0.000 0.442 370 Y N 1.764 122.125 120.300 0.102 0.000 2.360 370 Y HA 0.676 5.226 4.550 0.000 0.000 0.337 370 Y C -0.112 175.940 175.900 0.253 0.000 1.039 370 Y CA -0.852 57.301 58.100 0.088 0.000 1.109 370 Y CB 1.968 40.450 38.460 0.037 0.000 1.201 370 Y HN 0.740 nan 8.280 nan 0.000 0.458 371 K N 3.313 123.927 120.400 0.356 0.000 2.525 371 K HA 0.506 4.826 4.320 0.000 0.000 0.254 371 K C -1.566 175.170 176.600 0.227 0.000 0.934 371 K CA -0.583 55.911 56.287 0.345 0.000 0.802 371 K CB 1.557 34.276 32.500 0.365 0.000 1.295 371 K HN 0.725 nan 8.250 nan 0.000 0.433 372 I N 4.922 125.608 120.570 0.193 0.000 2.452 372 I HA 0.138 4.308 4.170 0.000 0.000 0.287 372 I C 0.110 176.312 176.117 0.141 0.000 1.079 372 I CA -0.283 61.102 61.300 0.141 0.000 1.387 372 I CB 0.753 38.835 38.000 0.136 0.000 1.404 372 I HN 0.369 nan 8.210 nan 0.000 0.522 373 V N 1.868 121.873 119.914 0.152 0.000 3.188 373 V HA 0.522 4.642 4.120 0.000 0.000 0.305 373 V C -0.182 176.050 176.094 0.229 0.000 1.232 373 V CA -0.794 61.604 62.300 0.163 0.000 1.043 373 V CB 1.822 33.743 31.823 0.164 0.000 1.068 373 V HN 0.581 nan 8.190 nan 0.000 0.439 374 S N 2.270 118.044 115.700 0.124 0.000 2.549 374 S HA 0.385 4.856 4.470 0.000 0.000 0.279 374 S C -0.253 174.406 174.600 0.098 0.000 1.321 374 S CA 0.001 58.214 58.200 0.021 0.000 1.054 374 S CB 0.367 63.508 63.200 -0.099 0.000 0.899 374 S HN 1.114 nan 8.310 nan 0.000 0.497 375 D N 1.544 121.816 120.400 -0.213 0.000 2.478 375 D HA 0.228 4.868 4.640 0.000 0.000 0.269 375 D C 0.993 177.128 176.300 -0.276 0.000 1.232 375 D CA -0.792 52.829 54.000 -0.632 0.000 1.059 375 D CB 0.354 40.437 40.800 -1.195 0.000 1.104 375 D HN 0.352 nan 8.370 nan 0.000 0.566 376 K N -1.005 119.235 120.400 -0.266 0.000 2.173 376 K HA -0.183 4.137 4.320 0.000 0.000 0.207 376 K C 0.434 176.974 176.600 -0.099 0.000 1.046 376 K CA 1.585 57.795 56.287 -0.128 0.000 0.929 376 K CB -0.078 32.355 32.500 -0.111 0.000 0.720 376 K HN 0.380 nan 8.250 nan 0.000 0.453 377 D N -1.129 119.213 120.400 -0.096 0.000 2.340 377 D HA 0.052 4.692 4.640 0.000 0.000 0.220 377 D C 0.677 176.990 176.300 0.021 0.000 1.039 377 D CA 0.896 54.901 54.000 0.008 0.000 0.866 377 D CB 0.685 41.522 40.800 0.062 0.000 0.913 377 D HN 0.465 nan 8.370 nan 0.000 0.523 378 G N 0.964 109.698 108.800 -0.109 0.000 2.149 378 G HA2 -0.280 3.680 3.960 0.000 0.000 0.235 378 G HA3 -0.280 3.680 3.960 0.000 0.000 0.235 378 G C -0.444 174.164 174.900 -0.487 0.000 1.018 378 G CA -0.366 44.567 45.100 -0.279 0.000 0.728 378 G HN 0.273 nan 8.290 nan 0.000 0.508 379 Y N -0.335 119.745 120.300 -0.365 0.000 2.328 379 Y HA 0.592 5.142 4.550 0.000 0.000 0.337 379 Y C 0.659 176.212 175.900 -0.579 0.000 0.966 379 Y CA -1.261 56.533 58.100 -0.510 0.000 1.136 379 Y CB 1.581 39.636 38.460 -0.675 0.000 1.170 379 Y HN 0.005 nan 8.280 nan 0.000 0.470 380 K N 3.521 123.699 120.400 -0.370 0.000 2.361 380 K HA 0.129 4.449 4.320 0.000 0.000 0.283 380 K C -0.982 175.433 176.600 -0.309 0.000 1.078 380 K CA 0.649 56.803 56.287 -0.220 0.000 1.041 380 K CB -0.402 32.033 32.500 -0.107 0.000 0.932 380 K HN 0.669 nan 8.250 nan 0.000 0.462 381 H N 0.833 119.913 119.070 0.017 0.000 2.908 381 H HA 0.484 5.040 4.556 0.000 0.000 0.350 381 H C -0.358 175.007 175.328 0.061 0.000 1.217 381 H CA -1.249 54.777 56.048 -0.038 0.000 1.168 381 H CB 1.516 31.231 29.762 -0.077 0.000 1.891 381 H HN 0.291 nan 8.280 nan 0.000 0.566 382 I N 2.477 123.103 120.570 0.093 0.000 2.342 382 I HA 0.228 4.398 4.170 0.000 0.000 0.291 382 I C -0.181 175.853 176.117 -0.138 0.000 1.010 382 I CA -0.295 60.987 61.300 -0.030 0.000 1.308 382 I CB 0.198 38.120 38.000 -0.130 0.000 1.400 382 I HN 0.478 nan 8.210 nan 0.000 0.488 383 c N 3.162 121.566 118.600 -0.326 0.000 2.898 383 c HA 0.548 5.118 4.570 0.000 0.000 0.304 383 c C -0.428 173.268 174.090 -0.656 0.000 1.237 383 c CA -0.973 54.981 56.329 -0.625 0.000 1.529 383 c CB 1.403 43.105 42.510 -1.348 0.000 2.021 383 c HN 0.748 nan 8.230 nan 0.000 0.474 384 Q N 0.396 119.767 119.800 -0.714 0.000 2.259 384 Q HA 0.674 5.014 4.340 0.000 0.000 0.246 384 Q C -1.444 173.928 176.000 -1.047 0.000 0.920 384 Q CA 0.100 55.395 55.803 -0.847 0.000 0.895 384 Q CB 1.135 29.499 28.738 -0.622 0.000 1.220 384 Q HN 0.712 nan 8.270 nan 0.000 0.439 385 F N 0.331 119.703 119.950 -0.963 0.000 2.588 385 F HA 0.339 4.866 4.527 0.000 0.000 0.314 385 F C -0.090 175.245 175.800 -0.776 0.000 1.069 385 F CA -1.025 56.366 58.000 -1.016 0.000 0.931 385 F CB 1.916 39.706 39.000 -2.016 0.000 1.260 385 F HN 0.247 nan 8.300 nan 0.000 0.465 386 Q N 1.569 121.277 119.800 -0.153 0.000 2.306 386 Q HA 0.233 4.573 4.340 0.000 0.000 0.265 386 Q C 0.965 177.113 176.000 0.247 0.000 1.022 386 Q CA -0.600 55.206 55.803 0.005 0.000 0.853 386 Q CB 2.110 30.867 28.738 0.032 0.000 1.327 386 Q HN 0.744 nan 8.270 nan 0.000 0.449 387 K N 1.881 122.471 120.400 0.317 0.000 2.049 387 K HA -0.190 4.130 4.320 0.000 0.000 0.219 387 K C -0.385 176.465 176.600 0.417 0.000 1.056 387 K CA 1.640 58.207 56.287 0.465 0.000 0.946 387 K CB 0.129 32.825 32.500 0.326 0.000 0.723 387 K HN 0.556 nan 8.250 nan 0.000 0.453 388 D N 1.411 121.937 120.400 0.210 0.000 2.351 388 D HA 0.008 4.648 4.640 0.000 0.000 0.251 388 D C 0.042 176.351 176.300 0.016 0.000 1.137 388 D CA 0.054 54.094 54.000 0.066 0.000 0.879 388 D CB 1.058 41.883 40.800 0.043 0.000 1.181 388 D HN 0.246 nan 8.370 nan 0.000 0.448 389 R N 1.826 122.186 120.500 -0.234 0.000 2.738 389 R HA 0.122 4.462 4.340 0.000 0.000 0.268 389 R C -0.399 175.886 176.300 -0.024 0.000 1.062 389 R CA 0.095 56.071 56.100 -0.207 0.000 1.158 389 R CB 0.575 30.659 30.300 -0.359 0.000 1.046 389 R HN 0.268 nan 8.270 nan 0.000 0.493 390 K N 3.318 123.740 120.400 0.036 0.000 2.397 390 K HA 0.321 4.641 4.320 0.000 0.000 0.253 390 K C -2.432 174.180 176.600 0.019 0.000 0.932 390 K CA -2.109 54.189 56.287 0.019 0.000 0.795 390 K CB 2.260 34.770 32.500 0.017 0.000 1.159 390 K HN 0.536 nan 8.250 nan 0.000 0.424 391 P HA -0.129 nan 4.420 nan 0.000 0.247 391 P C -0.953 176.354 177.300 0.013 0.000 1.147 391 P CA 0.802 63.907 63.100 0.009 0.000 0.964 391 P CB -0.057 31.644 31.700 0.003 0.000 0.944 392 E N 2.272 122.486 120.200 0.023 0.000 2.389 392 E HA -0.232 4.118 4.350 0.000 0.000 0.243 392 E C -0.301 176.305 176.600 0.011 0.000 1.154 392 E CA 0.523 56.936 56.400 0.022 0.000 0.723 392 E CB -1.669 28.042 29.700 0.018 0.000 1.261 392 E HN 0.671 nan 8.360 nan 0.000 0.390 393 Q N -2.031 117.772 119.800 0.005 0.000 1.888 393 Q HA 0.062 4.402 4.340 0.000 0.000 0.197 393 Q C 0.786 176.754 176.000 -0.053 0.000 0.822 393 Q CA 0.192 55.979 55.803 -0.027 0.000 0.909 393 Q CB 0.539 29.261 28.738 -0.026 0.000 1.268 393 Q HN 0.155 nan 8.270 nan 0.000 0.388 394 V N -1.402 118.508 119.914 -0.006 0.000 2.867 394 V HA -0.117 4.003 4.120 0.000 0.000 0.260 394 V C 1.060 176.985 176.094 -0.282 0.000 1.099 394 V CA 0.783 63.115 62.300 0.052 0.000 1.122 394 V CB -0.336 31.688 31.823 0.334 0.000 0.708 394 V HN 0.500 nan 8.190 nan 0.000 0.490 395 c N -0.738 117.597 118.600 -0.442 0.000 2.595 395 c HA 0.732 5.302 4.570 0.000 0.000 0.338 395 c C 0.413 174.189 174.090 -0.523 0.000 1.219 395 c CA -0.115 55.717 56.329 -0.829 0.000 1.811 395 c CB 1.904 43.810 42.510 -1.007 0.000 2.313 395 c HN 0.451 nan 8.230 nan 0.000 0.499 396 T N 2.649 116.846 114.554 -0.595 0.000 3.187 396 T HA 0.335 4.685 4.350 0.000 0.000 0.328 396 T C -0.815 173.689 174.700 -0.326 0.000 0.951 396 T CA -0.055 61.861 62.100 -0.307 0.000 1.049 396 T CB -0.033 68.707 68.868 -0.213 0.000 1.015 396 T HN 0.380 nan 8.240 nan 0.000 0.461 397 F N 2.608 122.443 119.950 -0.191 0.000 2.578 397 F HA 0.235 4.763 4.527 0.000 0.000 0.376 397 F C 1.582 177.280 175.800 -0.169 0.000 1.085 397 F CA -0.179 57.712 58.000 -0.183 0.000 1.260 397 F CB 0.431 39.336 39.000 -0.158 0.000 1.095 397 F HN 0.546 nan 8.300 nan 0.000 0.573 398 I N 1.655 122.183 120.570 -0.071 0.000 3.956 398 I HA 0.076 4.246 4.170 0.000 0.000 0.333 398 I C 0.019 176.014 176.117 -0.203 0.000 1.302 398 I CA 0.507 61.681 61.300 -0.210 0.000 1.122 398 I CB -0.084 37.696 38.000 -0.367 0.000 1.013 398 I HN 0.503 nan 8.210 nan 0.000 0.405 399 T N 1.059 115.489 114.554 -0.206 0.000 2.956 399 T HA 0.486 4.836 4.350 0.000 0.000 0.312 399 T C -0.703 173.522 174.700 -0.792 0.000 1.151 399 T CA -0.701 61.128 62.100 -0.452 0.000 1.024 399 T CB 2.569 71.071 68.868 -0.610 0.000 1.140 399 T HN -0.029 nan 8.240 nan 0.000 0.473 400 K N 0.615 120.550 120.400 -0.775 0.000 2.480 400 K HA 0.877 5.197 4.320 0.000 0.000 0.258 400 K C -0.437 175.848 176.600 -0.525 0.000 0.990 400 K CA -1.101 54.796 56.287 -0.650 0.000 0.857 400 K CB 2.539 34.884 32.500 -0.259 0.000 1.384 400 K HN 0.990 nan 8.250 nan 0.000 0.446 401 G N -0.424 108.194 108.800 -0.303 0.000 2.335 401 G HA2 0.283 4.243 3.960 0.000 0.000 0.592 401 G HA3 0.283 4.243 3.960 0.000 0.000 0.592 401 G C -1.437 173.101 174.900 -0.603 0.000 1.442 401 G CA -0.492 44.479 45.100 -0.215 0.000 0.976 401 G HN 0.590 nan 8.290 nan 0.000 0.652 402 A N 1.563 124.173 122.820 -0.350 0.000 3.168 402 A HA 0.665 4.985 4.320 0.000 0.000 0.260 402 A C 0.266 177.863 177.584 0.022 0.000 1.598 402 A CA 0.522 52.149 52.037 -0.685 0.000 1.285 402 A CB -0.977 17.839 19.000 -0.307 0.000 1.149 402 A HN 1.796 nan 8.150 nan 0.000 0.630 403 W N -1.010 120.258 121.300 -0.053 0.000 2.937 403 W HA 0.659 5.319 4.660 0.000 0.000 0.360 403 W C -1.150 175.458 176.519 0.148 0.000 1.215 403 W CA -0.797 56.617 57.345 0.116 0.000 1.183 403 W CB 0.301 29.795 29.460 0.057 0.000 1.458 403 W HN 0.231 nan 8.180 nan 0.000 0.574 404 E N 0.533 120.897 120.200 0.274 0.000 2.369 404 E HA 0.470 4.820 4.350 0.000 0.000 0.270 404 E C -1.272 175.461 176.600 0.221 0.000 0.909 404 E CA -1.173 55.220 56.400 -0.011 0.000 0.775 404 E CB 3.370 33.093 29.700 0.038 0.000 1.270 404 E HN 0.162 nan 8.360 nan 0.000 0.445 405 V N 3.807 123.772 119.914 0.085 0.000 2.432 405 V HA 0.020 4.141 4.120 0.000 0.000 0.271 405 V C 1.199 177.409 176.094 0.193 0.000 1.046 405 V CA -0.117 62.296 62.300 0.188 0.000 0.945 405 V CB 0.617 32.445 31.823 0.009 0.000 0.992 405 V HN 0.685 nan 8.190 nan 0.000 0.471 406 I N 3.382 124.085 120.570 0.222 0.000 2.233 406 I HA -0.007 4.164 4.170 0.000 0.000 0.243 406 I C 1.055 177.286 176.117 0.189 0.000 1.093 406 I CA 1.279 62.685 61.300 0.177 0.000 1.380 406 I CB -0.572 37.465 38.000 0.062 0.000 1.067 406 I HN 0.826 nan 8.210 nan 0.000 0.413 407 S N -0.490 115.326 115.700 0.193 0.000 2.552 407 S HA 0.528 4.998 4.470 0.000 0.000 0.272 407 S C -0.811 173.891 174.600 0.169 0.000 1.150 407 S CA -0.849 57.459 58.200 0.180 0.000 0.849 407 S CB 1.517 64.817 63.200 0.168 0.000 1.113 407 S HN 0.053 nan 8.310 nan 0.000 0.458 408 I N 2.953 123.579 120.570 0.092 0.000 2.301 408 I HA 0.246 4.416 4.170 0.000 0.000 0.292 408 I C 0.987 177.075 176.117 -0.049 0.000 1.046 408 I CA -0.440 60.828 61.300 -0.052 0.000 1.282 408 I CB 0.867 38.621 38.000 -0.410 0.000 1.409 408 I HN 0.733 nan 8.210 nan 0.000 0.484 409 E N 5.062 125.297 120.200 0.058 0.000 2.170 409 E HA 0.162 4.512 4.350 0.000 0.000 0.191 409 E C 0.443 177.085 176.600 0.071 0.000 0.981 409 E CA 0.345 56.792 56.400 0.078 0.000 0.830 409 E CB 0.398 30.139 29.700 0.069 0.000 0.775 409 E HN 0.723 nan 8.360 nan 0.000 0.470 410 A N 0.258 123.128 122.820 0.082 0.000 2.599 410 A HA 0.526 4.846 4.320 0.000 0.000 0.294 410 A C -2.001 175.681 177.584 0.163 0.000 1.055 410 A CA -0.715 51.391 52.037 0.114 0.000 0.683 410 A CB 1.053 20.070 19.000 0.028 0.000 1.278 410 A HN 0.041 nan 8.150 nan 0.000 0.412 411 L N 1.495 122.817 121.223 0.165 0.000 2.427 411 L HA 0.641 4.981 4.340 0.000 0.000 0.264 411 L C -0.040 176.928 176.870 0.163 0.000 0.989 411 L CA 0.374 55.296 54.840 0.136 0.000 0.865 411 L CB 1.387 43.519 42.059 0.122 0.000 1.209 411 L HN 0.769 nan 8.230 nan 0.000 0.430 412 T N 1.023 115.689 114.554 0.188 0.000 2.788 412 T HA 0.196 4.546 4.350 0.000 0.000 0.280 412 T C 1.361 176.115 174.700 0.090 0.000 0.984 412 T CA 0.270 62.464 62.100 0.156 0.000 0.972 412 T CB 1.233 70.231 68.868 0.216 0.000 1.039 412 T HN 0.717 nan 8.240 nan 0.000 0.530 413 S N 0.087 115.820 115.700 0.055 0.000 2.507 413 S HA -0.101 4.369 4.470 0.000 0.000 0.235 413 S C 0.742 175.331 174.600 -0.019 0.000 0.988 413 S CA 1.353 59.575 58.200 0.037 0.000 0.944 413 S CB -0.420 62.796 63.200 0.027 0.000 0.762 413 S HN 0.855 nan 8.310 nan 0.000 0.526 414 D N -1.962 118.374 120.400 -0.106 0.000 2.401 414 D HA 0.210 4.850 4.640 0.000 0.000 0.269 414 D C -0.138 176.005 176.300 -0.262 0.000 1.117 414 D CA -0.316 53.539 54.000 -0.241 0.000 0.829 414 D CB -0.103 40.433 40.800 -0.440 0.000 1.350 414 D HN 0.524 nan 8.370 nan 0.000 0.529 415 Y N -0.025 120.256 120.300 -0.031 0.000 2.536 415 Y HA 0.574 5.124 4.550 0.000 0.000 0.347 415 Y C -1.235 174.581 175.900 -0.139 0.000 1.000 415 Y CA -1.755 56.264 58.100 -0.135 0.000 1.051 415 Y CB 2.582 40.897 38.460 -0.242 0.000 1.259 415 Y HN -0.164 nan 8.280 nan 0.000 0.468 416 L N 3.273 124.475 121.223 -0.036 0.000 2.377 416 L HA 0.472 4.812 4.340 0.000 0.000 0.270 416 L C -1.892 174.941 176.870 -0.061 0.000 0.991 416 L CA -0.759 54.035 54.840 -0.076 0.000 0.851 416 L CB 0.174 42.090 42.059 -0.239 0.000 1.218 416 L HN 0.399 nan 8.230 nan 0.000 0.420 417 Y N 5.550 125.842 120.300 -0.014 0.000 2.327 417 Y HA 0.510 5.060 4.550 0.000 0.000 0.336 417 Y C -0.138 175.777 175.900 0.026 0.000 1.035 417 Y CA 0.043 58.104 58.100 -0.065 0.000 1.165 417 Y CB 0.741 39.129 38.460 -0.120 0.000 1.181 417 Y HN 0.621 nan 8.280 nan 0.000 0.494 418 Y N 0.444 120.787 120.300 0.072 0.000 2.669 418 Y HA 0.858 5.408 4.550 0.000 0.000 0.335 418 Y C -1.658 174.302 175.900 0.100 0.000 1.116 418 Y CA -2.140 55.997 58.100 0.061 0.000 1.081 418 Y CB 1.309 39.794 38.460 0.040 0.000 1.297 418 Y HN 0.368 nan 8.280 nan 0.000 0.484 419 I N 2.567 123.330 120.570 0.322 0.000 2.498 419 I HA 0.563 4.733 4.170 0.000 0.000 0.290 419 I C -0.739 175.585 176.117 0.345 0.000 1.032 419 I CA -0.540 