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_A 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 0.651 121.203 120.500 0.086 0.000 2.404 39 R HA 0.874 5.214 4.340 -0.001 0.000 0.291 39 R C 0.770 177.132 176.300 0.102 0.000 1.025 39 R CA 0.518 56.678 56.100 0.101 0.000 0.991 39 R CB -0.072 30.303 30.300 0.125 0.000 1.053 39 R HN 1.257 nan 8.270 nan 0.000 0.479 40 T N -0.457 114.164 114.554 0.111 0.000 2.824 40 T HA 0.486 4.836 4.350 -0.001 0.000 0.277 40 T C -0.303 174.519 174.700 0.203 0.000 0.975 40 T CA -0.303 61.868 62.100 0.118 0.000 0.966 40 T CB 0.361 69.283 68.868 0.090 0.000 1.054 40 T HN 0.710 nan 8.240 nan 0.000 0.533 41 Y N 1.967 122.311 120.300 0.073 0.000 2.595 41 Y HA 0.504 5.053 4.550 -0.001 0.000 0.347 41 Y C 0.986 177.049 175.900 0.272 0.000 1.025 41 Y CA -0.809 57.377 58.100 0.144 0.000 1.295 41 Y CB -0.493 38.011 38.460 0.074 0.000 1.147 41 Y HN 0.935 nan 8.280 nan 0.000 0.515 42 T N 3.214 117.793 114.554 0.043 0.000 2.856 42 T HA 0.377 4.727 4.350 -0.001 0.000 0.306 42 T C 1.584 176.252 174.700 -0.054 0.000 1.062 42 T CA 0.101 62.271 62.100 0.116 0.000 1.083 42 T CB 0.328 69.235 68.868 0.065 0.000 0.984 42 T HN 0.940 nan 8.240 nan 0.000 0.542 43 L N 0.931 121.996 121.223 -0.263 0.000 2.191 43 L HA 0.359 4.698 4.340 -0.001 0.000 0.212 43 L C 3.107 179.819 176.870 -0.263 0.000 1.103 43 L CA 2.571 56.967 54.840 -0.741 0.000 0.769 43 L CB -1.983 39.423 42.059 -1.088 0.000 0.908 43 L HN 1.116 nan 8.230 nan 0.000 0.438 44 A N -0.865 121.855 122.820 -0.166 0.000 1.930 44 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 44 A C 2.151 179.671 177.584 -0.107 0.000 1.175 44 A CA 1.336 53.310 52.037 -0.106 0.000 0.627 44 A CB -0.648 18.319 19.000 -0.055 0.000 0.815 44 A HN 0.641 nan 8.150 nan 0.000 0.443 45 D N -1.463 118.848 120.400 -0.147 0.000 2.123 45 D HA -0.172 4.467 4.640 -0.001 0.000 0.196 45 D C 1.677 177.939 176.300 -0.062 0.000 0.992 45 D CA 1.697 55.620 54.000 -0.128 0.000 0.833 45 D CB -0.345 40.286 40.800 -0.281 0.000 0.954 45 D HN 0.603 nan 8.370 nan 0.000 0.455 46 Y N 1.580 121.710 120.300 -0.282 0.000 2.109 46 Y HA -0.092 4.458 4.550 -0.001 0.000 0.285 46 Y C 2.256 178.139 175.900 -0.030 0.000 1.131 46 Y CA 1.217 59.278 58.100 -0.065 0.000 1.121 46 Y CB -0.627 37.788 38.460 -0.075 0.000 0.987 46 Y HN -0.130 nan 8.280 nan 0.000 0.495 47 L N 0.127 121.169 121.223 -0.300 0.000 2.191 47 L HA -0.169 4.171 4.340 -0.001 0.000 0.212 47 L C 1.717 178.476 176.870 -0.185 0.000 1.103 47 L CA 1.250 55.886 54.840 -0.340 0.000 0.769 47 L CB -0.427 41.505 42.059 -0.212 0.000 0.908 47 L HN 0.104 nan 8.230 nan 0.000 0.438 48 K N -0.007 120.317 120.400 -0.126 0.000 2.372 48 K HA 0.063 4.383 4.320 -0.001 0.000 0.200 48 K C 0.168 176.727 176.600 -0.069 0.000 1.022 48 K CA -0.194 56.043 56.287 -0.083 0.000 1.125 48 K CB -0.286 32.172 32.500 -0.070 0.000 0.855 48 K HN 0.128 nan 8.250 nan 0.000 0.524 49 N N 1.379 120.041 118.700 -0.063 0.000 2.699 49 N HA -0.191 4.549 4.740 -0.001 0.000 0.256 49 N C 0.262 175.771 175.510 -0.002 0.000 0.993 49 N CA 0.918 53.970 53.050 0.002 0.000 0.759 49 N CB -1.062 37.415 38.487 -0.017 0.000 0.906 49 N HN 0.081 nan 8.380 nan 0.000 0.541 50 T N -0.265 114.269 114.554 -0.034 0.000 2.708 50 T HA -0.083 4.267 4.350 -0.001 0.000 0.266 50 T C 0.435 174.916 174.700 -0.365 0.000 1.037 50 T CA 1.305 63.257 62.100 -0.247 0.000 1.146 50 T CB -0.183 68.449 68.868 -0.394 0.000 0.865 50 T HN 0.382 nan 8.240 nan 0.000 0.435 51 F N 2.404 122.467 119.950 0.188 0.000 2.309 51 F HA 0.378 4.905 4.527 -0.001 0.000 0.366 51 F C 0.640 176.535 175.800 0.159 0.000 1.104 51 F CA -1.085 57.024 58.000 0.182 0.000 1.179 51 F CB 0.249 39.390 39.000 0.235 0.000 1.437 51 F HN -0.129 nan 8.300 nan 0.000 0.528 52 R N 2.377 123.002 120.500 0.208 0.000 2.491 52 R HA 0.398 4.738 4.340 -0.001 0.000 0.283 52 R C -1.180 175.239 176.300 0.197 0.000 1.072 52 R CA -0.182 56.017 56.100 0.165 0.000 1.048 52 R CB 0.754 31.111 30.300 0.095 0.000 0.983 52 R HN 0.390 nan 8.270 nan 0.000 0.450 53 V N 5.923 125.952 119.914 0.193 0.000 2.347 53 V HA 0.245 4.365 4.120 -0.001 0.000 0.280 53 V C 0.119 176.319 176.094 0.175 0.000 1.021 53 V CA -0.598 61.833 62.300 0.219 0.000 0.847 53 V CB 1.352 33.339 31.823 0.273 0.000 0.990 53 V HN 0.810 nan 8.190 nan 0.000 0.444 54 K N 2.676 123.178 120.400 0.170 0.000 2.127 54 K HA 0.761 5.080 4.320 -0.001 0.000 0.240 54 K C 0.169 176.855 176.600 0.143 0.000 1.024 54 K CA -0.339 56.028 56.287 0.133 0.000 0.918 54 K CB 1.435 34.008 32.500 0.122 0.000 1.108 54 K HN 0.867 nan 8.250 nan 0.000 0.485 55 S N -0.613 115.067 115.700 -0.034 0.000 2.727 55 S HA 0.347 4.816 4.470 -0.001 0.000 0.278 55 S C -1.789 172.511 174.600 -0.501 0.000 1.186 55 S CA -0.869 57.020 58.200 -0.519 0.000 0.836 55 S CB 0.704 63.695 63.200 -0.347 0.000 1.186 55 S HN 0.601 nan 8.310 nan 0.000 0.499 56 Y N 1.274 120.942 120.300 -1.053 0.000 2.609 56 Y HA 0.538 5.088 4.550 -0.001 0.000 0.350 56 Y C -0.716 174.985 175.900 -0.333 0.000 1.050 56 Y CA -0.431 57.363 58.100 -0.509 0.000 1.290 56 Y CB 1.259 39.397 38.460 -0.536 0.000 1.094 56 Y HN 0.736 nan 8.280 nan 0.000 0.583 57 S N 6.173 121.734 115.700 -0.233 0.000 2.411 57 S HA 0.440 4.910 4.470 -0.001 0.000 0.304 57 S C -0.443 174.031 174.600 -0.210 0.000 1.098 57 S CA -0.571 57.527 58.200 -0.169 0.000 1.068 57 S CB -0.448 62.689 63.200 -0.105 0.000 1.032 57 S HN 0.554 nan 8.310 nan 0.000 0.511 58 L N 1.449 122.484 121.223 -0.314 0.000 2.335 58 L HA 0.765 5.104 4.340 -0.001 0.000 0.268 58 L C -0.036 176.655 176.870 -0.297 0.000 1.016 58 L CA -0.860 53.730 54.840 -0.416 0.000 0.805 58 L CB 0.592 42.044 42.059 -1.011 0.000 1.311 58 L HN 0.288 nan 8.230 nan 0.000 0.456 59 R N 0.306 120.677 120.500 -0.215 0.000 2.467 59 R HA 0.289 4.628 4.340 -0.001 0.000 0.299 59 R C -1.758 174.537 176.300 -0.009 0.000 1.120 59 R CA -0.271 55.785 56.100 -0.073 0.000 0.940 59 R CB 0.957 31.273 30.300 0.028 0.000 1.161 59 R HN 0.671 nan 8.270 nan 0.000 0.506 60 W N 3.061 124.437 121.300 0.125 0.000 2.591 60 W HA -0.012 4.647 4.660 -0.001 0.000 0.330 60 W C 1.132 177.718 176.519 0.111 0.000 1.435 60 W CA -0.350 57.084 57.345 0.149 0.000 1.350 60 W CB 0.536 30.074 29.460 0.130 0.000 1.434 60 W HN 0.392 nan 8.180 nan 0.000 0.553 61 V N 2.893 123.015 119.914 0.347 0.000 3.354 61 V HA -0.031 4.088 4.120 -0.001 0.000 0.258 61 V C 0.967 177.175 176.094 0.191 0.000 1.159 61 V CA 1.333 63.745 62.300 0.187 0.000 1.125 61 V CB -0.555 31.303 31.823 0.058 0.000 0.774 61 V HN 0.602 nan 8.190 nan 0.000 0.464 62 S N -1.456 114.403 115.700 0.266 0.000 2.873 62 S HA 0.263 4.733 4.470 -0.001 0.000 0.303 62 S C 0.090 174.784 174.600 0.157 0.000 1.222 62 S CA 0.112 58.421 58.200 0.180 0.000 0.923 62 S CB 1.329 64.612 63.200 0.139 0.000 1.286 62 S HN 0.036 nan 8.310 nan 0.000 0.571 63 D N 0.408 120.864 120.400 0.094 0.000 2.340 63 D HA 0.241 4.881 4.640 -0.001 0.000 0.220 63 D C 1.151 177.506 176.300 0.092 0.000 1.039 63 D CA 1.073 55.089 54.000 0.028 0.000 0.866 63 D CB 0.108 40.933 40.800 0.042 0.000 0.913 63 D HN 0.546 nan 8.370 nan 0.000 0.523 64 S N -2.303 113.489 115.700 0.152 0.000 2.800 64 S HA 0.252 4.721 4.470 -0.001 0.000 0.266 64 S C 0.272 174.964 174.600 0.153 0.000 1.029 64 S CA -0.685 57.595 58.200 0.132 0.000 1.302 64 S CB 0.611 63.906 63.200 0.159 0.000 1.212 64 S HN 0.037 nan 8.310 nan 0.000 0.683 65 E N 0.646 121.018 120.200 0.287 0.000 2.343 65 E HA 0.644 4.994 4.350 -0.001 0.000 0.270 65 E C -1.697 175.105 176.600 0.336 0.000 0.895 65 E CA -1.037 55.476 56.400 0.189 0.000 0.767 65 E CB 2.163 31.906 29.700 0.071 0.000 1.248 65 E HN 0.461 nan 8.360 nan 0.000 0.440 66 Y N -0.516 119.837 120.300 0.089 0.000 2.588 66 Y HA 0.623 5.173 4.550 -0.000 0.000 0.343 66 Y C -1.678 174.192 175.900 -0.050 0.000 1.065 66 Y CA -1.329 56.709 58.100 -0.104 0.000 1.038 66 Y CB 0.752 38.811 38.460 -0.668 0.000 1.297 66 Y HN 0.357 nan 8.280 nan 0.000 0.467 67 L N 2.889 124.236 121.223 0.206 0.000 2.343 67 L HA 0.520 4.860 4.340 -0.001 0.000 0.275 67 L C -1.344 175.705 176.870 0.299 0.000 1.056 67 L CA -0.984 53.953 54.840 0.162 0.000 0.804 67 L CB 1.606 43.685 42.059 0.033 0.000 1.203 67 L HN 0.812 nan 8.230 nan 0.000 0.440 68 Y N 2.340 122.711 120.300 0.118 0.000 2.442 68 Y HA 0.254 4.803 4.550 -0.001 0.000 0.330 68 Y C -0.698 175.205 175.900 0.004 0.000 1.100 68 Y CA -1.188 56.878 58.100 -0.057 0.000 1.034 68 Y CB 1.465 39.741 38.460 -0.307 0.000 1.285 68 Y HN 0.417 nan 8.280 nan 0.000 0.440 69 K N 5.238 125.171 120.400 -0.778 0.000 2.316 69 K HA 0.244 4.564 4.320 -0.001 0.000 0.289 69 K C -0.985 175.165 176.600 -0.750 0.000 1.070 69 K CA -0.201 55.733 56.287 -0.588 0.000 0.928 69 K CB 0.570 32.827 32.500 -0.405 0.000 1.039 69 K HN 0.836 nan 8.250 nan 0.000 0.480 70 Q N 4.347 123.959 119.800 -0.314 0.000 2.275 70 Q HA 0.088 4.428 4.340 -0.001 0.000 0.266 70 Q C -1.205 174.741 176.000 -0.090 0.000 1.002 70 Q CA -0.287 55.451 55.803 -0.109 0.000 0.761 70 Q CB 1.120 29.966 28.738 0.180 0.000 1.255 70 Q HN 0.738 nan 8.270 nan 0.000 0.446 71 E N 3.238 123.387 120.200 -0.085 0.000 2.252 71 E HA -0.353 3.997 4.350 -0.001 0.000 0.218 71 E C -0.681 175.835 176.600 -0.141 0.000 1.253 71 E CA 0.437 56.788 56.400 -0.080 0.000 0.705 71 E CB -1.211 28.465 29.700 -0.041 0.000 1.172 71 E HN 0.871 nan 8.360 nan 0.000 0.369 72 N N 0.592 119.170 118.700 -0.203 0.000 2.716 72 N HA -0.179 4.560 4.740 -0.001 0.000 0.250 72 N C -1.064 174.199 175.510 -0.412 0.000 1.033 72 N CA 1.055 53.912 53.050 -0.322 0.000 0.727 72 N CB -0.651 37.688 38.487 -0.248 0.000 0.950 72 N HN 0.434 nan 8.380 nan 0.000 0.541 73 N N 0.675 119.171 118.700 -0.340 0.000 2.397 73 N HA 0.271 5.010 4.740 -0.001 0.000 0.291 73 N C -0.452 174.915 175.510 -0.237 0.000 1.065 73 N CA -0.525 52.355 53.050 -0.285 0.000 0.884 73 N CB 1.302 39.699 38.487 -0.151 0.000 1.551 73 N HN -0.025 nan 8.380 nan 0.000 0.487 74 I N 3.506 123.934 120.570 -0.237 0.000 2.337 74 I HA 0.316 4.486 4.170 -0.001 0.000 0.291 74 I C 0.365 176.525 176.117 0.072 0.000 1.046 74 I CA -0.185 61.048 61.300 -0.112 0.000 1.324 74 I CB 0.093 38.009 38.000 -0.140 0.000 1.409 74 I HN 0.272 nan 8.210 nan 0.000 0.494 75 L N 6.376 127.695 121.223 0.159 0.000 2.334 75 L HA 0.475 4.814 4.340 -0.001 0.000 0.276 75 L C -0.356 176.650 176.870 0.227 0.000 1.014 75 L CA -1.014 53.931 54.840 0.174 0.000 0.815 75 L CB 2.097 44.261 42.059 0.175 0.000 1.268 75 L HN 0.330 nan 8.230 nan 0.000 0.428 76 L N 2.668 123.914 121.223 0.037 0.000 2.264 76 L HA 0.528 4.868 4.340 -0.001 0.000 0.289 76 L C -1.021 175.754 176.870 -0.158 0.000 1.044 76 L CA 0.401 55.229 54.840 -0.021 0.000 0.807 76 L CB 0.427 42.470 42.059 -0.027 0.000 1.192 76 L HN 0.188 nan 8.230 nan 0.000 0.425 77 F N 3.572 123.250 119.950 -0.454 0.000 2.507 77 F HA 0.446 4.973 4.527 -0.000 0.000 0.327 77 F C 0.481 175.951 175.800 -0.549 0.000 1.068 77 F CA -0.705 56.943 58.000 -0.587 0.000 0.965 77 F CB 1.330 39.705 39.000 -1.041 0.000 1.192 77 F HN 0.528 nan 8.300 nan 0.000 0.476 78 N N 1.660 120.264 118.700 -0.161 0.000 2.444 78 N HA 0.482 5.222 4.740 -0.001 0.000 0.262 78 N C -1.036 174.397 175.510 -0.127 0.000 0.974 78 N CA -0.245 52.738 53.050 -0.111 0.000 0.933 78 N CB 1.496 39.963 38.487 -0.033 0.000 1.137 78 N HN 0.749 nan 8.380 nan 0.000 0.498 79 A N 2.975 125.680 122.820 -0.193 0.000 2.450 79 A HA 0.352 4.671 4.320 -0.001 0.000 0.255 79 A C 0.729 178.033 177.584 -0.467 0.000 1.096 79 A CA 0.213 52.045 52.037 -0.342 0.000 0.778 79 A CB 0.237 18.806 19.000 -0.718 0.000 1.031 79 A HN 0.984 nan 8.150 nan 0.000 0.494 80 E N 0.102 120.156 120.200 -0.243 0.000 3.478 80 E HA -0.134 4.215 4.350 -0.001 0.000 0.156 80 E C -0.603 175.812 176.600 -0.310 0.000 0.863 80 E CA 0.954 57.207 56.400 -0.244 0.000 2.762 80 E CB -1.039 28.437 29.700 -0.372 0.000 1.446 80 E HN 0.832 nan 8.360 nan 0.000 0.641 81 H N 0.638 119.720 119.070 0.020 0.000 2.517 81 H HA 0.501 5.056 4.556 -0.000 0.000 0.317 81 H C 1.254 176.586 175.328 0.006 0.000 1.080 81 H CA 0.348 56.404 56.048 0.013 0.000 1.301 81 H CB 1.248 31.013 29.762 0.006 0.000 1.425 81 H HN 0.574 nan 8.280 nan 0.000 0.471 82 G N 3.047 111.915 108.800 0.114 0.000 2.689 82 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.216 82 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.216 82 G C 0.837 175.768 174.900 0.052 0.000 1.119 82 G CA 0.311 45.472 45.100 0.103 0.000 0.732 82 G HN 0.699 nan 8.290 nan 0.000 0.576 83 N N 0.333 119.057 118.700 0.039 0.000 1.916 83 N HA -0.009 4.731 4.740 -0.001 0.000 0.307 83 N C 0.708 176.117 175.510 -0.168 0.000 1.322 83 N CA 0.806 53.835 53.050 -0.035 0.000 0.808 83 N CB 0.297 38.796 38.487 0.020 0.000 1.056 83 N HN 0.357 nan 8.380 nan 0.000 0.499 84 S N 2.135 117.667 115.700 -0.279 0.000 2.753 84 S HA 0.813 5.283 4.470 -0.001 0.000 0.302 84 S C -0.464 173.930 174.600 -0.343 0.000 1.104 84 S CA -0.114 57.750 58.200 -0.559 0.000 0.968 84 S CB 1.648 64.337 63.200 -0.851 0.000 1.278 84 S HN 0.844 nan 8.310 nan 0.000 0.549 85 S N -0.559 114.930 115.700 -0.351 0.000 2.754 85 S HA 0.222 4.692 4.470 -0.001 0.000 0.302 85 S C -1.354 173.189 174.600 -0.095 0.000 0.922 85 S CA -0.815 57.286 58.200 -0.165 0.000 0.822 85 S CB -0.417 62.726 63.200 -0.094 0.000 1.020 85 S HN 0.775 nan 8.310 nan 0.000 0.475 86 I N 5.146 125.685 120.570 -0.052 0.000 2.648 86 I HA 0.178 4.348 4.170 -0.001 0.000 0.284 86 I C 0.765 176.930 176.117 0.080 0.000 1.153 86 I CA 0.221 61.518 61.300 -0.005 0.000 1.426 86 I CB 0.567 38.545 38.000 -0.037 0.000 1.381 86 I HN 0.793 nan 8.210 nan 0.000 0.571 87 F N 6.740 126.651 119.950 -0.064 0.000 2.532 87 F HA 0.408 4.934 4.527 -0.001 0.000 0.278 87 F C 0.230 176.005 175.800 -0.042 0.000 0.975 87 F CA 0.316 58.294 58.000 -0.038 0.000 1.292 87 F CB 0.545 39.536 39.000 -0.016 0.000 1.112 87 F HN 0.121 nan 8.300 nan 0.000 0.703 88 L N 1.097 122.325 121.223 0.008 0.000 2.408 88 L HA 0.363 4.702 4.340 -0.001 0.000 0.268 88 L C -0.717 176.065 176.870 -0.146 0.000 0.986 88 L CA -0.766 54.008 54.840 -0.111 0.000 0.820 88 L CB 2.377 44.402 42.059 -0.057 0.000 1.303 88 L HN -0.028 nan 8.230 nan 0.000 0.411 89 E N 1.216 121.325 120.200 -0.152 0.000 2.280 89 E HA 0.180 4.530 4.350 -0.001 0.000 0.261 89 E C 0.088 176.575 176.600 -0.189 0.000 1.088 89 E CA -0.743 55.566 56.400 -0.151 0.000 0.915 89 E CB 0.975 30.612 29.700 -0.106 0.000 1.141 89 E HN 0.477 nan 8.360 nan 0.000 0.433 90 N N 0.684 119.286 118.700 -0.164 0.000 2.184 90 N HA -0.160 4.580 4.740 -0.001 0.000 0.190 90 N C 1.251 176.699 175.510 -0.104 0.000 1.011 90 N CA 0.872 53.829 53.050 -0.156 0.000 0.867 90 N CB -0.142 38.284 38.487 -0.102 0.000 0.993 90 N HN 0.291 nan 8.380 nan 0.000 0.433 91 S N -0.773 114.876 115.700 -0.085 0.000 2.373 91 S HA -0.067 4.403 4.470 -0.001 0.000 0.219 91 S C 1.339 175.921 174.600 -0.031 0.000 1.377 91 S CA 1.680 59.846 58.200 -0.057 0.000 1.021 91 S CB -0.358 62.802 63.200 -0.066 0.000 0.777 91 S HN 0.498 nan 8.310 nan 0.000 0.463 92 T N 0.970 115.477 114.554 -0.078 0.000 12.652 92 T HA -0.325 4.024 