60.880 61.300 0.200 0.000 1.073 419 I CB 2.178 40.234 38.000 0.094 0.000 1.251 419 I HN 0.902 nan 8.210 nan 0.000 0.426 420 S N 3.508 119.386 115.700 0.298 0.000 2.697 420 S HA 0.485 4.955 4.470 0.000 0.000 0.289 420 S C -0.536 174.164 174.600 0.167 0.000 1.149 420 S CA -0.798 57.586 58.200 0.307 0.000 0.850 420 S CB 1.874 65.355 63.200 0.468 0.000 1.151 420 S HN 0.656 nan 8.310 nan 0.000 0.491 421 N N -0.558 118.255 118.700 0.190 0.000 2.467 421 N HA 0.157 4.897 4.740 0.000 0.000 0.278 421 N C 0.326 175.885 175.510 0.082 0.000 1.306 421 N CA -0.390 52.715 53.050 0.092 0.000 0.905 421 N CB 0.391 38.906 38.487 0.047 0.000 1.236 421 N HN 0.847 nan 8.380 nan 0.000 0.509 422 E N -0.093 120.054 120.200 -0.088 0.000 2.051 422 E HA -0.143 4.207 4.350 0.000 0.000 0.189 422 E C -0.272 176.204 176.600 -0.207 0.000 0.979 422 E CA 0.049 56.143 56.400 -0.510 0.000 0.803 422 E CB -0.057 28.677 29.700 -1.610 0.000 0.761 422 E HN 0.303 nan 8.360 nan 0.000 0.451 423 Y N 2.187 122.394 120.300 -0.155 0.000 2.904 423 Y HA -0.166 4.384 4.550 0.000 0.000 0.336 423 Y C 0.461 176.334 175.900 -0.045 0.000 1.263 423 Y CA 0.782 58.846 58.100 -0.059 0.000 1.547 423 Y CB 0.198 38.663 38.460 0.008 0.000 1.272 423 Y HN 0.128 nan 8.280 nan 0.000 0.596 424 K N 3.215 123.341 120.400 -0.457 0.000 2.971 424 K HA -0.353 3.967 4.320 0.000 0.000 0.265 424 K C 0.144 176.677 176.600 -0.112 0.000 1.052 424 K CA 1.267 57.316 56.287 -0.395 0.000 0.780 424 K CB -0.929 31.221 32.500 -0.583 0.000 1.214 424 K HN 0.921 nan 8.250 nan 0.000 0.478 425 E N -1.799 118.363 120.200 -0.063 0.000 2.660 425 E HA -0.257 4.093 4.350 0.000 0.000 0.260 425 E C -0.485 176.123 176.600 0.012 0.000 1.122 425 E CA 1.079 57.490 56.400 0.019 0.000 0.755 425 E CB -1.012 28.731 29.700 0.072 0.000 1.345 425 E HN 0.464 nan 8.360 nan 0.000 0.421 426 M N 1.088 120.612 119.600 -0.128 0.000 2.111 426 M HA 0.129 4.609 4.480 0.000 0.000 0.351 426 M C -1.402 174.658 176.300 -0.401 0.000 1.214 426 M CA -1.884 53.161 55.300 -0.426 0.000 1.120 426 M CB 0.761 33.166 32.600 -0.325 0.000 1.443 426 M HN -0.155 nan 8.290 nan 0.000 0.429 427 P HA -0.079 nan 4.420 nan 0.000 0.222 427 P C 1.019 178.181 177.300 -0.230 0.000 1.147 427 P CA 1.179 64.124 63.100 -0.260 0.000 0.790 427 P CB 0.133 31.702 31.700 -0.218 0.000 0.780 428 G N -0.505 108.067 108.800 -0.381 0.000 2.985 428 G HA2 0.240 4.200 3.960 0.000 0.000 0.209 428 G HA3 0.240 4.200 3.960 0.000 0.000 0.209 428 G C 0.739 175.663 174.900 0.040 0.000 1.165 428 G CA 0.155 45.173 45.100 -0.136 0.000 0.776 428 G HN 0.440 nan 8.290 nan 0.000 0.541 429 G N -0.350 108.421 108.800 -0.049 0.000 2.471 429 G HA2 0.622 4.582 3.960 0.000 0.000 0.332 429 G HA3 0.622 4.582 3.960 0.000 0.000 0.332 429 G C -0.906 173.921 174.900 -0.121 0.000 1.176 429 G CA -0.764 44.354 45.100 0.029 0.000 0.949 429 G HN 0.040 nan 8.290 nan 0.000 0.488 430 R N 1.143 121.514 120.500 -0.216 0.000 2.502 430 R HA 0.409 4.749 4.340 0.000 0.000 0.298 430 R C -1.088 175.202 176.300 -0.017 0.000 1.018 430 R CA -0.801 55.130 56.100 -0.282 0.000 0.899 430 R CB 1.539 31.372 30.300 -0.778 0.000 1.181 430 R HN 0.577 nan 8.270 nan 0.000 0.444 431 N N 1.804 120.540 118.700 0.060 0.000 2.265 431 N HA 0.331 5.071 4.740 0.000 0.000 0.300 431 N C -1.040 174.429 175.510 -0.069 0.000 1.148 431 N CA -0.858 52.200 53.050 0.014 0.000 0.772 431 N CB 2.748 41.209 38.487 -0.044 0.000 1.434 431 N HN 0.232 nan 8.380 nan 0.000 0.481 432 L N 2.345 123.370 121.223 -0.329 0.000 2.281 432 L HA 0.421 4.761 4.340 0.000 0.000 0.285 432 L C -1.198 175.303 176.870 -0.615 0.000 1.074 432 L CA 0.114 54.727 54.840 -0.379 0.000 0.817 432 L CB -0.279 41.504 42.059 -0.460 0.000 1.168 432 L HN 0.411 nan 8.230 nan 0.000 0.434 433 Y N 3.949 123.841 120.300 -0.680 0.000 2.699 433 Y HA 0.683 5.233 4.550 0.000 0.000 0.326 433 Y C -0.210 175.266 175.900 -0.707 0.000 1.141 433 Y CA -0.777 56.835 58.100 -0.813 0.000 1.246 433 Y CB 1.236 38.906 38.460 -1.317 0.000 1.426 433 Y HN 0.562 nan 8.280 nan 0.000 0.559 434 K N 1.423 121.570 120.400 -0.421 0.000 2.587 434 K HA 0.498 4.818 4.320 0.000 0.000 0.256 434 K C -2.305 174.117 176.600 -0.296 0.000 0.974 434 K CA -0.171 55.809 56.287 -0.512 0.000 0.855 434 K CB 0.998 33.041 32.500 -0.762 0.000 1.292 434 K HN 0.659 nan 8.250 nan 0.000 0.444 435 I N 2.967 123.435 120.570 -0.170 0.000 2.530 435 I HA 0.265 4.436 4.170 0.000 0.000 0.297 435 I C -0.328 175.826 176.117 0.062 0.000 1.011 435 I CA -1.040 60.247 61.300 -0.023 0.000 1.107 435 I CB 2.158 40.186 38.000 0.047 0.000 1.285 435 I HN 0.623 nan 8.210 nan 0.000 0.436 436 Q N 4.568 124.479 119.800 0.184 0.000 2.274 436 Q HA 0.322 4.662 4.340 0.000 0.000 0.256 436 Q C 0.452 176.593 176.000 0.236 0.000 0.927 436 Q CA -0.452 55.554 55.803 0.339 0.000 0.939 436 Q CB 1.441 30.371 28.738 0.320 0.000 1.201 436 Q HN 0.672 nan 8.270 nan 0.000 0.426 437 L N 2.406 123.730 121.223 0.168 0.000 1.989 437 L HA -0.228 4.112 4.340 0.000 0.000 0.211 437 L C 2.456 179.436 176.870 0.184 0.000 1.071 437 L CA 1.961 56.927 54.840 0.210 0.000 0.749 437 L CB -1.031 41.105 42.059 0.127 0.000 0.890 437 L HN 0.794 nan 8.230 nan 0.000 0.431 438 T N -3.871 110.723 114.554 0.065 0.000 2.929 438 T HA -0.161 4.189 4.350 0.000 0.000 0.271 438 T C 0.715 175.385 174.700 -0.051 0.000 1.085 438 T CA 0.959 63.055 62.100 -0.007 0.000 1.125 438 T CB -0.147 68.712 68.868 -0.016 0.000 0.874 438 T HN 0.198 nan 8.240 nan 0.000 0.494 439 D N 0.256 120.667 120.400 0.018 0.000 2.358 439 D HA 0.189 4.829 4.640 0.000 0.000 0.253 439 D C -0.178 176.204 176.300 0.136 0.000 1.288 439 D CA -0.552 53.455 54.000 0.012 0.000 0.950 439 D CB 0.807 41.628 40.800 0.035 0.000 1.197 439 D HN 0.119 nan 8.370 nan 0.000 0.550 440 H N 1.450 120.538 119.070 0.030 0.000 2.563 440 H HA 0.046 4.602 4.556 0.000 0.000 0.272 440 H C 1.423 176.768 175.328 0.028 0.000 1.005 440 H CA 0.635 56.702 56.048 0.031 0.000 1.171 440 H CB 0.122 29.897 29.762 0.023 0.000 1.351 440 H HN 0.287 nan 8.280 nan 0.000 0.602 441 T N -0.764 113.867 114.554 0.128 0.000 3.035 441 T HA -0.050 4.300 4.350 0.000 0.000 0.259 441 T C 1.609 176.346 174.700 0.062 0.000 1.078 441 T CA 0.831 62.977 62.100 0.077 0.000 1.132 441 T CB -0.394 68.501 68.868 0.044 0.000 0.900 441 T HN 0.666 nan 8.240 nan 0.000 0.480 442 N N 2.466 121.207 118.700 0.069 0.000 2.971 442 N HA 0.197 4.937 4.740 0.000 0.000 0.294 442 N C -0.034 175.491 175.510 0.025 0.000 1.210 442 N CA -0.022 53.055 53.050 0.045 0.000 1.157 442 N CB -0.688 37.841 38.487 0.070 0.000 1.450 442 N HN 0.424 nan 8.380 nan 0.000 0.527 443 K N 0.811 121.224 120.400 0.022 0.000 2.367 443 K HA 0.334 4.654 4.320 0.000 0.000 0.263 443 K C -0.822 175.767 176.600 -0.018 0.000 1.000 443 K CA -0.640 55.662 56.287 0.026 0.000 0.891 443 K CB 0.621 33.178 32.500 0.095 0.000 1.117 443 K HN 0.372 nan 8.250 nan 0.000 0.443 444 K N 4.425 124.758 120.400 -0.112 0.000 2.345 444 K HA 0.268 4.588 4.320 0.000 0.000 0.255 444 K C -1.291 175.092 176.600 -0.362 0.000 0.934 444 K CA -0.844 55.326 56.287 -0.195 0.000 0.801 444 K CB 1.644 34.011 32.500 -0.221 0.000 1.137 444 K HN 0.758 nan 8.250 nan 0.000 0.424 445 C N 5.942 124.933 119.300 -0.515 0.000 2.527 445 C HA 0.335 4.795 4.460 0.000 0.000 0.396 445 C C 1.224 175.800 174.990 -0.690 0.000 1.289 445 C CA -0.547 57.870 59.018 -1.001 0.000 2.047 445 C CB -0.878 26.188 27.740 -1.124 0.000 2.568 445 C HN 0.922 nan 8.230 nan 0.000 0.573 446 L N 4.891 125.685 121.223 -0.715 0.000 2.693 446 L HA 0.154 4.494 4.340 0.000 0.000 0.235 446 L C 1.753 178.279 176.870 -0.573 0.000 1.127 446 L CA 0.466 54.983 54.840 -0.538 0.000 0.914 446 L CB -0.297 41.456 42.059 -0.509 0.000 1.193 446 L HN 0.908 nan 8.230 nan 0.000 0.502 447 S N -3.213 112.066 115.700 -0.702 0.000 2.649 447 S HA 0.003 4.473 4.470 0.000 0.000 0.246 447 S C 1.712 176.012 174.600 -0.501 0.000 1.057 447 S CA -0.167 57.556 58.200 -0.794 0.000 1.051 447 S CB -0.201 62.092 63.200 -1.512 0.000 1.018 447 S HN 0.271 nan 8.310 nan 0.000 0.569 448 C N 3.065 122.027 119.300 -0.563 0.000 2.398 448 C HA -0.118 4.342 4.460 0.000 0.000 0.276 448 C C 2.435 177.245 174.990 -0.300 0.000 1.222 448 C CA 1.470 60.113 59.018 -0.624 0.000 1.746 448 C CB -1.002 26.055 27.740 -1.138 0.000 2.039 448 C HN 0.613 nan 8.230 nan 0.000 0.470 449 D N 0.756 121.004 120.400 -0.253 0.000 2.075 449 D HA -0.062 4.578 4.640 0.000 0.000 0.196 449 D C 2.104 178.383 176.300 -0.035 0.000 0.985 449 D CA 0.775 54.709 54.000 -0.110 0.000 0.834 449 D CB -0.870 39.862 40.800 -0.112 0.000 0.987 449 D HN 0.407 nan 8.370 nan 0.000 0.452 450 L N -0.368 120.826 121.223 -0.048 0.000 2.411 450 L HA -0.325 4.016 4.340 0.000 0.000 0.234 450 L C 0.369 177.285 176.870 0.076 0.000 1.140 450 L CA 2.009 56.865 54.840 0.027 0.000 0.850 450 L CB -0.751 41.329 42.059 0.034 0.000 0.970 450 L HN 0.095 nan 8.230 nan 0.000 0.441 451 N N -2.152 116.617 118.700 0.116 0.000 2.732 451 N HA 0.117 4.857 4.740 0.000 0.000 0.230 451 N C -1.931 173.633 175.510 0.090 0.000 1.487 451 N CA -0.551 52.551 53.050 0.086 0.000 0.765 451 N CB 0.901 39.431 38.487 0.071 0.000 1.384 451 N HN 0.053 nan 8.380 nan 0.000 0.530 452 P HA -0.253 nan 4.420 nan 0.000 0.218 452 P C 0.350 177.697 177.300 0.078 0.000 1.146 452 P CA 1.619 64.793 63.100 0.124 0.000 0.820 452 P CB 0.521 32.298 31.700 0.128 0.000 0.778 453 E N 0.287 120.514 120.200 0.045 0.000 2.014 453 E HA -0.076 4.274 4.350 0.000 0.000 0.190 453 E C 2.445 179.044 176.600 -0.002 0.000 0.980 453 E CA 0.696 57.108 56.400 0.019 0.000 0.807 453 E CB -1.102 28.603 29.700 0.008 0.000 0.770 453 E HN 0.104 nan 8.360 nan 0.000 0.451 454 R N -0.081 120.408 120.500 -0.018 0.000 2.093 454 R HA 0.103 4.443 4.340 0.000 0.000 0.224 454 R C -0.191 176.058 176.300 -0.085 0.000 1.101 454 R CA 0.937 57.002 56.100 -0.058 0.000 0.979 454 R CB 0.041 30.299 30.300 -0.069 0.000 0.877 454 R HN 0.255 nan 8.270 nan 0.000 0.441 455 c N 0.602 119.155 118.600 -0.079 0.000 2.319 455 c HA 0.438 5.008 4.570 0.000 0.000 0.323 455 c C 0.390 174.415 174.090 -0.108 0.000 1.277 455 c CA -0.710 55.492 56.329 -0.212 0.000 1.517 455 c CB 1.470 43.740 42.510 -0.400 0.000 2.206 455 c HN 0.495 nan 8.230 nan 0.000 0.486 456 Q N 0.123 119.857 119.800 -0.110 0.000 2.040 456 Q HA 0.151 4.491 4.340 0.000 0.000 0.212 456 Q C -1.042 175.006 176.000 0.079 0.000 0.766 456 Q CA 0.109 55.946 55.803 0.057 0.000 0.967 456 Q CB 1.230 30.020 28.738 0.086 0.000 1.202 456 Q HN 0.825 nan 8.270 nan 0.000 0.446 457 Y N 0.565 120.740 120.300 -0.209 0.000 2.488 457 Y HA 0.357 4.907 4.550 0.000 0.000 0.330 457 Y C -1.423 174.340 175.900 -0.228 0.000 1.013 457 Y CA -0.888 57.133 58.100 -0.133 0.000 1.304 457 Y CB 0.611 39.013 38.460 -0.098 0.000 1.098 457 Y HN -0.065 nan 8.280 nan 0.000 0.498 458 Y N 2.040 122.275 120.300 -0.109 0.000 2.419 458 Y HA 0.549 5.099 4.550 0.000 0.000 0.328 458 Y C 0.422 176.271 175.900 -0.085 0.000 1.162 458 Y CA -0.449 57.606 58.100 -0.075 0.000 1.174 458 Y CB 1.926 40.323 38.460 -0.105 0.000 1.228 458 Y HN 0.482 nan 8.280 nan 0.000 0.473 459 S N 1.660 117.467 115.700 0.178 0.000 2.566 459 S HA 0.832 5.302 4.470 0.000 0.000 0.298 459 S C -1.382 173.313 174.600 0.159 0.000 1.083 459 S CA -0.619 57.667 58.200 0.144 0.000 0.978 459 S CB 1.742 65.052 63.200 0.184 0.000 1.073 459 S HN 0.609 nan 8.310 nan 0.000 0.491 460 V N 1.022 121.010 119.914 0.124 0.000 3.164 460 V HA 0.956 5.076 4.120 0.000 0.000 0.313 460 V C -0.965 175.231 176.094 0.170 0.000 1.188 460 V CA -0.151 62.217 62.300 0.114 0.000 1.058 460 V CB 2.251 34.070 31.823 -0.007 0.000 1.110 460 V HN 1.318 nan 8.190 nan 0.000 0.453 461 S N 2.211 118.040 115.700 0.215 0.000 2.317 461 S HA 0.429 4.899 4.470 0.000 0.000 0.208 461 S C -1.569 173.292 174.600 0.435 0.000 0.849 461 S CA -0.521 57.871 58.200 0.320 0.000 1.042 461 S CB 0.139 63.547 63.200 0.346 0.000 1.316 461 S HN 0.607 nan 8.310 nan 0.000 0.386 462 L N 3.808 125.131 121.223 0.167 0.000 2.375 462 L HA 0.603 4.943 4.340 0.000 0.000 0.271 462 L C 1.213 177.772 176.870 -0.518 0.000 1.107 462 L CA -0.128 54.658 54.840 -0.090 0.000 0.806 462 L CB 1.280 43.192 42.059 -0.245 0.000 1.146 462 L HN 0.745 nan 8.230 nan 0.000 0.447 463 S N 1.116 116.155 115.700 -1.103 0.000 2.598 463 S HA 0.113 4.583 4.470 0.000 0.000 0.256 463 S C 1.173 175.473 174.600 -0.499 0.000 1.350 463 S CA -0.510 56.787 58.200 -1.505 0.000 0.984 463 S CB 0.410 62.819 63.200 -1.319 0.000 0.930 463 S HN 0.505 nan 8.310 nan 0.000 0.577 464 K N 0.814 121.075 120.400 -0.232 0.000 2.207 464 K HA -0.156 4.164 4.320 0.000 0.000 0.208 464 K C 0.744 177.325 176.600 -0.032 0.000 1.046 464 K CA 1.919 58.185 56.287 -0.036 0.000 0.929 464 K CB -0.443 32.083 32.500 0.043 0.000 0.720 464 K HN 0.812 nan 8.250 nan 0.000 0.463 465 E N -1.504 118.651 120.200 -0.075 0.000 3.191 465 E HA 0.290 4.640 4.350 0.000 0.000 0.192 465 E C -0.531 176.032 176.600 -0.063 0.000 0.972 465 E CA 0.213 56.595 56.400 -0.030 0.000 1.266 465 E CB 0.767 30.471 29.700 0.007 0.000 1.076 465 E HN 0.208 nan 8.360 nan 0.000 0.462 466 A N 1.315 124.041 122.820 -0.156 0.000 2.798 466 A HA -0.343 3.977 4.320 0.000 0.000 0.282 466 A C 1.478 178.969 177.584 -0.155 0.000 1.464 466 A CA 1.753 53.659 52.037 -0.219 0.000 0.844 466 A CB -1.708 17.154 19.000 -0.229 0.000 1.006 466 A HN 0.366 nan 8.150 nan 0.000 0.577 467 K N -1.805 118.493 120.400 -0.171 0.000 2.103 467 K HA 0.036 4.356 4.320 0.000 0.000 0.204 467 K C 0.334 176.636 176.600 -0.497 0.000 1.052 467 K CA 1.534 57.663 56.287 -0.263 0.000 0.945 467 K CB -0.022 32.356 32.500 -0.203 0.000 0.722 467 K HN 0.672 nan 8.250 nan 0.000 0.443 468 Y N -1.366 118.797 120.300 -0.227 0.000 2.662 468 Y HA 0.349 4.899 4.550 0.000 0.000 0.335 468 Y C -0.798 175.030 175.900 -0.120 0.000 1.066 468 Y CA -1.253 56.736 58.100 -0.185 0.000 1.116 468 Y CB 1.547 39.936 38.460 -0.118 0.000 1.308 468 Y HN 0.005 nan 8.280 nan 0.000 0.502 469 Y N -1.208 119.215 120.300 0.205 0.000 2.592 469 Y HA 0.505 5.056 4.550 0.000 0.000 0.334 469 Y C -1.611 174.499 