4.350 -0.001 0.000 0.418 92 T C 1.146 175.840 174.700 -0.011 0.000 1.442 92 T CA 2.485 64.509 62.100 -0.127 0.000 2.373 92 T CB -1.978 66.757 68.868 -0.221 0.000 2.832 92 T HN 0.521 nan 8.240 nan 0.000 0.758 93 F N 2.945 122.782 119.950 -0.188 0.000 2.167 93 F HA -0.206 4.321 4.527 -0.001 0.000 0.301 93 F C 2.585 178.315 175.800 -0.117 0.000 1.066 93 F CA 1.965 59.884 58.000 -0.135 0.000 1.285 93 F CB -0.533 38.399 39.000 -0.112 0.000 1.032 93 F HN 0.592 nan 8.300 nan 0.000 0.495 94 E N 0.831 121.072 120.200 0.068 0.000 2.208 94 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 94 E C 2.178 178.748 176.600 -0.050 0.000 0.988 94 E CA 1.136 57.538 56.400 0.003 0.000 0.828 94 E CB -0.845 28.852 29.700 -0.005 0.000 0.763 94 E HN 0.465 nan 8.360 nan 0.000 0.478 95 I N 1.320 121.845 120.570 -0.075 0.000 2.118 95 I HA -0.290 3.879 4.170 -0.001 0.000 0.241 95 I C 2.699 178.726 176.117 -0.149 0.000 1.070 95 I CA 2.296 63.536 61.300 -0.100 0.000 1.327 95 I CB -0.877 37.059 38.000 -0.108 0.000 1.034 95 I HN 0.135 nan 8.210 nan 0.000 0.405 96 F N 2.242 122.060 119.950 -0.221 0.000 2.726 96 F HA 0.502 5.028 4.527 -0.001 0.000 0.296 96 F C 1.599 177.284 175.800 -0.192 0.000 1.250 96 F CA 0.061 57.862 58.000 -0.332 0.000 1.434 96 F CB -1.832 36.840 39.000 -0.547 0.000 1.043 96 F HN 0.338 nan 8.300 nan 0.000 0.508 97 G N 1.030 109.762 108.800 -0.114 0.000 2.651 97 G HA2 -0.430 3.529 3.960 -0.001 0.000 0.315 97 G HA3 -0.430 3.529 3.960 -0.001 0.000 0.315 97 G C 0.756 175.638 174.900 -0.030 0.000 1.258 97 G CA 0.683 45.748 45.100 -0.058 0.000 1.002 97 G HN 1.051 nan 8.290 nan 0.000 0.551 98 D N 0.111 120.502 120.400 -0.014 0.000 2.395 98 D HA 0.156 4.796 4.640 -0.001 0.000 0.213 98 D C 1.838 178.145 176.300 0.012 0.000 1.110 98 D CA 1.122 55.126 54.000 0.006 0.000 0.835 98 D CB -0.085 40.718 40.800 0.006 0.000 0.965 98 D HN 0.782 nan 8.370 nan 0.000 0.505 99 S N -0.010 115.695 115.700 0.008 0.000 2.605 99 S HA 0.132 4.602 4.470 -0.001 0.000 0.217 99 S C 0.895 175.528 174.600 0.056 0.000 0.958 99 S CA -0.556 57.669 58.200 0.042 0.000 0.919 99 S CB -0.290 62.959 63.200 0.083 0.000 0.780 99 S HN 0.067 nan 8.310 nan 0.000 0.507 100 I N 3.765 124.338 120.570 0.004 0.000 2.573 100 I HA 0.073 4.243 4.170 -0.001 0.000 0.295 100 I C 1.674 177.796 176.117 0.008 0.000 1.141 100 I CA 0.144 61.420 61.300 -0.040 0.000 1.364 100 I CB -0.236 37.644 38.000 -0.200 0.000 1.447 100 I HN 0.418 nan 8.210 nan 0.000 0.571 101 S N 4.293 120.004 115.700 0.019 0.000 2.383 101 S HA -0.079 4.390 4.470 -0.001 0.000 0.227 101 S C 0.684 175.301 174.600 0.028 0.000 1.026 101 S CA 1.162 59.359 58.200 -0.005 0.000 0.981 101 S CB 0.245 63.450 63.200 0.008 0.000 0.818 101 S HN 0.785 nan 8.310 nan 0.000 0.472 102 D N -2.115 118.323 120.400 0.064 0.000 2.725 102 D HA 0.329 4.969 4.640 -0.001 0.000 0.292 102 D C -1.858 174.557 176.300 0.191 0.000 1.288 102 D CA -0.505 53.577 54.000 0.137 0.000 0.784 102 D CB 1.061 41.922 40.800 0.102 0.000 1.308 102 D HN 0.269 nan 8.370 nan 0.000 0.429 103 Y N -1.061 119.323 120.300 0.140 0.000 2.534 103 Y HA 0.739 5.288 4.550 -0.001 0.000 0.345 103 Y C -1.420 174.626 175.900 0.244 0.000 1.031 103 Y CA -0.847 57.355 58.100 0.171 0.000 1.022 103 Y CB 1.919 40.515 38.460 0.226 0.000 1.292 103 Y HN 0.145 nan 8.280 nan 0.000 0.459 104 S N 2.933 118.840 115.700 0.344 0.000 2.733 104 S HA 0.631 5.101 4.470 -0.001 0.000 0.294 104 S C -1.649 173.301 174.600 0.582 0.000 1.149 104 S CA -0.591 57.810 58.200 0.336 0.000 1.034 104 S CB 0.814 64.209 63.200 0.325 0.000 1.015 104 S HN 0.685 nan 8.310 nan 0.000 0.486 105 V N 5.260 125.422 119.914 0.413 0.000 2.461 105 V HA 0.388 4.507 4.120 -0.001 0.000 0.275 105 V C 0.783 176.776 176.094 -0.168 0.000 1.047 105 V CA -0.636 61.828 62.300 0.273 0.000 0.955 105 V CB 1.192 33.201 31.823 0.311 0.000 0.988 105 V HN 1.010 nan 8.190 nan 0.000 0.471 106 S N 7.043 122.307 115.700 -0.727 0.000 2.558 106 S HA 0.104 4.574 4.470 -0.001 0.000 0.288 106 S C -1.043 173.275 174.600 -0.470 0.000 1.318 106 S CA -0.551 56.813 58.200 -1.393 0.000 1.056 106 S CB 0.585 62.899 63.200 -1.476 0.000 0.853 106 S HN 0.672 nan 8.310 nan 0.000 0.505 107 P HA -0.158 nan 4.420 nan 0.000 0.217 107 P C 0.648 177.917 177.300 -0.051 0.000 1.148 107 P CA 1.458 64.498 63.100 -0.099 0.000 0.828 107 P CB -0.238 31.433 31.700 -0.048 0.000 0.783 108 D N -0.511 119.854 120.400 -0.057 0.000 2.325 108 D HA -0.035 4.604 4.640 -0.001 0.000 0.234 108 D C 0.381 176.688 176.300 0.012 0.000 1.122 108 D CA -0.326 53.680 54.000 0.011 0.000 0.850 108 D CB -0.617 40.227 40.800 0.074 0.000 0.921 108 D HN 0.117 nan 8.370 nan 0.000 0.513 109 R N -0.177 120.326 120.500 0.005 0.000 3.722 109 R HA -0.196 4.143 4.340 -0.001 0.000 0.284 109 R C 0.950 177.270 176.300 0.034 0.000 1.165 109 R CA 0.515 56.680 56.100 0.108 0.000 0.779 109 R CB -2.203 28.220 30.300 0.206 0.000 1.179 109 R HN 0.356 nan 8.270 nan 0.000 0.491 110 L N -1.039 120.115 121.223 -0.116 0.000 2.307 110 L HA 0.184 4.524 4.340 -0.001 0.000 0.211 110 L C 0.537 176.948 176.870 -0.765 0.000 1.099 110 L CA 0.852 55.428 54.840 -0.441 0.000 0.816 110 L CB 0.094 41.827 42.059 -0.544 0.000 0.952 110 L HN -0.002 nan 8.230 nan 0.000 0.455 111 F N -1.739 118.128 119.950 -0.138 0.000 2.620 111 F HA 0.583 5.109 4.527 -0.000 0.000 0.320 111 F C -0.343 175.532 175.800 0.126 0.000 1.069 111 F CA -1.110 56.880 58.000 -0.017 0.000 0.953 111 F CB 1.608 40.640 39.000 0.054 0.000 1.322 111 F HN -0.549 nan 8.300 nan 0.000 0.479 112 V N 2.482 122.715 119.914 0.532 0.000 2.638 112 V HA 0.378 4.498 4.120 -0.001 0.000 0.306 112 V C -0.638 175.801 176.094 0.574 0.000 1.052 112 V CA -0.772 61.862 62.300 0.556 0.000 0.885 112 V CB 2.115 34.221 31.823 0.472 0.000 0.999 112 V HN 0.584 nan 8.190 nan 0.000 0.424 113 L N 5.415 127.004 121.223 0.609 0.000 2.290 113 L HA 0.510 4.849 4.340 -0.001 0.000 0.284 113 L C -0.798 176.277 176.870 0.342 0.000 1.078 113 L CA -0.307 54.780 54.840 0.411 0.000 0.815 113 L CB 0.978 43.201 42.059 0.273 0.000 1.162 113 L HN 0.503 nan 8.230 nan 0.000 0.435 114 L N 4.894 126.275 121.223 0.264 0.000 2.294 114 L HA 0.406 4.746 4.340 -0.001 0.000 0.283 114 L C -0.018 176.935 176.870 0.137 0.000 1.015 114 L CA -0.376 54.542 54.840 0.130 0.000 0.831 114 L CB 1.571 43.626 42.059 -0.006 0.000 1.217 114 L HN 0.575 nan 8.230 nan 0.000 0.420 115 E N 4.338 124.557 120.200 0.031 0.000 2.283 115 E HA 0.442 4.792 4.350 -0.001 0.000 0.278 115 E C -1.574 174.982 176.600 -0.074 0.000 1.027 115 E CA -0.403 55.837 56.400 -0.268 0.000 0.843 115 E CB 0.966 30.607 29.700 -0.099 0.000 1.062 115 E HN 0.457 nan 8.360 nan 0.000 0.401 116 Y N 1.074 121.174 120.300 -0.334 0.000 2.624 116 Y HA 0.383 4.933 4.550 -0.001 0.000 0.334 116 Y C -0.646 175.170 175.900 -0.140 0.000 1.155 116 Y CA -1.406 56.587 58.100 -0.178 0.000 1.046 116 Y CB 0.753 39.118 38.460 -0.158 0.000 1.316 116 Y HN 0.622 nan 8.280 nan 0.000 0.457 117 N N -0.340 118.361 118.700 0.002 0.000 2.815 117 N HA -0.278 4.462 4.740 -0.001 0.000 0.248 117 N C -1.280 174.219 175.510 -0.018 0.000 1.110 117 N CA 0.834 53.862 53.050 -0.037 0.000 0.699 117 N CB -1.770 36.620 38.487 -0.162 0.000 1.040 117 N HN 0.867 nan 8.380 nan 0.000 0.555 118 Y N 0.205 120.443 120.300 -0.104 0.000 2.569 118 Y HA 0.313 4.863 4.550 -0.001 0.000 0.332 118 Y C -0.035 175.842 175.900 -0.038 0.000 1.120 118 Y CA -0.144 57.904 58.100 -0.087 0.000 1.416 118 Y CB 0.578 38.925 38.460 -0.188 0.000 1.210 118 Y HN -0.020 nan 8.280 nan 0.000 0.528 119 V N 8.417 128.247 119.914 -0.141 0.000 2.357 119 V HA 0.168 4.287 4.120 -0.001 0.000 0.281 119 V C -0.052 175.930 176.094 -0.186 0.000 1.015 119 V CA -1.228 61.042 62.300 -0.050 0.000 0.827 119 V CB 1.052 32.843 31.823 -0.054 0.000 1.018 119 V HN 0.780 nan 8.190 nan 0.000 0.432 120 K N 3.908 124.303 120.400 -0.008 0.000 2.344 120 K HA 0.260 4.580 4.320 -0.001 0.000 0.260 120 K C -0.266 176.278 176.600 -0.093 0.000 0.988 120 K CA 0.074 56.380 56.287 0.032 0.000 0.909 120 K CB 0.553 33.221 32.500 0.279 0.000 0.968 120 K HN 0.736 nan 8.250 nan 0.000 0.505 121 Q N 3.056 122.767 119.800 -0.147 0.000 2.638 121 Q HA 0.079 4.419 4.340 -0.001 0.000 0.227 121 Q C -1.783 174.037 176.000 -0.300 0.000 0.842 121 Q CA -0.410 55.106 55.803 -0.478 0.000 1.095 121 Q CB 0.366 28.606 28.738 -0.829 0.000 1.595 121 Q HN 0.881 nan 8.270 nan 0.000 0.511 122 W N 1.517 122.873 121.300 0.093 0.000 3.078 122 W HA -0.335 4.325 4.660 -0.000 0.000 0.276 122 W C 1.123 177.631 176.519 -0.019 0.000 0.557 122 W CA -0.149 57.246 57.345 0.082 0.000 0.459 122 W CB -0.673 28.772 29.460 -0.025 0.000 2.859 122 W HN 0.760 nan 8.180 nan 0.000 0.416 123 R N -0.327 120.257 120.500 0.140 0.000 2.091 123 R HA -0.186 4.154 4.340 -0.001 0.000 0.238 123 R C 1.601 177.671 176.300 -0.383 0.000 1.136 123 R CA 2.522 58.492 56.100 -0.216 0.000 0.959 123 R CB -0.313 29.689 30.300 -0.496 0.000 0.856 123 R HN 0.529 nan 8.270 nan 0.000 0.437 124 H N -2.362 116.783 119.070 0.124 0.000 3.205 124 H HA 0.294 4.849 4.556 -0.001 0.000 0.252 124 H C 0.134 175.542 175.328 0.133 0.000 1.015 124 H CA -0.222 55.918 56.048 0.155 0.000 1.192 124 H CB 0.762 30.590 29.762 0.111 0.000 1.474 124 H HN -0.025 nan 8.280 nan 0.000 0.484 125 S N 1.321 116.980 115.700 -0.068 0.000 2.593 125 S HA 0.333 4.803 4.470 -0.001 0.000 0.269 125 S C -0.717 173.751 174.600 -0.220 0.000 1.334 125 S CA -0.238 57.602 58.200 -0.599 0.000 1.015 125 S CB 0.388 62.832 63.200 -1.260 0.000 0.912 125 S HN 0.496 nan 8.310 nan 0.000 0.541 126 Y N -2.422 117.685 120.300 -0.321 0.000 2.841 126 Y HA 0.499 5.049 4.550 -0.001 0.000 0.373 126 Y C -1.005 174.797 175.900 -0.162 0.000 1.170 126 Y CA -1.229 56.654 58.100 -0.362 0.000 1.196 126 Y CB 0.229 38.259 38.460 -0.718 0.000 1.433 126 Y HN 0.704 nan 8.280 nan 0.000 0.479 127 T N 0.359 114.895 114.554 -0.029 0.000 2.887 127 T HA 1.016 5.366 4.350 -0.001 0.000 0.288 127 T C -0.506 174.225 174.700 0.051 0.000 1.021 127 T CA 0.036 62.146 62.100 0.016 0.000 1.000 127 T CB 1.740 70.604 68.868 -0.008 0.000 1.034 127 T HN 1.805 nan 8.240 nan 0.000 0.467 128 A N 1.720 124.577 122.820 0.063 0.000 2.524 128 A HA 0.915 5.235 4.320 -0.001 0.000 0.289 128 A C -0.475 176.919 177.584 -0.318 0.000 1.248 128 A CA -0.981 50.965 52.037 -0.153 0.000 0.712 128 A CB 1.296 20.150 19.000 -0.242 0.000 1.312 128 A HN 0.871 nan 8.150 nan 0.000 0.441 129 S N -1.040 114.203 115.700 -0.762 0.000 2.532 129 S HA 0.789 5.259 4.470 -0.001 0.000 0.301 129 S C -1.607 172.275 174.600 -1.197 0.000 1.083 129 S CA -0.103 57.572 58.200 -0.875 0.000 1.025 129 S CB 0.851 63.322 63.200 -1.215 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 0.649 5.198 4.550 -0.001 0.000 0.346 130 Y C 0.139 176.078 175.900 0.065 0.000 1.018 130 Y CA -0.714 57.299 58.100 -0.144 0.000 1.050 130 Y CB 2.213 40.537 38.460 -0.226 0.000 1.280 130 Y HN 0.562 nan 8.280 nan 0.000 0.474 131 S N 2.274 118.149 115.700 0.292 0.000 2.546 131 S HA 0.592 5.062 4.470 -0.001 0.000 0.272 131 S C -1.596 173.110 174.600 0.177 0.000 1.140 131 S CA -0.660 57.655 58.200 0.191 0.000 0.920 131 S CB 1.254 64.552 63.200 0.163 0.000 1.083 131 S HN 0.335 nan 8.310 nan 0.000 0.476 132 I N 3.236 123.886 120.570 0.133 0.000 2.339 132 I HA 0.302 4.472 4.170 -0.001 0.000 0.290 132 I C -0.666 175.604 176.117 0.255 0.000 0.994 132 I CA -0.561 60.857 61.300 0.197 0.000 1.191 132 I CB 0.574 38.623 38.000 0.082 0.000 1.343 132 I HN 0.723 nan 8.210 nan 0.000 0.458 133 Y N 5.638 126.057 120.300 0.198 0.000 2.330 133 Y HA 0.301 4.851 4.550 -0.001 0.000 0.336 133 Y C 0.134 176.136 175.900 0.171 0.000 1.036 133 Y CA -0.503 57.679 58.100 0.138 0.000 1.125 133 Y CB 0.928 39.439 38.460 0.085 0.000 1.194 133 Y HN 0.504 nan 8.280 nan 0.000 0.469 134 D N 6.762 126.866 120.400 -0.494 0.000 2.380 134 D HA 0.107 4.746 4.640 -0.001 0.000 0.230 134 D C 0.883 176.715 176.300 -0.780 0.000 1.154 134 D CA 0.215 53.938 54.000 -0.462 0.000 0.859 134 D CB 0.751 41.416 40.800 -0.226 0.000 1.045 134 D HN 0.864 nan 8.370 nan 0.000 0.495 135 L N 3.542 124.437 121.223 -0.546 0.000 1.989 135 L HA -0.225 4.115 4.340 -0.001 0.000 0.211 135 L C 2.140 178.804 176.870 -0.343 0.000 1.071 135 L CA 1.003 55.626 54.840 -0.361 0.000 0.749 135 L CB -0.553 41.320 42.059 -0.310 0.000 0.890 135 L HN 0.408 nan 8.230 nan 0.000 0.431 136 N N 0.768 119.246 118.700 -0.371 0.000 2.000 136 N HA -0.272 4.468 4.740 -0.001 0.000 0.198 136 N C 1.741 177.123 175.510 -0.214 0.000 1.057 136 N CA 1.723 54.613 53.050 -0.267 0.000 0.858 136 N CB -0.094 38.227 38.487 -0.277 0.000 1.057 136 N HN -0.000 nan 8.380 nan 0.000 0.423 137 K N 0.814 121.082 120.400 -0.219 0.000 2.515 137 K HA 0.064 4.384 4.320 -0.001 0.000 0.196 137 K C -0.308 176.187 176.600 -0.174 0.000 1.038 137 K CA 0.424 56.618 56.287 -0.154 0.000 0.967 137 K CB 0.016 32.456 32.500 -0.100 0.000 0.780 137 K HN 0.213 nan 8.250 nan 0.000 0.483 138 R N 0.355 120.691 120.500 -0.272 0.000 3.422 138 R HA -0.218 4.121 4.340 -0.001 0.000 0.267 138 R C -1.070 175.118 176.300 -0.187 0.000 1.074 138 R CA 1.129 57.096 56.100 -0.222 0.000 0.718 138 R CB -1.980 28.289 30.300 -0.052 0.000 1.157 138 R HN 0.568 nan 8.270 nan 0.000 0.440 139 Q N -1.497 118.021 119.800 -0.471 0.000 2.776 139 Q HA 0.449 4.789 4.340 -0.001 0.000 0.289 139 Q C -0.936 174.972 176.000 -0.153 0.000 0.912 139 Q CA -1.064 54.665 55.803 -0.123 0.000 0.789 139 Q CB 0.680 29.417 28.738 -0.003 0.000 1.498 139 Q HN 0.101 nan 8.270 nan 0.000 0.408 140 L N 1.832 123.134 121.223 0.133 0.000 2.462 140 L HA 0.282 4.622 4.340 -0.001 0.000 0.272 140 L C -0.072 176.839 176.870 0.068 0.000 1.166 140 L CA -0.279 54.647 54.840 0.144 0.000 0.880 140 L CB 0.052 42.202 42.059 0.150 0.000 1.142 140 L HN 0.600 nan 8.230 nan 0.000 0.473 141 I N 2.997 123.597 120.570 0.051 0.000 2.618 141 I HA -0.078 4.091 4.170 -0.001 0.000 0.284 141 I C 1.205 177.341 176.117 0.032 0.000 1.146 141 I CA 0.609 61.928 61.300 0.030 0.000 1.425 141 I CB 0.973 38.904 38.000 -0.115 0.000 1.383 141 I HN 0.652 nan 8.210 nan 0.000 0.562 142 T N 3.418 118.000 114.554 0.047 0.000 3.058 142 T HA 0.130 4.479 4.350 -0.001 0.000 0.278 142 T C 1.009 175.717 174.700 0.014 0.000 0.974 142 T CA 0.028 62.143 62.100 0.024 0.000 0.893 142 T CB 0.122 69.006 68.868 0.025 0.000 1.138 142 T HN 0.587 nan 8.240 nan 0.000 0.529 143 E N 1.546 121.767 120.200 0.035 0.000 2.029 143 E HA 0.080 4.429 4.350 -0.001 0.000 0.217 143 E C 0.616 177.206 176.600 -0.016 0.000 0.903 143 E CA 0.648 57.062 56.400 0.024 0.000 1.062 143 E CB 0.011 29.752 29.700 0.068 0.000 0.908 143 E HN 0.222 nan 8.360 nan 0.000 0.569 144 E N 2.345 122.533 120.200 -0.020 0.000 1.999 144 E HA 0.036 4.385 4.350 -0.001 0.000 0.296 144 E C -0.579 175.962 176.600 -0.098 0.000 1.187 144 E CA 0.167 56.531 56.400 -0.059 0.000 1.229 144 E CB -0.459 29.214 29.700 -0.045 0.000 1.131 144 E HN 0.178 nan 8.360 nan 0.000 0.478 145 K N 0.890 121.224 120.400 -0.110 0.000 2.234 145 K HA 0.180 4.500 4.320 -0.001 0.000 0.251 145 K C 0.795 177.252 176.600 -0.239 0.000 1.011 145 K CA -0.091 56.111 56.287 -0.142 0.000 0.889 145 K CB 0.730 33.161 32.500 -0.115 0.000 1.011 145 K HN 0.365 nan 8.250 nan 0.000 0.505 146 I N 2.579 122.971 120.570 -0.297 0.000 2.336 146 I HA 0.242 4.412 4.170 -0.001 0.000 0.292 146 I C -2.099 173.709 176.117 -0.515 0.000 0.991 146 I CA -2.628 58.357 61.300 -0.526 0.000 1.227 146 I CB 1.313 38.936 38.000 -0.628 0.000 1.366 146 I HN 0.443 nan 8.210 nan 0.000 0.466 147 P HA -0.148 nan 4.420 nan 0.000 0.263 147 P C -0.357 176.692 177.300 -0.418 0.000 1.145 147 P CA 0.655 63.286 63.100 -0.781 0.000 0.755 147 P CB 0.269 30.995 31.700 -1.624 0.000 0.746 148 N N 2.056 120.610 118.700 -0.245 0.000 2.575 148 N HA -0.054 4.686 4.740 -0.001 0.000 0.192 148 N C 0.568 176.075 175.510 -0.005 0.000 1.200 148 N CA -0.034 52.949 53.050 -0.112 0.000 0.897 148 N CB -0.087 38.358 38.487 -0.070 0.000 0.990 148 N HN 0.348 nan 8.380 nan 0.000 0.449 149 N N 0.065 118.855 118.700 0.151 0.000 2.466 149 N HA 0.039 4.779 4.740 -0.001 0.000 0.272 149 N C -1.081 174.625 175.510 0.328 0.000 1.455 149 N CA 0.050 53.239 53.050 0.232 0.000 0.875 149 N CB 0.845 39.492 38.487 0.265 0.000 1.372 149 N HN -0.037 nan 8.380 nan 0.000 0.492 150 T N 1.070 115.794 114.554 0.283 0.000 2.905 150 T HA -0.016 4.334 4.350 -0.001 0.000 0.299 150 T C 1.585 176.400 174.700 0.192 0.000 1.024 150 T CA 0.628 62.888 62.100 0.268 0.000 1.151 150 T CB 1.063 69.950 68.868 0.033 0.000 0.987 150 T HN 0.241 nan 8.240 nan 0.000 0.535 151 Q N 1.643 121.545 119.800 0.170 0.000 2.354 151 Q HA 0.160 4.499 4.340 -0.001 0.000 0.203 151 Q C 0.252 176.325 176.000 0.122 0.000 0.933 151 Q CA 0.286 56.171 55.803 0.136 0.000 0.901 151 Q CB 0.827 29.615 28.738 0.083 0.000 1.007 151 Q HN 0.754 nan 8.270 nan 0.000 0.495 152 W N -0.122 121.085 121.300 -0.154 0.000 3.499 152 W HA 0.516 5.176 4.660 -0.000 0.000 0.288 152 W C -2.427 173.985 176.519 -0.178 0.000 1.258 152 W CA -0.713 56.499 57.345 -0.221 0.000 1.203 152 W CB 0.961 30.214 29.460 -0.344 0.000 1.325 152 W HN -0.074 nan 8.180 nan 0.000 0.564 153 I N 3.819 123.580 120.570 -1.348 0.000 3.004 153 I HA 0.701 4.871 4.170 -0.001 0.000 0.305 153 I C -1.524 173.915 176.117 -1.131 0.000 1.312 153 I CA -0.144 60.562 61.300 -0.991 0.000 0.992 153 I CB 2.586 39.986 38.000 -1.000 0.000 1.282 153 I HN 0.401 nan 8.210 nan 0.000 0.449 154 T N 3.392 117.593 114.554 -0.588 0.000 2.893 154 T HA 0.390 4.739 4.350 -0.001 0.000 0.337 154 T C -1.817 172.780 174.700 -0.171 0.000 1.587 154 T CA -0.368 61.535 62.100 -0.329 0.000 1.066 154 T CB 0.558 69.448 68.868 0.036 0.000 1.414 154 T HN 0.557 nan 8.240 nan 0.000 0.488 155 W N 2.436 123.716 121.300 -0.033 0.000 2.141 155 W HA 0.543 5.203 4.660 -0.000 0.000 0.354 155 W C 1.378 177.703 176.519 -0.324 0.000 1.297 155 W CA -0.390 56.874 57.345 -0.134 0.000 1.380 155 W CB 0.595 30.006 29.460 -0.083 0.000 1.168 155 W HN 0.845 nan 8.180 nan 0.000 0.639 156 S N -0.085 115.358 115.700 -0.427 0.000 2.640 156 S HA 0.087 4.557 4.470 -0.001 0.000 0.262 156 S C 0.552 175.004 174.600 -0.248 0.000 1.232 156 S CA -0.442 57.161 58.200 -0.995 0.000 0.988 156 S CB 0.515 63.026 63.200 -1.149 0.000 1.034 156 S HN 0.646 nan 8.310 nan 0.000 0.569 157 Q N -0.159 119.557 119.800 -0.139 0.000 2.398 157 Q HA 0.053 4.393 4.340 -0.001 0.000 0.204 157 Q C 0.832 176.810 176.000 -0.036 0.000 0.932 157 Q CA 0.626 56.432 55.803 0.005 0.000 0.916 157 Q CB 0.031 28.810 28.738 0.068 0.000 1.024 157 Q HN 0.662 nan 8.270 nan 0.000 0.504 158 E N 0.285 120.415 120.200 -0.117 0.000 2.275 158 E HA 0.105 4.454 4.350 -0.001 0.000 0.239 158 E C 1.220 177.746 176.600 -0.124 0.000 0.897 158 E CA 0.732 57.068 56.400 -0.107 0.000 1.044 158 E CB -0.821 28.800 29.700 -0.131 0.000 1.416 158 E HN 0.201 nan 8.360 nan 0.000 0.513 159 G N 0.570 109.249 108.800 -0.201 0.000 3.287 159 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.172 159 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.172 159 G C 0.057 174.848 174.900 -0.182 0.000 1.922 159 G CA 0.265 45.232 45.100 -0.222 0.000 0.952 159 G HN 0.496 nan 8.290 nan 0.000 0.520 160 H N -0.104 118.946 119.070 -0.033 0.000 2.505 160 H HA 0.441 4.996 4.556 -0.001 0.000 0.260 160 H C -0.209 175.236 175.328 0.196 0.000 1.168 160 H CA -0.415 55.661 56.048 0.047 0.000 0.945 160 H CB -0.157 29.587 29.762 -0.030 0.000 1.800 160 H HN 0.136 nan 8.280 nan 0.000 0.586 161 K N 1.689 122.044 120.400 -0.076 0.000 2.249 161 K HA 0.435 4.755 4.320 -0.001 0.000 0.280 161 K C -0.408 176.131 176.600 -0.101 0.000 1.033 161 K CA -0.350 55.820 56.287 -0.196 0.000 0.946 161 K CB 1.508 33.635 32.500 -0.622 0.000 1.005 161 K HN 0.190 nan 8.250 nan 0.000 0.469 162 L N 1.975 123.197 121.223 -0.001 0.000 2.362 162 L HA 0.610 4.950 4.340 -0.001 0.000 0.271 162 L C -0.734 176.305 176.870 0.282 0.000 1.002 162 L CA -0.876 53.948 54.840 -0.027 0.000 0.818 162 L CB 2.043 43.947 42.059 -0.259 0.000 1.298 162 L HN 0.671 nan 8.230 nan 0.000 0.420 163 A N 3.032 126.046 122.820 0.325 0.000 2.359 163 A HA 0.772 5.092 4.320 -0.001 0.000 0.303 163 A C -1.561 176.068 177.584 0.076 0.000 1.066 163 A CA -0.379 51.787 52.037 0.216 0.000 0.730 163 A CB 1.100 20.207 19.000 0.178 0.000 1.211 163 A HN 0.643 nan 8.150 nan 0.000 0.439 164 Y N -0.077 120.192 120.300 -0.052 0.000 2.562 164 Y HA 0.763 5.313 4.550 -0.001 0.000 0.345 164 Y C -1.237 174.690 175.900 0.045 0.000 1.045 164 Y CA -1.576 56.461 58.100 -0.105 0.000 1.028 164 Y CB 1.093 39.415 38.460 -0.231 0.000 1.297 164 Y HN 0.382 nan 8.280 nan 0.000 0.463 165 V N 2.710 122.764 119.914 0.233 0.000 2.435 165 V HA 0.393 4.513 4.120 -0.001 0.000 0.290 165 V C -1.320 175.006 176.094 0.387 0.000 1.030 165 V CA -0.532 61.883 62.300 0.192 0.000 0.881 165 V CB 1.267 33.111 31.823 0.036 0.000 0.983 165 V HN 0.884 nan 8.190 nan 0.000 0.445 166 W N 5.201 126.622 121.300 0.201 0.000 3.259 166 W HA 0.524 5.183 4.660 -0.000 0.000 0.331 166 W C 0.104 176.697 176.519 0.123 0.000 1.144 166 W CA -1.058 56.379 57.345 0.153 0.000 1.227 166 W CB 1.313 30.868 29.460 0.158 0.000 1.371 166 W HN 0.534 nan 8.180 nan 0.000 0.491 167 K N 5.142 125.116 120.400 -0.710 0.000 3.035 167 K HA -0.323 3.997 4.320 -0.001 0.000 0.262 167 K C 0.258 176.673 176.600 -0.308 0.000 1.024 167 K CA 1.544 57.438 56.287 -0.656 0.000 0.748 167 K CB -1.619 30.286 32.500 -0.991 0.000 1.247 167 K HN 0.891 nan 8.250 nan 0.000 0.482 168 N N -0.454 118.121 118.700 -0.209 0.000 2.778 168 N HA -0.168 4.571 4.740 -0.001 0.000 0.249 168 N C -0.657 174.772 175.510 -0.135 0.000 1.069 168 N CA 1.837 54.782 53.050 -0.175 0.000 0.831 168 N CB -0.386 37.934 38.487 -0.278 0.000 1.142 168 N HN 0.482 nan 8.380 nan 0.000 0.573 169 D N -0.207 120.141 120.400 -0.086 0.000 2.340 169 D HA 0.484 5.123 4.640 -0.001 0.000 0.240 169 D C 0.470 176.625 176.300 -0.241 0.000 1.001 169 D CA -0.451 53.436 54.000 -0.187 0.000 0.888 169 D CB 1.332 42.008 40.800 -0.206 0.000 1.310 169 D HN 0.001 nan 8.370 nan 0.000 0.474 170 I N 1.649 121.924 120.570 -0.492 0.000 2.440 170 I HA 0.255 4.425 4.170 -0.001 0.000 0.294 170 I C -0.634 175.021 176.117 -0.770 0.000 0.995 170 I CA -0.443 60.546 61.300 -0.518 0.000 1.306 170 I CB 0.588 38.216 38.000 -0.619 0.000 1.407 170 I HN 0.174 nan 8.210 nan 0.000 0.501 171 Y N 3.855 123.817 120.300 -0.563 0.000 2.545 171 Y HA 0.680 5.230 4.550 -0.001 0.000 0.348 171 Y C -0.350 175.258 175.900 -0.486 0.000 1.002 171 Y CA -0.903 56.835 58.100 -0.604 0.000 1.039 171 Y CB 2.124 39.967 38.460 -1.029 0.000 1.271 171 Y HN 0.120 nan 8.280 nan 0.000 0.467 172 V N 2.410 122.289 119.914 -0.059 0.000 2.841 172 V HA 0.483 4.603 4.120 -0.001 0.000 0.310 172 V C -1.111 175.093 176.094 0.184 0.000 1.090 172 V CA -1.439 60.910 62.300 0.081 0.000 0.930 172 V CB 2.267 34.150 31.823 0.100 0.000 1.014 172 V HN 0.620 nan 8.190 nan 0.000 0.425 173 K N 4.497 125.012 120.400 0.192 0.000 2.559 173 K HA 0.409 4.728 4.320 -0.001 0.000 0.249 173 K C 0.201 176.883 176.600 0.136 0.000 0.958 173 K CA -0.587 55.800 56.287 0.167 0.000 0.901 173 K CB 2.046 34.606 32.500 0.099 0.000 1.124 173 K HN 0.443 nan 8.250 nan 0.000 0.437 174 I N 1.187 121.845 120.570 0.147 0.000 2.399 174 I HA -0.281 3.889 4.170 -0.001 0.000 0.254 174 I C 0.745 176.903 176.117 0.068 0.000 1.146 174 I CA 1.417 62.765 61.300 0.080 0.000 1.412 174 I CB -0.376 37.664 38.000 0.067 0.000 1.076 174 I HN 0.670 nan 8.210 nan 0.000 0.432 175 E N -1.483 118.779 120.200 0.103 0.000 2.372 175 E HA 0.301 4.651 4.350 -0.001 0.000 0.279 175 E C -2.399 174.189 176.600 -0.020 0.000 0.946 175 E CA -1.619 54.862 56.400 0.135 0.000 0.769 175 E CB 1.449 31.281 29.700 0.220 0.000 1.230 175 E HN -0.303 nan 8.360 nan 0.000 0.442 176 P HA -0.225 nan 4.420 nan 0.000 0.216 176 P C 0.627 177.762 177.300 -0.277 0.000 1.154 176 P CA 1.522 64.401 63.100 -0.368 0.000 0.865 176 P CB 0.032 31.259 31.700 -0.789 0.000 0.789 177 H N -1.573 117.460 119.070 -0.061 0.000 2.462 177 H HA 0.085 4.641 4.556 -0.000 0.000 0.292 177 H C 1.136 176.459 175.328 -0.008 0.000 1.049 177 H CA 0.505 56.545 56.048 -0.013 0.000 1.334 177 H CB -0.533 29.238 29.762 0.016 0.000 1.404 177 H HN 0.177 nan 8.280 nan 0.000 0.544 178 L N 2.665 123.952 121.223 0.106 0.000 2.453 178 L HA 0.147 4.487 4.340 -0.001 0.000 0.261 178 L C -1.754 175.133 176.870 0.029 0.000 1.179 178 L CA -1.814 53.071 54.840 0.076 0.000 0.813 178 L CB 0.235 42.357 42.059 0.105 0.000 1.110 178 L HN -0.006 nan 8.230 nan 0.000 0.466 179 P HA 0.076 nan 4.420 nan 0.000 0.274 179 P C -0.853 176.391 177.300 -0.094 0.000 1.237 179 P CA -0.428 62.631 63.100 -0.069 0.000 0.793 179 P CB 0.902 32.536 31.700 -0.110 0.000 0.977 180 S N 0.781 116.435 115.700 -0.076 0.000 2.548 180 S HA 0.182 4.652 4.470 -0.001 0.000 0.277 180 S C 0.068 174.606 174.600 -0.103 0.000 1.315 180 S CA -0.262 57.939 58.200 0.001 0.000 1.050 180 S CB -0.275 62.972 63.200 0.079 0.000 0.918 180 S HN 0.381 nan 8.310 nan 0.000 0.497 181 H N 2.610 121.727 119.070 0.078 0.000 2.581 181 H HA 0.210 4.765 4.556 -0.001 0.000 0.308 181 H C 0.297 175.612 175.328 -0.021 0.000 1.040 181 H CA -0.403 55.666 56.048 0.034 0.000 1.231 181 H CB 0.686 30.452 29.762 0.006 0.000 1.396 181 H HN 0.491 nan 8.280 nan 0.000 0.467 182 R N 3.919 124.439 120.500 0.034 0.000 2.370 182 R HA 0.038 4.377 4.340 -0.001 0.000 0.309 182 R C 0.545 176.661 176.300 -0.307 0.000 1.059 182 R CA -0.269 55.647 56.100 -0.308 0.000 0.981 182 R CB 0.214 30.390 30.300 -0.206 0.000 0.972 182 R HN 0.520 nan 8.270 nan 0.000 0.437 183 I N 2.658 122.954 120.570 -0.457 0.000 2.867 183 I HA -0.028 4.141 4.170 -0.001 0.000 0.265 183 I C 1.064 176.954 176.117 -0.377 0.000 1.162 183 I CA 0.955 62.040 61.300 -0.359 0.000 1.471 183 I CB -0.633 37.121 38.000 -0.409 0.000 1.123 183 I HN 0.709 nan 8.210 nan 0.000 0.440 184 T N -2.035 112.239 114.554 -0.466 0.000 2.901 184 T HA 0.547 4.896 4.350 -0.001 0.000 0.293 184 T C 0.305 174.822 174.700 -0.305 0.000 1.084 184 T CA 0.013 61.890 62.100 -0.371 0.000 1.008 184 T CB 2.364 70.982 68.868 -0.416 0.000 1.170 184 T HN 0.080 nan 8.240 nan 0.000 0.509 185 S N -1.670 113.908 115.700 -0.205 0.000 2.800 185 S HA 0.094 4.564 4.470 -0.001 0.000 0.266 185 S C 1.494 176.033 174.600 -0.102 0.000 1.029 185 S CA 0.414 58.531 58.200 -0.139 0.000 1.302 185 S CB -0.541 62.599 63.200 -0.099 0.000 1.212 185 S HN 1.060 nan 8.310 nan 0.000 0.683 186 T N -0.003 114.487 114.554 -0.108 0.000 3.085 186 T HA 0.253 4.603 4.350 -0.001 0.000 0.263 186 T C 1.220 175.880 174.700 -0.067 0.000 1.127 186 T CA 0.550 62.609 62.100 -0.069 0.000 1.103 186 T CB -0.849 67.985 68.868 -0.055 0.000 0.921 186 T HN 0.597 nan 8.240 nan 0.000 0.510 187 G N 1.315 110.054 108.800 -0.101 0.000 2.224 187 G HA2 0.305 4.265 3.960 -0.001 0.000 0.239 187 G HA3 0.305 4.265 3.960 -0.001 0.000 0.239 187 G C -0.571 174.250 174.900 -0.132 0.000 1.240 187 G CA -0.313 44.712 45.100 -0.124 0.000 0.896 187 G HN 0.665 nan 8.290 nan 0.000 0.496 188 K N 1.882 122.182 120.400 -0.166 0.000 2.561 188 K HA 0.200 4.520 4.320 -0.001 0.000 0.254 188 K C -0.258 176.203 176.600 -0.231 0.000 0.942 188 K CA -0.758 55.438 56.287 -0.151 0.000 0.818 188 K CB 1.750 34.209 32.500 -0.068 0.000 1.306 188 K HN 0.646 nan 8.250 nan 0.000 0.435 189 E N 3.409 123.487 120.200 -0.202 0.000 2.529 189 E HA -0.114 4.236 4.350 -0.001 0.000 0.259 189 E C -0.261 176.277 176.600 -0.102 0.000 0.966 189 E CA 0.532 56.802 56.400 -0.217 0.000 0.937 189 E CB 0.220 29.830 29.700 -0.149 0.000 0.923 189 E HN 0.667 nan 8.360 nan 0.000 0.468 190 N N 1.830 120.467 118.700 -0.105 0.000 2.732 190 N HA -0.213 4.527 4.740 -0.001 0.000 0.250 190 N C 0.012 175.729 175.510 0.344 0.000 1.097 190 N CA 1.180 54.379 53.050 0.249 0.000 0.812 190 N CB -0.960 37.695 38.487 0.280 0.000 1.148 190 N HN 0.343 nan 8.380 nan 0.000 0.572 191 V N -1.399 118.608 119.914 0.154 0.000 3.442 191 V HA 0.270 4.390 4.120 -0.001 0.000 0.205 191 V C 0.469 176.729 176.094 0.277 0.000 1.320 191 V CA 0.338 62.779 62.300 0.235 0.000 1.306 191 V CB 0.684 32.584 31.823 0.129 0.000 1.267 191 V HN 0.013 nan 8.190 nan 0.000 0.538 192 I N 1.673 122.276 120.570 0.054 0.000 2.382 192 I HA 0.472 4.642 4.170 -0.001 0.000 0.286 192 I C -1.363 174.757 176.117 0.004 0.000 1.002 192 I CA -0.428 60.955 61.300 0.138 0.000 1.135 192 I CB 0.868 38.907 38.000 0.065 0.000 1.288 192 I HN 0.096 nan 8.210 nan 0.000 0.448 193 F N 5.008 125.066 119.950 0.180 0.000 2.411 193 F HA 0.428 4.954 4.527 -0.001 0.000 0.352 193 F C 0.623 176.526 175.800 0.172 0.000 1.123 193 F CA -0.707 57.407 58.000 0.190 0.000 1.044 193 F CB 0.905 40.081 39.000 0.292 0.000 1.135 193 F HN 0.314 nan 8.300 nan 0.000 0.461 194 N N 2.253 121.050 118.700 0.162 0.000 2.518 194 N HA 0.396 5.135 4.740 -0.001 0.000 0.254 194 N C 0.848 176.335 175.510 -0.038 0.000 0.979 194 N CA 0.218 53.294 53.050 0.043 0.000 0.930 194 N CB 1.790 40.190 38.487 -0.145 0.000 1.152 194 N HN 0.875 nan 8.380 nan 0.000 0.505 195 G N 1.533 110.350 108.800 0.029 0.000 2.176 195 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.253 195 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.253 195 G C 0.120 174.916 174.900 -0.172 0.000 0.979 195 G CA 0.621 45.663 45.100 -0.098 0.000 0.641 195 G HN 0.628 nan 8.290 nan 0.000 0.530 196 I N -3.119 117.417 120.570 -0.058 0.000 3.042 196 I HA 0.675 4.845 4.170 -0.001 0.000 0.310 196 I C -0.655 175.513 176.117 0.085 0.000 1.117 196 I CA -1.596 59.567 61.300 -0.228 0.000 1.003 196 I CB 1.744 39.462 38.000 -0.470 0.000 1.228 196 I HN -0.131 nan 8.210 nan 0.000 0.443 197 N N 2.773 121.479 118.700 0.010 0.000 2.509 197 N HA 0.192 4.932 4.740 -0.001 0.000 0.287 197 N C -0.908 174.435 175.510 -0.277 0.000 1.121 197 N CA -0.339 52.560 53.050 -0.252 0.000 0.977 197 N CB 1.239 39.680 38.487 -0.075 0.000 1.167 197 N HN 0.776 nan 8.380 nan 0.000 0.476 198 D N -0.237 119.651 120.400 -0.852 0.000 2.414 198 D HA -0.066 4.573 4.640 -0.001 0.000 0.259 198 D C 1.138 177.305 176.300 -0.220 0.000 1.269 198 D CA -0.390 53.048 54.000 -0.936 0.000 1.028 198 D CB 0.579 40.731 40.800 -1.080 0.000 1.093 198 D HN 0.493 nan 8.370 nan 0.000 0.545 199 W N 0.328 121.527 121.300 -0.168 0.000 2.315 199 W HA -0.235 4.425 4.660 -0.000 0.000 0.323 199 W C 2.353 178.770 176.519 -0.170 0.000 1.233 199 W CA 2.602 59.870 57.345 -0.128 0.000 1.267 199 W CB -0.639 28.698 29.460 -0.205 0.000 1.160 199 W HN 0.214 nan 8.180 nan 0.000 0.474 200 V N -0.108 119.863 119.914 0.096 0.000 2.407 200 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 200 V C 1.943 177.869 176.094 -0.280 0.000 1.055 200 V CA 2.144 64.383 62.300 -0.102 0.000 1.049 200 V CB -0.794 30.996 31.823 -0.055 0.000 0.662 200 V HN 0.313 nan 8.190 nan 0.000 0.455 201 Y N 0.579 120.702 120.300 -0.296 0.000 2.200 201 Y HA -0.172 4.378 4.550 -0.001 0.000 0.290 201 Y C 2.673 178.450 175.900 -0.205 0.000 1.137 201 Y CA 2.211 60.134 58.100 -0.295 0.000 1.163 201 Y CB -0.197 37.999 38.460 -0.441 0.000 0.988 201 Y HN 0.337 nan 8.280 nan 0.000 0.518 202 E N 0.198 120.360 120.200 -0.063 0.000 2.110 202 E HA -0.279 4.071 4.350 -0.001 0.000 0.193 202 E C 1.879 178.425 176.600 -0.090 0.000 0.988 202 E CA 1.550 57.938 56.400 -0.020 0.000 0.804 202 E CB 0.092 29.777 29.700 -0.024 0.000 0.745 202 E HN 0.432 nan 8.360 nan 0.000 0.458 203 E N 0.280 120.262 120.200 -0.365 0.000 2.042 203 E HA -0.114 4.236 4.350 -0.001 0.000 0.189 203 E C 1.756 178.252 176.600 -0.173 0.000 0.974 203 E CA 1.289 57.470 56.400 -0.364 0.000 0.806 203 E CB 0.139 29.303 29.700 -0.893 0.000 0.769 203 E HN 0.147 nan 8.360 nan 0.000 0.451 204 E N -0.271 119.794 120.200 -0.226 0.000 2.340 204 E HA 0.056 4.406 4.350 -0.001 0.000 0.194 204 E C 1.804 178.272 176.600 -0.221 0.000 0.996 204 E CA 0.273 56.586 56.400 -0.146 0.000 0.869 204 E CB 0.477 30.076 29.700 -0.169 0.000 0.835 204 E HN 0.334 nan 8.360 nan 0.000 0.493 205 I N -0.754 119.606 120.570 -0.349 0.000 2.962 205 I HA 0.039 4.209 4.170 -0.001 0.000 0.246 205 I C 1.977 177.887 176.117 -0.344 0.000 1.091 205 I CA 0.752 61.760 61.300 -0.486 0.000 1.469 205 I CB -0.976 36.511 38.000 -0.856 0.000 1.324 205 I HN -0.040 nan 8.210 nan 0.000 0.461 206 F N 1.207 121.159 119.950 0.004 0.000 2.619 206 F HA 0.270 4.797 4.527 -0.000 0.000 0.293 206 F C 1.777 177.534 175.800 -0.072 0.000 1.119 206 F CA 0.528 58.541 58.000 0.021 0.000 1.445 206 F CB -0.138 38.911 39.000 0.083 0.000 1.119 206 F HN 0.294 nan 8.300 nan 0.000 0.573 207 G N 1.448 110.275 108.800 0.045 0.000 2.283 207 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.280 207 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.280 207 G C -0.124 174.417 174.900 -0.598 0.000 1.029 207 G CA 0.211 45.215 45.100 -0.160 0.000 0.840 207 G HN 0.764 nan 8.290 nan 0.000 0.505 208 A N -2.055 120.611 122.820 -0.258 0.000 2.610 208 A HA 0.695 5.014 4.320 -0.001 0.000 0.291 208 A C 0.067 177.623 177.584 -0.048 0.000 1.086 208 A CA 0.237 52.123 52.037 -0.252 0.000 0.677 208 A CB 0.449 19.311 19.000 -0.229 0.000 1.278 208 A HN 0.933 nan 8.150 nan 0.000 0.414 209 Y N 1.137 121.269 120.300 -0.281 0.000 2.365 209 Y HA 0.178 4.727 4.550 -0.001 0.000 0.293 209 Y C 1.552 177.131 175.900 -0.535 0.000 1.119 209 Y CA 1.053 58.979 58.100 -0.290 0.000 1.203 209 Y CB -0.074 38.245 38.460 -0.235 0.000 1.026 209 Y HN 0.622 nan 8.280 nan 0.000 0.549 210 S N 0.505 115.642 115.700 -0.939 0.000 2.533 210 S HA 0.445 4.915 4.470 -0.001 0.000 0.282 210 S C 0.355 174.409 174.600 -0.909 0.000 1.304 210 S CA 0.193 57.611 58.200 -1.304 0.000 1.063 210 S CB 0.414 62.494 63.200 -1.867 0.000 0.881 210 S HN 0.407 nan 8.310 nan 0.000 0.493 211 A N 5.792 128.110 122.820 -0.836 0.000 2.795 211 A HA 0.504 4.824 4.320 -0.001 0.000 0.282 211 A C -0.420 176.534 177.584 -1.051 0.000 0.964 211 A CA -0.483 51.032 52.037 -0.871 0.000 1.045 211 A CB -0.029 18.899 19.000 -0.120 0.000 1.174 211 A HN 0.711 nan 8.150 nan 0.000 0.493 212 L N -0.318 120.179 121.223 -1.210 0.000 2.341 212 L HA 0.670 5.009 4.340 -0.001 0.000 0.267 212 L C -1.017 175.339 176.870 -0.856 0.000 1.009 212 L CA -0.734 53.688 54.840 -0.696 0.000 0.819 212 L CB 1.964 43.845 42.059 -0.298 0.000 1.323 212 L HN 0.406 nan 8.230 nan 0.000 0.425 213 W N 1.447 122.791 121.300 0.073 0.000 2.835 213 W HA 0.201 4.861 4.660 -0.001 0.000 0.326 213 W C -1.348 175.394 176.519 0.372 0.000 1.024 213 W CA -1.007 56.509 57.345 0.284 0.000 1.267 213 W CB 1.200 30.870 29.460 0.350 0.000 1.267 213 W HN 0.489 nan 8.180 nan 0.000 0.412 214 W N 2.547 124.060 121.300 0.355 0.000 2.190 214 W HA 0.269 4.929 4.660 -0.000 0.000 0.330 214 W C 1.269 177.591 176.519 -0.327 0.000 1.299 214 W CA 0.459 57.858 57.345 0.090 0.000 1.215 214 W CB 0.949 30.439 29.460 0.050 0.000 1.147 214 W HN 0.158 nan 8.180 nan 0.000 0.563 215 S N 2.991 118.369 115.700 -0.536 0.000 2.632 215 S HA 0.527 4.997 4.470 -0.001 0.000 0.267 215 S C -2.535 171.803 174.600 -0.438 0.000 1.276 215 S CA -1.577 55.752 58.200 -1.452 0.000 0.998 215 S CB 1.150 63.395 63.200 -1.591 0.000 0.953 215 S HN 0.137 nan 8.310 nan 0.000 0.547 216 P HA 0.348 nan 4.420 nan 0.000 0.271 216 P C 0.001 177.260 177.300 -0.068 0.000 1.216 216 P CA 0.042 63.103 63.100 -0.065 0.000 0.776 216 P CB 0.190 31.906 31.700 0.028 0.000 0.881 217 N N 1.754 120.424 118.700 -0.052 0.000 2.980 217 N HA -0.166 4.574 4.740 -0.001 0.000 0.219 217 N C 0.939 176.393 175.510 -0.094 0.000 0.883 217 N CA 1.616 54.630 53.050 -0.061 0.000 1.018 217 N CB -1.840 36.625 38.487 -0.038 0.000 1.041 217 N HN 0.814 nan 8.380 nan 0.000 0.592 218 G N -0.773 107.979 108.800 -0.081 0.000 2.203 218 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.263 218 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.263 218 G C 1.003 175.920 174.900 0.030 0.000 1.012 218 G CA 1.734 46.831 45.100 -0.005 0.000 0.749 218 G HN 0.477 nan 8.290 nan 0.000 0.512 219 T N -0.455 114.012 114.554 -0.145 0.000 2.701 219 T HA 0.198 4.548 4.350 -0.001 0.000 0.263 219 T C 1.028 175.479 174.700 -0.415 0.000 1.040 219 T CA 1.381 63.248 62.100 -0.388 0.000 1.147 219 T CB -0.077 68.349 68.868 -0.736 0.000 0.865 219 T HN 0.367 nan 8.240 nan 0.000 0.426 220 F N -0.008 119.949 119.950 0.011 0.000 2.457 220 F HA 0.675 5.202 4.527 -0.000 0.000 0.330 220 F C -0.268 175.528 175.800 -0.008 0.000 1.069 220 F CA -1.511 56.517 58.000 0.045 0.000 1.009 220 F CB 0.948 40.049 39.000 0.169 0.000 1.276 220 F HN -0.142 nan 8.300 nan 0.000 0.492 221 L N 1.740 123.070 121.223 0.178 0.000 2.504 221 L HA 0.752 5.092 4.340 -0.001 0.000 0.265 221 L C -0.847 176.096 176.870 0.121 0.000 0.975 221 L CA -0.596 54.164 54.840 -0.133 0.000 0.864 221 L CB 0.787 42.462 42.059 -0.640 0.000 1.212 221 L HN 0.683 nan 8.230 nan 0.000 0.416 222 A N 4.416 127.407 122.820 0.285 0.000 2.293 222 A HA 0.825 5.145 4.320 -0.001 0.000 0.302 222 A C -1.351 176.285 177.584 0.086 0.000 1.119 222 A CA -0.152 51.900 52.037 0.025 0.000 0.823 222 A CB 0.609 19.653 19.000 0.073 0.000 1.097 222 A HN 0.991 nan 8.150 nan 0.000 0.491 223 Y N -2.038 118.040 120.300 -0.370 0.000 2.624 223 Y HA 0.737 5.287 4.550 -0.001 0.000 0.334 223 Y C -0.397 175.336 175.900 -0.278 0.000 1.155 223 Y CA -0.898 57.099 58.100 -0.173 0.000 1.046 223 Y CB 0.797 39.146 38.460 -0.185 0.000 1.316 223 Y HN 0.943 nan 8.280 nan 0.000 0.457 224 A N 2.171 125.066 122.820 0.124 0.000 2.320 224 A HA 0.722 5.042 4.320 -0.001 0.000 0.334 224 A C -1.185 176.327 177.584 -0.120 0.000 1.147 224 A CA -0.841 51.141 52.037 -0.091 0.000 0.820 224 A CB 1.813 20.785 19.000 -0.046 0.000 1.218 224 A HN 0.839 nan 8.150 nan 0.000 0.482 225 Q N 0.632 120.235 119.800 -0.328 0.000 2.356 225 Q HA 0.662 5.002 4.340 -0.001 0.000 0.270 225 Q C -2.122 173.612 176.000 -0.444 0.000 1.058 225 Q CA -0.410 55.322 55.803 -0.119 0.000 0.802 225 Q CB 1.276 30.169 28.738 0.258 0.000 1.303 225 Q HN 0.600 nan 8.270 nan 0.000 0.444 226 F N 1.995 122.052 119.950 0.179 0.000 2.520 226 F HA 0.431 4.958 4.527 -0.001 0.000 0.322 226 F C 0.137 176.079 175.800 0.236 0.000 1.103 226 F CA -0.997 57.069 58.000 0.109 0.000 0.926 226 F CB 1.659 40.611 39.000 -0.080 0.000 1.154 226 F HN 0.429 nan 8.300 nan 0.000 0.453 227 N N 1.776 120.679 118.700 0.339 0.000 2.446 227 N HA 0.193 4.932 4.740 -0.001 0.000 0.265 227 N C -0.571 175.104 175.510 0.275 0.000 0.975 227 N CA -0.241 52.981 53.050 0.288 0.000 0.928 227 N CB 1.113 39.714 38.487 0.189 0.000 1.160 227 N HN 0.563 nan 8.380 nan 0.000 0.495 228 D N 1.817 122.410 120.400 0.323 0.000 2.342 228 D HA 0.094 4.733 4.640 -0.001 0.000 0.221 228 D C 1.184 177.614 176.300 0.217 0.000 1.101 228 D CA 0.226 54.391 54.000 0.273 0.000 0.837 228 D CB 0.447 41.466 40.800 0.365 0.000 0.938 228 D HN 0.510 nan 8.370 nan 0.000 0.508 229 T N -0.488 114.177 114.554 0.185 0.000 2.544 229 T HA -0.190 4.160 4.350 -0.001 0.000 0.264 229 T C 1.879 176.644 174.700 0.108 0.000 1.096 229 T CA 1.917 64.099 62.100 0.137 0.000 1.181 229 T CB -0.443 68.490 68.868 0.109 0.000 0.864 229 T HN 0.339 nan 8.240 nan 0.000 0.415 230 G N 0.807 109.663 108.800 0.093 0.000 2.679 230 G HA2 0.137 4.096 3.960 -0.001 0.000 0.212 230 G HA3 0.137 4.096 3.960 -0.001 0.000 0.212 230 G C 0.491 175.439 174.900 0.080 0.000 1.137 230 G CA -0.045 45.098 45.100 0.073 0.000 0.787 230 G HN 0.455 nan 8.290 nan 0.000 0.534 231 V N 2.068 122.046 119.914 0.107 0.000 2.585 231 V HA 0.141 4.261 4.120 -0.001 0.000 0.296 231 V C -1.645 174.517 176.094 0.112 0.000 1.035 231 V CA -1.280 61.088 62.300 0.114 0.000 1.084 231 V CB 1.177 33.083 31.823 0.140 0.000 0.953 231 V HN 0.081 nan 8.190 nan 0.000 0.483 232 P HA 0.342 nan 4.420 nan 0.000 0.274 232 P C -0.654 176.705 177.300 0.098 0.000 1.246 232 P CA -0.342 62.806 63.100 0.080 0.000 0.795 232 P CB 0.575 32.316 31.700 0.069 0.000 1.006 233 L N 1.260 122.522 121.223 0.064 0.000 2.334 233 L HA 0.604 4.943 4.340 -0.001 0.000 0.272 233 L C 0.185 177.044 176.870 -0.019 0.000 1.020 233 L CA -1.022 53.862 54.840 0.073 0.000 0.812 233 L CB 1.036 43.155 42.059 0.101 0.000 1.264 233 L HN 0.294 nan 8.230 nan 0.000 0.439 234 I N -1.438 119.082 120.570 -0.084 0.000 2.530 234 I HA 0.575 4.745 4.170 -0.001 0.000 0.297 234 I C -0.874 175.144 176.117 -0.166 0.000 1.011 234 I CA -0.334 60.808 61.300 -0.263 0.000 1.107 234 I CB 1.954 39.542 38.000 -0.687 0.000 1.285 234 I HN 0.489 nan 8.210 nan 0.000 0.436 235 E N 4.916 125.026 120.200 -0.151 0.000 2.260 235 E HA 0.390 4.740 4.350 -0.001 0.000 0.266 235 E C -1.830 174.723 176.600 -0.078 0.000 0.887 235 E CA -0.734 55.601 56.400 -0.107 0.000 0.777 235 E CB 2.082 31.758 29.700 -0.041 0.000 1.205 235 E HN 0.690 nan 8.360 nan 0.000 0.414 236 Y N -0.697 119.559 120.300 -0.073 0.000 2.549 236 Y HA 0.679 5.228 4.550 -0.001 0.000 0.339 236 Y C -0.216 175.646 175.900 -0.064 0.000 1.053 236 Y CA -1.265 56.786 58.100 -0.082 0.000 1.105 236 Y CB 1.079 39.498 38.460 -0.069 0.000 1.258 236 Y HN 0.137 nan 8.280 nan 0.000 0.478 237 S N 2.038 117.796 115.700 0.096 0.000 2.586 237 S HA 0.481 4.951 4.470 -0.001 0.000 0.274 237 S C -1.520 172.999 174.600 -0.135 0.000 1.281 237 S CA -0.453 57.664 58.200 -0.138 0.000 1.035 237 S CB 0.256 63.234 63.200 -0.371 0.000 0.962 237 S HN 0.561 nan 8.310 nan 0.000 0.512 238 F N 2.543 122.261 119.950 -0.387 0.000 2.507 238 F HA 0.430 4.956 4.527 -0.001 0.000 0.328 238 F C -0.345 175.210 175.800 -0.409 0.000 1.136 238 F CA -0.797 57.055 58.000 -0.246 0.000 0.930 238 F CB 0.790 39.790 39.000 0.000 0.000 1.166 238 F HN 0.670 nan 8.300 nan 0.000 0.436 239 Y N 2.641 122.737 120.300 -0.340 0.000 2.448 239 Y HA 0.134 4.683 4.550 -0.001 0.000 0.289 239 Y C 1.711 177.546 175.900 -0.108 0.000 1.114 239 Y CA 0.965 58.963 58.100 -0.170 0.000 1.235 239 Y CB -0.709 37.642 38.460 -0.182 0.000 1.045 239 Y HN 0.715 nan 8.280 nan 0.000 0.554 240 S N -0.110 115.492 115.700 -0.164 0.000 3.381 240 S HA -0.222 4.247 4.470 -0.001 0.000 0.636 240 S C -0.579 174.078 174.600 0.095 0.000 2.614 240 S CA 0.231 58.502 58.200 0.119 0.000 2.810 240 S CB -1.091 62.311 63.200 0.336 0.000 0.331 240 S HN 0.499 nan 8.310 nan 0.000 1.788 241 D N 2.096 122.569 120.400 0.122 0.000 2.478 241 D HA 0.075 4.715 4.640 -0.001 0.000 0.234 241 D C 1.523 177.865 176.300 0.070 0.000 1.154 241 D CA 0.764 54.815 54.000 0.085 0.000 0.874 241 D CB 0.150 41.000 40.800 0.084 0.000 1.198 241 D HN 0.730 nan 8.370 nan 0.000 0.455 242 E N -0.096 120.133 120.200 0.048 0.000 2.396 242 E HA -0.193 4.157 4.350 -0.001 0.000 0.200 242 E C 1.184 177.806 176.600 0.038 0.000 1.023 242 E CA 0.966 57.387 56.400 0.035 0.000 0.857 242 E CB -0.078 29.633 29.700 0.018 0.000 0.775 242 E HN 0.347 nan 8.360 nan 0.000 0.525 243 S N 0.693 116.421 115.700 0.048 0.000 2.436 243 S HA -0.074 4.396 4.470 -0.001 0.000 0.228 243 S C 0.981 175.617 174.600 0.060 0.000 1.014 243 S CA -0.131 58.098 58.200 0.048 0.000 0.950 243 S CB -0.329 62.900 63.200 0.049 0.000 0.784 243 S HN 0.299 nan 8.310 nan 0.000 0.504 244 L N 2.826 124.096 121.223 0.078 0.000 2.500 244 L HA 0.225 4.565 4.340 -0.001 0.000 0.272 244 L C 1.451 178.374 176.870 0.088 0.000 1.149 244 L CA 0.242 55.141 54.840 0.099 0.000 0.897 244 L CB 0.355 42.488 42.059 0.123 0.000 1.178 244 L HN 0.318 nan 8.230 nan 0.000 0.473 245 Q N 3.923 123.784 119.800 0.101 0.000 2.083 245 Q HA -0.081 4.258 4.340 -0.001 0.000 0.198 245 Q C -0.558 175.421 176.000 -0.035 0.000 0.969 245 Q CA 1.292 57.116 55.803 0.035 0.000 0.838 245 Q CB 0.154 28.939 28.738 0.079 0.000 0.900 245 Q HN 0.681 nan 8.270 nan 0.000 0.436 246 Y N 1.182 121.504 120.300 0.037 0.000 2.341 246 Y HA 0.388 4.938 4.550 -0.001 0.000 0.338 246 Y C -2.074 173.843 175.900 0.029 0.000 0.965 246 Y CA -3.061 55.057 58.100 0.030 0.000 1.108 246 Y CB 1.325 39.796 38.460 0.018 0.000 1.180 246 Y HN 0.158 nan 8.280 nan 0.000 0.458 247 P HA 0.030 nan 4.420 nan 0.000 0.269 247 P C -0.590 176.727 177.300 0.028 0.000 1.209 247 P CA -0.273 62.844 63.100 0.028 0.000 0.776 247 P CB 1.047 32.670 31.700 -0.129 0.000 0.876 248 K N 1.312 121.732 120.400 0.033 0.000 2.120 248 K HA 0.399 4.719 4.320 -0.001 0.000 0.245 248 K C 0.227 176.820 176.600 -0.011 0.000 1.024 248 K CA -0.063 56.248 56.287 0.040 0.000 0.906 248 K CB 0.196 32.739 32.500 0.072 0.000 1.051 248 K HN 0.378 nan 8.250 nan 0.000 0.491 249 T N 0.697 115.245 114.554 -0.010 0.000 2.840 249 T HA 0.299 4.649 4.350 -0.001 0.000 0.287 249 T C -0.622 174.041 174.700 -0.061 0.000 0.991 249 T CA -0.644 61.434 62.100 -0.036 0.000 0.964 249 T CB 1.282 70.160 68.868 0.017 0.000 0.954 249 T HN 0.130 nan 8.240 nan 0.000 0.438 250 V N 5.522 125.259 119.914 -0.295 0.000 2.394 250 V HA 0.568 4.688 4.120 -0.001 0.000 0.282 250 V C -0.326 175.561 176.094 -0.345 0.000 1.031 250 V CA -0.865 61.164 62.300 -0.451 0.000 0.881 250 V CB 0.771 32.109 31.823 -0.808 0.000 0.982 250 V HN 0.800 nan 8.190 nan 0.000 0.451 251 W N 5.000 126.170 121.300 -0.217 0.000 2.666 251 W HA 0.868 5.527 4.660 -0.000 0.000 0.334 251 W C -1.342 175.145 176.519 -0.053 0.000 1.051 251 W CA -1.522 55.730 57.345 -0.157 0.000 1.224 251 W CB 1.180 30.580 29.460 -0.101 0.000 1.405 251 W HN 0.328 nan 8.180 nan 0.000 0.513 252 I N 3.970 124.611 120.570 0.119 0.000 2.534 252 I HA 0.224 4.394 4.170 -0.001 0.000 0.288 252 I C -2.268 173.943 176.117 0.158 0.000 1.077 252 I CA -2.406 58.950 61.300 0.093 0.000 1.051 252 I CB 3.087 41.028 38.000 -0.098 0.000 1.234 252 I HN -0.022 nan 8.210 nan 0.000 0.425 253 P HA 0.045 nan 4.420 nan 0.000 0.275 253 P C -1.461 175.953 177.300 0.190 0.000 1.276 253 P CA 0.262 63.502 63.100 0.234 0.000 0.782 253 P CB 0.049 31.920 31.700 0.286 0.000 0.851 254 Y N 6.883 127.173 120.300 -0.017 0.000 2.329 254 Y HA 0.405 4.955 4.550 -0.001 0.000 0.328 254 Y C -2.476 173.419 175.900 -0.008 0.000 0.992 254 Y CA -2.761 55.286 58.100 -0.088 0.000 1.151 254 Y CB 2.447 40.748 38.460 -0.264 0.000 1.150 254 Y HN 0.251 nan 8.280 nan 0.000 0.450 255 P HA 0.237 nan 4.420 nan 0.000 0.292 255 P C -1.310 176.048 177.300 0.098 0.000 1.326 255 P CA -0.332 62.813 63.100 0.075 0.000 0.787 255 P CB 1.496 33.220 31.700 0.040 0.000 0.903 256 K N 2.030 122.575 120.400 0.242 0.000 2.107 256 K HA 0.506 4.825 4.320 -0.001 0.000 0.251 256 K C 0.532 177.249 176.600 0.195 0.000 1.012 256 K CA -0.721 55.734 56.287 0.281 0.000 0.920 256 K CB 0.666 33.348 32.500 0.304 0.000 1.033 256 K HN 0.459 nan 8.250 nan 0.000 0.478 257 A N 1.042 124.006 122.820 0.241 0.000 2.591 257 A HA 0.212 4.531 4.320 -0.001 0.000 0.244 257 A C 1.274 178.918 177.584 0.099 0.000 1.031 257 A CA 1.187 53.352 52.037 0.213 0.000 0.767 257 A CB -1.251 17.973 19.000 0.374 0.000 0.942 257 A HN 0.940 nan 8.150 nan 0.000 0.514 258 G N 1.120 109.958 108.800 0.063 0.000 2.253 258 G HA2 0.099 4.059 3.960 -0.001 0.000 0.251 258 G HA3 0.099 4.059 3.960 -0.001 0.000 0.251 258 G C 0.768 175.685 174.900 0.029 0.000 0.998 258 G CA 0.784 45.892 45.100 0.014 0.000 0.621 258 G HN 2.281 nan 8.290 nan 0.000 0.524 259 A N -0.104 122.751 122.820 0.057 0.000 2.327 259 A HA 0.661 4.981 4.320 -0.001 0.000 0.255 259 A C 0.924 178.536 177.584 0.047 0.000 1.099 259 A CA 0.462 52.534 52.037 0.058 0.000 0.801 259 A CB 0.599 19.650 19.000 0.086 0.000 1.062 259 A HN 1.192 nan 8.150 nan 0.000 0.496 260 V N 2.681 122.623 119.914 0.045 0.000 2.529 260 V HA 0.018 4.138 4.120 -0.001 0.000 0.292 260 V C 0.414 176.540 176.094 0.054 0.000 1.028 260 V CA -0.006 62.317 62.300 0.039 0.000 1.074 260 V CB 0.022 31.870 31.823 0.040 0.000 0.958 260 V HN 0.860 nan 8.190 nan 0.000 0.481 261 N N 6.686 125.409 118.700 0.040 0.000 2.458 261 N HA 0.503 5.243 4.740 -0.001 0.000 0.271 261 N C -2.356 173.212 175.510 0.096 0.000 1.210 261 N CA -1.258 51.832 53.050 0.067 0.000 0.978 261 N CB 1.112 39.618 38.487 0.032 0.000 1.206 261 N HN 0.388 nan 8.380 nan 0.000 0.536 262 P HA 0.151 nan 4.420 nan 0.000 0.276 262 P C -0.529 176.891 177.300 0.200 0.000 1.252 262 P CA -0.146 63.078 63.100 0.207 0.000 0.802 262 P CB 0.495 32.354 31.700 0.264 0.000 1.035 263 T N -2.295 112.367 114.554 0.180 0.000 2.940 263 T HA 0.648 4.997 4.350 -0.001 0.000 0.288 263 T C -0.024 174.751 174.700 0.125 0.000 1.033 263 T CA -0.689 61.472 62.100 0.101 0.000 1.033 263 T CB 1.010 69.909 68.868 0.052 0.000 1.079 263 T HN 0.234 nan 8.240 nan 0.000 0.496 264 V N 0.138 120.087 119.914 0.058 0.000 3.046 264 V HA 0.795 4.915 4.120 -0.001 0.000 0.316 264 V C -0.435 175.660 176.094 0.002 0.000 1.104 264 V CA -1.181 61.099 62.300 -0.033 0.000 1.006 264 V CB 1.777 33.642 31.823 0.071 0.000 1.058 264 V HN 1.010 nan 8.190 nan 0.000 0.440 265 K N 1.093 121.426 120.400 -0.111 0.000 2.542 265 K HA 0.540 4.860 4.320 -0.001 0.000 0.259 265 K C -2.091 174.291 176.600 -0.363 0.000 0.932 265 K CA -0.439 55.729 56.287 -0.198 0.000 0.820 265 K CB 2.776 35.163 32.500 -0.189 0.000 1.345 265 K HN 0.582 nan 8.250 nan 0.000 0.432 266 F N 3.206 122.774 119.950 -0.637 0.000 2.458 266 F HA 0.584 5.111 4.527 -0.001 0.000 0.336 266 F C -1.300 173.883 175.800 -1.029 0.000 1.114 266 F CA -0.537 57.081 58.000 -0.636 0.000 0.987 266 F CB 0.728 39.530 39.000 -0.331 0.000 1.130 266 F HN 0.368 nan 8.300 nan 0.000 0.458 267 F N 5.567 124.834 119.950 -1.137 0.000 2.593 267 F HA 0.684 5.210 4.527 -0.001 0.000 0.320 267 F C -0.667 174.496 175.800 -1.061 0.000 1.060 267 F CA -1.002 56.411 58.000 -0.978 0.000 0.940 267 F CB 1.944 40.265 39.000 -1.132 0.000 1.268 267 F HN 0.104 nan 8.300 nan 0.000 0.475 268 I N 2.560 122.923 120.570 -0.345 0.000 2.534 268 I HA 0.450 4.620 4.170 -0.001 0.000 0.288 268 I C -1.388 174.793 176.117 0.106 0.000 1.077 268 I CA -0.932 60.248 61.300 -0.200 0.000 1.051 268 I CB 2.098 39.829 38.000 -0.448 0.000 1.234 268 I HN 0.297 nan 8.210 nan 0.000 0.425 269 V N 6.336 126.379 119.914 0.214 0.000 2.628 269 V HA 0.414 4.534 4.120 -0.001 0.000 0.306 269 V C -0.274 176.004 176.094 0.308 0.000 1.045 269 V CA -0.552 61.897 62.300 0.248 0.000 0.905 269 V CB 2.178 34.109 31.823 0.180 0.000 0.997 269 V HN 0.755 nan 8.190 nan 0.000 0.436 270 N N 3.847 122.718 118.700 0.284 0.000 2.402 270 N HA 0.071 4.811 4.740 -0.001 0.000 0.259 270 N C 0.931 176.457 175.510 0.027 0.000 1.167 270 N CA 0.569 53.717 53.050 0.164 0.000 0.949 270 N CB 1.366 39.941 38.487 0.147 0.000 1.212 270 N HN 0.808 nan 8.380 nan 0.000 0.493 271 T N 2.128 116.679 114.554 -0.005 0.000 2.929 271 T HA -0.078 4.271 4.350 -0.001 0.000 0.271 271 T C 0.753 175.430 174.700 -0.039 0.000 1.085 271 T CA 0.982 63.088 62.100 0.010 0.000 1.125 271 T CB 0.157 69.119 68.868 0.157 0.000 0.874 271 T HN 0.487 nan 8.240 nan 0.000 0.494 272 D N 0.869 121.218 120.400 -0.085 0.000 2.123 272 D HA -0.039 4.600 4.640 -0.001 0.000 0.200 272 D C 2.363 178.619 176.300 -0.073 0.000 0.976 272 D CA 1.317 55.265 54.000 -0.086 0.000 0.831 272 D CB -0.431 40.302 40.800 -0.112 0.000 0.974 272 D HN 0.532 nan 8.370 nan 0.000 0.469 273 S N 0.365 116.030 115.700 -0.058 0.000 2.603 273 S HA -0.006 4.464 4.470 -0.001 0.000 0.229 273 S C 2.125 176.678 174.600 -0.078 0.000 0.972 273 S CA 0.058 58.233 58.200 -0.043 0.000 0.935 273 S CB -0.591 62.606 63.200 -0.005 0.000 0.769 273 S HN 0.223 nan 8.310 nan 0.000 0.536 274 L N 2.205 123.338 121.223 -0.150 0.000 2.129 274 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 274 L C 2.825 179.504 176.870 -0.319 0.000 1.087 274 L CA 1.563 56.219 54.840 -0.308 0.000 0.757 274 L CB -0.992 40.734 42.059 -0.555 0.000 0.896 274 L HN 0.570 nan 8.230 nan 0.000 0.434 275 S N -1.685 113.901 115.700 -0.190 0.000 2.522 275 S HA -0.053 4.417 4.470 -0.001 0.000 0.227 275 S C 1.680 176.287 174.600 0.013 0.000 0.986 275 S CA 0.595 58.769 58.200 -0.043 0.000 0.929 275 S CB -0.147 63.046 63.200 -0.012 0.000 0.769 275 S HN 0.513 nan 8.310 nan 0.000 0.529 276 S N 0.082 115.779 115.700 -0.006 0.000 2.554 276 S HA 0.315 4.785 4.470 -0.001 0.000 0.226 276 S C 0.331 174.944 174.600 0.021 0.000 0.980 276 S CA -0.381 57.827 58.200 0.013 0.000 0.939 276 S CB 0.038 63.243 63.200 0.007 0.000 0.832 276 S HN 0.448 nan 8.310 nan 0.000 0.486 277 T N 0.577 115.146 114.554 0.025 0.000 2.838 277 T HA 0.505 4.855 4.350 -0.001 0.000 0.292 277 T C 0.962 175.697 174.700 0.058 0.000 1.113 277 T CA -0.118 62.002 62.100 0.033 0.000 1.008 277 T CB 1.473 70.354 68.868 0.023 0.000 1.259 277 T HN 0.177 nan 8.240 nan 0.000 0.520 278 T N -2.103 112.481 114.554 0.050 0.000 3.039 278 T HA 0.252 4.602 4.350 -0.001 0.000 0.250 278 T C 0.483 175.215 174.700 0.052 0.000 1.052 278 T CA 0.230 62.365 62.100 0.059 0.000 1.125 278 T CB 0.022 68.913 68.868 0.037 0.000 0.908 278 T HN 0.606 nan 8.240 nan 0.000 0.473 279 T N 1.730 116.303 114.554 0.031 0.000 2.921 279 T HA 0.567 4.917 4.350 -0.001 0.000 0.297 279 T C -0.973 173.733 174.700 0.010 0.000 1.013 279 T CA -0.568 61.539 62.100 0.013 0.000 0.990 279 T CB 2.080 70.948 68.868 -0.000 0.000 1.023 279 T HN 0.074 nan 8.240 nan 0.000 0.447 280 T N 2.586 117.140 114.554 0.000 0.000 2.929 280 T HA 0.620 4.970 4.350 -0.001 0.000 0.284 280 T C -0.030 174.678 174.700 0.014 0.000 1.014 280 T CA -0.594 61.513 62.100 0.012 0.000 1.051 280 T CB 0.586 69.460 68.868 0.010 0.000 1.028 280 T HN 0.436 nan 8.240 nan 0.000 0.485 281 I N 4.855 125.450 120.570 0.041 0.000 2.330 281 I HA 0.281 4.451 4.170 -0.001 0.000 0.286 281 I C -1.835 174.333 176.117 0.086 0.000 1.025 281 I CA -2.175 59.152 61.300 0.044 0.000 1.197 281 I CB 1.495 39.527 38.000 0.053 0.000 1.358 281 I HN 0.364 nan 8.210 nan 0.000 0.467 282 P HA 0.166 nan 4.420 nan 0.000 0.271 282 P C -0.807 176.609 177.300 0.193 0.000 1.216 282 P CA -0.299 62.881 63.100 0.134 0.000 0.771 282 P CB 0.848 32.606 31.700 0.098 0.000 0.864 283 M N 1.278 121.026 119.600 0.246 0.000 2.274 283 M HA 0.411 4.891 4.480 -0.001 0.000 0.344 283 M C 0.221 176.665 176.300 0.241 0.000 1.161 283 M CA -0.670 54.790 55.300 0.266 0.000 1.126 283 M CB 1.002 33.812 32.600 0.350 0.000 1.522 283 M HN 0.348 nan 8.290 nan 0.000 0.461 284 Q N 2.624 122.543 119.800 0.197 0.000 2.274 284 Q HA 0.670 5.010 4.340 -0.001 0.000 0.260 284 Q C -1.812 174.144 176.000 -0.074 0.000 0.974 284 Q CA -0.622 55.149 55.803 -0.053 0.000 0.876 284 Q CB 1.795 30.474 28.738 -0.100 0.000 1.297 284 Q HN 0.876 nan 8.270 nan 0.000 0.446 285 I N 3.187 123.678 120.570 -0.131 0.000 2.359 285 I HA 0.306 4.475 4.170 -0.001 0.000 0.294 285 I C -0.039 176.027 176.117 -0.084 0.000 0.987 285 I CA -0.806 60.470 61.300 -0.040 0.000 1.225 285 I CB 1.906 39.913 38.000 0.013 0.000 1.366 285 I HN 0.759 nan 8.210 nan 0.000 0.466 286 T N 2.856 117.334 114.554 -0.126 0.000 2.824 286 T HA 0.712 5.061 4.350 -0.001 0.000 0.280 286 T C 0.103 174.549 174.700 -0.422 0.000 0.995 286 T CA -0.839 61.124 62.100 -0.228 0.000 1.009 286 T CB 1.663 70.422 68.868 -0.182 0.000 0.955 286 T HN 0.663 nan 8.240 nan 0.000 0.452 287 A N 4.857 127.188 122.820 -0.814 0.000 2.547 287 A HA 0.468 4.788 4.320 -0.001 0.000 0.233 287 A C -1.734 175.335 177.584 -0.859 0.000 1.067 287 A CA -1.058 50.080 52.037 -1.500 0.000 0.763 287 A CB -0.831 16.906 19.000 -2.106 0.000 1.007 287 A HN 0.814 nan 8.150 nan 0.000 0.506 288 P HA 0.116 nan 4.420 nan 0.000 0.267 288 P C 0.830 177.922 177.300 -0.347 0.000 1.200 288 P CA 0.660 63.518 63.100 -0.403 0.000 0.772 288 P CB 0.669 32.214 31.700 -0.260 0.000 0.855 289 A N 3.351 126.032 122.820 -0.230 0.000 1.927 289 A HA -0.220 4.100 4.320 -0.001 0.000 0.220 289 A C 1.998 179.472 177.584 -0.183 0.000 1.185 289 A CA 2.438 54.360 52.037 -0.192 0.000 0.639 289 A CB -1.728 17.193 19.000 -0.132 0.000 0.820 289 A HN 0.663 nan 8.150 nan 0.000 0.451 290 S N -1.341 114.276 115.700 -0.138 0.000 2.723 290 S HA 0.177 4.646 4.470 -0.001 0.000 0.231 290 S C 0.892 175.385 174.600 -0.179 0.000 0.967 290 S CA 0.904 59.020 58.200 -0.140 0.000 0.958 290 S CB 0.105 63.299 63.200 -0.009 0.000 0.778 290 S HN 0.301 nan 8.310 nan 0.000 0.537 291 V N -0.059 119.719 119.914 -0.227 0.000 3.408 291 V HA 0.077 4.196 4.120 -0.001 0.000 0.263 291 V C 1.935 177.771 176.094 -0.430 0.000 1.503 291 V CA 0.811 62.948 62.300 -0.272 0.000 1.046 291 V CB 0.084 31.723 31.823 -0.307 0.000 0.851 291 V HN 0.447 nan 8.190 nan 0.000 0.435 292 T N 0.593 114.896 114.554 -0.417 0.000 3.055 292 T HA -0.105 4.244 4.350 -0.001 0.000 0.265 292 T C 1.866 176.487 174.700 -0.132 0.000 1.111 292 T CA 1.754 63.658 62.100 -0.327 0.000 1.118 292 T CB -0.159 68.537 68.868 -0.286 0.000 0.909 292 T HN 0.551 nan 8.240 nan 0.000 0.501 293 T N 0.602 115.081 114.554 -0.125 0.000 2.849 293 T HA 0.155 4.504 4.350 -0.001 0.000 0.270 293 T C 1.160 175.836 174.700 -0.041 0.000 1.066 293 T CA 0.959 63.010 62.100 -0.081 0.000 1.130 293 T CB -0.087 68.723 68.868 -0.096 0.000 0.864 293 T HN 0.546 nan 8.240 nan 0.000 0.481 294 G N 0.067 108.860 108.800 -0.012 0.000 2.782 294 G HA2 0.469 4.429 3.960 -0.001 0.000 0.304 294 G HA3 0.469 4.429 3.960 -0.001 0.000 0.304 294 G C -1.975 172.969 174.900 0.073 0.000 1.315 294 G CA -0.871 44.235 45.100 0.010 0.000 0.791 294 G HN -0.005 nan 8.290 nan 0.000 0.519 295 D N 1.477 121.870 120.400 -0.010 0.000 2.525 295 D HA 0.291 4.930 4.640 -0.001 0.000 0.235 295 D C 0.313 176.548 176.300 -0.110 0.000 1.137 295 D CA 0.956 54.890 54.000 -0.110 0.000 0.868 295 D CB 0.293 40.995 40.800 -0.164 0.000 1.180 295 D HN 0.567 nan 8.370 nan 0.000 0.465 296 H N -0.669 118.243 119.070 -0.263 0.000 2.960 296 H HA 0.462 5.018 4.556 -0.001 0.000 0.323 296 H C -1.323 173.849 175.328 -0.260 0.000 1.326 296 H CA -0.833 55.076 56.048 -0.231 0.000 1.124 296 H CB 0.481 30.244 29.762 0.001 0.000 1.853 296 H HN 0.336 nan 8.280 nan 0.000 0.536 297 Y N -0.198 120.300 120.300 0.331 0.000 2.605 297 Y HA 0.412 4.962 4.550 -0.001 0.000 0.343 297 Y C -0.440 175.690 175.900 0.384 0.000 1.036 297 Y CA -1.268 57.013 58.100 0.301 0.000 1.065 297 Y CB 1.982 40.449 38.460 0.011 0.000 1.288 297 Y HN 0.440 nan 8.280 nan 0.000 0.481 298 L N 1.219 122.742 121.223 0.499 0.000 2.255 298 L HA 0.389 4.729 4.340 -0.001 0.000 0.289 298 L C 0.100 176.933 176.870 -0.061 0.000 1.046 298 L CA 0.058 54.876 54.840 -0.036 0.000 0.816 298 L CB 0.443 42.476 42.059 -0.043 0.000 1.197 298 L HN 1.001 nan 8.230 nan 0.000 0.427 299 C N 3.112 122.288 119.300 -0.206 0.000 2.508 299 C HA 0.072 4.532 4.460 -0.001 0.000 0.280 299 C C 0.804 175.714 174.990 -0.133 0.000 1.262 299 C CA 0.785 59.685 59.018 -0.197 0.000 1.706 299 C CB -0.585 27.071 27.740 -0.141 0.000 2.078 299 C HN 0.956 nan 8.230 nan 0.000 0.480 300 D N -1.665 118.650 120.400 -0.141 0.000 2.663 300 D HA 0.321 4.961 4.640 -0.001 0.000 0.233 300 D C -1.832 174.238 176.300 -0.385 0.000 1.240 300 D CA -0.122 53.860 54.000 -0.030 0.000 0.774 300 D CB 1.648 42.427 40.800 -0.035 0.000 1.443 300 D HN 0.087 nan 8.370 nan 0.000 0.441 301 V N 0.543 120.142 119.914 -0.525 0.000 2.680 301 V HA 0.866 4.986 4.120 -0.001 0.000 0.309 301 V C -0.269 175.430 176.094 -0.659 0.000 1.052 301 V CA -0.481 61.229 62.300 -0.983 0.000 0.908 301 V CB 1.332 31.904 31.823 -2.084 0.000 1.001 301 V HN 0.815 nan 8.190 nan 0.000 0.431 302 A N 3.573 126.034 122.820 -0.598 0.000 2.550 302 A HA 0.545 4.864 4.320 -0.001 0.000 0.282 302 A C -1.380 176.019 177.584 -0.308 0.000 1.071 302 A CA -0.591 51.263 52.037 -0.306 0.000 0.838 302 A CB 0.404 19.287 19.000 -0.195 0.000 1.361 302 A HN 0.769 nan 8.150 nan 0.000 0.408 303 W N 2.844 124.069 121.300 -0.126 0.000 2.308 303 W HA 0.305 4.964 4.660 -0.000 0.000 0.324 303 W C 1.114 177.552 176.519 -0.135 0.000 1.387 303 W CA 0.326 57.614 57.345 -0.094 0.000 1.250 303 W CB 0.980 30.470 29.460 0.049 0.000 1.257 303 W HN 0.496 nan 8.180 nan 0.000 0.554 304 V N 2.566 122.466 119.914 -0.023 0.000 2.341 304 V HA -0.057 4.063 4.120 -0.001 0.000 0.240 304 V C 1.058 177.196 176.094 0.074 0.000 1.035 304 V CA 1.775 63.947 62.300 -0.213 0.000 1.033 304 V CB -0.245 31.174 31.823 -0.673 0.000 0.678 304 V HN 0.616 nan 8.190 nan 0.000 0.464 305 S N -1.304 114.505 115.700 0.181 0.000 2.903 305 S HA 0.361 4.831 4.470 -0.001 0.000 0.314 305 S C 0.356 175.149 174.600 0.321 0.000 1.177 305 S CA -0.211 58.116 58.200 0.212 0.000 0.859 305 S CB 1.766 65.068 63.200 0.170 0.000 1.265 305 S HN 0.224 nan 8.310 nan 0.000 0.584 306 E N -0.337 120.018 120.200 0.258 0.000 2.476 306 E HA 0.111 4.461 4.350 -0.001 0.000 0.191 306 E C -0.369 176.533 176.600 0.503 0.000 1.064 306 E CA 0.251 56.835 56.400 0.307 0.000 0.866 306 E CB 0.014 