175.900 0.349 0.000 1.136 469 Y CA -1.544 56.665 58.100 0.181 0.000 1.042 469 Y CB 1.429 39.867 38.460 -0.036 0.000 1.325 469 Y HN 0.572 nan 8.280 nan 0.000 0.457 470 Q N 3.808 123.977 119.800 0.615 0.000 2.333 470 Q HA 0.576 4.916 4.340 0.000 0.000 0.267 470 Q C -1.943 174.309 176.000 0.420 0.000 1.012 470 Q CA -0.759 55.320 55.803 0.460 0.000 0.824 470 Q CB 1.968 30.885 28.738 0.299 0.000 1.290 470 Q HN 0.997 nan 8.270 nan 0.000 0.449 471 L N 2.110 123.575 121.223 0.403 0.000 2.322 471 L HA 0.614 4.954 4.340 0.000 0.000 0.279 471 L C 0.398 177.433 176.870 0.275 0.000 1.036 471 L CA -0.840 54.189 54.840 0.315 0.000 0.807 471 L CB 1.884 44.104 42.059 0.268 0.000 1.226 471 L HN 0.812 nan 8.230 nan 0.000 0.433 472 G N 1.380 110.319 108.800 0.232 0.000 2.603 472 G HA2 0.283 4.243 3.960 0.000 0.000 0.324 472 G HA3 0.283 4.243 3.960 0.000 0.000 0.324 472 G C -0.581 174.235 174.900 -0.139 0.000 1.178 472 G CA -0.287 44.800 45.100 -0.022 0.000 1.023 472 G HN 0.693 nan 8.290 nan 0.000 0.482 473 c N 5.123 123.488 118.600 -0.390 0.000 2.416 473 c HA 0.488 5.058 4.570 0.000 0.000 0.355 473 c C 1.248 175.127 174.090 -0.352 0.000 1.211 473 c CA -0.790 55.241 56.329 -0.496 0.000 1.699 473 c CB -0.354 41.905 42.510 -0.418 0.000 2.310 473 c HN 0.722 nan 8.230 nan 0.000 0.539 474 R N 3.860 124.254 120.500 -0.177 0.000 2.334 474 R HA 0.207 4.547 4.340 0.000 0.000 0.212 474 R C 1.516 177.807 176.300 -0.014 0.000 0.897 474 R CA 0.471 56.566 56.100 -0.007 0.000 1.056 474 R CB -0.960 29.433 30.300 0.156 0.000 1.046 474 R HN 0.918 nan 8.270 nan 0.000 0.513 475 G N 2.699 111.438 108.800 -0.102 0.000 3.483 475 G HA2 -0.154 3.806 3.960 0.000 0.000 0.255 475 G HA3 -0.154 3.806 3.960 0.000 0.000 0.255 475 G C -1.484 173.399 174.900 -0.028 0.000 1.284 475 G CA -0.570 44.479 45.100 -0.085 0.000 0.913 475 G HN 0.020 nan 8.290 nan 0.000 0.633 476 P HA -0.140 nan 4.420 nan 0.000 0.218 476 P C 1.520 178.817 177.300 -0.005 0.000 1.165 476 P CA 1.953 65.061 63.100 0.013 0.000 0.922 476 P CB -0.224 31.476 31.700 0.001 0.000 0.794 477 G N -1.231 107.510 108.800 -0.099 0.000 2.553 477 G HA2 0.317 4.277 3.960 0.000 0.000 0.278 477 G HA3 0.317 4.277 3.960 0.000 0.000 0.278 477 G C -0.475 174.168 174.900 -0.429 0.000 1.349 477 G CA -0.656 44.307 45.100 -0.228 0.000 1.037 477 G HN 0.067 nan 8.290 nan 0.000 0.508 478 L N 2.067 122.937 121.223 -0.589 0.000 2.525 478 L HA 0.122 4.462 4.340 0.000 0.000 0.278 478 L C -1.475 175.216 176.870 -0.298 0.000 1.218 478 L CA -1.131 53.304 54.840 -0.675 0.000 0.878 478 L CB 0.253 42.039 42.059 -0.455 0.000 1.127 478 L HN 0.342 nan 8.230 nan 0.000 0.492 479 P HA -0.035 nan 4.420 nan 0.000 0.263 479 P C -0.859 176.355 177.300 -0.143 0.000 1.175 479 P CA -0.047 62.993 63.100 -0.099 0.000 0.761 479 P CB 0.979 32.741 31.700 0.104 0.000 0.794 480 L N 5.388 126.418 121.223 -0.321 0.000 2.376 480 L HA 0.462 4.802 4.340 0.000 0.000 0.275 480 L C -1.467 175.175 176.870 -0.381 0.000 0.987 480 L CA -0.908 53.800 54.840 -0.220 0.000 0.828 480 L CB 1.148 43.136 42.059 -0.119 0.000 1.249 480 L HN 0.181 nan 8.230 nan 0.000 0.409 481 Y N 2.932 123.240 120.300 0.015 0.000 2.335 481 Y HA 0.739 5.289 4.550 0.000 0.000 0.338 481 Y C 0.458 176.318 175.900 -0.067 0.000 0.977 481 Y CA -0.485 57.620 58.100 0.009 0.000 1.114 481 Y CB 2.017 40.474 38.460 -0.004 0.000 1.182 481 Y HN 0.672 nan 8.280 nan 0.000 0.463 482 T N 2.014 116.636 114.554 0.114 0.000 2.903 482 T HA 0.770 5.120 4.350 0.000 0.000 0.299 482 T C -1.123 173.613 174.700 0.060 0.000 1.093 482 T CA -0.999 61.102 62.100 0.001 0.000 1.002 482 T CB 1.586 70.452 68.868 -0.003 0.000 1.127 482 T HN 0.700 nan 8.240 nan 0.000 0.488 483 L N 0.529 121.678 121.223 -0.123 0.000 2.362 483 L HA 0.945 5.285 4.340 0.000 0.000 0.271 483 L C -1.584 175.136 176.870 -0.251 0.000 1.002 483 L CA -0.995 53.862 54.840 0.028 0.000 0.818 483 L CB 1.743 43.850 42.059 0.079 0.000 1.298 483 L HN 0.848 nan 8.230 nan 0.000 0.420 484 H N 0.774 119.676 119.070 -0.279 0.000 2.797 484 H HA 0.563 5.119 4.556 0.000 0.000 0.372 484 H C -0.931 174.138 175.328 -0.432 0.000 1.168 484 H CA -0.916 54.873 56.048 -0.433 0.000 1.163 484 H CB 1.343 30.675 29.762 -0.717 0.000 1.778 484 H HN 0.700 nan 8.280 nan 0.000 0.551 485 R N 0.251 120.663 120.500 -0.147 0.000 2.234 485 R HA 0.361 4.701 4.340 0.000 0.000 0.324 485 R C 0.583 176.723 176.300 -0.267 0.000 1.054 485 R CA -0.270 55.679 56.100 -0.250 0.000 0.912 485 R CB 1.097 31.283 30.300 -0.191 0.000 1.030 485 R HN 0.548 nan 8.270 nan 0.000 0.455 486 S N 2.613 118.154 115.700 -0.266 0.000 2.387 486 S HA -0.198 4.272 4.470 0.000 0.000 0.230 486 S C 1.098 175.733 174.600 0.059 0.000 1.035 486 S CA 2.186 60.401 58.200 0.026 0.000 1.014 486 S CB -0.297 62.949 63.200 0.076 0.000 0.836 486 S HN 0.857 nan 8.310 nan 0.000 0.466 487 T N 1.803 116.338 114.554 -0.032 0.000 2.544 487 T HA -0.204 4.146 4.350 0.000 0.000 0.264 487 T C 1.367 176.078 174.700 0.018 0.000 1.096 487 T CA 1.926 64.031 62.100 0.008 0.000 1.181 487 T CB -0.726 68.123 68.868 -0.032 0.000 0.864 487 T HN 0.819 nan 8.240 nan 0.000 0.415 488 D N -0.118 120.278 120.400 -0.007 0.000 2.379 488 D HA 0.197 4.837 4.640 0.000 0.000 0.208 488 D C 0.747 177.049 176.300 0.003 0.000 1.065 488 D CA -0.023 53.975 54.000 -0.003 0.000 0.848 488 D CB -0.192 40.603 40.800 -0.008 0.000 0.949 488 D HN 0.356 nan 8.370 nan 0.000 0.509 489 Q N -0.930 118.877 119.800 0.012 0.000 2.385 489 Q HA -0.212 4.129 4.340 0.000 0.000 0.215 489 Q C -0.228 175.814 176.000 0.069 0.000 0.671 489 Q CA 1.013 56.842 55.803 0.043 0.000 1.335 489 Q CB -1.888 26.881 28.738 0.052 0.000 1.425 489 Q HN 0.467 nan 8.270 nan 0.000 0.781 490 K N 1.881 122.291 120.400 0.017 0.000 2.466 490 K HA -0.045 4.275 4.320 0.000 0.000 0.278 490 K C -0.154 176.435 176.600 -0.019 0.000 1.048 490 K CA 0.358 56.650 56.287 0.009 0.000 1.088 490 K CB 0.339 32.831 32.500 -0.014 0.000 0.884 490 K HN 0.231 nan 8.250 nan 0.000 0.478 491 E N 6.306 126.477 120.200 -0.049 0.000 1.985 491 E HA -0.039 4.311 4.350 0.000 0.000 0.268 491 E C 0.861 177.325 176.600 -0.226 0.000 1.219 491 E CA -0.225 55.979 56.400 -0.327 0.000 0.942 491 E CB 0.182 29.711 29.700 -0.284 0.000 1.045 491 E HN 0.660 nan 8.360 nan 0.000 0.413 492 L N 4.226 125.331 121.223 -0.197 0.000 2.043 492 L HA -0.167 4.173 4.340 0.000 0.000 0.212 492 L C 1.320 178.126 176.870 -0.106 0.000 1.075 492 L CA 1.428 56.208 54.840 -0.099 0.000 0.752 492 L CB -0.875 41.161 42.059 -0.038 0.000 0.891 492 L HN 0.603 nan 8.230 nan 0.000 0.432 493 R N -2.475 117.929 120.500 -0.161 0.000 2.780 493 R HA 0.462 4.802 4.340 0.000 0.000 0.280 493 R C -1.678 174.518 176.300 -0.172 0.000 1.016 493 R CA -0.963 55.057 56.100 -0.133 0.000 0.854 493 R CB 1.452 31.701 30.300 -0.085 0.000 1.293 493 R HN -0.277 nan 8.270 nan 0.000 0.483 494 V N 2.597 122.428 119.914 -0.139 0.000 2.350 494 V HA 0.218 4.338 4.120 0.000 0.000 0.276 494 V C 1.154 177.125 176.094 -0.206 0.000 1.028 494 V CA -0.476 61.740 62.300 -0.140 0.000 0.860 494 V CB 1.197 32.970 31.823 -0.083 0.000 0.990 494 V HN 0.628 nan 8.190 nan 0.000 0.453 495 L N 3.062 124.092 121.223 -0.322 0.000 2.209 495 L HA 0.247 4.587 4.340 0.000 0.000 0.207 495 L C 0.695 177.285 176.870 -0.467 0.000 1.094 495 L CA 0.774 55.200 54.840 -0.688 0.000 0.790 495 L CB 0.174 41.486 42.059 -1.245 0.000 0.932 495 L HN 0.676 nan 8.230 nan 0.000 0.447 496 E N 0.567 120.679 120.200 -0.146 0.000 2.506 496 E HA 0.157 4.507 4.350 0.000 0.000 0.308 496 E C -2.024 174.649 176.600 0.121 0.000 0.931 496 E CA -0.652 55.770 56.400 0.037 0.000 0.800 496 E CB 0.990 30.765 29.700 0.125 0.000 1.292 496 E HN 0.146 nan 8.360 nan 0.000 0.401 497 D N 2.725 123.165 120.400 0.067 0.000 2.649 497 D HA 0.261 4.901 4.640 0.000 0.000 0.249 497 D C -0.612 175.718 176.300 0.049 0.000 1.112 497 D CA -0.777 53.248 54.000 0.042 0.000 0.850 497 D CB 1.087 41.890 40.800 0.005 0.000 1.399 497 D HN 0.368 nan 8.370 nan 0.000 0.503 498 N N 0.659 119.383 118.700 0.041 0.000 3.210 498 N HA -0.009 4.731 4.740 0.000 0.000 0.314 498 N C 1.373 176.896 175.510 0.021 0.000 1.291 498 N CA -0.011 53.066 53.050 0.045 0.000 1.202 498 N CB 0.232 38.746 38.487 0.045 0.000 1.475 498 N HN 0.429 nan 8.380 nan 0.000 0.554 499 S N -0.499 115.215 115.700 0.024 0.000 2.368 499 S HA -0.227 4.243 4.470 0.000 0.000 0.225 499 S C 2.153 176.775 174.600 0.037 0.000 1.030 499 S CA 0.791 59.002 58.200 0.019 0.000 0.999 499 S CB -0.348 62.863 63.200 0.019 0.000 0.844 499 S HN 0.440 nan 8.310 nan 0.000 0.459 500 A N 2.501 125.354 122.820 0.054 0.000 1.859 500 A HA -0.043 4.277 4.320 0.000 0.000 0.217 500 A C 2.293 179.933 177.584 0.094 0.000 1.198 500 A CA 1.868 53.948 52.037 0.071 0.000 0.629 500 A CB -1.154 17.892 19.000 0.076 0.000 0.830 500 A HN 0.557 nan 8.150 nan 0.000 0.446 501 L N 0.345 121.630 121.223 0.103 0.000 2.012 501 L HA -0.203 4.137 4.340 0.000 0.000 0.210 501 L C 2.049 178.973 176.870 0.090 0.000 1.073 501 L CA 2.859 57.783 54.840 0.139 0.000 0.748 501 L CB -0.823 41.315 42.059 0.132 0.000 0.891 501 L HN 0.540 nan 8.230 nan 0.000 0.431 502 D N -0.174 120.243 120.400 0.028 0.000 2.116 502 D HA -0.294 4.346 4.640 0.000 0.000 0.193 502 D C 2.146 178.457 176.300 0.017 0.000 0.998 502 D CA 2.341 56.335 54.000 -0.010 0.000 0.836 502 D CB 0.263 41.046 40.800 -0.028 0.000 0.951 502 D HN 0.475 nan 8.370 nan 0.000 0.449 503 K N 0.693 121.118 120.400 0.043 0.000 2.074 503 K HA -0.145 4.175 4.320 0.000 0.000 0.209 503 K C 2.337 178.987 176.600 0.084 0.000 1.048 503 K CA 1.933 58.252 56.287 0.054 0.000 0.926 503 K CB -0.971 31.564 32.500 0.059 0.000 0.713 503 K HN 0.347 nan 8.250 nan 0.000 0.444 504 M N 0.074 119.755 119.600 0.136 0.000 2.123 504 M HA 0.098 4.578 4.480 0.000 0.000 0.263 504 M C 2.279 178.663 176.300 0.141 0.000 1.069 504 M CA 1.191 56.635 55.300 0.240 0.000 1.133 504 M CB -0.250 32.620 32.600 0.450 0.000 1.356 504 M HN 0.157 nan 8.290 nan 0.000 0.415 505 L N 0.529 121.751 121.223 -0.001 0.000 2.633 505 L HA -0.151 4.189 4.340 0.000 0.000 0.235 505 L C 2.427 179.247 176.870 -0.082 0.000 1.163 505 L CA 0.260 54.999 54.840 -0.168 0.000 0.859 505 L CB -0.676 41.276 42.059 -0.180 0.000 0.973 505 L HN 0.411 nan 8.230 nan 0.000 0.451 506 Q N 0.139 119.932 119.800 -0.012 0.000 2.083 506 Q HA -0.121 4.219 4.340 0.000 0.000 0.198 506 Q C 1.050 177.061 176.000 0.018 0.000 0.969 506 Q CA 1.178 56.983 55.803 0.003 0.000 0.838 506 Q CB -0.086 28.665 28.738 0.023 0.000 0.900 506 Q HN 0.584 nan 8.270 nan 0.000 0.436 507 D N 0.559 120.986 120.400 0.045 0.000 2.325 507 D HA 0.075 4.715 4.640 0.000 0.000 0.234 507 D C -0.018 176.319 176.300 0.061 0.000 1.122 507 D CA 0.139 54.178 54.000 0.065 0.000 0.850 507 D CB 0.596 41.455 40.800 0.099 0.000 0.921 507 D HN -0.041 nan 8.370 nan 0.000 0.513 508 V N 0.522 120.441 119.914 0.007 0.000 2.735 508 V HA 0.174 4.294 4.120 0.000 0.000 0.310 508 V C 0.086 176.157 176.094 -0.038 0.000 1.061 508 V CA -1.003 61.289 62.300 -0.013 0.000 0.913 508 V CB 2.546 34.296 31.823 -0.122 0.000 1.005 508 V HN -0.148 nan 8.190 nan 0.000 0.428 509 Q N 3.764 123.553 119.800 -0.018 0.000 2.844 509 Q HA 0.344 4.684 4.340 0.000 0.000 0.235 509 Q C -0.454 175.486 176.000 -0.100 0.000 1.336 509 Q CA -0.302 55.460 55.803 -0.068 0.000 1.026 509 Q CB 0.399 29.093 28.738 -0.073 0.000 1.513 509 Q HN 0.549 nan 8.270 nan 0.000 0.577 510 M N 3.355 122.882 119.600 -0.121 0.000 2.238 510 M HA 0.230 4.710 4.480 0.000 0.000 0.347 510 M C -1.882 174.337 176.300 -0.136 0.000 1.173 510 M CA -1.928 53.286 55.300 -0.142 0.000 1.147 510 M CB -0.326 32.188 32.600 -0.144 0.000 1.547 510 M HN 0.262 nan 8.290 nan 0.000 0.455 511 P HA 0.279 nan 4.420 nan 0.000 0.279 511 P C -0.708 176.520 177.300 -0.121 0.000 1.276 511 P CA -0.382 62.633 63.100 -0.142 0.000 0.801 511 P CB 0.727 32.337 31.700 -0.150 0.000 1.127 512 S N -0.963 114.657 115.700 -0.134 0.000 2.766 512 S HA 0.592 5.062 4.470 0.000 0.000 0.307 512 S C -0.497 174.034 174.600 -0.114 0.000 1.121 512 S CA -0.739 57.399 58.200 -0.103 0.000 0.980 512 S CB 1.493 64.636 63.200 -0.095 0.000 1.159 512 S HN 0.516 nan 8.310 nan 0.000 0.546 513 K N 0.761 121.115 120.400 -0.077 0.000 2.640 513 K HA 0.304 4.624 4.320 0.000 0.000 0.245 513 K C -1.215 175.357 176.600 -0.048 0.000 0.962 513 K CA -0.401 55.847 56.287 -0.065 0.000 0.896 513 K CB 1.128 33.610 32.500 -0.029 0.000 1.147 513 K HN 0.681 nan 8.250 nan 0.000 0.445 514 K N 4.375 124.736 120.400 -0.065 0.000 2.205 514 K HA 0.233 4.553 4.320 0.000 0.000 0.279 514 K C -1.176 175.406 176.600 -0.030 0.000 1.027 514 K CA -0.621 55.641 56.287 -0.041 0.000 0.932 514 K CB 0.752 33.229 32.500 -0.039 0.000 1.032 514 K HN 0.456 nan 8.250 nan 0.000 0.466 515 L N 4.763 125.975 121.223 -0.018 0.000 2.442 515 L HA 0.417 4.757 4.340 0.000 0.000 0.261 515 L C -1.189 175.708 176.870 0.046 0.000 1.000 515 L CA -0.012 54.846 54.840 0.031 0.000 0.882 515 L CB 0.994 43.130 42.059 0.127 0.000 1.207 515 L HN 0.738 nan 8.230 nan 0.000 0.443 516 D N 2.640 122.833 120.400 -0.346 0.000 2.837 516 D HA 0.523 5.163 4.640 0.000 0.000 0.294 516 D C -1.462 174.392 176.300 -0.742 0.000 1.158 516 D CA -0.100 53.600 54.000 -0.500 0.000 1.073 516 D CB 2.240 42.749 40.800 -0.484 0.000 1.419 516 D HN 0.218 nan 8.370 nan 0.000 0.584 517 F N -0.148 119.358 119.950 -0.739 0.000 2.613 517 F HA 0.643 5.170 4.527 0.000 0.000 0.314 517 F C -1.429 174.422 175.800 0.085 0.000 1.075 517 F CA -0.980 56.729 58.000 -0.486 0.000 0.945 517 F CB 1.147 39.361 39.000 -1.310 0.000 1.310 517 F HN 0.095 nan 8.300 nan 0.000 0.467 518 I N 2.361 123.252 120.570 0.534 0.000 2.910 518 I HA 0.692 4.862 4.170 0.000 0.000 0.310 518 I C -1.423 174.988 176.117 0.490 0.000 1.043 518 I CA -1.266 60.268 61.300 0.391 0.000 1.053 518 I CB 2.255 40.442 38.000 0.312 0.000 1.242 518 I HN 0.733 nan 8.210 nan 0.000 0.452 519 V N 7.351 127.473 119.914 0.347 0.000 2.444 519 V HA 0.579 4.699 4.120 0.000 0.000 0.294 519 V C -1.268 174.993 176.094 0.278 0.000 1.022 519 V CA -0.384 62.109 62.300 