29.820 29.700 0.176 0.000 0.952 306 E HN 0.523 nan 8.360 nan 0.000 0.492 307 D N -0.012 120.648 120.400 0.433 0.000 2.539 307 D HA 0.109 4.748 4.640 -0.001 0.000 0.232 307 D C -0.347 176.187 176.300 0.391 0.000 1.256 307 D CA -0.005 54.206 54.000 0.352 0.000 0.810 307 D CB 0.727 41.661 40.800 0.223 0.000 1.090 307 D HN -0.020 nan 8.370 nan 0.000 0.519 308 R N 1.023 121.805 120.500 0.471 0.000 2.564 308 R HA 0.599 4.939 4.340 -0.001 0.000 0.284 308 R C -1.900 174.480 176.300 0.134 0.000 1.031 308 R CA -0.510 55.758 56.100 0.280 0.000 0.904 308 R CB 1.977 32.325 30.300 0.080 0.000 1.199 308 R HN -0.048 nan 8.270 nan 0.000 0.443 309 I N 1.898 122.376 120.570 -0.154 0.000 2.730 309 I HA 0.414 4.583 4.170 -0.001 0.000 0.298 309 I C -1.235 174.556 176.117 -0.542 0.000 1.089 309 I CA -0.561 60.384 61.300 -0.590 0.000 1.041 309 I CB 2.478 39.728 38.000 -1.250 0.000 1.235 309 I HN 0.683 nan 8.210 nan 0.000 0.423 310 S N 7.178 122.512 115.700 -0.609 0.000 2.454 310 S HA 0.729 5.199 4.470 -0.001 0.000 0.306 310 S C -1.216 173.029 174.600 -0.592 0.000 1.100 310 S CA -0.564 57.336 58.200 -0.501 0.000 1.087 310 S CB 0.766 63.725 63.200 -0.402 0.000 1.019 310 S HN 0.495 nan 8.310 nan 0.000 0.480 311 L N 4.277 125.186 121.223 -0.525 0.000 2.410 311 L HA 0.553 4.893 4.340 -0.001 0.000 0.270 311 L C -0.353 176.210 176.870 -0.513 0.000 0.983 311 L CA -0.646 53.785 54.840 -0.681 0.000 0.822 311 L CB 2.160 43.752 42.059 -0.779 0.000 1.285 311 L HN 0.592 nan 8.230 nan 0.000 0.409 312 Q N 2.085 121.523 119.800 -0.605 0.000 2.316 312 Q HA 0.427 4.767 4.340 -0.001 0.000 0.264 312 Q C -1.698 174.008 176.000 -0.490 0.000 0.987 312 Q CA -0.575 55.004 55.803 -0.373 0.000 0.852 312 Q CB 2.606 31.197 28.738 -0.244 0.000 1.287 312 Q HN 0.449 nan 8.270 nan 0.000 0.448 313 W N 2.153 123.410 121.300 -0.073 0.000 2.781 313 W HA 0.614 5.273 4.660 -0.001 0.000 0.345 313 W C -0.826 175.729 176.519 0.060 0.000 1.085 313 W CA -0.583 56.768 57.345 0.009 0.000 1.198 313 W CB 1.133 30.582 29.460 -0.019 0.000 1.423 313 W HN 0.378 nan 8.180 nan 0.000 0.532 314 L N 2.150 123.610 121.223 0.395 0.000 2.388 314 L HA 0.591 4.930 4.340 -0.001 0.000 0.264 314 L C -0.199 176.896 176.870 0.374 0.000 0.998 314 L CA -1.183 53.852 54.840 0.324 0.000 0.817 314 L CB 1.656 43.867 42.059 0.252 0.000 1.338 314 L HN 0.400 nan 8.230 nan 0.000 0.414 315 R N 1.855 122.535 120.500 0.300 0.000 2.560 315 R HA 0.329 4.669 4.340 -0.001 0.000 0.270 315 R C 0.900 177.314 176.300 0.190 0.000 1.074 315 R CA -0.459 55.764 56.100 0.205 0.000 1.140 315 R CB 0.730 31.117 30.300 0.144 0.000 1.073 315 R HN 0.595 nan 8.270 nan 0.000 0.527 316 R N 1.132 121.656 120.500 0.040 0.000 2.139 316 R HA -0.085 4.255 4.340 -0.001 0.000 0.243 316 R C 0.372 176.763 176.300 0.153 0.000 1.145 316 R CA 1.262 57.386 56.100 0.040 0.000 0.976 316 R CB 0.164 30.408 30.300 -0.094 0.000 0.866 316 R HN 0.377 nan 8.270 nan 0.000 0.449 317 I N 2.805 123.428 120.570 0.089 0.000 2.269 317 I HA 0.025 4.195 4.170 -0.001 0.000 0.293 317 I C 0.186 176.360 176.117 0.095 0.000 1.106 317 I CA 0.177 61.516 61.300 0.065 0.000 1.248 317 I CB 0.993 39.015 38.000 0.036 0.000 1.444 317 I HN 0.290 nan 8.210 nan 0.000 0.497 318 Q N 3.529 123.379 119.800 0.083 0.000 2.401 318 Q HA -0.089 4.250 4.340 -0.001 0.000 0.202 318 Q C 1.289 177.352 176.000 0.105 0.000 0.914 318 Q CA 0.208 56.067 55.803 0.093 0.000 1.006 318 Q CB -0.471 28.272 28.738 0.010 0.000 1.041 318 Q HN 0.581 nan 8.270 nan 0.000 0.501 319 N N -0.415 118.351 118.700 0.109 0.000 2.171 319 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 319 N C -0.267 175.337 175.510 0.158 0.000 1.021 319 N CA 0.452 53.562 53.050 0.102 0.000 0.854 319 N CB 0.329 38.870 38.487 0.091 0.000 0.994 319 N HN 0.255 nan 8.380 nan 0.000 0.426 320 Y N 0.137 120.458 120.300 0.034 0.000 2.429 320 Y HA 0.427 4.977 4.550 -0.001 0.000 0.342 320 Y C -0.873 175.062 175.900 0.058 0.000 1.004 320 Y CA -0.683 57.439 58.100 0.037 0.000 1.075 320 Y CB 1.754 40.229 38.460 0.025 0.000 1.214 320 Y HN -0.282 nan 8.280 nan 0.000 0.455 321 S N 4.170 119.714 115.700 -0.261 0.000 2.546 321 S HA 0.814 5.284 4.470 -0.001 0.000 0.274 321 S C -2.218 172.197 174.600 -0.308 0.000 1.121 321 S CA -0.537 57.582 58.200 -0.135 0.000 0.887 321 S CB 1.369 64.535 63.200 -0.056 0.000 1.094 321 S HN 0.539 nan 8.310 nan 0.000 0.474 322 V N 5.051 124.926 119.914 -0.065 0.000 2.638 322 V HA 0.558 4.677 4.120 -0.001 0.000 0.306 322 V C -0.468 175.658 176.094 0.054 0.000 1.052 322 V CA -0.611 61.669 62.300 -0.033 0.000 0.885 322 V CB 1.908 33.766 31.823 0.057 0.000 0.999 322 V HN 0.943 nan 8.190 nan 0.000 0.424 323 M N 5.114 124.717 119.600 0.006 0.000 2.023 323 M HA 0.708 5.188 4.480 -0.001 0.000 0.325 323 M C -0.225 176.080 176.300 0.008 0.000 0.963 323 M CA -0.472 54.803 55.300 -0.041 0.000 0.928 323 M CB 0.906 33.409 32.600 -0.161 0.000 1.429 323 M HN 0.776 nan 8.290 nan 0.000 0.404 324 A N 5.740 128.576 122.820 0.026 0.000 2.316 324 A HA 0.723 5.043 4.320 -0.001 0.000 0.284 324 A C -0.622 176.930 177.584 -0.054 0.000 1.115 324 A CA -0.599 51.446 52.037 0.013 0.000 0.812 324 A CB 0.529 19.549 19.000 0.033 0.000 1.064 324 A HN 0.914 nan 8.150 nan 0.000 0.489 325 I N 1.581 122.143 120.570 -0.014 0.000 2.355 325 I HA 0.267 4.437 4.170 -0.001 0.000 0.288 325 I C -0.768 175.336 176.117 -0.022 0.000 0.999 325 I CA -0.316 60.958 61.300 -0.044 0.000 1.163 325 I CB 1.323 39.359 38.000 0.060 0.000 1.316 325 I HN 0.521 nan 8.210 nan 0.000 0.454 326 c N 4.312 122.885 118.600 -0.045 0.000 2.382 326 c HA 0.486 5.055 4.570 -0.001 0.000 0.327 326 c C -0.154 174.064 174.090 0.213 0.000 1.250 326 c CA -0.787 55.587 56.329 0.073 0.000 1.707 326 c CB 1.105 43.655 42.510 0.066 0.000 2.272 326 c HN 0.611 nan 8.230 nan 0.000 0.506 327 D N 0.427 120.946 120.400 0.198 0.000 2.248 327 D HA 0.214 4.854 4.640 -0.001 0.000 0.246 327 D C -0.985 175.289 176.300 -0.043 0.000 1.027 327 D CA -0.182 53.897 54.000 0.132 0.000 0.853 327 D CB 1.719 42.544 40.800 0.041 0.000 1.243 327 D HN 0.614 nan 8.370 nan 0.000 0.462 328 Y N 1.908 121.893 120.300 -0.524 0.000 2.365 328 Y HA 0.079 4.628 4.550 -0.001 0.000 0.340 328 Y C 0.028 175.631 175.900 -0.496 0.000 1.016 328 Y CA -0.488 56.966 58.100 -1.077 0.000 1.196 328 Y CB 0.557 38.141 38.460 -1.461 0.000 1.167 328 Y HN 0.150 nan 8.280 nan 0.000 0.509 329 D N 6.086 125.893 120.400 -0.989 0.000 2.365 329 D HA 0.076 4.716 4.640 -0.001 0.000 0.237 329 D C 0.341 176.081 176.300 -0.933 0.000 1.190 329 D CA 0.004 53.592 54.000 -0.687 0.000 0.867 329 D CB 0.987 41.533 40.800 -0.424 0.000 1.050 329 D HN 0.752 nan 8.370 nan 0.000 0.491 330 K N 1.705 121.756 120.400 -0.582 0.000 2.209 330 K HA -0.083 4.237 4.320 -0.001 0.000 0.204 330 K C 1.707 178.178 176.600 -0.215 0.000 1.048 330 K CA 0.972 57.053 56.287 -0.343 0.000 0.940 330 K CB 0.196 32.646 32.500 -0.083 0.000 0.729 330 K HN 0.357 nan 8.250 nan 0.000 0.451 331 T N 0.843 115.278 114.554 -0.197 0.000 2.571 331 T HA -0.089 4.261 4.350 -0.001 0.000 0.255 331 T C 1.614 176.244 174.700 -0.116 0.000 1.100 331 T CA 1.667 63.696 62.100 -0.119 0.000 1.199 331 T CB -0.298 68.513 68.868 -0.096 0.000 0.870 331 T HN 0.207 nan 8.240 nan 0.000 0.399 332 T N 2.636 117.108 114.554 -0.136 0.000 3.308 332 T HA 0.216 4.566 4.350 -0.001 0.000 0.255 332 T C 0.705 175.338 174.700 -0.111 0.000 1.162 332 T CA -0.018 62.022 62.100 -0.099 0.000 1.031 332 T CB -1.042 67.774 68.868 -0.085 0.000 0.973 332 T HN 0.365 nan 8.240 nan 0.000 0.544 333 L N 0.550 121.661 121.223 -0.187 0.000 3.965 333 L HA -0.164 4.176 4.340 -0.001 0.000 0.499 333 L C -0.368 176.465 176.870 -0.061 0.000 1.194 333 L CA -0.142 54.614 54.840 -0.141 0.000 0.707 333 L CB -1.847 40.265 42.059 0.089 0.000 1.414 333 L HN 0.157 nan 8.230 nan 0.000 0.802 334 V N -1.246 118.512 119.914 -0.261 0.000 3.114 334 V HA 0.523 4.643 4.120 -0.001 0.000 0.308 334 V C -0.538 175.434 176.094 -0.203 0.000 1.168 334 V CA -0.795 61.465 62.300 -0.067 0.000 1.015 334 V CB 2.344 34.147 31.823 -0.034 0.000 1.050 334 V HN 0.286 nan 8.190 nan 0.000 0.433 335 W N 2.118 123.441 121.300 0.038 0.000 2.469 335 W HA 0.583 5.243 4.660 -0.001 0.000 0.320 335 W C 0.095 176.600 176.519 -0.024 0.000 1.086 335 W CA -0.297 57.066 57.345 0.029 0.000 1.211 335 W CB 0.943 30.420 29.460 0.029 0.000 1.298 335 W HN 0.394 nan 8.180 nan 0.000 0.525 336 N N 2.199 120.981 118.700 0.136 0.000 2.321 336 N HA 0.392 5.131 4.740 -0.001 0.000 0.299 336 N C -1.445 174.106 175.510 0.068 0.000 1.048 336 N CA -0.493 52.594 53.050 0.063 0.000 0.836 336 N CB 1.805 40.291 38.487 -0.003 0.000 1.269 336 N HN 0.270 nan 8.380 nan 0.000 0.486 337 c N 2.629 121.247 118.600 0.030 0.000 2.955 337 c HA 0.296 4.866 4.570 -0.001 0.000 0.262 337 c C -1.959 172.121 174.090 -0.015 0.000 1.279 337 c CA -1.446 54.887 56.329 0.007 0.000 1.615 337 c CB -0.514 41.987 42.510 -0.016 0.000 1.755 337 c HN 0.514 nan 8.230 nan 0.000 0.452 338 P HA 0.058 nan 4.420 nan 0.000 0.265 338 P C 1.059 178.340 177.300 -0.031 0.000 1.193 338 P CA 0.697 63.785 63.100 -0.021 0.000 0.765 338 P CB 0.759 32.451 31.700 -0.012 0.000 0.823 339 T N -1.142 113.388 114.554 -0.040 0.000 3.077 339 T HA -0.104 4.246 4.350 -0.001 0.000 0.269 339 T C 1.279 175.944 174.700 -0.058 0.000 1.146 339 T CA 1.347 63.418 62.100 -0.048 0.000 1.091 339 T CB -1.178 67.663 68.868 -0.044 0.000 0.892 339 T HN 0.385 nan 8.240 nan 0.000 0.533 340 T N 2.119 116.643 114.554 -0.049 0.000 2.995 340 T HA -0.019 4.331 4.350 -0.001 0.000 0.269 340 T C 1.388 176.031 174.700 -0.094 0.000 1.091 340 T CA 0.819 62.885 62.100 -0.056 0.000 1.128 340 T CB -0.177 68.674 68.868 -0.029 0.000 0.891 340 T HN 0.608 nan 8.240 nan 0.000 0.492 341 Q N 0.041 119.793 119.800 -0.079 0.000 2.206 341 Q HA 0.290 4.629 4.340 -0.001 0.000 0.265 341 Q C 1.113 177.046 176.000 -0.113 0.000 0.866 341 Q CA -0.222 55.530 55.803 -0.086 0.000 1.073 341 Q CB 0.613 29.374 28.738 0.038 0.000 1.165 341 Q HN 0.298 nan 8.270 nan 0.000 0.465 342 E N 0.665 120.766 120.200 -0.164 0.000 2.015 342 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 342 E C -0.506 176.074 176.600 -0.032 0.000 0.991 342 E CA 0.960 57.308 56.400 -0.086 0.000 0.802 342 E CB 0.253 29.914 29.700 -0.065 0.000 0.759 342 E HN 0.274 nan 8.360 nan 0.000 0.447 343 H N -0.771 118.304 119.070 0.008 0.000 3.665 343 H HA -0.149 4.407 4.556 -0.001 0.000 0.316 343 H C -0.760 174.525 175.328 -0.072 0.000 0.870 343 H CA 0.868 56.910 56.048 -0.011 0.000 0.947 343 H CB -1.612 28.132 29.762 -0.030 0.000 1.453 343 H HN 0.190 nan 8.280 nan 0.000 0.339 344 I N 2.799 123.387 120.570 0.031 0.000 2.392 344 I HA 0.238 4.407 4.170 -0.001 0.000 0.295 344 I C 0.734 176.786 176.117 -0.109 0.000 0.985 344 I CA -0.252 60.969 61.300 -0.132 0.000 1.221 344 I CB 1.931 39.832 38.000 -0.166 0.000 1.366 344 I HN 0.408 nan 8.210 nan 0.000 0.467 345 E N 3.924 124.004 120.200 -0.199 0.000 2.199 345 E HA 0.572 4.922 4.350 -0.001 0.000 0.269 345 E C -1.203 175.313 176.600 -0.140 0.000 0.899 345 E CA -0.332 56.007 56.400 -0.102 0.000 0.772 345 E CB 1.981 31.643 29.700 -0.063 0.000 1.155 345 E HN 0.551 nan 8.360 nan 0.000 0.408 346 T N 1.225 115.750 114.554 -0.048 0.000 2.812 346 T HA 0.535 4.885 4.350 -0.001 0.000 0.294 346 T C -1.616 173.086 174.700 0.003 0.000 1.159 346 T CA -0.644 61.448 62.100 -0.013 0.000 1.008 346 T CB 1.709 70.590 68.868 0.022 0.000 1.289 346 T HN 0.291 nan 8.240 nan 0.000 0.514 347 S N -0.080 115.625 115.700 0.007 0.000 2.626 347 S HA 0.601 5.070 4.470 -0.001 0.000 0.275 347 S C 0.022 174.604 174.600 -0.031 0.000 1.175 347 S CA -0.039 58.147 58.200 -0.025 0.000 0.982 347 S CB 0.848 64.002 63.200 -0.076 0.000 1.093 347 S HN 0.861 nan 8.310 nan 0.000 0.472 348 A N 3.304 126.109 122.820 -0.025 0.000 2.308 348 A HA 0.305 4.624 4.320 -0.001 0.000 0.217 348 A C 1.320 178.878 177.584 -0.044 0.000 1.216 348 A CA 0.651 52.675 52.037 -0.022 0.000 0.864 348 A CB -0.227 18.770 19.000 -0.005 0.000 0.902 348 A HN 0.749 nan 8.150 nan 0.000 0.499 349 T N -1.906 112.604 114.554 -0.073 0.000 2.990 349 T HA 0.445 4.795 4.350 -0.001 0.000 0.249 349 T C 1.174 175.657 174.700 -0.362 0.000 1.039 349 T CA 0.863 62.912 62.100 -0.084 0.000 1.036 349 T CB 0.692 69.639 68.868 0.132 0.000 0.994 349 T HN 0.599 nan 8.240 nan 0.000 0.489 350 G N 0.573 109.001 108.800 -0.620 0.000 3.262 350 G HA2 0.423 4.383 3.960 -0.001 0.000 0.148 350 G HA3 0.423 4.383 3.960 -0.001 0.000 0.148 350 G C -1.574 173.123 174.900 -0.338 0.000 1.197 350 G CA -0.275 44.392 45.100 -0.721 0.000 1.469 350 G HN 0.432 nan 8.290 nan 0.000 0.717 351 W N -0.545 120.471 121.300 -0.473 0.000 2.958 351 W HA 0.776 5.435 4.660 -0.001 0.000 0.339 351 W C -0.647 175.820 176.519 -0.086 0.000 1.174 351 W CA -1.372 55.832 57.345 -0.235 0.000 1.064 351 W CB 0.744 30.023 29.460 -0.302 0.000 1.471 351 W HN 0.411 nan 8.180 nan 0.000 0.599 352 C N 2.943 122.328 119.300 0.142 0.000 2.347 352 C HA 0.789 5.248 4.460 -0.001 0.000 0.353 352 C C 1.020 176.098 174.990 0.146 0.000 1.273 352 C CA 1.066 60.128 59.018 0.074 0.000 1.861 352 C CB -0.543 27.232 27.740 0.059 0.000 2.420 352 C HN 1.186 nan 8.230 nan 0.000 0.542 353 G N 4.533 113.379 108.800 0.077 0.000 2.750 353 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.228 353 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.228 353 G C 0.528 175.550 174.900 0.204 0.000 1.367 353 G CA -0.157 45.018 45.100 0.124 0.000 0.871 353 G HN 0.739 nan 8.290 nan 0.000 0.560 354 R N -1.234 119.415 120.500 0.248 0.000 2.055 354 R HA 0.163 4.503 4.340 -0.001 0.000 0.226 354 R C 1.849 178.330 176.300 0.302 0.000 1.135 354 R CA 1.988 58.271 56.100 0.304 0.000 0.959 354 R CB -0.072 30.446 30.300 0.363 0.000 0.854 354 R HN 0.443 nan 8.270 nan 0.000 0.431 355 F N -0.499 119.577 119.950 0.211 0.000 2.856 355 F HA 0.270 4.797 4.527 -0.000 0.000 0.338 355 F C -0.130 175.685 175.800 0.026 0.000 1.100 355 F CA -0.448 57.621 58.000 0.115 0.000 1.150 355 F CB 0.778 39.849 39.000 0.119 0.000 1.101 355 F HN -0.075 nan 8.300 nan 0.000 0.548 356 R N -2.137 118.503 120.500 0.232 0.000 3.429 356 R HA 0.265 4.605 4.340 -0.001 0.000 0.277 356 R C -3.401 172.966 176.300 0.112 0.000 0.978 356 R CA -1.599 54.563 56.100 0.104 0.000 0.891 356 R CB -0.558 29.754 30.300 0.021 0.000 1.299 356 R HN -0.347 nan 8.270 nan 0.000 0.541 357 P HA -0.029 nan 4.420 nan 0.000 0.264 357 P C -0.431 176.907 177.300 0.062 0.000 1.173 357 P CA 0.709 63.837 63.100 0.047 0.000 0.761 357 P CB 0.443 32.142 31.700 -0.002 0.000 0.794 358 A N 2.591 125.460 122.820 0.081 0.000 2.366 358 A HA 0.159 4.479 4.320 -0.001 0.000 0.249 358 A C 0.379 178.006 177.584 0.072 0.000 1.084 358 A CA -0.297 51.806 52.037 0.110 0.000 0.794 358 A CB -0.067 19.020 19.000 0.145 0.000 1.034 358 A HN 0.589 nan 8.150 nan 0.000 0.491 359 E N 1.238 121.495 120.200 0.094 0.000 2.331 359 E HA 0.345 4.695 4.350 -0.001 0.000 0.272 359 E C -2.286 174.301 176.600 -0.023 0.000 1.036 359 E CA -1.884 54.520 56.400 0.006 0.000 0.864 359 E CB 0.755 30.451 29.700 -0.008 0.000 1.035 359 E HN 