0.323 0.000 0.850 519 V CB 1.631 33.605 31.823 0.252 0.000 0.992 519 V HN 0.555 nan 8.190 nan 0.000 0.426 520 L N 5.610 127.067 121.223 0.390 0.000 2.354 520 L HA 0.648 4.988 4.340 0.000 0.000 0.269 520 L C 0.604 177.649 176.870 0.292 0.000 1.005 520 L CA -1.101 53.924 54.840 0.307 0.000 0.819 520 L CB 1.844 44.088 42.059 0.309 0.000 1.311 520 L HN 0.668 nan 8.230 nan 0.000 0.423 521 N N 2.370 121.178 118.700 0.180 0.000 2.701 521 N HA -0.230 4.510 4.740 0.000 0.000 0.252 521 N C -0.191 175.397 175.510 0.130 0.000 1.002 521 N CA 1.407 54.543 53.050 0.144 0.000 0.758 521 N CB -0.712 37.869 38.487 0.157 0.000 0.937 521 N HN 0.839 nan 8.380 nan 0.000 0.538 522 E N -3.674 116.594 120.200 0.113 0.000 2.868 522 E HA -0.203 4.147 4.350 0.000 0.000 0.278 522 E C -0.612 176.010 176.600 0.038 0.000 1.009 522 E CA 1.079 57.523 56.400 0.073 0.000 0.856 522 E CB -1.915 27.817 29.700 0.053 0.000 1.428 522 E HN 0.439 nan 8.360 nan 0.000 0.423 523 T N 0.288 114.865 114.554 0.037 0.000 2.893 523 T HA 0.386 4.736 4.350 0.000 0.000 0.293 523 T C 0.008 174.536 174.700 -0.287 0.000 1.027 523 T CA -0.822 61.182 62.100 -0.160 0.000 0.988 523 T CB 1.900 70.606 68.868 -0.270 0.000 1.043 523 T HN 0.021 nan 8.240 nan 0.000 0.461 524 R N 1.579 121.851 120.500 -0.381 0.000 2.438 524 R HA 0.383 4.723 4.340 0.000 0.000 0.287 524 R C -1.087 174.930 176.300 -0.472 0.000 1.077 524 R CA 0.101 55.985 56.100 -0.359 0.000 1.034 524 R CB 0.376 30.368 30.300 -0.514 0.000 0.993 524 R HN 0.535 nan 8.270 nan 0.000 0.459 525 F N 2.499 122.570 119.950 0.202 0.000 2.716 525 F HA 0.214 4.742 4.527 0.000 0.000 0.354 525 F C -0.492 175.522 175.800 0.356 0.000 1.168 525 F CA -0.883 57.268 58.000 0.250 0.000 1.045 525 F CB 0.861 40.053 39.000 0.320 0.000 1.311 525 F HN 0.431 nan 8.300 nan 0.000 0.477 526 W N 3.500 124.995 121.300 0.325 0.000 2.112 526 W HA 0.373 5.034 4.660 0.000 0.000 0.349 526 W C -0.227 176.537 176.519 0.408 0.000 1.289 526 W CA -0.120 57.428 57.345 0.338 0.000 1.256 526 W CB 0.231 29.802 29.460 0.186 0.000 1.148 526 W HN 0.451 nan 8.180 nan 0.000 0.590 527 Y N -1.074 119.599 120.300 0.621 0.000 2.670 527 Y HA 0.610 5.160 4.550 0.000 0.000 0.334 527 Y C -1.091 175.060 175.900 0.419 0.000 1.185 527 Y CA -1.916 56.530 58.100 0.578 0.000 1.053 527 Y CB 0.912 39.873 38.460 0.834 0.000 1.298 527 Y HN 0.561 nan 8.280 nan 0.000 0.459 528 Q N 1.621 121.710 119.800 0.482 0.000 2.501 528 Q HA 0.825 5.165 4.340 0.000 0.000 0.288 528 Q C -1.825 174.324 176.000 0.248 0.000 1.051 528 Q CA -1.222 54.722 55.803 0.235 0.000 0.788 528 Q CB 3.500 32.332 28.738 0.157 0.000 1.469 528 Q HN 0.829 nan 8.270 nan 0.000 0.416 529 M N 1.669 121.323 119.600 0.091 0.000 2.378 529 M HA 0.448 4.928 4.480 0.000 0.000 0.289 529 M C -1.422 174.816 176.300 -0.103 0.000 1.136 529 M CA -0.910 54.372 55.300 -0.030 0.000 0.917 529 M CB 2.432 34.973 32.600 -0.099 0.000 1.669 529 M HN 0.582 nan 8.290 nan 0.000 0.461 530 I N 4.723 125.216 120.570 -0.129 0.000 2.337 530 I HA 0.372 4.542 4.170 0.000 0.000 0.285 530 I C -0.469 175.489 176.117 -0.266 0.000 1.041 530 I CA -0.372 60.833 61.300 -0.158 0.000 1.199 530 I CB 0.288 38.221 38.000 -0.112 0.000 1.370 530 I HN 0.629 nan 8.210 nan 0.000 0.470 531 L N 8.433 129.438 121.223 -0.364 0.000 2.305 531 L HA 0.390 4.731 4.340 0.000 0.000 0.281 531 L C -1.917 174.726 176.870 -0.379 0.000 1.085 531 L CA -1.722 52.769 54.840 -0.582 0.000 0.813 531 L CB 0.806 42.343 42.059 -0.869 0.000 1.157 531 L HN 0.275 nan 8.230 nan 0.000 0.436 532 P HA 0.108 nan 4.420 nan 0.000 0.269 532 P C -2.339 174.880 177.300 -0.134 0.000 1.209 532 P CA -1.011 61.975 63.100 -0.190 0.000 0.776 532 P CB 0.256 31.886 31.700 -0.115 0.000 0.876 533 P HA -0.250 nan 4.420 nan 0.000 0.240 533 P C 0.811 177.991 177.300 -0.199 0.000 0.874 533 P CA 1.655 64.591 63.100 -0.273 0.000 1.103 533 P CB -0.746 30.689 31.700 -0.442 0.000 0.713 534 H N -1.256 117.846 119.070 0.053 0.000 4.154 534 H HA 0.018 4.575 4.556 0.000 0.000 0.224 534 H C 0.344 175.721 175.328 0.081 0.000 1.227 534 H CA -0.240 55.839 56.048 0.051 0.000 1.274 534 H CB -2.093 27.689 29.762 0.033 0.000 1.426 534 H HN 0.119 nan 8.280 nan 0.000 0.788 535 F N 2.858 122.788 119.950 -0.034 0.000 2.514 535 F HA -0.084 4.443 4.527 0.000 0.000 0.399 535 F C 0.334 176.115 175.800 -0.031 0.000 1.011 535 F CA -0.694 57.233 58.000 -0.123 0.000 1.109 535 F CB 0.138 38.933 39.000 -0.342 0.000 0.980 535 F HN 0.133 nan 8.300 nan 0.000 0.538 536 D N 5.451 125.579 120.400 -0.453 0.000 2.412 536 D HA 0.120 4.760 4.640 0.000 0.000 0.224 536 D C 0.987 176.836 176.300 -0.752 0.000 1.093 536 D CA -0.411 53.298 54.000 -0.485 0.000 0.850 536 D CB 1.084 41.793 40.800 -0.152 0.000 1.046 536 D HN 0.637 nan 8.370 nan 0.000 0.507 537 K N 1.907 121.742 120.400 -0.940 0.000 2.444 537 K HA -0.188 4.132 4.320 0.000 0.000 0.200 537 K C 1.495 178.011 176.600 -0.140 0.000 1.045 537 K CA 1.542 57.449 56.287 -0.632 0.000 0.934 537 K CB 0.126 32.421 32.500 -0.341 0.000 0.756 537 K HN 0.474 nan 8.250 nan 0.000 0.477 538 S N -0.673 114.949 115.700 -0.131 0.000 2.441 538 S HA 0.052 4.522 4.470 0.000 0.000 0.224 538 S C 0.670 175.264 174.600 -0.011 0.000 1.043 538 S CA -0.179 58.000 58.200 -0.035 0.000 0.948 538 S CB 0.129 63.295 63.200 -0.056 0.000 0.810 538 S HN 0.101 nan 8.310 nan 0.000 0.504 539 K N 1.144 121.513 120.400 -0.051 0.000 2.143 539 K HA 0.288 4.608 4.320 0.000 0.000 0.239 539 K C -0.382 176.195 176.600 -0.038 0.000 1.048 539 K CA 0.109 56.326 56.287 -0.118 0.000 0.867 539 K CB 0.267 32.592 32.500 -0.291 0.000 1.088 539 K HN 0.176 nan 8.250 nan 0.000 0.510 540 K N 1.738 122.035 120.400 -0.172 0.000 2.413 540 K HA 0.260 4.580 4.320 0.000 0.000 0.257 540 K C -1.315 175.183 176.600 -0.170 0.000 0.946 540 K CA -0.506 55.763 56.287 -0.031 0.000 0.823 540 K CB 1.129 33.608 32.500 -0.035 0.000 1.109 540 K HN 0.351 nan 8.250 nan 0.000 0.427 541 Y N 2.195 122.547 120.300 0.086 0.000 2.534 541 Y HA 0.359 4.909 4.550 0.000 0.000 0.329 541 Y C -2.007 173.830 175.900 -0.105 0.000 1.154 541 Y CA -2.665 55.441 58.100 0.011 0.000 1.192 541 Y CB 0.589 39.107 38.460 0.096 0.000 1.275 541 Y HN 0.437 nan 8.280 nan 0.000 0.491 542 P HA 0.207 nan 4.420 nan 0.000 0.282 542 P C -1.244 175.915 177.300 -0.235 0.000 1.249 542 P CA -0.263 62.579 63.100 -0.429 0.000 0.806 542 P CB 1.787 32.864 31.700 -1.038 0.000 0.984 543 L N 3.904 125.041 121.223 -0.143 0.000 2.329 543 L HA 0.561 4.901 4.340 0.000 0.000 0.279 543 L C -1.168 175.854 176.870 0.254 0.000 1.014 543 L CA -0.845 54.023 54.840 0.046 0.000 0.814 543 L CB 1.371 43.452 42.059 0.037 0.000 1.257 543 L HN 0.176 nan 8.230 nan 0.000 0.424 544 L N 6.252 127.633 121.223 0.264 0.000 2.342 544 L HA 0.560 4.900 4.340 0.000 0.000 0.276 544 L C -1.075 176.018 176.870 0.370 0.000 0.997 544 L CA -0.269 54.795 54.840 0.372 0.000 0.838 544 L CB 1.105 43.345 42.059 0.301 0.000 1.224 544 L HN 0.427 nan 8.230 nan 0.000 0.416 545 I N 4.049 124.895 120.570 0.459 0.000 2.416 545 I HA 0.232 4.402 4.170 0.000 0.000 0.288 545 I C 0.113 176.490 176.117 0.433 0.000 1.051 545 I CA -0.027 61.538 61.300 0.442 0.000 1.375 545 I CB 1.031 39.326 38.000 0.491 0.000 1.407 545 I HN 0.602 nan 8.210 nan 0.000 0.516 546 D N 6.828 127.449 120.400 0.368 0.000 2.280 546 D HA 0.459 5.099 4.640 0.000 0.000 0.236 546 D C -0.804 175.599 176.300 0.173 0.000 1.082 546 D CA -0.154 54.007 54.000 0.267 0.000 0.834 546 D CB 1.580 42.571 40.800 0.319 0.000 1.100 546 D HN 0.196 nan 8.370 nan 0.000 0.486 547 V N 3.332 123.269 119.914 0.038 0.000 2.960 547 V HA 0.487 4.607 4.120 0.000 0.000 0.315 547 V C -0.407 175.809 176.094 0.204 0.000 1.087 547 V CA -0.713 61.667 62.300 0.133 0.000 0.982 547 V CB 1.759 33.652 31.823 0.116 0.000 1.039 547 V HN 0.651 nan 8.190 nan 0.000 0.437 548 Y N 1.702 122.069 120.300 0.111 0.000 3.267 548 Y HA 0.524 5.074 4.550 0.000 0.000 0.156 548 Y C 1.601 177.628 175.900 0.212 0.000 0.922 548 Y CA 1.183 59.375 58.100 0.154 0.000 1.867 548 Y CB -0.269 38.255 38.460 0.105 0.000 1.383 548 Y HN 1.023 nan 8.280 nan 0.000 0.284 549 A N 1.104 124.030 122.820 0.176 0.000 2.826 549 A HA -0.120 4.200 4.320 0.000 0.000 0.274 549 A C 0.860 178.276 177.584 -0.280 0.000 1.443 549 A CA 1.201 53.267 52.037 0.048 0.000 0.833 549 A CB -2.265 16.827 19.000 0.153 0.000 1.023 549 A HN 1.030 nan 8.150 nan 0.000 0.600 550 G N -1.165 107.181 108.800 -0.757 0.000 2.562 550 G HA2 0.521 4.481 3.960 0.000 0.000 0.275 550 G HA3 0.521 4.481 3.960 0.000 0.000 0.275 550 G C -2.309 172.170 174.900 -0.701 0.000 1.196 550 G CA -1.213 42.968 45.100 -1.531 0.000 0.908 550 G HN 0.267 nan 8.290 nan 0.000 0.524 551 P HA 0.043 nan 4.420 nan 0.000 0.264 551 P C 0.621 177.728 177.300 -0.322 0.000 1.183 551 P CA 0.244 63.009 63.100 -0.557 0.000 0.763 551 P CB 0.641 31.634 31.700 -1.179 0.000 0.807 552 C N 2.618 121.833 119.300 -0.141 0.000 4.356 552 C HA -0.145 4.315 4.460 0.000 0.000 0.296 552 C C 0.903 175.944 174.990 0.084 0.000 1.424 552 C CA 1.051 60.007 59.018 -0.103 0.000 2.000 552 C CB -2.761 24.871 27.740 -0.181 0.000 1.262 552 C HN 0.783 nan 8.230 nan 0.000 0.789 553 S N -0.182 115.589 115.700 0.119 0.000 2.693 553 S HA 0.671 5.141 4.470 0.000 0.000 0.276 553 S C -0.622 174.145 174.600 0.279 0.000 1.192 553 S CA -0.040 58.330 58.200 0.284 0.000 0.994 553 S CB 1.730 65.125 63.200 0.325 0.000 1.012 553 S HN 0.829 nan 8.310 nan 0.000 0.550 554 Q N -0.041 119.949 119.800 0.317 0.000 2.709 554 Q HA 0.282 4.622 4.340 0.000 0.000 0.232 554 Q C -0.650 175.474 176.000 0.207 0.000 0.856 554 Q CA -0.569 55.403 55.803 0.282 0.000 0.788 554 Q CB 0.855 29.821 28.738 0.381 0.000 1.386 554 Q HN 0.665 nan 8.270 nan 0.000 0.453 555 K N 0.430 120.948 120.400 0.196 0.000 2.356 555 K HA 0.258 4.579 4.320 0.000 0.000 0.195 555 K C 0.099 176.796 176.600 0.162 0.000 1.037 555 K CA 0.448 56.837 56.287 0.169 0.000 1.014 555 K CB 0.958 33.584 32.500 0.209 0.000 0.815 555 K HN 0.471 nan 8.250 nan 0.000 0.507 556 A N 2.814 125.744 122.820 0.183 0.000 2.273 556 A HA 0.405 4.725 4.320 0.000 0.000 0.320 556 A C -0.740 176.913 177.584 0.114 0.000 1.358 556 A CA -0.572 51.577 52.037 0.186 0.000 0.910 556 A CB 0.082 19.258 19.000 0.293 0.000 1.159 556 A HN 0.268 nan 8.150 nan 0.000 0.526 557 D N 0.479 120.910 120.400 0.051 0.000 2.752 557 D HA 0.557 5.197 4.640 0.000 0.000 0.313 557 D C -0.049 176.228 176.300 -0.039 0.000 1.225 557 D CA 0.042 54.044 54.000 0.004 0.000 0.976 557 D CB 1.164 41.943 40.800 -0.035 0.000 1.443 557 D HN 0.304 nan 8.370 nan 0.000 0.515 558 A N -0.603 122.199 122.820 -0.031 0.000 2.577 558 A HA 0.668 4.988 4.320 0.000 0.000 0.280 558 A C 0.381 177.890 177.584 -0.126 0.000 1.331 558 A CA 0.055 52.082 52.037 -0.017 0.000 0.935 558 A CB -0.955 18.094 19.000 0.082 0.000 1.082 558 A HN 0.723 nan 8.150 nan 0.000 0.525 559 A N -0.202 122.407 122.820 -0.351 0.000 2.309 559 A HA 0.609 4.929 4.320 0.000 0.000 0.298 559 A C -0.415 177.095 177.584 -0.123 0.000 1.165 559 A CA -0.509 51.310 52.037 -0.363 0.000 0.821 559 A CB 0.119 18.704 19.000 -0.692 0.000 1.102 559 A HN 0.607 nan 8.150 nan 0.000 0.500 560 F N 2.544 122.404 119.950 -0.151 0.000 2.456 560 F HA 0.585 5.112 4.527 0.000 0.000 0.358 560 F C 0.516 176.274 175.800 -0.069 0.000 1.095 560 F CA 0.266 58.208 58.000 -0.097 0.000 1.216 560 F CB 0.477 39.430 39.000 -0.078 0.000 1.125 560 F HN 0.629 nan 8.300 nan 0.000 0.549 561 R N 5.467 125.343 120.500 -1.039 0.000 2.707 561 R HA 0.539 4.879 4.340 0.000 0.000 0.272 561 R C -1.656 174.152 176.300 -0.819 0.000 1.011 561 R CA -0.997 54.636 56.100 -0.778 0.000 0.893 561 R CB 1.963 32.068 30.300 -0.326 0.000 1.233 561 R HN 0.691 nan 8.270 nan 0.000 0.464 562 L N 3.880 124.834 121.223 -0.448 0.000 2.457 562 L HA 0.346 4.686 4.340 0.000 0.000 0.252 562 L C -0.796 176.124 176.870 0.085 0.000 1.132 562 L CA -0.682 54.025 54.840 -0.222 0.000 0.938 562 L CB 0.390 42.396 42.059 -0.088 0.000 1.246 562 L HN 0.689 nan 8.230 nan 0.000 0.476 563 N N -0.892 117.819 118.700 0.019 0.000 3.124 563 N HA 0.178 4.918 4.740 0.000 0.000 0.350 563 N C 0.433 175.703 175.510 -0.399 0.000 1.411 563 N CA -0.804 52.223 53.050 -0.039 0.000 0.729 563 N CB 0.150 38.652 38.487 0.024 0.000 1.379 563 N HN 0.244 nan 8.380 nan 0.000 0.599 564 W N 0.074 120.776 121.300 -0.997 0.000 2.425 564 W HA 0.243 4.903 4.660 0.000 0.000 0.277 564 W C 1.893 178.319 176.519 -0.155 0.000 1.231 564 W CA 1.894 58.749 57.345 -0.817 0.000 1.248 564 W CB -0.793 28.226 29.460 -0.735 0.000 1.117 564 W HN 0.643 nan 8.180 nan 0.000 0.568 565 A N -0.536 122.242 122.820 -0.071 0.000 1.969 565 A HA -0.153 4.167 4.320 0.000 0.000 0.218 565 A C 1.937 179.448 177.584 -0.122 0.000 1.169 565 A CA 2.198 54.162 52.037 -0.123 0.000 0.635 565 A CB -1.141 17.871 19.000 0.019 0.000 0.810 565 A HN 0.263 nan 8.150 nan 0.000 0.445 566 T N -1.306 113.221 114.554 -0.045 0.000 2.708 566 T HA -0.172 4.178 4.350 0.000 0.000 0.266 566 T C 1.805 176.598 174.700 0.155 0.000 1.037 566 T CA 1.660 63.758 62.100 -0.003 0.000 1.146 566 T CB -0.481 68.336 68.868 -0.084 0.000 0.865 566 T HN 0.646 nan 8.240 nan 0.000 0.435 567 Y N 2.133 122.524 120.300 0.150 0.000 2.128 567 Y HA -0.121 4.429 4.550 0.000 0.000 0.284 567 Y C 1.984 177.830 175.900 -0.091 0.000 1.154 567 Y CA 1.108 59.249 58.100 0.069 0.000 1.149 567 Y CB -0.760 37.666 38.460 -0.057 0.000 0.976 567 Y HN 0.119 nan 8.280 nan 0.000 0.505 568 L N -0.037 120.876 121.223 -0.518 0.000 2.079 568 L HA -0.266 4.074 4.340 0.000 0.000 0.210 568 L C 2.758 179.393 176.870 -0.392 0.000 1.081 568 L CA 1.401 55.862 54.840 -0.632 0.000 0.752 568 L CB -0.948 40.755 42.059 -0.594 0.000 0.896 568 L HN 0.448 nan 8.230 nan 0.000 0.433 569 A N -1.298 121.366 122.820 -0.261 0.000 1.861 569 A HA -0.153 4.167 4.320 0.000 0.000 0.212 569 A C 2.471 179.963 177.584 -0.153 0.000 1.199 569 A CA 1.381 53.304 52.037 -0.189 0.000 0.613 569 A CB -0.629 18.263 19.000 -0.180 0.000 0.846 569 A HN 0.308 nan 8.150 nan 0.000 0.446 570 S N -1.180 114.451 115.700 -0.116 0.000 2.419 570 