0.466 nan 8.360 nan 0.000 0.408 360 P HA 0.136 nan 4.420 nan 0.000 0.281 360 P C -1.207 175.989 177.300 -0.174 0.000 1.249 360 P CA -0.153 62.885 63.100 -0.103 0.000 0.810 360 P CB 0.821 32.301 31.700 -0.366 0.000 1.008 361 H N 1.885 121.053 119.070 0.164 0.000 2.887 361 H HA 0.294 4.849 4.556 -0.001 0.000 0.300 361 H C -0.343 175.141 175.328 0.261 0.000 1.038 361 H CA -0.311 55.893 56.048 0.259 0.000 1.352 361 H CB 0.301 30.216 29.762 0.256 0.000 1.473 361 H HN 0.290 nan 8.280 nan 0.000 0.503 362 F N 1.824 121.956 119.950 0.304 0.000 2.382 362 F HA 0.079 4.606 4.527 -0.001 0.000 0.331 362 F C 1.701 177.685 175.800 0.307 0.000 1.121 362 F CA -0.339 57.845 58.000 0.307 0.000 1.183 362 F CB 0.987 40.102 39.000 0.191 0.000 1.207 362 F HN 0.364 nan 8.300 nan 0.000 0.555 363 T N -1.723 113.097 114.554 0.444 0.000 2.766 363 T HA 0.052 4.401 4.350 -0.001 0.000 0.295 363 T C 1.419 176.305 174.700 0.311 0.000 1.024 363 T CA -0.158 62.152 62.100 0.350 0.000 1.018 363 T CB 1.010 70.051 68.868 0.289 0.000 1.002 363 T HN 0.601 nan 8.240 nan 0.000 0.532 364 S N 0.760 116.601 115.700 0.234 0.000 2.380 364 S HA -0.178 4.292 4.470 -0.001 0.000 0.229 364 S C 1.413 176.126 174.600 0.189 0.000 1.043 364 S CA 1.815 60.131 58.200 0.193 0.000 1.038 364 S CB -0.969 62.320 63.200 0.147 0.000 0.872 364 S HN 0.922 nan 8.310 nan 0.000 0.456 365 D N -0.612 119.901 120.400 0.188 0.000 2.395 365 D HA 0.197 4.837 4.640 -0.001 0.000 0.226 365 D C 1.100 177.529 176.300 0.214 0.000 1.146 365 D CA 0.602 54.705 54.000 0.172 0.000 0.830 365 D CB -0.876 40.008 40.800 0.141 0.000 0.958 365 D HN 0.456 nan 8.370 nan 0.000 0.501 366 G N 1.580 110.556 108.800 0.293 0.000 2.420 366 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.305 366 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.305 366 G C 1.125 176.291 174.900 0.444 0.000 0.971 366 G CA 1.179 46.537 45.100 0.430 0.000 0.843 366 G HN 0.549 nan 8.290 nan 0.000 0.512 367 S N -1.929 113.962 115.700 0.320 0.000 2.425 367 S HA 0.407 4.876 4.470 -0.001 0.000 0.225 367 S C 1.090 175.829 174.600 0.232 0.000 1.024 367 S CA 1.083 59.428 58.200 0.243 0.000 0.951 367 S CB 0.369 63.664 63.200 0.159 0.000 0.796 367 S HN 0.808 nan 8.310 nan 0.000 0.498 368 S N 0.562 116.384 115.700 0.203 0.000 2.661 368 S HA 0.820 5.290 4.470 -0.001 0.000 0.285 368 S C -1.084 173.476 174.600 -0.067 0.000 1.138 368 S CA -0.981 57.217 58.200 -0.005 0.000 0.855 368 S CB 1.651 64.768 63.200 -0.139 0.000 1.136 368 S HN 0.609 nan 8.310 nan 0.000 0.484 369 F N -1.209 118.453 119.950 -0.480 0.000 2.641 369 F HA 0.755 5.281 4.527 -0.001 0.000 0.308 369 F C -2.139 173.414 175.800 -0.411 0.000 1.105 369 F CA -1.335 56.304 58.000 -0.601 0.000 0.964 369 F CB 0.582 38.705 39.000 -1.461 0.000 1.294 369 F HN 0.472 nan 8.300 nan 0.000 0.442 370 Y N 1.797 122.158 120.300 0.101 0.000 2.360 370 Y HA 0.674 5.224 4.550 -0.001 0.000 0.337 370 Y C -0.095 175.957 175.900 0.252 0.000 1.039 370 Y CA -0.840 57.313 58.100 0.088 0.000 1.109 370 Y CB 1.944 40.426 38.460 0.036 0.000 1.201 370 Y HN 0.739 nan 8.280 nan 0.000 0.458 371 K N 3.239 123.853 120.400 0.357 0.000 2.525 371 K HA 0.510 4.830 4.320 -0.001 0.000 0.254 371 K C -1.572 175.165 176.600 0.229 0.000 0.934 371 K CA -0.591 55.903 56.287 0.345 0.000 0.802 371 K CB 1.569 34.288 32.500 0.365 0.000 1.295 371 K HN 0.724 nan 8.250 nan 0.000 0.433 372 I N 4.897 125.583 120.570 0.193 0.000 2.452 372 I HA 0.143 4.313 4.170 -0.001 0.000 0.287 372 I C 0.081 176.283 176.117 0.142 0.000 1.079 372 I CA -0.300 61.086 61.300 0.142 0.000 1.387 372 I CB 0.794 38.875 38.000 0.136 0.000 1.404 372 I HN 0.369 nan 8.210 nan 0.000 0.522 373 V N 1.873 121.879 119.914 0.153 0.000 3.188 373 V HA 0.522 4.641 4.120 -0.001 0.000 0.305 373 V C -0.177 176.053 176.094 0.226 0.000 1.232 373 V CA -0.793 61.605 62.300 0.163 0.000 1.043 373 V CB 1.817 33.738 31.823 0.163 0.000 1.068 373 V HN 0.580 nan 8.190 nan 0.000 0.439 374 S N 2.293 118.065 115.700 0.121 0.000 2.549 374 S HA 0.380 4.849 4.470 -0.001 0.000 0.279 374 S C -0.250 174.408 174.600 0.096 0.000 1.321 374 S CA 0.014 58.225 58.200 0.018 0.000 1.054 374 S CB 0.352 63.493 63.200 -0.098 0.000 0.899 374 S HN 1.119 nan 8.310 nan 0.000 0.497 375 D N 1.501 121.775 120.400 -0.211 0.000 2.451 375 D HA 0.228 4.867 4.640 -0.001 0.000 0.259 375 D C 0.988 177.124 176.300 -0.273 0.000 1.201 375 D CA -0.799 52.827 54.000 -0.623 0.000 1.028 375 D CB 0.360 40.440 40.800 -1.199 0.000 1.095 375 D HN 0.352 nan 8.370 nan 0.000 0.539 376 K N -0.992 119.251 120.400 -0.262 0.000 2.173 376 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 376 K C 0.419 176.961 176.600 -0.098 0.000 1.046 376 K CA 1.609 57.820 56.287 -0.126 0.000 0.929 376 K CB -0.078 32.357 32.500 -0.109 0.000 0.720 376 K HN 0.385 nan 8.250 nan 0.000 0.453 377 D N -1.152 119.191 120.400 -0.095 0.000 2.340 377 D HA 0.053 4.693 4.640 -0.001 0.000 0.220 377 D C 0.681 176.991 176.300 0.016 0.000 1.039 377 D CA 0.893 54.897 54.000 0.007 0.000 0.866 377 D CB 0.691 41.529 40.800 0.064 0.000 0.913 377 D HN 0.465 nan 8.370 nan 0.000 0.523 378 G N 0.983 109.716 108.800 -0.111 0.000 2.149 378 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.235 378 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.235 378 G C -0.445 174.159 174.900 -0.493 0.000 1.018 378 G CA -0.370 44.563 45.100 -0.280 0.000 0.728 378 G HN 0.273 nan 8.290 nan 0.000 0.508 379 Y N -0.309 119.773 120.300 -0.364 0.000 2.328 379 Y HA 0.589 5.139 4.550 -0.001 0.000 0.337 379 Y C 0.669 176.220 175.900 -0.582 0.000 0.966 379 Y CA -1.266 56.528 58.100 -0.510 0.000 1.136 379 Y CB 1.570 39.625 38.460 -0.676 0.000 1.170 379 Y HN 0.006 nan 8.280 nan 0.000 0.470 380 K N 3.537 123.712 120.400 -0.374 0.000 2.361 380 K HA 0.121 4.440 4.320 -0.001 0.000 0.283 380 K C -0.972 175.443 176.600 -0.308 0.000 1.078 380 K CA 0.664 56.819 56.287 -0.220 0.000 1.041 380 K CB -0.415 32.021 32.500 -0.108 0.000 0.932 380 K HN 0.670 nan 8.250 nan 0.000 0.462 381 H N 0.830 119.910 119.070 0.017 0.000 2.908 381 H HA 0.485 5.041 4.556 -0.001 0.000 0.350 381 H C -0.355 175.011 175.328 0.063 0.000 1.217 381 H CA -1.246 54.779 56.048 -0.038 0.000 1.168 381 H CB 1.510 31.223 29.762 -0.082 0.000 1.891 381 H HN 0.288 nan 8.280 nan 0.000 0.566 382 I N 2.480 123.108 120.570 0.098 0.000 2.342 382 I HA 0.230 4.400 4.170 -0.001 0.000 0.291 382 I C -0.187 175.852 176.117 -0.129 0.000 1.010 382 I CA -0.305 60.980 61.300 -0.025 0.000 1.308 382 I CB 0.204 38.126 38.000 -0.130 0.000 1.400 382 I HN 0.479 nan 8.210 nan 0.000 0.488 383 c N 3.164 121.575 118.600 -0.315 0.000 2.994 383 c HA 0.552 5.122 4.570 -0.001 0.000 0.304 383 c C -0.415 173.293 174.090 -0.636 0.000 1.273 383 c CA -0.967 54.996 56.329 -0.610 0.000 1.537 383 c CB 1.402 43.120 42.510 -1.321 0.000 2.001 383 c HN 0.749 nan 8.230 nan 0.000 0.471 384 Q N 0.355 119.737 119.800 -0.697 0.000 2.259 384 Q HA 0.681 5.021 4.340 -0.001 0.000 0.246 384 Q C -1.442 173.936 176.000 -1.036 0.000 0.920 384 Q CA 0.095 55.398 55.803 -0.833 0.000 0.895 384 Q CB 1.144 29.509 28.738 -0.621 0.000 1.220 384 Q HN 0.711 nan 8.270 nan 0.000 0.439 385 F N 0.253 119.629 119.950 -0.957 0.000 2.599 385 F HA 0.332 4.859 4.527 -0.001 0.000 0.311 385 F C -0.121 175.219 175.800 -0.766 0.000 1.076 385 F CA -1.025 56.367 58.000 -1.014 0.000 0.937 385 F CB 1.931 39.710 39.000 -2.035 0.000 1.282 385 F HN 0.247 nan 8.300 nan 0.000 0.460 386 Q N 1.586 121.295 119.800 -0.152 0.000 2.266 386 Q HA 0.237 4.576 4.340 -0.001 0.000 0.261 386 Q C 0.970 177.118 176.000 0.247 0.000 0.985 386 Q CA -0.600 55.207 55.803 0.006 0.000 0.873 386 Q CB 2.104 30.862 28.738 0.033 0.000 1.306 386 Q HN 0.745 nan 8.270 nan 0.000 0.447 387 K N 1.837 122.428 120.400 0.318 0.000 2.032 387 K HA -0.188 4.132 4.320 -0.001 0.000 0.218 387 K C -0.390 176.460 176.600 0.417 0.000 1.054 387 K CA 1.632 58.198 56.287 0.466 0.000 0.941 387 K CB 0.124 32.820 32.500 0.326 0.000 0.720 387 K HN 0.556 nan 8.250 nan 0.000 0.449 388 D N 1.447 121.973 120.400 0.210 0.000 2.351 388 D HA 0.007 4.646 4.640 -0.001 0.000 0.251 388 D C 0.055 176.367 176.300 0.019 0.000 1.137 388 D CA 0.060 54.101 54.000 0.067 0.000 0.879 388 D CB 1.051 41.877 40.800 0.043 0.000 1.181 388 D HN 0.246 nan 8.370 nan 0.000 0.448 389 R N 1.854 122.217 120.500 -0.228 0.000 2.784 389 R HA 0.112 4.452 4.340 -0.001 0.000 0.266 389 R C -0.395 175.892 176.300 -0.021 0.000 1.044 389 R CA 0.125 56.105 56.100 -0.200 0.000 1.151 389 R CB 0.571 30.659 30.300 -0.353 0.000 1.037 389 R HN 0.272 nan 8.270 nan 0.000 0.478 390 K N 3.169 123.591 120.400 0.036 0.000 2.443 390 K HA 0.322 4.642 4.320 -0.001 0.000 0.252 390 K C -2.443 174.168 176.600 0.018 0.000 0.933 390 K CA -2.104 54.194 56.287 0.019 0.000 0.792 390 K CB 2.276 34.785 32.500 0.016 0.000 1.185 390 K HN 0.537 nan 8.250 nan 0.000 0.425 391 P HA -0.126 nan 4.420 nan 0.000 0.247 391 P C -0.950 176.358 177.300 0.012 0.000 1.147 391 P CA 0.795 63.901 63.100 0.009 0.000 0.964 391 P CB -0.045 31.657 31.700 0.003 0.000 0.944 392 E N 2.305 122.518 120.200 0.022 0.000 2.389 392 E HA -0.233 4.117 4.350 -0.001 0.000 0.243 392 E C -0.305 176.301 176.600 0.009 0.000 1.154 392 E CA 0.531 56.943 56.400 0.021 0.000 0.723 392 E CB -1.655 28.055 29.700 0.017 0.000 1.261 392 E HN 0.671 nan 8.360 nan 0.000 0.390 393 Q N -2.025 117.776 119.800 0.001 0.000 1.888 393 Q HA 0.062 4.402 4.340 -0.001 0.000 0.197 393 Q C 0.778 176.743 176.000 -0.058 0.000 0.822 393 Q CA 0.183 55.968 55.803 -0.031 0.000 0.909 393 Q CB 0.547 29.268 28.738 -0.029 0.000 1.268 393 Q HN 0.156 nan 8.270 nan 0.000 0.388 394 V N -1.419 118.486 119.914 -0.014 0.000 2.867 394 V HA -0.116 4.004 4.120 -0.001 0.000 0.260 394 V C 1.062 176.976 176.094 -0.301 0.000 1.099 394 V CA 0.780 63.104 62.300 0.039 0.000 1.122 394 V CB -0.337 31.680 31.823 0.324 0.000 0.708 394 V HN 0.501 nan 8.190 nan 0.000 0.490 395 c N -0.740 117.586 118.600 -0.456 0.000 2.595 395 c HA 0.733 5.303 4.570 -0.001 0.000 0.338 395 c C 0.414 174.187 174.090 -0.528 0.000 1.219 395 c CA -0.113 55.714 56.329 -0.837 0.000 1.811 395 c CB 1.917 43.817 42.510 -1.016 0.000 2.313 395 c HN 0.452 nan 8.230 nan 0.000 0.499 396 T N 2.611 116.806 114.554 -0.598 0.000 3.187 396 T HA 0.334 4.684 4.350 -0.001 0.000 0.328 396 T C -0.811 173.693 174.700 -0.326 0.000 0.951 396 T CA -0.051 61.862 62.100 -0.311 0.000 1.049 396 T CB -0.035 68.705 68.868 -0.213 0.000 1.015 396 T HN 0.381 nan 8.240 nan 0.000 0.461 397 F N 2.551 122.388 119.950 -0.190 0.000 2.578 397 F HA 0.234 4.760 4.527 -0.001 0.000 0.376 397 F C 1.574 177.274 175.800 -0.167 0.000 1.085 397 F CA -0.160 57.731 58.000 -0.181 0.000 1.260 397 F CB 0.436 39.342 39.000 -0.157 0.000 1.095 397 F HN 0.544 nan 8.300 nan 0.000 0.573 398 I N 1.632 122.163 120.570 -0.065 0.000 3.956 398 I HA 0.081 4.250 4.170 -0.001 0.000 0.333 398 I C -0.017 175.979 176.117 -0.202 0.000 1.302 398 I CA 0.497 61.676 61.300 -0.202 0.000 1.122 398 I CB -0.057 37.730 38.000 -0.356 0.000 1.013 398 I HN 0.503 nan 8.210 nan 0.000 0.405 399 T N 1.103 115.532 114.554 -0.207 0.000 2.956 399 T HA 0.479 4.829 4.350 -0.001 0.000 0.312 399 T C -0.705 173.509 174.700 -0.811 0.000 1.151 399 T CA -0.701 61.121 62.100 -0.462 0.000 1.024 399 T CB 2.527 71.026 68.868 -0.616 0.000 1.140 399 T HN -0.030 nan 8.240 nan 0.000 0.473 400 K N 0.678 120.603 120.400 -0.792 0.000 2.480 400 K HA 0.880 5.199 4.320 -0.001 0.000 0.258 400 K C -0.418 175.854 176.600 -0.548 0.000 0.990 400 K CA -1.102 54.790 56.287 -0.659 0.000 0.857 400 K CB 2.549 34.890 32.500 -0.264 0.000 1.384 400 K HN 0.980 nan 8.250 nan 0.000 0.446 401 G N -0.416 108.191 108.800 -0.322 0.000 2.317 401 G HA2 0.287 4.247 3.960 -0.001 0.000 0.445 401 G HA3 0.287 4.247 3.960 -0.001 0.000 0.445 401 G C -1.457 173.075 174.900 -0.614 0.000 1.486 401 G CA -0.491 44.464 45.100 -0.241 0.000 0.991 401 G HN 0.584 nan 8.290 nan 0.000 0.660 402 A N 1.524 124.130 122.820 -0.357 0.000 3.168 402 A HA 0.664 4.984 4.320 -0.001 0.000 0.260 402 A C 0.250 177.842 177.584 0.013 0.000 1.598 402 A CA 0.478 52.095 52.037 -0.700 0.000 1.285 402 A CB -0.969 17.841 19.000 -0.317 0.000 1.149 402 A HN 1.773 nan 8.150 nan 0.000 0.630 403 W N -0.997 120.272 121.300 -0.051 0.000 2.937 403 W HA 0.658 5.317 4.660 -0.001 0.000 0.360 403 W C -1.140 175.474 176.519 0.159 0.000 1.215 403 W CA -0.813 56.605 57.345 0.122 0.000 1.183 403 W CB 0.305 29.801 29.460 0.060 0.000 1.458 403 W HN 0.228 nan 8.180 nan 0.000 0.574 404 E N 0.575 120.946 120.200 0.286 0.000 2.343 404 E HA 0.471 4.820 4.350 -0.001 0.000 0.270 404 E C -1.241 175.502 176.600 0.239 0.000 0.895 404 E CA -1.184 55.223 56.400 0.011 0.000 0.767 404 E CB 3.375 33.104 29.700 0.049 0.000 1.248 404 E HN 0.158 nan 8.360 nan 0.000 0.440 405 V N 3.901 123.876 119.914 0.102 0.000 2.432 405 V HA 0.018 4.138 4.120 -0.001 0.000 0.271 405 V C 1.195 177.409 176.094 0.200 0.000 1.046 405 V CA -0.101 62.320 62.300 0.201 0.000 0.945 405 V CB 0.635 32.468 31.823 0.016 0.000 0.992 405 V HN 0.688 nan 8.190 nan 0.000 0.471 406 I N 3.384 124.091 120.570 0.228 0.000 2.233 406 I HA 0.000 4.170 4.170 -0.001 0.000 0.243 406 I C 1.043 177.274 176.117 0.191 0.000 1.093 406 I CA 1.257 62.666 61.300 0.182 0.000 1.380 406 I CB -0.547 37.492 38.000 0.065 0.000 1.067 406 I HN 0.821 nan 8.210 nan 0.000 0.413 407 S N -0.471 115.345 115.700 0.193 0.000 2.552 407 S HA 0.523 4.992 4.470 -0.001 0.000 0.272 407 S C -0.819 173.881 174.600 0.166 0.000 1.150 407 S CA -0.850 57.456 58.200 0.178 0.000 0.849 407 S CB 1.498 64.797 63.200 0.166 0.000 1.113 407 S HN 0.051 nan 8.310 nan 0.000 0.458 408 I N 2.919 123.541 120.570 0.086 0.000 2.301 408 I HA 0.248 4.418 4.170 -0.001 0.000 0.292 408 I C 0.977 177.066 176.117 -0.048 0.000 1.046 408 I CA -0.440 60.826 61.300 -0.056 0.000 1.282 408 I CB 0.885 38.632 38.000 -0.420 0.000 1.409 408 I HN 0.734 nan 8.210 nan 0.000 0.484 409 E N 5.079 125.315 120.200 0.059 0.000 2.170 409 E HA 0.170 4.519 4.350 -0.001 0.000 0.191 409 E C 0.427 177.071 176.600 0.074 0.000 0.981 409 E CA 0.320 56.767 56.400 0.079 0.000 0.830 409 E CB 0.419 30.160 29.700 0.068 0.000 0.775 409 E HN 0.722 nan 8.360 nan 0.000 0.470 410 A N 0.298 123.170 122.820 0.087 0.000 2.590 410 A HA 0.514 4.833 4.320 -0.001 0.000 0.294 410 A C -2.011 175.674 177.584 0.168 0.000 1.046 410 A CA -0.724 51.385 52.037 0.120 0.000 0.684 410 A CB 1.014 20.033 19.000 0.032 0.000 1.279 410 A HN 0.040 nan 8.150 nan 0.000 0.415 411 L N 1.576 122.901 121.223 0.170 0.000 2.427 411 L HA 0.647 4.986 4.340 -0.001 0.000 0.264 411 L C 0.007 176.976 176.870 0.165 0.000 0.989 411 L CA 0.374 55.297 54.840 0.138 0.000 0.865 411 L CB 1.334 43.472 42.059 0.131 0.000 1.209 411 L HN 0.774 nan 8.230 nan 0.000 0.430 412 T N 1.019 115.686 114.554 0.187 0.000 2.770 412 T HA 0.194 4.544 4.350 -0.001 0.000 0.281 412 T C 1.364 176.117 174.700 0.089 0.000 0.981 412 T CA 0.275 62.468 62.100 0.155 0.000 0.955 412 T CB 1.210 70.205 68.868 0.212 0.000 1.060 412 T HN 0.716 nan 8.240 nan 0.000 0.531 413 S N 0.051 115.784 