S HA -0.105 4.365 4.470 0.000 0.000 0.233 570 S C 1.581 176.146 174.600 -0.059 0.000 1.016 570 S CA 2.246 60.412 58.200 -0.057 0.000 0.974 570 S CB -0.218 63.015 63.200 0.054 0.000 0.786 570 S HN 0.566 nan 8.310 nan 0.000 0.492 571 T N 0.065 114.523 114.554 -0.160 0.000 2.964 571 T HA 0.251 4.601 4.350 0.000 0.000 0.250 571 T C 1.097 175.686 174.700 -0.187 0.000 0.982 571 T CA -0.122 61.888 62.100 -0.150 0.000 0.959 571 T CB 0.202 68.993 68.868 -0.128 0.000 1.141 571 T HN 0.240 nan 8.240 nan 0.000 0.494 572 E N 1.635 121.655 120.200 -0.299 0.000 2.476 572 E HA 0.203 4.553 4.350 0.000 0.000 0.199 572 E C 0.073 176.627 176.600 -0.077 0.000 1.021 572 E CA -0.041 56.248 56.400 -0.184 0.000 0.907 572 E CB 0.102 29.652 29.700 -0.250 0.000 0.974 572 E HN 0.263 nan 8.360 nan 0.000 0.489 573 N N 0.740 119.402 118.700 -0.063 0.000 2.754 573 N HA -0.190 4.550 4.740 0.000 0.000 0.248 573 N C -0.609 174.946 175.510 0.074 0.000 1.093 573 N CA 0.669 53.753 53.050 0.056 0.000 0.699 573 N CB -1.523 37.048 38.487 0.140 0.000 1.016 573 N HN 0.279 nan 8.380 nan 0.000 0.552 574 I N 1.006 121.549 120.570 -0.044 0.000 2.412 574 I HA 0.340 4.511 4.170 0.000 0.000 0.296 574 I C 0.939 177.001 176.117 -0.092 0.000 0.987 574 I CA -0.670 60.605 61.300 -0.042 0.000 1.180 574 I CB 1.395 39.383 38.000 -0.020 0.000 1.340 574 I HN -0.071 nan 8.210 nan 0.000 0.455 575 I N 6.606 127.127 120.570 -0.081 0.000 2.337 575 I HA 0.160 4.330 4.170 0.000 0.000 0.291 575 I C -0.379 175.702 176.117 -0.061 0.000 1.046 575 I CA -0.473 60.741 61.300 -0.144 0.000 1.324 575 I CB 0.906 38.812 38.000 -0.156 0.000 1.409 575 I HN 0.211 nan 8.210 nan 0.000 0.494 576 V N 6.712 126.588 119.914 -0.063 0.000 2.364 576 V HA 0.626 4.746 4.120 0.000 0.000 0.272 576 V C 0.409 176.528 176.094 0.042 0.000 1.036 576 V CA -0.381 61.939 62.300 0.032 0.000 0.880 576 V CB 1.006 32.845 31.823 0.027 0.000 0.991 576 V HN 0.827 nan 8.190 nan 0.000 0.460 577 A N 4.016 126.896 122.820 0.100 0.000 2.401 577 A HA 0.905 5.225 4.320 0.000 0.000 0.310 577 A C -0.262 177.497 177.584 0.291 0.000 1.075 577 A CA -0.510 51.592 52.037 0.107 0.000 0.746 577 A CB 1.887 20.783 19.000 -0.173 0.000 1.277 577 A HN 0.659 nan 8.150 nan 0.000 0.425 578 S N 0.075 115.989 115.700 0.355 0.000 2.566 578 S HA 0.807 5.277 4.470 0.000 0.000 0.298 578 S C -1.360 173.606 174.600 0.611 0.000 1.083 578 S CA -0.295 58.156 58.200 0.419 0.000 0.978 578 S CB 1.291 64.674 63.200 0.306 0.000 1.073 578 S HN 0.800 nan 8.310 nan 0.000 0.491 579 F N 1.920 122.100 119.950 0.384 0.000 2.585 579 F HA 0.374 4.901 4.527 0.000 0.000 0.319 579 F C -1.526 174.461 175.800 0.312 0.000 1.165 579 F CA -0.804 57.438 58.000 0.402 0.000 0.949 579 F CB 1.281 40.469 39.000 0.314 0.000 1.218 579 F HN 0.393 nan 8.300 nan 0.000 0.453 580 D N 5.203 125.448 120.400 -0.258 0.000 2.441 580 D HA 0.321 4.961 4.640 0.000 0.000 0.221 580 D C 0.483 176.464 176.300 -0.532 0.000 1.156 580 D CA 0.249 54.130 54.000 -0.197 0.000 0.896 580 D CB 1.435 42.265 40.800 0.051 0.000 1.028 580 D HN 0.763 nan 8.370 nan 0.000 0.509 581 G N 1.602 110.141 108.800 -0.435 0.000 2.695 581 G HA2 0.255 4.215 3.960 0.000 0.000 0.213 581 G HA3 0.255 4.215 3.960 0.000 0.000 0.213 581 G C 0.275 175.137 174.900 -0.063 0.000 1.406 581 G CA -0.654 44.225 45.100 -0.369 0.000 1.049 581 G HN 0.292 nan 8.290 nan 0.000 0.573 582 R N -0.770 119.682 120.500 -0.081 0.000 2.679 582 R HA 0.376 4.716 4.340 0.000 0.000 0.268 582 R C 1.192 177.524 176.300 0.053 0.000 1.044 582 R CA 1.240 57.378 56.100 0.063 0.000 1.105 582 R CB 0.395 30.718 30.300 0.039 0.000 0.989 582 R HN 1.067 nan 8.270 nan 0.000 0.447 583 G N 0.897 109.738 108.800 0.069 0.000 2.148 583 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 583 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 583 G C 0.146 175.049 174.900 0.004 0.000 0.981 583 G CA 0.509 45.637 45.100 0.046 0.000 0.670 583 G HN 0.717 nan 8.290 nan 0.000 0.528 584 S N -0.720 114.995 115.700 0.025 0.000 2.677 584 S HA 0.856 5.326 4.470 0.000 0.000 0.290 584 S C 1.745 176.336 174.600 -0.016 0.000 1.124 584 S CA 0.400 58.610 58.200 0.017 0.000 1.017 584 S CB 1.105 64.339 63.200 0.057 0.000 1.215 584 S HN 2.015 nan 8.310 nan 0.000 0.524 585 G N 0.308 109.127 108.800 0.032 0.000 2.475 585 G HA2 -0.231 3.729 3.960 0.000 0.000 1.007 585 G HA3 -0.231 3.729 3.960 0.000 0.000 1.007 585 G C -0.607 174.128 174.900 -0.276 0.000 1.361 585 G CA 1.093 46.211 45.100 0.028 0.000 0.856 585 G HN 0.883 nan 8.290 nan 0.000 0.569 586 Y N 0.527 120.852 120.300 0.042 0.000 2.806 586 Y HA 0.535 5.085 4.550 0.000 0.000 0.364 586 Y C 1.010 176.896 175.900 -0.023 0.000 1.101 586 Y CA -0.396 57.711 58.100 0.011 0.000 1.256 586 Y CB 0.576 39.069 38.460 0.054 0.000 1.363 586 Y HN 0.384 nan 8.280 nan 0.000 0.592 587 Q N 0.763 120.549 119.800 -0.023 0.000 2.106 587 Q HA 0.466 4.806 4.340 0.000 0.000 0.273 587 Q C 0.396 176.190 176.000 -0.342 0.000 0.853 587 Q CA -0.239 55.533 55.803 -0.051 0.000 1.118 587 Q CB 1.488 30.229 28.738 0.005 0.000 1.240 587 Q HN 0.667 nan 8.270 nan 0.000 0.445 588 G N 0.702 109.163 108.800 -0.565 0.000 2.712 588 G HA2 -0.190 3.770 3.960 0.000 0.000 0.686 588 G HA3 -0.190 3.770 3.960 0.000 0.000 0.686 588 G C -0.358 174.167 174.900 -0.625 0.000 1.321 588 G CA -0.552 43.978 45.100 -0.950 0.000 0.813 588 G HN 0.204 nan 8.290 nan 0.000 0.599 589 D N 0.111 120.112 120.400 -0.666 0.000 2.269 589 D HA -0.055 4.585 4.640 0.000 0.000 0.208 589 D C 2.150 178.165 176.300 -0.476 0.000 0.963 589 D CA 1.129 54.683 54.000 -0.743 0.000 0.864 589 D CB 0.049 40.313 40.800 -0.893 0.000 0.936 589 D HN 0.586 nan 8.370 nan 0.000 0.505 590 K N 0.852 121.043 120.400 -0.348 0.000 2.009 590 K HA -0.139 4.181 4.320 0.000 0.000 0.210 590 K C 2.141 178.678 176.600 -0.105 0.000 1.049 590 K CA 0.939 57.120 56.287 -0.176 0.000 0.929 590 K CB -0.117 32.306 32.500 -0.129 0.000 0.714 590 K HN 0.100 nan 8.250 nan 0.000 0.440 591 I N 0.534 121.031 120.570 -0.121 0.000 2.233 591 I HA -0.266 3.904 4.170 0.000 0.000 0.243 591 I C 2.709 178.818 176.117 -0.013 0.000 1.093 591 I CA 1.002 62.296 61.300 -0.009 0.000 1.380 591 I CB -0.117 37.889 38.000 0.010 0.000 1.067 591 I HN 0.351 nan 8.210 nan 0.000 0.413 592 M N 0.113 119.643 119.600 -0.117 0.000 2.077 592 M HA -0.231 4.249 4.480 0.000 0.000 0.261 592 M C 2.210 178.562 176.300 0.087 0.000 1.070 592 M CA 1.888 57.152 55.300 -0.059 0.000 1.125 592 M CB -0.299 32.191 32.600 -0.184 0.000 1.339 592 M HN 0.214 nan 8.290 nan 0.000 0.409 593 H N 0.225 119.183 119.070 -0.187 0.000 2.559 593 H HA 0.155 4.711 4.556 0.000 0.000 0.273 593 H C 1.918 177.237 175.328 -0.015 0.000 1.000 593 H CA 0.834 56.760 56.048 -0.204 0.000 1.195 593 H CB -0.738 28.805 29.762 -0.365 0.000 1.368 593 H HN 0.527 nan 8.280 nan 0.000 0.592 594 A N 0.441 123.330 122.820 0.115 0.000 2.084 594 A HA -0.137 4.183 4.320 0.000 0.000 0.221 594 A C 2.245 179.892 177.584 0.105 0.000 1.161 594 A CA 1.148 53.242 52.037 0.094 0.000 0.653 594 A CB -0.580 18.471 19.000 0.086 0.000 0.802 594 A HN 0.418 nan 8.150 nan 0.000 0.457 595 I N -0.872 119.780 120.570 0.136 0.000 3.883 595 I HA 0.001 4.171 4.170 0.000 0.000 0.326 595 I C 0.561 176.757 176.117 0.133 0.000 1.283 595 I CA -0.379 60.986 61.300 0.109 0.000 1.161 595 I CB -0.206 37.831 38.000 0.062 0.000 1.012 595 I HN 0.299 nan 8.210 nan 0.000 0.421 596 N N 2.241 121.073 118.700 0.219 0.000 2.232 596 N HA -0.192 4.548 4.740 0.000 0.000 0.251 596 N C 0.660 176.247 175.510 0.128 0.000 1.242 596 N CA 0.962 54.155 53.050 0.238 0.000 0.837 596 N CB 0.375 38.964 38.487 0.169 0.000 1.079 596 N HN -0.007 nan 8.380 nan 0.000 0.461 597 K N -0.463 119.988 120.400 0.085 0.000 3.363 597 K HA -0.255 4.065 4.320 0.000 0.000 0.313 597 K C -0.697 176.007 176.600 0.173 0.000 1.259 597 K CA 1.585 57.912 56.287 0.067 0.000 0.942 597 K CB -1.341 31.191 32.500 0.053 0.000 1.229 597 K HN 0.883 nan 8.250 nan 0.000 0.440 598 R N -0.646 119.916 120.500 0.103 0.000 2.924 598 R HA 0.390 4.730 4.340 0.000 0.000 0.233 598 R C -0.139 176.164 176.300 0.005 0.000 1.685 598 R CA -0.481 55.668 56.100 0.083 0.000 1.462 598 R CB -0.383 29.968 30.300 0.085 0.000 1.542 598 R HN -0.063 nan 8.270 nan 0.000 0.667 599 L N 1.080 122.270 121.223 -0.055 0.000 2.472 599 L HA 0.597 4.937 4.340 0.000 0.000 0.260 599 L C 1.221 178.227 176.870 0.227 0.000 1.209 599 L CA 0.249 55.113 54.840 0.040 0.000 0.817 599 L CB 0.582 42.546 42.059 -0.159 0.000 1.106 599 L HN 0.863 nan 8.230 nan 0.000 0.479 600 G N 0.503 109.517 108.800 0.356 0.000 2.198 600 G HA2 -0.226 3.734 3.960 0.000 0.000 0.257 600 G HA3 -0.226 3.734 3.960 0.000 0.000 0.257 600 G C 0.233 175.168 174.900 0.058 0.000 1.042 600 G CA 0.432 45.669 45.100 0.228 0.000 0.791 600 G HN 0.725 nan 8.290 nan 0.000 0.502 601 T N -0.673 113.912 114.554 0.052 0.000 2.206 601 T HA 0.356 4.706 4.350 0.000 0.000 0.168 601 T C 2.313 177.017 174.700 0.007 0.000 0.753 601 T CA 0.242 62.346 62.100 0.005 0.000 1.041 601 T CB -0.141 68.724 68.868 -0.006 0.000 2.919 601 T HN 0.072 nan 8.240 nan 0.000 0.392 602 L N 2.117 123.350 121.223 0.016 0.000 2.013 602 L HA -0.137 4.203 4.340 0.000 0.000 0.212 602 L C 2.912 179.794 176.870 0.021 0.000 1.073 602 L CA 1.831 56.678 54.840 0.013 0.000 0.753 602 L CB -0.883 41.189 42.059 0.021 0.000 0.890 602 L HN 0.608 nan 8.230 nan 0.000 0.432 603 E N 0.720 120.949 120.200 0.048 0.000 2.204 603 E HA -0.162 4.188 4.350 0.000 0.000 0.195 603 E C 2.041 178.684 176.600 0.071 0.000 0.990 603 E CA 1.600 58.043 56.400 0.072 0.000 0.821 603 E CB -0.579 29.186 29.700 0.109 0.000 0.750 603 E HN 0.401 nan 8.360 nan 0.000 0.477 604 V N 1.642 121.575 119.914 0.031 0.000 2.273 604 V HA -0.197 3.923 4.120 0.000 0.000 0.242 604 V C 2.376 178.458 176.094 -0.020 0.000 1.035 604 V CA 1.967 64.254 62.300 -0.023 0.000 1.013 604 V CB -0.631 31.136 31.823 -0.093 0.000 0.652 604 V HN 0.190 nan 8.190 nan 0.000 0.452 605 E N 0.515 120.701 120.200 -0.023 0.000 2.033 605 E HA -0.294 4.056 4.350 0.000 0.000 0.199 605 E C 1.935 178.517 176.600 -0.030 0.000 1.011 605 E CA 1.808 58.191 56.400 -0.028 0.000 0.815 605 E CB -0.350 29.332 29.700 -0.030 0.000 0.755 605 E HN 0.557 nan 8.360 nan 0.000 0.451 606 D N 0.200 120.590 120.400 -0.016 0.000 2.228 606 D HA -0.187 4.453 4.640 0.000 0.000 0.203 606 D C 1.914 178.219 176.300 0.008 0.000 0.988 606 D CA 1.058 55.054 54.000 -0.006 0.000 0.864 606 D CB -0.201 40.629 40.800 0.050 0.000 0.928 606 D HN 0.073 nan 8.370 nan 0.000 0.469 607 Q N -0.128 119.714 119.800 0.070 0.000 2.123 607 Q HA 0.040 4.380 4.340 0.000 0.000 0.199 607 Q C 2.113 178.124 176.000 0.019 0.000 0.966 607 Q CA 0.708 56.570 55.803 0.097 0.000 0.845 607 Q CB -0.047 28.764 28.738 0.121 0.000 0.907 607 Q HN 0.344 nan 8.270 nan 0.000 0.439 608 I N -0.020 120.567 120.570 0.028 0.000 2.233 608 I HA -0.199 3.971 4.170 0.000 0.000 0.243 608 I C 2.182 178.238 176.117 -0.102 0.000 1.093 608 I CA 0.834 62.186 61.300 0.087 0.000 1.380 608 I CB -0.278 37.770 38.000 0.080 0.000 1.067 608 I HN 0.192 nan 8.210 nan 0.000 0.413 609 E N 1.351 121.447 120.200 -0.174 0.000 2.070 609 E HA -0.246 4.104 4.350 0.000 0.000 0.197 609 E C 2.271 178.586 176.600 -0.476 0.000 1.004 609 E CA 1.808 58.050 56.400 -0.263 0.000 0.805 609 E CB -0.294 29.266 29.700 -0.232 0.000 0.744 609 E HN 0.460 nan 8.360 nan 0.000 0.451 610 A N 0.801 123.169 122.820 -0.753 0.000 1.978 610 A HA -0.123 4.197 4.320 0.000 0.000 0.220 610 A C 2.378 179.211 177.584 -1.252 0.000 1.170 610 A CA 2.251 53.502 52.037 -1.309 0.000 0.636 610 A CB -0.573 17.202 19.000 -2.042 0.000 0.810 610 A HN 0.302 nan 8.150 nan 0.000 0.448 611 A N -0.312 122.123 122.820 -0.641 0.000 1.930 611 A HA -0.121 4.199 4.320 0.000 0.000 0.217 611 A C 2.244 179.617 177.584 -0.352 0.000 1.175 611 A CA 1.229 53.043 52.037 -0.371 0.000 0.627 611 A CB -0.423 18.456 19.000 -0.202 0.000 0.815 611 A HN 0.482 nan 8.150 nan 0.000 0.443 612 R N -0.524 119.773 120.500 -0.339 0.000 2.080 612 R HA -0.139 4.201 4.340 0.000 0.000 0.236 612 R C 2.210 178.351 176.300 -0.266 0.000 1.137 612 R CA 1.484 57.429 56.100 -0.258 0.000 0.943 612 R CB -0.602 29.571 30.300 -0.212 0.000 0.846 612 R HN 0.547 nan 8.270 nan 0.000 0.431 613 Q N 0.033 119.611 119.800 -0.369 0.000 2.135 613 Q HA -0.100 4.240 4.340 0.000 0.000 0.204 613 Q C 2.119 177.979 176.000 -0.234 0.000 0.981 613 Q CA 1.447 57.053 55.803 -0.328 0.000 0.856 613 Q CB -0.350 28.125 28.738 -0.438 0.000 0.902 613 Q HN 0.462 nan 8.270 nan 0.000 0.425 614 F N 0.142 119.899 119.950 -0.321 0.000 2.186 614 F HA -0.142 4.385 4.527 0.000 0.000 0.299 614 F C 2.257 177.826 175.800 -0.385 0.000 1.090 614 F CA 0.124 57.905 58.000 -0.364 0.000 1.307 614 F CB -0.100 38.710 39.000 -0.318 0.000 1.019 614 F HN 0.025 nan 8.300 nan 0.000 0.489 615 L N 0.217 121.368 121.223 -0.120 0.000 2.046 615 L HA -0.230 4.110 4.340 0.000 0.000 0.208 615 L C 2.232 178.995 176.870 -0.179 0.000 1.077 615 L CA 1.454 56.191 54.840 -0.172 0.000 0.747 615 L CB -0.567 41.398 42.059 -0.156 0.000 0.896 615 L HN 0.058 nan 8.230 nan 0.000 0.432 616 K N -0.273 120.035 120.400 -0.152 0.000 2.360 616 K HA -0.109 4.211 4.320 0.000 0.000 0.201 616 K C 1.811 178.337 176.600 -0.123 0.000 1.046 616 K CA 1.012 57.227 56.287 -0.120 0.000 0.945 616 K CB -0.078 32.361 32.500 -0.101 0.000 0.750 616 K HN 0.331 nan 8.250 nan 0.000 0.464 617 M N -0.290 119.196 119.600 -0.190 0.000 2.722 617 M HA -0.029 4.451 4.480 0.000 0.000 0.238 617 M C 1.277 177.416 176.300 -0.269 0.000 1.098 617 M CA 0.714 55.890 55.300 -0.206 0.000 1.062 617 M CB 0.030 32.458 32.600 -0.287 0.000 1.573 617 M HN 0.479 nan 8.290 nan 0.000 0.531 618 G N 1.444 110.107 108.800 -0.227 0.000 3.078 618 G HA2 -0.370 3.590 3.960 0.000 0.000 0.227 618 G HA3 -0.370 3.590 3.960 0.000 0.000 0.227 618 G C 0.531 175.386 174.900 -0.075 0.000 1.306 618 G CA 0.624 45.659 45.100 -0.107 0.000 0.841 618 G HN 0.646 nan 8.290 nan 0.000 0.530 619 F N 1.658 121.670 119.950 0.103 0.000 2.716 619 F HA 0.679 5.206 4.527 0.000 0.000 0.301 619 F C 0.338 176.257 175.800 0.199 0.000 1.210 619 F CA -0.517 57.592 58.000 0.182 0.000 1.422 619 F CB -0.209 38.989 39.000 0.331 0.000 1.073 619 F HN 0.148 nan 8.300 nan 0.000 0.525 620 V N 1.304 121.171 119.914 -0.078 0.000 2.417 620 V HA 0.123 4.243 4.120 0.000 0.000 0.291 620 V C -0.268 175.798 176.094 -0.047 0.000 1.024 620 V CA -0.973 61.303 62.300 -0.041 0.000 0.861 620 V CB 1.513 33.241 31.823 -0.158 0.000 0.985 620 V HN 0.119 nan 8.190 nan 0.000 0.436 621 D N 3.655 124.032 120.400 -0.038 0.000 2.455 621 D HA 0.003 4.643 4.640 0.000 0.000 0.234 621 D C 1.615 177.861 176.300 -0.090 0.000 1.224 621 D CA 0.555 54.511 54.000 -0.075 0.000 0.999 621 D CB 0.924 41.660 40.800 -0.107 0.000 1.072 621 D HN 0.718 nan 8.370 nan 0.000 0.514 622 S N 3.554 119.203 115.700 -0.086 0.000 2.428 622 S HA -0.217 4.253 4.470 0.000 0.000 0.240 622 S C 1.472 176.030 174.600 -0.071 0.000 1.036 622 S CA 0.822 58.967 58.200 -0.093 0.000 1.009 622 S CB -0.066 63.079 63.200 -0.091 0.000 0.803 622 S HN 0.280 nan 8.310 nan 0.000 0.486 623 K N 0.796 121.163 120.400 -0.055 0.000 2.525 623 K HA 0.234 4.554 4.320 0.000 0.000 0.192 623 K C 0.219 176.823 176.600 0.006 0.000 1.029 623 K CA 0.246 56.518 56.287 -0.025 0.000 1.029 623 K CB -0.055 32.430 32.500 -0.024 0.000 0.814 623 K HN 0.425 nan 8.250 nan 0.000 0.503 624 R N 0.069 120.556 120.500 -0.022 0.000 2.837 624 R HA 0.219 4.559 4.340 0.000 0.000 0.245 624 R C -1.529 174.787 176.300 0.027 0.000 1.712 624 R CA -0.124 55.992 56.100 0.027 0.000 1.539 624 R CB 1.131 31.312 30.300 -0.197 0.000 1.490 624 R HN -0.223 nan 8.270 nan 0.000 0.667 625 V N 1.292 121.327 119.914 0.202 0.000 2.448 625 V HA 0.869 4.989 4.120 0.000 0.000 0.295 625 V C -0.119 176.233 176.094 0.430 0.000 1.025 625 V CA -0.708 61.711 62.300 0.198 0.000 0.859 625 V CB 1.676 33.423 31.823 -0.126 0.000 0.988 625 V HN 0.604 nan 8.190 nan 0.000 0.431 626 A N 4.997 128.171 122.820 0.591 0.000 2.437 626 A HA 1.001 5.321 4.320 0.000 0.000 0.292 626 A C -1.099 176.863 177.584 0.628 0.000 1.173 626 A CA -0.759 51.612 52.037 0.557 0.000 0.785 626 A CB 1.872 21.043 19.000 0.284 0.000 1.351 626 A HN 0.908 nan 8.150 nan 0.000 0.431 627 I N 0.506 121.356 120.570 0.467 0.000 2.680 627 I HA 0.628 4.798 4.170 0.000 0.000 0.291 627 I C -1.871 174.493 176.117 0.412 0.000 1.244 627 I CA -0.530 60.987 61.300 0.362 0.000 1.042 627 I CB 1.460 39.419 38.000 -0.068 0.000 1.277 627 I HN 0.945 nan 8.210 nan 0.000 0.423 628 W N 7.164 128.595 121.300 0.219 0.000 3.062 628 W HA 0.912 5.572 4.660 0.000 0.000 0.336 628 W C -1.295 175.368 176.519 0.241 0.000 1.224 628 W CA -1.137 56.342 57.345 0.222 0.000 1.159 628 W CB 1.161 30.799 29.460 0.298 0.000 1.454 628 W HN 0.820 nan 8.180 nan 0.000 0.569 629 G N 0.211 108.942 108.800 -0.115 0.000 2.547 629 G HA2 0.417 4.377 3.960 0.000 0.000 0.291 629 G HA3 0.417 4.377 3.960 0.000 0.000 0.291 629 G C -2.728 172.113 174.900 -0.098 0.000 1.471 629 G CA -0.773 44.120 45.100 -0.345 0.000 0.798 629 G HN 0.617 nan 8.290 nan 0.000 0.504 630 W N 0.908 122.093 121.300 -0.193 0.000 2.706 630 W HA 0.594 5.254 4.660 0.000 0.000 0.346 630 W C 1.100 177.673 176.519 0.090 0.000 1.071 630 W CA 0.475 57.790 57.345 -0.051 0.000 1.206 630 W CB 2.037 31.453 29.460 -0.074 0.000 1.413 630 W HN 1.197 nan 8.180 nan 0.000 0.542 631 S N 2.199 118.163 115.700 0.438 0.000 4.137 631 S HA -0.445 4.025 4.470 0.000 0.000 0.541 631 S C 1.336 176.040 174.600 0.174 0.000 1.855 631 S CA 2.271 60.700 58.200 0.381 0.000 4.197 631 S CB -1.867 61.690 63.200 0.595 0.000 0.627 631 S HN 0.689 nan 8.310 nan 0.000 0.490 632 Y N 2.231 122.535 120.300 0.006 0.000 2.207 632 Y HA -0.005 4.545 4.550 0.000 0.000 0.287 632 Y C 2.494 178.381 175.900 -0.022 0.000 1.156 632 Y CA 2.471 60.495 58.100 -0.127 0.000 1.182 632 Y CB -1.043 37.127 38.460 -0.484 0.000 0.979 632 Y HN 0.542 nan 8.280 nan 0.000 0.521 633 G N -0.993 107.933 108.800 0.210 0.000 2.422 633 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 633 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 633 G C 1.859 176.815 174.900 0.093 0.000 1.146 633 G CA 0.768 45.987 45.100 0.199 0.000 0.769 633 G HN 0.565 nan 8.290 nan 0.000 0.547 634 G N -0.432 108.417 108.800 0.082 0.000 2.421 634 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 634 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 634 G C 1.556 176.482 174.900 0.043 0.000 1.143 634 G CA 1.008 46.133 45.100 0.041 0.000 0.784 634 G HN 0.419 nan 8.290 nan 0.000 0.541 635 Y N 1.580 121.785 120.300 -0.159 0.000 2.089 635 Y HA -0.136 4.414 4.550 0.000 0.000 0.282 635 Y C 2.729 178.526 175.900 -0.172 0.000 1.139 635 Y CA 1.632 59.580 58.100 -0.253 0.000 1.123 635 Y CB -0.560 37.593 38.460 -0.511 0.000 0.980 635 Y HN 0.022 nan 8.280 nan 0.000 0.493 636 V N -0.170 119.612 119.914 -0.219 0.000 2.343 636 V HA -0.327 3.793 4.120 0.000 0.000 0.247 636 V C 2.332 178.299 176.094 -0.211 0.000 1.051 636 V CA 2.361 64.503 62.300 -0.263 0.000 1.036 636 V CB -1.316 30.494 31.823 -0.021 0.000 0.654 636 V HN 0.495 nan 8.190 nan 0.000 0.451 637 T N 0.177 114.669 114.554 -0.103 0.000 2.607 637 T HA -0.234 4.116 4.350 0.000 0.000 0.267 637 T C 2.145 176.757 174.700 -0.148 0.000 1.049 637 T CA 2.188 64.234 62.100 -0.091 0.000 1.162 637 T CB -0.360 68.541 68.868 0.054 0.000 0.863 637 T HN 0.541 nan 8.240 nan 0.000 0.424 638 S N 1.033 116.688 115.700 -0.075 0.000 2.370 638 S HA -0.036 4.434 4.470 0.000 0.000 0.226 638 S C 2.112 176.614 174.600 -0.165 0.000 1.033 638 S CA 1.002 59.167 58.200 -0.059 0.000 1.011 638 S CB -0.311 62.918 63.200 0.049 0.000 0.852 638 S HN 0.333 nan 8.310 nan 0.000 0.457 639 M N 0.725 120.140 119.600 -0.309 0.000 2.296 639 M HA -0.012 4.468 4.480 0.000 0.000 0.265 639 M C 2.080 178.204 176.300 -0.293 0.000 1.064 639 M CA 0.958 56.053 55.300 -0.343 0.000 1.109 639 M CB -1.056 31.208 32.600 -0.561 0.000 1.396 639 M HN 0.202 nan 8.290 nan 0.000 0.430 640 V N 0.377 120.097 119.914 -0.325 0.000 2.302 640 V HA -0.194 3.926 4.120 0.000 0.000 0.243 640 V C 2.441 178.291 176.094 -0.406 0.000 1.036 640 V CA 1.112 63.203 62.300 -0.348 0.000 1.020 640 V CB -0.527 31.017 31.823 -0.466 0.000 0.657 640 V HN 0.374 nan 8.190 nan 0.000 0.453 641 L N 0.662 121.581 121.223 -0.508 0.000 2.079 641 L HA -0.117 4.223 4.340 0.000 0.000 0.210 641 L C 2.271 178.600 176.870 -0.903 0.000 1.081 641 L CA 1.750 56.196 54.840 -0.657 0.000 0.752 641 L CB -0.900 40.696 42.059 -0.771 0.000 0.896 641 L HN 0.508 nan 8.230 nan 0.000 0.433 642 G N -1.224 107.042 108.800 -0.890 0.000 3.181 642 G HA2 -0.059 3.901 3.960 0.000 0.000 0.219 642 G HA3 -0.059 3.901 3.960 0.000 0.000 0.219 642 G C 1.482 176.239 174.900 -0.237 0.000 1.182 642 G CA 0.599 45.346 45.100 -0.588 0.000 0.791 642 G HN 0.466 nan 8.290 nan 0.000 0.537 643 S N -0.708 114.850 115.700 -0.236 0.000 2.528 643 S HA 0.286 4.756 4.470 0.000 0.000 0.219 643 S C 1.964 176.508 174.600 -0.093 0.000 0.985 643 S CA 0.911 59.032 58.200 -0.131 0.000 0.914 643 S CB -0.122 63.008 63.200 -0.116 0.000 0.776 643 S HN 1.286 nan 8.310 nan 0.000 0.526 644 G N 1.811 110.542 108.800 -0.115 0.000 2.233 644 G HA2 -0.354 3.606 3.960 0.000 0.000 0.270 644 G HA3 -0.354 3.606 3.960 0.000 0.000 0.270 644 G C 0.898 175.779 174.900 -0.032 0.000 1.011 644 G CA 0.869 45.929 45.100 -0.066 0.000 0.762 644 G HN 1.319 nan 8.290 nan 0.000 0.511 645 S N -0.875 114.815 115.700 -0.018 0.000 2.507 645 S HA 0.297 4.767 4.470 0.000 0.000 0.235 645 S C 2.529 177.139 174.600 0.016 0.000 0.988 645 S CA 1.414 59.619 58.200 0.009 0.000 0.944 645 S CB -0.233 62.994 63.200 0.046 0.000 0.762 645 S HN 2.364 nan 8.310 nan 0.000 0.526 646 G N 0.346 109.160 108.800 0.022 0.000 2.257 646 G HA2 -0.343 3.617 3.960 0.000 0.000 0.267 646 G HA3 -0.343 3.617 3.960 0.000 0.000 0.267 646 G C 0.852 175.760 174.900 0.013 0.000 0.984 646 G CA 0.520 45.629 45.100 0.016 0.000 0.626 646 G HN 0.772 nan 8.290 nan 0.000 0.540 647 V N -0.426 119.499 119.914 0.019 0.000 2.759 647 V HA 0.209 4.329 4.120 0.000 0.000 0.256 647 V C 1.100 177.016 176.094 -0.297 0.000 1.080 647 V CA 1.566 63.777 62.300 -0.149 0.000 1.101 647 V CB -0.491 31.190 31.823 -0.237 0.000 0.698 647 V HN 0.323 nan 8.190 nan 0.000 0.477 648 F N -0.736 119.213 119.950 -0.001 0.000 2.508 648 F HA 0.459 4.986 4.527 0.000 0.000 0.325 648 F C 0.936 176.762 175.800 0.043 0.000 1.090 648 F CA -0.987 57.035 58.000 0.038 0.000 0.945 648 F CB 1.768 40.791 39.000 0.038 0.000 1.156 648 F HN -0.333 nan 8.300 nan 0.000 0.463 649 K N 1.123 121.681 120.400 0.263 0.000 2.078 649 K HA 0.129 4.449 4.320 0.000 0.000 0.203 649 K C 0.021 176.731 176.600 0.182 0.000 1.043 649 K CA 1.017 57.414 56.287 0.183 0.000 0.960 649 K CB 0.233 32.843 32.500 0.183 0.000 0.761 649 K HN 0.796 nan 8.250 nan 0.000 0.448 650 c N -2.088 116.643 118.600 0.220 0.000 3.213 650 c HA 0.945 5.515 4.570 0.000 0.000 0.319 650 c C -0.015 174.274 174.090 0.331 0.000 1.386 650 c CA -0.643 55.842 56.329 0.261 0.000 1.494 650 c CB 1.020 43.615 42.510 0.142 0.000 1.905 650 c HN 0.444 nan 8.230 nan 0.000 0.456 651 G N -0.234 108.834 108.800 0.448 0.000 2.632 651 G HA2 0.680 4.640 3.960 0.000 0.000 0.292 651 G HA3 0.680 4.640 3.960 0.000 0.000 0.292 651 G C -1.945 173.179 174.900 0.373 0.000 1.465 651 G CA -0.640 44.690 45.100 0.384 0.000 0.824 651 G HN 0.940 nan 8.290 nan 0.000 0.509 652 I N 0.645 121.406 120.570 0.319 0.000 2.466 652 I HA 0.636 4.806 4.170 0.000 0.000 0.289 652 I C 0.068 176.315 176.117 0.216 0.000 1.026 652 I CA -1.037 60.343 61.300 0.134 0.000 1.078 652 I CB 2.307 40.368 38.000 0.102 0.000 1.249 652 I HN 0.672 nan 8.210 nan 0.000 0.429 653 A N 6.395 129.250 122.820 0.057 0.000 2.311 653 A HA 0.761 5.081 4.320 0.000 0.000 0.306 653 A C -0.792 176.696 177.584 -0.160 0.000 1.189 653 A CA -0.511 51.548 52.037 0.037 0.000 0.791 653 A CB 1.162 20.255 19.000 0.155 0.000 1.172 653 A HN 0.434 nan 8.150 nan 0.000 0.481 654 V N 2.114 121.860 119.914 -0.279 0.000 2.398 654 V HA 0.567 4.687 4.120 0.000 0.000 0.286 654 V C 0.982 176.675 176.094 -0.669 0.000 1.026 654 V CA 0.313 62.225 62.300 -0.647 0.000 0.868 654 V CB 0.757 31.800 31.823 -1.300 0.000 0.982 654 V HN 2.096 nan 8.190 nan 0.000 0.443 655 A N 5.740 128.155 122.820 -0.675 0.000 2.415 655 A HA -0.106 4.215 4.320 0.000 0.000 0.292 655 A C -1.694 175.743 177.584 -0.244 0.000 1.452 655 A CA 0.436 52.004 52.037 -0.782 0.000 0.750 655 A CB -1.524 17.136 19.000 -0.567 0.000 1.099 655 A HN 0.632 nan 8.150 nan 0.000 0.391 656 P HA 0.479 nan 4.420 nan 0.000 0.278 656 P C -0.081 177.183 177.300 -0.061 0.000 1.266 656 P CA -0.343 62.728 63.100 -0.048 0.000 0.807 656 P CB 1.296 32.993 31.700 -0.005 0.000 1.094 657 V N 1.389 121.179 119.914 -0.207 0.000 2.481 657 V HA 0.144 4.264 4.120 0.000 0.000 0.286 657 V C 1.558 177.445 176.094 -0.346 0.000 1.042 657 V CA 0.363 62.399 62.300 -0.440 0.000 0.928 657 V CB 1.090 32.287 31.823 -1.043 0.000 0.986 657 V HN 0.768 nan 8.190 nan 0.000 0.462 658 S N 4.040 119.584 115.700 -0.261 0.000 2.514 658 S HA 0.242 4.712 4.470 0.000 0.000 0.223 658 S C 0.493 174.907 174.600 -0.311 0.000 1.046 658 S CA -0.387 57.717 58.200 -0.160 0.000 0.914 658 S CB 0.244 63.428 63.200 -0.027 0.000 0.807 658 S HN 0.838 nan 8.310 nan 0.000 0.497 659 R N -1.234 118.928 120.500 -0.563 0.000 2.579 659 R HA 0.334 4.674 4.340 0.000 0.000 0.260 659 R C -1.075 174.848 176.300 -0.628 0.000 1.103 659 R CA -0.915 54.814 56.100 -0.619 0.000 0.942 659 R CB -0.199 29.753 30.300 -0.580 0.000 1.251 659 R HN 0.149 nan 8.270 nan 0.000 0.450 660 W N 1.532 122.734 121.300 -0.163 0.000 2.424 660 W HA -0.054 4.606 4.660 0.000 0.000 0.264 660 W C 1.195 177.853 176.519 0.232 0.000 1.229 660 W CA 0.895 58.236 57.345 -0.006 0.000 1.208 660 W CB 0.103 29.453 29.460 -0.183 0.000 1.127 660 W HN 0.740 nan 8.180 nan 0.000 0.588 661 E N -1.051 119.335 120.200 0.309 0.000 2.268 661 E HA -0.192 4.158 4.350 0.000 0.000 0.195 661 E C 1.510 178.315 176.600 0.341 0.000 0.995 661 E CA 1.008 57.574 56.400 0.277 0.000 0.836 661 E CB -0.359 29.409 29.700 0.114 0.000 0.763 661 E HN 0.336 nan 8.360 nan 0.000 0.491 662 Y N -1.181 119.234 120.300 0.193 0.000 2.395 662 Y HA 0.008 4.558 4.550 0.000 0.000 0.293 662 Y C 0.851 176.905 175.900 0.257 0.000 1.123 662 Y CA -0.203 57.993 58.100 0.159 0.000 1.227 662 Y CB -0.668 37.827 38.460 0.059 0.000 1.012 662 Y HN 0.035 nan 8.280 nan 0.000 0.552 663 Y N 2.221 122.711 120.300 0.316 0.000 2.298 663 Y HA 0.225 4.775 4.550 0.000 0.000 0.329 663 Y C 0.570 176.726 175.900 0.427 0.000 1.293 663 Y CA -1.872 56.434 58.100 0.343 0.000 1.388 663 Y CB 0.209 38.904 38.460 0.391 0.000 1.309 663 Y HN 0.218 nan 8.280 nan 0.000 0.544 664 D N -0.327 119.844 120.400 -0.383 0.000 2.362 664 D HA 0.041 4.682 4.640 0.000 0.000 0.238 664 D C 0.919 177.201 176.300 -0.029 0.000 1.212 664 D CA 0.484 54.307 54.000 -0.295 0.000 0.902 664 D CB 0.706 41.086 40.800 -0.700 0.000 1.180 664 D HN 0.478 nan 8.370 nan 0.000 0.445 665 S N 0.759 116.447 115.700 -0.020 0.000 2.338 665 S HA -0.199 4.271 4.470 0.000 0.000 0.218 665 S C 2.073 176.687 174.600 0.022 0.000 1.032 665 S CA 1.117 59.353 58.200 0.059 0.000 0.999 665 S CB -1.116 62.130 63.200 0.076 0.000 0.905 665 S HN 0.434 nan 8.310 nan 0.000 0.439 666 V N 0.964 120.838 119.914 -0.066 0.000 2.317 666 V HA -0.222 3.898 4.120 0.000 0.000 0.251 666 V C 2.281 178.250 176.094 -0.207 0.000 1.065 666 V CA 2.383 64.532 62.300 -0.251 0.000 1.049 666 V CB -1.103 30.433 31.823 -0.478 0.000 0.651 666 V HN 0.578 nan 8.190 nan 0.000 0.450 667 Y N 1.267 121.496 120.300 -0.118 0.000 2.138 667 Y HA -0.191 4.359 4.550 0.000 0.000 0.286 667 Y C 2.775 178.675 175.900 -0.001 0.000 1.115 667 Y CA 2.240 60.347 58.100 0.011 0.000 1.105 667 Y CB -0.770 37.901 38.460 0.351 0.000 1.004 667 Y HN 0.210 nan 8.280 nan 0.000 0.494 668 T N 0.547 115.247 114.554 0.243 0.000 2.597 668 T HA -0.280 4.070 4.350 0.000 0.000 0.267 668 T C 1.596 176.206 174.700 -0.150 0.000 1.053 668 T CA 2.166 64.324 62.100 0.096 0.000 1.165 668 T CB -0.528 68.585 68.868 0.409 0.000 0.863 668 T HN 0.427 nan 8.240 nan 0.000 0.427 669 E N 0.407 120.578 120.200 -0.048 0.000 2.209 669 E HA -0.170 4.180 4.350 0.000 0.000 0.196 669 E C 2.317 178.763 176.600 -0.257 0.000 0.993 669 E CA 0.737 57.100 56.400 -0.062 0.000 0.819 669 E CB -0.176 29.539 29.700 0.024 0.000 0.745 669 E HN 0.377 nan 8.360 nan 0.000 0.477 670 R N -0.040 120.140 120.500 -0.532 0.000 2.120 670 R HA -0.179 4.161 4.340 0.000 0.000 0.234 670 R C 1.155 176.839 176.300 -1.027 0.000 1.123 670 R CA 1.532 57.123 56.100 -0.849 0.000 0.975 670 R CB 0.015 29.514 30.300 -1.335 0.000 0.866 670 R HN 0.291 nan 8.270 nan 0.000 0.446 671 Y N -2.429 117.468 120.300 -0.672 0.000 2.498 671 Y HA 0.236 4.786 4.550 0.000 0.000 0.259 671 Y C 1.694 177.357 175.900 -0.395 0.000 1.086 671 Y CA -0.348 57.360 58.100 -0.653 0.000 1.287 671 Y CB 0.550 38.481 38.460 -0.882 0.000 1.146 671 Y HN -0.045 nan 8.280 nan 0.000 0.523 672 M N -0.221 119.230 119.600 -0.248 0.000 2.308 672 M HA 0.362 4.842 4.480 0.000 0.000 0.269 672 M C 1.091 177.414 176.300 0.038 0.000 1.040 672 M CA 0.796 55.972 55.300 -0.205 0.000 1.024 672 M CB -0.194 32.073 32.600 -0.557 0.000 1.465 672 M HN 0.362 nan 8.290 nan 0.000 0.517 673 G N 1.813 110.632 108.800 0.032 0.000 2.598 673 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 673 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 673 G C -0.529 174.475 174.900 0.173 0.000 1.302 673 G CA -0.728 44.422 45.100 0.083 0.000 0.903 673 G HN 0.342 nan 8.290 nan 0.000 0.575 674 L N 2.209 123.494 121.223 0.104 0.000 2.307 674 L HA 0.410 4.750 4.340 0.000 0.000 0.282 674 L C -1.307 175.500 176.870 -0.104 0.000 1.051 674 L CA -1.782 53.071 54.840 0.021 0.000 0.804 674 L CB 2.015 44.068 42.059 -0.011 0.000 1.197 674 L HN 0.459 nan 8.230 nan 0.000 0.431 675 P HA 0.011 nan 4.420 nan 0.000 0.261 675 P C -0.216 176.894 177.300 -0.317 0.000 1.650 675 P CA 0.003 62.614 63.100 -0.816 0.000 0.846 675 P CB -0.621 30.381 31.700 -1.164 0.000 1.758 676 T N -3.574 110.885 114.554 -0.158 0.000 2.912 676 T HA 0.425 4.775 4.350 0.000 0.000 0.288 676 T C -1.828 172.846 174.700 -0.044 0.000 1.030 676 T CA -2.409 59.641 62.100 -0.083 0.000 1.020 676 T CB 2.055 70.889 68.868 -0.057 0.000 1.056 676 T HN -0.206 nan 8.240 nan 0.000 0.480 677 P HA -0.094 nan 4.420 nan 0.000 0.222 677 P C 0.836 178.129 177.300 -0.012 0.000 1.147 677 P CA 1.034 64.128 63.100 -0.011 0.000 0.790 677 P CB 0.204 31.899 31.700 -0.007 0.000 0.780 678 E N -0.810 119.380 120.200 -0.017 0.000 2.358 678 E HA -0.057 4.293 4.350 0.000 0.000 0.195 678 E C 1.122 177.711 176.600 -0.017 0.000 1.010 678 E CA 0.514 56.904 56.400 -0.016 0.000 0.856 678 E CB 0.064 29.754 29.700 -0.018 0.000 0.795 678 E HN 0.342 nan 8.360 nan 0.000 0.504 679 D N 0.719 121.109 120.400 -0.017 0.000 3.361 679 D HA 0.037 4.677 4.640 0.000 0.000 0.202 679 D C 0.269 176.561 176.300 -0.013 0.000 1.208 679 D CA -0.240 53.752 54.000 -0.012 0.000 1.397 679 D CB -0.071 40.730 40.800 0.001 0.000 0.948 679 D HN -0.100 nan 8.370 nan 0.000 0.167 680 N N 0.326 119.046 118.700 0.034 0.000 2.275 680 N HA 0.048 4.788 4.740 0.000 0.000 0.236 680 N C 1.448 177.083 175.510 0.209 0.000 1.154 680 N CA -0.146 52.947 53.050 0.071 0.000 0.866 680 N CB 0.657 39.225 38.487 0.136 0.000 1.093 680 N HN 0.040 nan 8.380 nan 0.000 0.515 681 L N 1.063 122.342 121.223 0.093 0.000 2.089 681 L HA -0.218 4.122 4.340 0.000 0.000 0.213 681 L C 1.346 178.329 176.870 0.188 0.000 1.079 681 L CA 1.979 56.867 54.840 0.080 0.000 0.758 681 L CB -0.429 41.630 42.059 0.001 0.000 0.891 681 L HN 0.162 nan 8.230 nan 0.000 0.433 682 D N -1.368 119.128 120.400 0.160 0.000 2.092 682 D HA -0.199 4.441 4.640 0.000 0.000 0.193 682 D C 2.106 178.596 176.300 0.318 0.000 0.994 682 D CA 1.620 55.740 54.000 0.200 0.000 0.828 682 D CB -0.306 40.598 40.800 0.174 0.000 0.963 682 D HN 0.459 nan 8.370 nan 0.000 0.450 683 H N -0.813 118.344 119.070 0.145 0.000 2.421 683 H HA -0.082 4.474 4.556 0.000 0.000 0.298 683 H C 1.830 177.246 175.328 0.146 0.000 1.087 683 H CA 0.780 56.896 56.048 0.113 0.000 1.330 683 H CB -0.575 29.224 29.762 0.062 0.000 1.388 683 H HN 0.300 nan 8.280 nan 0.000 0.526 684 Y N 0.851 121.277 120.300 0.210 0.000 2.089 684 Y HA -0.175 4.375 4.550 0.000 0.000 0.282 684 Y C 2.577 178.556 175.900 0.132 0.000 1.139 684 Y CA 1.477 59.687 58.100 0.184 0.000 1.123 684 Y CB -0.032 38.508 38.460 0.134 0.000 0.980 684 Y HN 0.067 nan 8.280 nan 0.000 0.493 685 R N -0.197 120.470 120.500 0.278 0.000 2.189 685 R HA -0.142 4.198 4.340 0.000 0.000 0.223 685 R C 1.736 178.103 176.300 0.111 0.000 1.092 685 R CA 1.006 57.197 56.100 0.151 0.000 0.989 685 R CB -0.370 29.999 30.300 0.115 0.000 0.876 685 R HN 0.386 nan 8.270 nan 0.000 0.457 686 N N 0.883 119.658 118.700 0.125 0.000 2.300 686 N HA -0.068 4.672 4.740 0.000 0.000 0.179 686 N C 0.825 176.372 175.510 0.062 0.000 1.016 686 N CA 1.070 54.164 53.050 0.073 0.000 0.876 686 N CB 0.206 38.721 38.487 0.046 0.000 0.979 686 N HN 0.134 nan 8.380 nan 0.000 0.432 687 S N -0.536 115.228 115.700 0.107 0.000 2.677 687 S HA 0.160 4.630 4.470 0.000 0.000 0.246 687 S C 0.508 175.196 174.600 0.146 0.000 1.005 687 S CA -0.505 57.785 58.200 0.150 0.000 1.062 687 S CB -0.222 63.141 63.200 0.272 0.000 0.778 687 S HN -0.078 nan 8.310 nan 0.000 0.461 688 T N 1.430 116.022 114.554 0.062 0.000 2.913 688 T HA 0.282 4.632 4.350 0.000 0.000 0.297 688 T C 1.371 176.072 174.700 0.002 0.000 1.029 688 T CA -0.356 61.747 62.100 0.005 0.000 1.104 688 T CB 1.416 70.271 68.868 -0.022 0.000 0.964 688 T HN 0.114 nan 8.240 nan 0.000 0.532 689 V N 3.968 123.872 119.914 -0.018 0.000 2.535 689 V HA -0.111 4.009 4.120 0.000 0.000 0.246 689 V C 2.540 178.587 176.094 -0.079 0.000 1.045 689 V CA 1.092 63.368 62.300 -0.040 0.000 1.058 689 V CB -0.418 31.377 31.823 -0.048 0.000 0.689 689 V HN 0.834 nan 8.190 nan 0.000 0.461 690 M N 1.079 120.625 119.600 -0.091 0.000 2.279 690 M HA -0.080 4.400 4.480 0.000 0.000 0.264 690 M C 2.188 178.451 176.300 -0.062 0.000 1.062 690 M CA 2.018 57.253 55.300 -0.108 0.000 1.099 690 M CB -2.045 30.511 32.600 -0.074 0.000 1.394 690 M HN 0.526 nan 8.290 nan 0.000 0.426 691 S N 0.687 116.369 115.700 -0.030 0.000 2.595 691 S HA -0.007 4.463 4.470 0.000 0.000 0.235 691 S C 1.532 176.137 174.600 0.009 0.000 0.974 691 S CA 0.295 58.491 58.200 -0.006 0.000 0.942 691 S CB -0.443 62.759 63.200 0.004 0.000 0.766 691 S HN 0.671 nan 8.310 nan 0.000 0.536 692 R N -0.172 120.341 120.500 0.021 0.000 2.596 692 R HA 0.462 4.802 4.340 0.000 0.000 0.369 692 R C 1.857 178.261 176.300 0.173 0.000 1.042 692 R CA 0.406 56.559 56.100 0.088 0.000 1.120 692 R CB 0.038 30.406 30.300 0.114 0.000 1.353 692 R HN 0.398 nan 8.270 nan 0.000 0.564 693 A N 1.753 124.586 122.820 0.021 0.000 1.927 693 A HA -0.242 4.079 4.320 0.000 0.000 0.220 693 A C 1.895 179.553 177.584 0.123 0.000 1.185 693 A CA 1.457 53.460 52.037 -0.056 0.000 0.639 693 A CB -0.146 18.789 19.000 -0.108 0.000 0.820 693 A HN 0.195 nan 8.150 nan 0.000 0.451 694 E N 0.398 120.658 120.200 0.100 0.000 2.033 694 E HA -0.208 4.142 4.350 0.000 0.000 0.199 694 E C 1.571 178.252 176.600 0.135 0.000 1.011 694 E CA 1.439 57.900 56.400 0.100 0.000 0.815 694 E CB -0.569 29.168 29.700 0.062 0.000 0.755 694 E HN 0.619 nan 8.360 nan 0.000 0.451 695 N N 0.304 119.077 118.700 0.122 0.000 2.586 695 N HA -0.149 4.591 4.740 0.000 0.000 0.191 695 N C 1.306 176.820 175.510 0.006 0.000 1.085 695 N CA 0.543 53.620 53.050 0.044 0.000 0.921 695 N CB -0.359 38.108 38.487 -0.033 0.000 0.954 695 N HN 0.132 nan 8.380 nan 0.000 0.448 696 F N 1.252 121.172 119.950 -0.050 0.000 2.780 696 F HA 0.103 4.630 4.527 0.000 0.000 0.299 696 F C 1.858 177.676 175.800 0.030 0.000 1.146 696 F CA 0.341 58.312 58.000 -0.048 0.000 1.428 696 F CB 0.139 39.082 39.000 -0.096 0.000 1.115 696 F HN -0.031 nan 8.300 nan 0.000 0.583 697 K N 0.130 120.640 120.400 0.183 0.000 2.211 697 K HA -0.152 4.168 4.320 0.000 0.000 0.203 697 K C 1.055 177.717 176.600 0.103 0.000 1.050 697 K CA 1.036 57.409 56.287 0.143 0.000 0.945 697 K CB -0.342 32.221 32.500 0.105 0.000 0.732 697 K HN 0.417 nan 8.250 nan 0.000 0.451 698 Q N 0.980 120.817 119.800 0.061 0.000 2.253 698 Q HA 0.142 4.482 4.340 0.000 0.000 0.210 698 Q C -0.545 175.479 176.000 0.039 0.000 0.907 698 Q CA -0.038 55.788 55.803 0.039 0.000 0.948 698 Q CB 0.410 29.155 28.738 0.011 0.000 1.033 698 Q HN -0.058 nan 8.270 nan 0.000 0.471 699 V N 0.260 120.218 119.914 0.072 0.000 3.147 699 V HA 0.141 4.261 4.120 0.000 0.000 0.299 699 V C -1.085 175.134 176.094 0.208 0.000 1.302 699 V CA -0.997 61.361 62.300 0.096 0.000 1.015 699 V CB 2.794 34.604 31.823 -0.022 0.000 1.086 699 V HN 0.157 nan 8.190 nan 0.000 0.437 700 E N 2.333 122.683 120.200 0.249 0.000 2.167 700 E HA 0.408 4.758 4.350 0.000 0.000 0.284 700 E C -1.722 175.227 176.600 0.582 0.000 1.016 700 E CA -0.338 56.285 56.400 0.371 0.000 0.817 700 E CB 1.444 31.302 29.700 0.264 0.000 1.080 700 E HN 0.503 nan 8.360 nan 0.000 0.397 701 Y N 3.610 124.158 120.300 0.412 0.000 2.376 701 Y HA 0.425 4.975 4.550 0.000 0.000 0.340 701 Y C -1.613 174.363 175.900 0.126 0.000 0.965 701 Y CA -1.541 56.741 58.100 0.304 0.000 1.078 701 Y CB 1.026 39.708 38.460 0.369 0.000 1.193 701 Y HN 0.399 nan 8.280 nan 0.000 0.452 702 L N 7.882 128.806 121.223 -0.500 0.000 2.316 702 L HA 0.550 4.890 4.340 0.000 0.000 0.280 702 L C -2.081 174.339 176.870 -0.750 0.000 1.006 702 L CA -0.725 53.670 54.840 -0.742 0.000 0.836 702 L CB 1.095 42.372 42.059 -1.303 0.000 1.221 702 L HN 0.661 nan 8.230 nan 0.000 0.418 703 L N 6.638 127.474 121.223 -0.644 0.000 2.272 703 L HA 0.641 4.981 4.340 0.000 0.000 0.289 703 L C -0.937 175.787 176.870 -0.244 0.000 1.032 703 L CA 0.105 54.632 54.840 -0.523 0.000 0.810 703 L CB 0.909 42.659 42.059 -0.515 0.000 1.205 703 L HN 0.564 nan 8.230 nan 0.000 0.422 704 I N 4.639 125.077 120.570 -0.221 0.000 2.465 704 I HA 0.430 4.600 4.170 0.000 0.000 0.291 704 I C -1.007 175.056 176.117 -0.090 0.000 1.014 704 I CA -0.683 60.542 61.300 -0.124 0.000 1.093 704 I CB 1.817 39.702 38.000 -0.192 0.000 1.267 704 I HN 0.654 nan 8.210 nan 0.000 0.431 705 H N 2.569 121.675 119.070 0.059 0.000 2.974 705 H HA 0.535 5.091 4.556 0.000 0.000 0.366 705 H C -0.227 175.297 175.328 0.328 0.000 1.155 705 H CA -0.575 55.553 56.048 0.134 0.000 1.186 705 H CB 2.068 31.875 29.762 0.075 0.000 1.799 705 H HN 0.732 nan 8.280 nan 0.000 0.541 706 G N 1.529 110.656 108.800 0.545 0.000 2.390 706 G HA2 0.128 4.088 3.960 0.000 0.000 0.270 706 G HA3 0.128 4.088 3.960 0.000 0.000 0.270 706 G C 0.693 175.881 174.900 0.479 0.000 1.211 706 G CA -0.145 45.240 45.100 0.474 0.000 0.842 706 G HN 0.717 nan 8.290 nan 0.000 0.519 707 T N 1.638 116.343 114.554 0.251 0.000 2.904 707 T HA 0.036 4.386 4.350 0.000 0.000 0.267 707 T C 1.997 176.637 174.700 -0.099 0.000 1.059 707 T CA 1.598 63.687 62.100 -0.019 0.000 1.137 707 T CB -0.001 68.867 68.868 -0.000 0.000 0.879 707 T HN 0.637 nan 8.240 nan 0.000 0.467 708 A N 1.111 123.898 122.820 -0.055 0.000 2.827 708 A HA 0.268 4.588 4.320 0.000 0.000 0.300 708 A C 0.086 177.472 177.584 -0.330 0.000 1.237 708 A CA -0.440 51.368 52.037 -0.381 0.000 0.964 708 A CB -0.005 19.057 19.000 0.103 0.000 1.143 708 A HN 0.180 nan 8.150 nan 0.000 0.554 709 D N 1.595 121.942 120.400 -0.088 0.000 2.359 709 D HA -0.003 4.637 4.640 0.000 0.000 0.250 709 D C 0.264 176.594 176.300 0.051 0.000 1.264 709 D CA 0.116 54.206 54.000 0.150 0.000 0.911 709 D CB 0.679 41.743 40.800 0.441 0.000 1.056 709 D HN 0.577 nan 8.370 nan 0.000 0.499 710 D N 2.465 122.907 120.400 0.069 0.000 2.347 710 D HA -0.149 4.491 4.640 0.000 0.000 0.213 710 D C 1.047 177.337 176.300 -0.017 0.000 0.985 710 D CA -0.049 53.977 54.000 0.043 0.000 0.879 710 D CB 0.358 41.129 40.800 -0.048 0.000 0.919 710 D HN 0.243 nan 8.370 nan 0.000 0.526 711 N N 0.980 119.755 118.700 0.126 0.000 2.244 711 N HA -0.069 4.671 4.740 0.000 0.000 0.189 711 N C -0.015 175.460 175.510 -0.058 0.000 1.047 711 N CA 0.640 53.786 53.050 0.161 0.000 0.870 711 N CB 0.330 38.806 38.487 -0.019 0.000 1.041 711 N HN -0.073 nan 8.380 nan 0.000 0.448 712 V N 3.048 122.948 119.914 -0.024 0.000 2.311 712 V HA 0.176 4.296 4.120 0.000 0.000 0.275 712 V C 0.354 176.549 176.094 0.170 0.000 1.022 712 V CA -0.599 61.751 62.300 0.084 0.000 0.830 712 V CB 0.783 32.727 31.823 0.201 0.000 1.012 712 V HN 0.359 nan 8.190 nan 0.000 0.452 713 H N 4.436 123.540 119.070 0.056 0.000 2.568 713 H HA -0.118 4.438 4.556 0.000 0.000 0.285 713 H C 1.449 176.727 175.328 -0.084 0.000 1.048 713 H CA 1.000 57.008 56.048 -0.066 0.000 1.197 713 H CB -0.425 29.209 29.762 -0.212 0.000 1.343 713 H HN 0.821 nan 8.280 nan 0.000 0.614 714 F N 0.267 119.953 119.950 -0.441 0.000 2.568 714 F HA -0.494 4.033 4.527 0.000 0.000 0.650 714 F C 2.146 177.690 175.800 -0.426 0.000 0.492 714 F CA 2.195 59.650 58.000 -0.909 0.000 0.801 714 F CB -0.923 37.783 39.000 -0.489 0.000 1.661 714 F HN 0.325 nan 8.300 nan 0.000 0.261 715 Q N 0.692 120.407 119.800 -0.142 0.000 2.156 715 Q HA -0.314 4.026 4.340 0.000 0.000 0.211 715 Q C 1.842 177.642 176.000 -0.333 0.000 0.995 715 Q CA 2.431 58.100 55.803 -0.224 0.000 0.877 715 Q CB -0.322 28.243 28.738 -0.288 0.000 0.920 715 Q HN 0.825 nan 8.270 nan 0.000 0.416 716 Q N -0.247 119.411 119.800 -0.237 0.000 2.030 716 Q HA -0.138 4.202 4.340 0.000 0.000 0.204 716 Q C 2.294 178.215 176.000 -0.131 0.000 0.986 716 Q CA 1.864 57.643 55.803 -0.041 0.000 0.843 716 Q CB -0.217 28.566 28.738 0.076 0.000 0.904 716 Q HN 0.340 nan 8.270 nan 0.000 0.420 717 S N 0.920 116.443 115.700 -0.295 0.000 2.387 717 S HA -0.044 4.426 4.470 0.000 0.000 0.226 717 S C 2.107 176.468 174.600 -0.398 0.000 1.026 717 S CA 0.814 58.831 58.200 -0.305 0.000 0.972 717 S CB -0.215 62.810 63.200 -0.292 0.000 0.814 717 S HN 0.488 nan 8.310 nan 0.000 0.477 718 A N 1.042 123.501 122.820 -0.602 0.000 1.978 718 A HA -0.186 4.134 4.320 0.000 0.000 0.220 718 A C 2.102 179.582 177.584 -0.172 0.000 1.170 718 A CA 1.687 53.508 52.037 -0.360 0.000 0.636 718 A CB -0.579 18.270 19.000 -0.252 0.000 0.810 718 A HN 0.380 nan 8.150 nan 0.000 0.448 719 Q N -0.281 119.426 119.800 -0.155 0.000 2.123 719 Q HA 0.065 4.405 4.340 0.000 0.000 0.199 719 Q C 1.790 177.748 176.000 -0.070 0.000 0.966 719 Q CA 1.265 57.036 55.803 -0.053 0.000 0.845 719 Q CB -0.344 28.438 28.738 0.072 0.000 0.907 719 Q HN 0.722 nan 8.270 nan 0.000 0.439 720 I N -0.153 120.342 120.570 -0.124 0.000 2.202 720 I HA -0.270 3.900 4.170 0.000 0.000 0.242 720 I C 2.205 178.164 176.117 -0.264 0.000 1.091 720 I CA 1.328 62.510 61.300 -0.195 0.000 1.368 720 I CB -0.428 37.452 38.000 -0.200 0.000 1.058 720 I HN 0.246 nan 8.210 nan 0.000 0.410 721 S N 0.736 116.292 115.700 -0.239 0.000 2.370 721 S HA -0.279 4.191 4.470 0.000 0.000 0.226 721 S C 2.047 176.649 174.600 0.003 0.000 1.033 721 S CA 1.345 59.441 58.200 -0.174 0.000 1.011 721 S CB -0.474 62.768 63.200 0.070 0.000 0.852 721 S HN 0.359 nan 8.310 nan 0.000 0.457 722 K N 1.522 121.914 120.400 -0.014 0.000 2.097 722 K HA -0.001 4.319 4.320 0.000 0.000 0.206 722 K C 2.354 178.952 176.600 -0.003 0.000 1.049 722 K CA 1.120 57.416 56.287 0.015 0.000 0.933 722 K CB -0.599 31.900 32.500 -0.000 0.000 0.717 722 K HN 0.478 nan 8.250 nan 0.000 0.442 723 A N 1.096 123.883 122.820 -0.056 0.000 1.902 723 A HA -0.119 4.201 4.320 0.000 0.000 0.217 723 A C 2.060 179.600 177.584 -0.072 0.000 1.181 723 A CA 1.203 53.198 52.037 -0.070 0.000 0.623 723 A CB -0.514 18.416 19.000 -0.117 0.000 0.818 723 A HN 0.289 nan 8.150 nan 0.000 0.443 724 L N -0.647 120.505 121.223 -0.118 0.000 2.093 724 L HA -0.119 4.221 4.340 0.000 0.000 0.208 724 L C 2.461 179.409 176.870 0.129 0.000 1.085 724 L CA 0.757 55.566 54.840 -0.052 0.000 0.755 724 L CB -0.481 41.461 42.059 -0.195 0.000 0.904 724 L HN 0.230 nan 8.230 nan 0.000 0.435 725 V N -0.265 119.752 119.914 0.172 0.000 2.427 725 V HA -0.265 3.855 4.120 0.000 0.000 0.248 725 V C 1.995 178.139 176.094 0.083 0.000 1.051 725 V CA 1.765 64.158 62.300 0.155 0.000 1.048 725 V CB -0.474 31.432 31.823 0.139 0.000 0.666 725 V HN 0.433 nan 8.190 nan 0.000 0.456 726 D N 0.506 120.938 120.400 0.055 0.000 2.219 726 D HA -0.041 4.599 4.640 0.000 0.000 0.205 726 D C 1.989 178.311 176.300 0.037 0.000 0.970 726 D CA 1.433 55.454 54.000 0.036 0.000 0.851 726 D CB -0.074 40.739 40.800 0.022 0.000 0.943 726 D HN 0.477 nan 8.370 nan 0.000 0.488 727 A N -0.049 122.795 122.820 0.041 0.000 2.251 727 A HA 0.390 4.710 4.320 0.000 0.000 0.209 727 A C 1.674 179.297 177.584 0.064 0.000 1.187 727 A CA 0.853 52.917 52.037 0.045 0.000 0.823 727 A CB -0.255 18.766 19.000 0.035 0.000 0.846 727 A HN 0.200 nan 8.150 nan 0.000 0.486 728 G N -0.887 107.958 108.800 0.074 0.000 2.221 728 G HA2 -0.181 3.779 3.960 0.000 0.000 0.265 728 G HA3 -0.181 3.779 3.960 0.000 0.000 0.265 728 G C 0.010 174.972 174.900 0.103 0.000 1.041 728 G CA 0.319 45.465 45.100 0.077 0.000 0.807 728 G HN 0.819 nan 8.290 nan 0.000 0.502 729 V N 0.648 120.651 119.914 0.149 0.000 2.350 729 V HA 0.413 4.533 4.120 0.000 0.000 0.276 729 V C 0.472 176.735 176.094 0.283 0.000 1.028 729 V CA -0.615 61.809 62.300 0.206 0.000 0.860 729 V CB 1.575 33.534 31.823 0.226 0.000 0.990 729 V HN 0.425 nan 8.190 nan 0.000 0.453 730 D N 4.228 124.746 120.400 0.197 0.000 2.339 730 D HA 0.556 5.196 4.640 0.000 0.000 0.245 730 D C -0.467 175.989 176.300 0.259 0.000 1.115 730 D CA 0.313 54.378 54.000 0.109 0.000 0.917 730 D CB 0.718 41.547 40.800 0.049 0.000 1.192 730 D HN 0.383 nan 8.370 nan 0.000 0.428 731 F N -1.060 118.967 119.950 0.128 0.000 2.926 731 F HA 0.421 4.948 4.527 0.000 0.000 0.321 731 F C -1.617 174.238 175.800 0.090 0.000 1.168 731 F CA -1.101 56.996 58.000 0.162 0.000 0.890 731 F CB 0.775 39.908 39.000 0.222 0.000 1.357 731 F HN 0.203 nan 8.300 nan 0.000 0.468 732 Q N 1.230 121.187 119.800 0.261 0.000 2.312 732 Q HA 0.825 5.165 4.340 0.000 0.000 0.263 732 Q C -0.990 175.105 176.000 0.159 0.000 0.995 732 Q CA -1.165 54.693 55.803 0.092 0.000 0.853 732 Q CB 2.360 31.163 28.738 0.107 0.000 1.300 732 Q HN 0.958 nan 8.270 nan 0.000 0.448 733 A N 2.142 125.010 122.820 0.080 0.000 2.435 733 A HA 0.927 5.247 4.320 0.000 0.000 0.296 733 A C -1.290 176.268 177.584 -0.044 0.000 1.147 733 A CA -0.625 51.468 52.037 0.095 0.000 0.775 733 A CB 1.883 21.037 19.000 0.255 0.000 1.340 733 A HN 0.664 nan 8.150 nan 0.000 0.427 734 M N 0.778 120.337 119.600 -0.068 0.000 2.319 734 M HA 0.499 4.979 4.480 0.000 0.000 0.265 734 M C -2.120 174.100 176.300 -0.134 0.000 1.038 734 M CA -0.326 54.803 55.300 -0.286 0.000 0.946 734 M CB 0.985 33.337 32.600 -0.412 0.000 1.984 734 M HN 0.967 nan 8.290 nan 0.000 0.482 735 W N 4.310 125.490 121.300 -0.199 0.000 2.516 735 W HA 0.799 5.459 4.660 0.000 0.000 0.343 735 W C -2.020 174.282 176.519 -0.362 0.000 1.094 735 W CA -0.912 56.391 57.345 -0.070 0.000 1.250 735 W CB 0.440 29.909 29.460 0.013 0.000 1.308 735 W HN 0.618 nan 8.180 nan 0.000 0.588 736 Y N 2.243 122.682 120.300 0.230 0.000 2.376 736 Y HA 0.290 4.840 4.550 0.000 0.000 0.326 736 Y C 0.475 176.484 175.900 0.181 0.000 0.970 736 Y CA -1.014 57.133 58.100 0.078 0.000 1.248 736 Y CB 1.492 39.957 38.460 0.008 0.000 1.117 736 Y HN 0.428 nan 8.280 nan 0.000 0.476 737 T N 4.723 119.429 114.554 0.255 0.000 2.822 737 T HA -0.051 4.299 4.350 0.000 0.000 0.288 737 T C 0.182 174.938 174.700 0.094 0.000 0.991 737 T CA 0.743 62.929 62.100 0.142 0.000 1.176 737 T CB -0.200 68.690 68.868 0.036 0.000 0.951 737 T HN 0.705 nan 8.240 nan 0.000 0.526 738 D N 0.914 121.354 120.400 0.066 0.000 3.077 738 D HA -0.124 4.516 4.640 0.000 0.000 0.217 738 D C 0.336 176.738 176.300 0.170 0.000 1.162 738 D CA 1.113 55.105 54.000 -0.013 0.000 0.943 738 D CB -0.367 40.229 40.800 -0.339 0.000 1.122 738 D HN 0.543 nan 8.370 nan 0.000 0.413 739 E N 0.654 120.974 120.200 0.201 0.000 2.349 739 E HA 0.202 4.552 4.350 0.000 0.000 0.265 739 E C 0.759 177.502 176.600 0.237 0.000 1.064 739 E CA -0.316 56.218 56.400 0.223 0.000 0.886 739 E CB 0.975 30.809 29.700 0.222 0.000 1.036 739 E HN 0.089 nan 8.360 nan 0.000 0.413 740 D N 0.001 120.549 120.400 0.246 0.000 2.289 740 D HA -0.070 4.570 4.640 0.000 0.000 0.266 740 D C 1.061 177.552 176.300 0.318 0.000 1.243 740 D CA 0.125 54.292 54.000 0.279 0.000 1.019 740 D CB 0.391 41.353 40.800 0.271 0.000 1.126 740 D HN 0.476 nan 8.370 nan 0.000 0.541 741 H N -1.308 117.917 119.070 0.258 0.000 2.512 741 H HA 0.157 4.713 4.556 0.000 0.000 0.279 741 H C 1.536 177.092 175.328 0.380 0.000 0.999 741 H CA 1.720 57.944 56.048 0.294 0.000 1.283 741 H CB -0.042 29.889 29.762 0.281 0.000 1.421 741 H HN 0.314 nan 8.280 nan 0.000 0.554 742 G N -0.170 108.764 108.800 0.223 0.000 2.838 742 G HA2 0.078 4.038 3.960 0.000 0.000 0.210 742 G HA3 0.078 4.038 3.960 0.000 0.000 0.210 742 G C 0.579 175.632 174.900 0.256 0.000 1.153 742 G CA 0.200 45.365 45.100 0.109 0.000 0.778 742 G HN 0.493 nan 8.290 nan 0.000 0.539 743 I N 0.005 120.725 120.570 0.250 0.000 6.272 743 I HA -0.326 3.844 4.170 0.000 0.000 0.126 743 I C 1.514 177.719 176.117 0.147 0.000 1.619 743 I CA 0.194 61.588 61.300 0.157 0.000 2.452 743 I CB -1.169 36.872 38.000 0.069 0.000 3.064 743 I HN 0.258 nan 8.210 nan 0.000 0.279 744 A N 0.961 123.850 122.820 0.116 0.000 2.423 744 A HA 0.343 4.663 4.320 0.000 0.000 0.246 744 A C 1.133 178.748 177.584 0.051 0.000 1.278 744 A CA 0.495 52.567 52.037 0.058 0.000 0.903 744 A CB 0.054 19.045 19.000 -0.016 0.000 0.997 744 A HN 0.621 nan 8.150 nan 0.000 0.510 745 S N -0.760 114.992 115.700 0.087 0.000 2.579 745 S HA 0.216 4.686 4.470 0.000 0.000 0.275 745 S C 1.249 175.903 174.600 0.090 0.000 1.345 745 S CA 0.348 58.598 58.200 0.083 0.000 1.031 745 S CB 1.163 64.424 63.200 0.101 0.000 0.892 745 S HN 0.433 nan 8.310 nan 0.000 0.529 746 S N 1.852 117.594 115.700 0.070 0.000 2.365 746 S HA -0.200 4.270 4.470 0.000 0.000 0.221 746 S C 2.219 176.886 174.600 0.111 0.000 1.037 746 S CA 2.552 60.801 58.200 0.082 0.000 1.060 746 S CB -1.715 61.513 63.200 0.048 0.000 0.974 746 S HN 1.085 nan 8.310 nan 0.000 0.427 747 T N 0.320 114.928 114.554 0.090 0.000 2.720 747 T HA -0.003 4.347 4.350 0.000 0.000 0.268 747 T C 1.942 176.714 174.700 0.121 0.000 1.037 747 T CA 1.708 63.867 62.100 0.098 0.000 1.144 747 T CB -1.100 67.820 68.868 0.086 0.000 0.864 747 T HN 0.509 nan 8.240 nan 0.000 0.444 748 A N 1.711 124.589 122.820 0.098 0.000 1.883 748 A HA -0.158 4.162 4.320 0.000 0.000 0.217 748 A C 2.235 179.807 177.584 -0.019 0.000 1.186 748 A CA 2.268 54.321 52.037 0.026 0.000 0.624 748 A CB -1.413 17.577 19.000 -0.017 0.000 0.822 748 A HN 0.774 nan 8.150 nan 0.000 0.444 749 H N 0.056 119.117 119.070 -0.015 0.000 2.319 749 H HA -0.184 4.372 4.556 0.000 0.000 0.297 749 H C 2.130 177.521 175.328 0.104 0.000 1.097 749 H CA 2.468 58.544 56.048 0.046 0.000 1.285 749 H CB -0.277 29.518 29.762 0.054 0.000 1.368 749 H HN 0.627 nan 8.280 nan 0.000 0.495 750 Q N -1.063 118.697 119.800 -0.066 0.000 2.046 750 Q HA -0.187 4.153 4.340 0.000 0.000 0.200 750 Q C 2.281 178.247 176.000 -0.056 0.000 0.975 750 Q CA 1.283 57.017 55.803 -0.116 0.000 0.836 750 Q CB -0.304 28.419 28.738 -0.026 0.000 0.896 750 Q HN 0.629 nan 8.270 nan 0.000 0.428 751 H N 1.110 120.148 119.070 -0.054 0.000 2.319 751 H HA -0.097 4.459 4.556 0.000 0.000 0.299 751 H C 1.989 177.302 175.328 -0.025 0.000 1.092 751 H CA 1.450 57.503 56.048 0.008 0.000 1.302 751 H CB -0.103 29.730 29.762 0.119 0.000 1.373 751 H HN 0.280 nan 8.280 nan 0.000 0.497 752 I N -0.074 120.490 120.570 -0.011 0.000 2.394 752 I HA -0.293 3.877 4.170 0.000 0.000 0.251 752 I C 1.668 177.538 176.117 -0.413 0.000 1.136 752 I CA 1.120 62.287 61.300 -0.221 0.000 1.425 752 I CB -0.228 37.415 38.000 -0.595 0.000 1.079 752 I HN 0.160 nan 8.210 nan 0.000 0.425 753 Y N 0.176 120.252 120.300 -0.373 0.000 2.365 753 Y HA -0.122 4.428 4.550 0.000 0.000 0.293 753 Y C 2.775 178.398 175.900 -0.462 0.000 1.119 753 Y CA 1.295 59.035 58.100 -0.601 0.000 1.203 753 Y CB -0.003 38.089 38.460 -0.614 0.000 1.026 753 Y HN 0.132 nan 8.280 nan 0.000 0.549 754 S N -1.135 114.435 115.700 -0.217 0.000 2.368 754 S HA -0.240 4.230 4.470 0.000 0.000 0.224 754 S C 1.647 175.944 174.600 -0.504 0.000 1.029 754 S CA 1.498 59.481 58.200 -0.361 0.000 0.988 754 S CB -0.485 62.536 63.200 -0.299 0.000 0.838 754 S HN 0.532 nan 8.310 nan 0.000 0.462 755 H N 1.355 120.219 119.070 -0.345 0.000 2.353 755 H HA 0.093 4.649 4.556 0.000 0.000 0.300 755 H C 2.001 177.269 175.328 -0.100 0.000 1.090 755 H CA 1.689 57.633 56.048 -0.175 0.000 1.327 755 H CB -0.174 29.544 29.762 -0.073 0.000 1.383 755 H HN 0.295 nan 8.280 nan 0.000 0.508 756 M N -0.962 118.567 119.600 -0.118 0.000 2.175 756 M HA -0.134 4.346 4.480 0.000 0.000 0.264 756 M C 2.429 178.826 176.300 0.162 0.000 1.063 756 M CA 1.307 56.559 55.300 -0.080 0.000 1.119 756 M CB 0.111 32.443 32.600 -0.448 0.000 1.377 756 M HN 0.182 nan 8.290 nan 0.000 0.415 757 S N -0.444 115.349 115.700 0.155 0.000 2.348 757 S HA -0.160 4.310 4.470 0.000 0.000 0.221 757 S C 1.714 176.435 174.600 0.201 0.000 1.033 757 S CA 1.175 59.582 58.200 0.345 0.000 1.010 757 S CB -0.613 62.759 63.200 0.287 0.000 0.891 757 S HN 0.467 nan 8.310 nan 0.000 0.442 758 H N -0.001 119.128 119.070 0.099 0.000 2.422 758 H HA -0.024 4.532 4.556 0.000 0.000 0.298 758 H C 1.889 177.214 175.328 -0.005 0.000 1.098 758 H CA 1.012 57.069 56.048 0.016 0.000 1.315 758 H CB -0.784 28.938 29.762 -0.068 0.000 1.382 758 H HN 0.438 nan 8.280 nan 0.000 0.523 759 F N 1.224 121.154 119.950 -0.033 0.000 2.134 759 F HA -0.140 4.387 4.527 0.000 0.000 0.299 759 F C 2.264 178.024 175.800 -0.065 0.000 1.097 759 F CA 0.939 58.895 58.000 -0.072 0.000 1.264 759 F CB -0.478 38.468 39.000 -0.090 0.000 1.001 759 F HN -0.003 nan 8.300 nan 0.000 0.479 760 L N -0.247 120.952 121.223 -0.040 0.000 2.056 760 L HA -0.226 4.114 4.340 0.000 0.000 0.207 760 L C 2.525 179.256 176.870 -0.233 0.000 1.078 760 L CA 1.430 56.103 54.840 -0.279 0.000 0.749 760 L CB -0.850 41.146 42.059 -0.104 0.000 0.901 760 L HN 0.196 nan 8.230 nan 0.000 0.433 761 Q N -0.330 119.462 119.800 -0.014 0.000 2.045 761 Q HA -0.292 4.048 4.340 0.000 0.000 0.206 761 Q C 2.246 178.234 176.000 -0.021 0.000 0.991 761 Q CA 1.803 57.637 55.803 0.051 0.000 0.851 761 Q CB -0.224 28.587 28.738 0.121 0.000 0.911 761 Q HN 0.558 nan 8.270 nan 0.000 0.418 762 Q N -0.168 119.575 119.800 -0.094 0.000 2.061 762 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 762 Q C 2.457 178.345 176.000 -0.186 0.000 0.984 762 Q CA 1.472 57.197 55.803 -0.131 0.000 0.846 762 Q CB -0.420 28.221 28.738 -0.162 0.000 0.902 762 Q HN 0.470 nan 8.270 nan 0.000 0.421 763 c N 0.032 118.405 118.600 -0.378 0.000 2.429 763 c HA -0.104 4.467 4.570 0.000 0.000 0.277 763 c C 1.997 176.037 174.090 -0.082 0.000 1.262 763 c CA 0.450 56.555 56.329 -0.372 0.000 1.733 763 c CB -0.976 41.119 42.510 -0.692 0.000 2.010 763 c HN 0.490 nan 8.230 nan 0.000 0.483 764 F N 1.190 121.090 119.950 -0.085 0.000 2.693 764 F HA 0.116 4.643 4.527 0.000 0.000 0.303 764 F C 1.575 177.353 175.800 -0.036 0.000 1.143 764 F CA 0.152 58.128 58.000 -0.041 0.000 1.389 764 F CB -0.110 38.876 39.000 -0.023 0.000 1.060 764 F HN 0.258 nan 8.300 nan 0.000 0.535 765 S N 0.049 115.824 115.700 0.126 0.000 3.358 765 S HA -0.235 4.235 4.470 0.000 0.000 0.309 765 S C 0.873 175.508 174.600 0.059 0.000 1.247 765 S CA 0.537 58.774 58.200 0.062 0.000 0.961 765 S CB -1.980 61.250 63.200 0.049 0.000 1.074 765 S HN 0.373 nan 8.310 nan 0.000 0.625 766 L N 0.439 121.716 121.223 0.090 0.000 2.606 766 L HA 0.344 4.684 4.340 0.000 0.000 0.148 766 L C 1.522 178.422 176.870 0.051 0.000 1.534 766 L CA -0.139 54.745 54.840 0.073 0.000 2.847 766 L CB -0.355 41.769 42.059 0.108 0.000 2.929 766 L HN 0.536 nan 8.230 nan 0.000 0.814 767 R N 0.000 120.536 120.500 0.060 0.000 2.786 767 R HA 0.000 4.340 4.340 0.000 0.000 0.208 767 R CA 0.000 56.128 56.100 0.046 0.000 0.921 767 R CB 0.000 30.322 30.300 0.037 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535