115.700 0.055 0.000 2.507 413 S HA -0.097 4.373 4.470 -0.001 0.000 0.235 413 S C 0.740 175.328 174.600 -0.020 0.000 0.988 413 S CA 1.349 59.571 58.200 0.037 0.000 0.944 413 S CB -0.416 62.800 63.200 0.027 0.000 0.762 413 S HN 0.848 nan 8.310 nan 0.000 0.526 414 D N -1.932 118.403 120.400 -0.109 0.000 2.486 414 D HA 0.214 4.854 4.640 -0.001 0.000 0.243 414 D C -0.139 175.999 176.300 -0.269 0.000 1.146 414 D CA -0.314 53.541 54.000 -0.242 0.000 0.821 414 D CB -0.101 40.437 40.800 -0.436 0.000 1.201 414 D HN 0.522 nan 8.370 nan 0.000 0.525 415 Y N -0.021 120.259 120.300 -0.033 0.000 2.536 415 Y HA 0.575 5.125 4.550 -0.001 0.000 0.347 415 Y C -1.223 174.591 175.900 -0.143 0.000 1.000 415 Y CA -1.761 56.255 58.100 -0.139 0.000 1.051 415 Y CB 2.564 40.873 38.460 -0.251 0.000 1.259 415 Y HN -0.165 nan 8.280 nan 0.000 0.468 416 L N 3.187 124.387 121.223 -0.039 0.000 2.377 416 L HA 0.474 4.814 4.340 -0.001 0.000 0.270 416 L C -1.926 174.907 176.870 -0.061 0.000 0.991 416 L CA -0.767 54.027 54.840 -0.077 0.000 0.851 416 L CB 0.217 42.130 42.059 -0.244 0.000 1.218 416 L HN 0.399 nan 8.230 nan 0.000 0.420 417 Y N 5.603 125.897 120.300 -0.012 0.000 2.327 417 Y HA 0.517 5.066 4.550 -0.001 0.000 0.336 417 Y C -0.141 175.774 175.900 0.026 0.000 1.035 417 Y CA 0.016 58.078 58.100 -0.062 0.000 1.165 417 Y CB 0.754 39.143 38.460 -0.118 0.000 1.181 417 Y HN 0.625 nan 8.280 nan 0.000 0.494 418 Y N 0.507 120.850 120.300 0.072 0.000 2.705 418 Y HA 0.866 5.415 4.550 -0.001 0.000 0.332 418 Y C -1.640 174.319 175.900 0.099 0.000 1.157 418 Y CA -2.145 55.992 58.100 0.061 0.000 1.091 418 Y CB 1.327 39.811 38.460 0.040 0.000 1.301 418 Y HN 0.365 nan 8.280 nan 0.000 0.488 419 I N 2.481 123.240 120.570 0.315 0.000 2.498 419 I HA 0.563 4.732 4.170 -0.001 0.000 0.290 419 I C -0.779 175.546 176.117 0.347 0.000 1.032 419 I CA -0.556 60.860 61.300 0.194 0.000 1.073 419 I CB 2.227 40.280 38.000 0.089 0.000 1.251 419 I HN 0.905 nan 8.210 nan 0.000 0.426 420 S N 3.420 119.302 115.700 0.303 0.000 2.697 420 S HA 0.485 4.954 4.470 -0.001 0.000 0.289 420 S C -0.572 174.132 174.600 0.173 0.000 1.149 420 S CA -0.801 57.589 58.200 0.316 0.000 0.850 420 S CB 1.882 65.367 63.200 0.475 0.000 1.151 420 S HN 0.657 nan 8.310 nan 0.000 0.491 421 N N -0.552 118.264 118.700 0.193 0.000 2.467 421 N HA 0.161 4.901 4.740 -0.001 0.000 0.278 421 N C 0.312 175.871 175.510 0.081 0.000 1.306 421 N CA -0.405 52.701 53.050 0.093 0.000 0.905 421 N CB 0.409 38.924 38.487 0.047 0.000 1.236 421 N HN 0.845 nan 8.380 nan 0.000 0.509 422 E N -0.101 120.044 120.200 -0.092 0.000 2.051 422 E HA -0.139 4.210 4.350 -0.001 0.000 0.189 422 E C -0.271 176.200 176.600 -0.214 0.000 0.979 422 E CA 0.038 56.126 56.400 -0.521 0.000 0.803 422 E CB -0.052 28.676 29.700 -1.620 0.000 0.761 422 E HN 0.305 nan 8.360 nan 0.000 0.451 423 Y N 2.193 122.398 120.300 -0.159 0.000 2.904 423 Y HA -0.168 4.382 4.550 -0.000 0.000 0.336 423 Y C 0.470 176.341 175.900 -0.048 0.000 1.263 423 Y CA 0.778 58.839 58.100 -0.064 0.000 1.547 423 Y CB 0.204 38.666 38.460 0.004 0.000 1.272 423 Y HN 0.128 nan 8.280 nan 0.000 0.596 424 K N 3.202 123.326 120.400 -0.460 0.000 2.971 424 K HA -0.354 3.965 4.320 -0.001 0.000 0.265 424 K C 0.151 176.681 176.600 -0.115 0.000 1.052 424 K CA 1.272 57.320 56.287 -0.400 0.000 0.780 424 K CB -0.917 31.227 32.500 -0.593 0.000 1.214 424 K HN 0.922 nan 8.250 nan 0.000 0.478 425 E N -1.811 118.350 120.200 -0.065 0.000 2.660 425 E HA -0.256 4.094 4.350 -0.001 0.000 0.260 425 E C -0.494 176.112 176.600 0.010 0.000 1.122 425 E CA 1.092 57.503 56.400 0.017 0.000 0.755 425 E CB -1.014 28.730 29.700 0.072 0.000 1.345 425 E HN 0.464 nan 8.360 nan 0.000 0.421 426 M N 1.076 120.598 119.600 -0.130 0.000 2.111 426 M HA 0.131 4.611 4.480 -0.001 0.000 0.351 426 M C -1.406 174.654 176.300 -0.399 0.000 1.214 426 M CA -1.880 53.162 55.300 -0.429 0.000 1.120 426 M CB 0.776 33.176 32.600 -0.334 0.000 1.443 426 M HN -0.159 nan 8.290 nan 0.000 0.429 427 P HA -0.076 nan 4.420 nan 0.000 0.222 427 P C 1.013 178.176 177.300 -0.229 0.000 1.147 427 P CA 1.169 64.114 63.100 -0.257 0.000 0.790 427 P CB 0.136 31.708 31.700 -0.213 0.000 0.780 428 G N -0.513 108.060 108.800 -0.378 0.000 3.088 428 G HA2 0.252 4.211 3.960 -0.001 0.000 0.212 428 G HA3 0.252 4.211 3.960 -0.001 0.000 0.212 428 G C 0.724 175.650 174.900 0.042 0.000 1.173 428 G CA 0.140 45.159 45.100 -0.135 0.000 0.779 428 G HN 0.438 nan 8.290 nan 0.000 0.540 429 G N -0.338 108.436 108.800 -0.044 0.000 2.471 429 G HA2 0.627 4.587 3.960 -0.001 0.000 0.332 429 G HA3 0.627 4.587 3.960 -0.001 0.000 0.332 429 G C -0.925 173.911 174.900 -0.107 0.000 1.176 429 G CA -0.765 44.358 45.100 0.038 0.000 0.949 429 G HN 0.040 nan 8.290 nan 0.000 0.488 430 R N 1.127 121.509 120.500 -0.196 0.000 2.502 430 R HA 0.413 4.753 4.340 -0.001 0.000 0.298 430 R C -1.097 175.194 176.300 -0.015 0.000 1.018 430 R CA -0.799 55.139 56.100 -0.271 0.000 0.899 430 R CB 1.577 31.419 30.300 -0.763 0.000 1.181 430 R HN 0.586 nan 8.270 nan 0.000 0.444 431 N N 1.790 120.521 118.700 0.053 0.000 2.262 431 N HA 0.336 5.075 4.740 -0.001 0.000 0.295 431 N C -1.063 174.392 175.510 -0.093 0.000 1.161 431 N CA -0.857 52.189 53.050 -0.006 0.000 0.767 431 N CB 2.765 41.207 38.487 -0.076 0.000 1.499 431 N HN 0.233 nan 8.380 nan 0.000 0.476 432 L N 2.259 123.270 121.223 -0.352 0.000 2.290 432 L HA 0.432 4.771 4.340 -0.001 0.000 0.284 432 L C -1.219 175.271 176.870 -0.633 0.000 1.078 432 L CA 0.104 54.707 54.840 -0.394 0.000 0.815 432 L CB -0.239 41.541 42.059 -0.465 0.000 1.162 432 L HN 0.414 nan 8.230 nan 0.000 0.435 433 Y N 3.917 123.809 120.300 -0.680 0.000 2.699 433 Y HA 0.685 5.235 4.550 -0.001 0.000 0.326 433 Y C -0.227 175.252 175.900 -0.702 0.000 1.141 433 Y CA -0.773 56.840 58.100 -0.813 0.000 1.246 433 Y CB 1.262 38.934 38.460 -1.314 0.000 1.426 433 Y HN 0.565 nan 8.280 nan 0.000 0.559 434 K N 1.438 121.587 120.400 -0.418 0.000 2.587 434 K HA 0.494 4.814 4.320 -0.001 0.000 0.256 434 K C -2.322 174.102 176.600 -0.293 0.000 0.974 434 K CA -0.181 55.801 56.287 -0.508 0.000 0.855 434 K CB 1.017 33.057 32.500 -0.766 0.000 1.292 434 K HN 0.665 nan 8.250 nan 0.000 0.444 435 I N 3.034 123.503 120.570 -0.167 0.000 2.530 435 I HA 0.260 4.430 4.170 -0.001 0.000 0.297 435 I C -0.314 175.843 176.117 0.066 0.000 1.011 435 I CA -1.027 60.260 61.300 -0.021 0.000 1.107 435 I CB 2.148 40.173 38.000 0.042 0.000 1.285 435 I HN 0.625 nan 8.210 nan 0.000 0.436 436 Q N 4.649 124.562 119.800 0.187 0.000 2.279 436 Q HA 0.319 4.659 4.340 -0.001 0.000 0.256 436 Q C 0.457 176.597 176.000 0.233 0.000 0.937 436 Q CA -0.450 55.559 55.803 0.342 0.000 0.933 436 Q CB 1.445 30.378 28.738 0.325 0.000 1.189 436 Q HN 0.676 nan 8.270 nan 0.000 0.417 437 L N 2.417 123.738 121.223 0.164 0.000 1.989 437 L HA -0.217 4.123 4.340 -0.001 0.000 0.211 437 L C 2.443 179.425 176.870 0.188 0.000 1.071 437 L CA 1.919 56.884 54.840 0.207 0.000 0.749 437 L CB -0.967 41.168 42.059 0.126 0.000 0.890 437 L HN 0.789 nan 8.230 nan 0.000 0.431 438 T N -3.993 110.602 114.554 0.069 0.000 2.929 438 T HA -0.147 4.203 4.350 -0.001 0.000 0.271 438 T C 0.706 175.378 174.700 -0.047 0.000 1.085 438 T CA 0.845 62.942 62.100 -0.004 0.000 1.125 438 T CB -0.125 68.735 68.868 -0.014 0.000 0.874 438 T HN 0.182 nan 8.240 nan 0.000 0.494 439 D N 0.297 120.711 120.400 0.022 0.000 2.358 439 D HA 0.187 4.826 4.640 -0.001 0.000 0.253 439 D C -0.167 176.218 176.300 0.142 0.000 1.288 439 D CA -0.540 53.469 54.000 0.016 0.000 0.950 439 D CB 0.783 41.605 40.800 0.036 0.000 1.197 439 D HN 0.120 nan 8.370 nan 0.000 0.550 440 H N 1.399 120.487 119.070 0.030 0.000 2.567 440 H HA 0.040 4.596 4.556 -0.001 0.000 0.276 440 H C 1.433 176.777 175.328 0.027 0.000 1.016 440 H CA 0.642 56.708 56.048 0.031 0.000 1.186 440 H CB 0.102 29.878 29.762 0.023 0.000 1.351 440 H HN 0.284 nan 8.280 nan 0.000 0.605 441 T N -0.749 113.882 114.554 0.129 0.000 3.035 441 T HA -0.052 4.298 4.350 -0.001 0.000 0.259 441 T C 1.614 176.352 174.700 0.062 0.000 1.078 441 T CA 0.830 62.976 62.100 0.077 0.000 1.132 441 T CB -0.401 68.493 68.868 0.044 0.000 0.900 441 T HN 0.670 nan 8.240 nan 0.000 0.480 442 N N 2.488 121.229 118.700 0.069 0.000 2.892 442 N HA 0.190 4.930 4.740 -0.001 0.000 0.300 442 N C -0.030 175.495 175.510 0.026 0.000 1.211 442 N CA 0.000 53.078 53.050 0.047 0.000 1.158 442 N CB -0.700 37.829 38.487 0.071 0.000 1.455 442 N HN 0.431 nan 8.380 nan 0.000 0.524 443 K N 0.761 121.174 120.400 0.021 0.000 2.367 443 K HA 0.349 4.668 4.320 -0.001 0.000 0.263 443 K C -0.852 175.737 176.600 -0.018 0.000 1.000 443 K CA -0.647 55.655 56.287 0.024 0.000 0.891 443 K CB 0.664 33.220 32.500 0.093 0.000 1.117 443 K HN 0.364 nan 8.250 nan 0.000 0.443 444 K N 4.422 124.757 120.400 -0.109 0.000 2.345 444 K HA 0.268 4.587 4.320 -0.001 0.000 0.255 444 K C -1.293 175.099 176.600 -0.347 0.000 0.934 444 K CA -0.845 55.329 56.287 -0.189 0.000 0.801 444 K CB 1.648 34.017 32.500 -0.218 0.000 1.137 444 K HN 0.765 nan 8.250 nan 0.000 0.424 445 C N 5.950 124.956 119.300 -0.490 0.000 2.527 445 C HA 0.334 4.794 4.460 -0.001 0.000 0.396 445 C C 1.232 175.814 174.990 -0.680 0.000 1.289 445 C CA -0.548 57.887 59.018 -0.972 0.000 2.047 445 C CB -0.863 26.220 27.740 -1.095 0.000 2.568 445 C HN 0.926 nan 8.230 nan 0.000 0.573 446 L N 4.842 125.638 121.223 -0.711 0.000 2.664 446 L HA 0.149 4.488 4.340 -0.001 0.000 0.233 446 L C 1.780 178.306 176.870 -0.572 0.000 1.113 446 L CA 0.489 55.006 54.840 -0.538 0.000 0.896 446 L CB -0.290 41.462 42.059 -0.512 0.000 1.163 446 L HN 0.911 nan 8.230 nan 0.000 0.497 447 S N -3.181 112.098 115.700 -0.702 0.000 2.649 447 S HA 0.004 4.473 4.470 -0.001 0.000 0.246 447 S C 1.721 176.017 174.600 -0.506 0.000 1.057 447 S CA -0.185 57.541 58.200 -0.789 0.000 1.051 447 S CB -0.208 62.094 63.200 -1.497 0.000 1.018 447 S HN 0.268 nan 8.310 nan 0.000 0.569 448 C N 3.045 122.006 119.300 -0.566 0.000 2.398 448 C HA -0.119 4.341 4.460 -0.001 0.000 0.276 448 C C 2.431 177.238 174.990 -0.304 0.000 1.222 448 C CA 1.464 60.107 59.018 -0.624 0.000 1.746 448 C CB -0.996 26.078 27.740 -1.111 0.000 2.039 448 C HN 0.611 nan 8.230 nan 0.000 0.470 449 D N 0.724 120.971 120.400 -0.254 0.000 2.084 449 D HA -0.058 4.582 4.640 -0.001 0.000 0.199 449 D C 2.103 178.381 176.300 -0.037 0.000 0.981 449 D CA 0.758 54.691 54.000 -0.112 0.000 0.841 449 D CB -0.870 39.862 40.800 -0.113 0.000 0.997 449 D HN 0.403 nan 8.370 nan 0.000 0.454 450 L N -0.383 120.810 121.223 -0.050 0.000 2.403 450 L HA -0.327 4.013 4.340 -0.001 0.000 0.237 450 L C 0.362 177.276 176.870 0.074 0.000 1.138 450 L CA 2.023 56.879 54.840 0.026 0.000 0.841 450 L CB -0.761 41.319 42.059 0.036 0.000 0.979 450 L HN 0.098 nan 8.230 nan 0.000 0.435 451 N N -2.146 116.621 118.700 0.113 0.000 2.679 451 N HA 0.118 4.857 4.740 -0.001 0.000 0.240 451 N C -1.927 173.636 175.510 0.088 0.000 1.537 451 N CA -0.547 52.553 53.050 0.084 0.000 0.793 451 N CB 0.891 39.420 38.487 0.070 0.000 1.391 451 N HN 0.059 nan 8.380 nan 0.000 0.524 452 P HA -0.257 nan 4.420 nan 0.000 0.218 452 P C 0.365 177.711 177.300 0.077 0.000 1.147 452 P CA 1.630 64.804 63.100 0.123 0.000 0.827 452 P CB 0.518 32.295 31.700 0.127 0.000 0.778 453 E N 0.296 120.522 120.200 0.044 0.000 2.021 453 E HA -0.082 4.267 4.350 -0.001 0.000 0.189 453 E C 2.444 179.042 176.600 -0.003 0.000 0.980 453 E CA 0.724 57.135 56.400 0.019 0.000 0.803 453 E CB -1.107 28.597 29.700 0.007 0.000 0.766 453 E HN 0.111 nan 8.360 nan 0.000 0.449 454 R N -0.082 120.407 120.500 -0.019 0.000 2.093 454 R HA 0.106 4.446 4.340 -0.001 0.000 0.224 454 R C -0.194 176.054 176.300 -0.086 0.000 1.101 454 R CA 0.925 56.989 56.100 -0.060 0.000 0.979 454 R CB 0.054 30.311 30.300 -0.071 0.000 0.877 454 R HN 0.255 nan 8.270 nan 0.000 0.441 455 c N 0.664 119.217 118.600 -0.079 0.000 2.319 455 c HA 0.438 5.008 4.570 -0.001 0.000 0.323 455 c C 0.383 174.411 174.090 -0.103 0.000 1.277 455 c CA -0.715 55.489 56.329 -0.209 0.000 1.517 455 c CB 1.438 43.711 42.510 -0.396 0.000 2.206 455 c HN 0.492 nan 8.230 nan 0.000 0.486 456 Q N 0.148 119.887 119.800 -0.103 0.000 2.081 456 Q HA 0.153 4.493 4.340 -0.001 0.000 0.220 456 Q C -1.035 175.019 176.000 0.091 0.000 0.775 456 Q CA 0.109 55.950 55.803 0.063 0.000 0.983 456 Q CB 1.245 30.035 28.738 0.087 0.000 1.188 456 Q HN 0.825 nan 8.270 nan 0.000 0.458 457 Y N 0.554 120.733 120.300 -0.202 0.000 2.488 457 Y HA 0.356 4.905 4.550 -0.001 0.000 0.330 457 Y C -1.422 174.344 175.900 -0.223 0.000 1.013 457 Y CA -0.898 57.124 58.100 -0.128 0.000 1.304 457 Y CB 0.624 39.026 38.460 -0.097 0.000 1.098 457 Y HN -0.066 nan 8.280 nan 0.000 0.498 458 Y N 2.000 122.236 120.300 -0.107 0.000 2.419 458 Y HA 0.562 5.112 4.550 -0.001 0.000 0.328 458 Y C 0.404 176.251 175.900 -0.089 0.000 1.162 458 Y CA -0.466 57.588 58.100 -0.075 0.000 1.174 458 Y CB 1.956 40.353 38.460 -0.106 0.000 1.228 458 Y HN 0.480 nan 8.280 nan 0.000 0.473 459 S N 1.511 117.316 115.700 0.175 0.000 2.566 459 S HA 0.832 5.302 4.470 -0.001 0.000 0.298 459 S C -1.401 173.292 174.600 0.154 0.000 1.083 459 S CA -0.622 57.661 58.200 0.139 0.000 0.978 459 S CB 1.735 65.042 63.200 0.178 0.000 1.073 459 S HN 0.616 nan 8.310 nan 0.000 0.491 460 V N 1.000 120.986 119.914 0.120 0.000 3.164 460 V HA 0.955 5.075 4.120 -0.001 0.000 0.313 460 V C -0.962 175.232 176.094 0.167 0.000 1.188 460 V CA -0.168 62.198 62.300 0.110 0.000 1.058 460 V CB 2.251 34.067 31.823 -0.012 0.000 1.110 460 V HN 1.314 nan 8.190 nan 0.000 0.453 461 S N 2.243 118.071 115.700 0.213 0.000 2.317 461 S HA 0.438 4.907 4.470 -0.001 0.000 0.208 461 S C -1.542 173.317 174.600 0.431 0.000 0.849 461 S CA -0.520 57.872 58.200 0.319 0.000 1.042 461 S CB 0.137 63.546 63.200 0.349 0.000 1.316 461 S HN 0.605 nan 8.310 nan 0.000 0.386 462 L N 3.768 125.088 121.223 0.162 0.000 2.399 462 L HA 0.596 4.936 4.340 -0.001 0.000 0.266 462 L C 1.220 177.768 176.870 -0.535 0.000 1.114 462 L CA -0.120 54.664 54.840 -0.093 0.000 0.804 462 L CB 1.242 43.151 42.059 -0.250 0.000 1.146 462 L HN 0.743 nan 8.230 nan 0.000 0.451 463 S N 1.127 116.150 115.700 -1.128 0.000 2.598 463 S HA 0.106 4.576 4.470 -0.001 0.000 0.256 463 S C 1.178 175.477 174.600 -0.501 0.000 1.350 463 S CA -0.493 56.791 58.200 -1.527 0.000 0.984 463 S CB 0.407 62.804 63.200 -1.339 0.000 0.930 463 S HN 0.507 nan 8.310 nan 0.000 0.577 464 K N 0.812 121.072 120.400 -0.234 0.000 2.189 464 K HA -0.151 4.169 4.320 -0.001 0.000 0.207 464 K C 0.755 177.336 176.600 -0.032 0.000 1.046 464 K CA 1.904 58.170 56.287 -0.036 0.000 0.928 464 K CB -0.446 32.080 32.500 0.044 0.000 0.720 464 K HN 0.812 nan 8.250 nan 0.000 0.458 465 E N -1.498 118.657 120.200 -0.075 0.000 3.191 465 E HA 0.289 4.639 4.350 -0.001 0.000 0.192 465 E C -0.515 176.048 176.600 -0.062 0.000 0.972 465 E CA 0.215 56.597 56.400 -0.029 0.000 1.266 465 E CB 0.764 30.469 29.700 0.008 0.000 1.076 465 E HN 0.205 nan 8.360 nan 0.000 0.462 466 A N 1.314 124.041 122.820 -0.155 0.000 2.798 466 A HA -0.345 3.975 4.320 -0.001 0.000 0.282 466 A C 1.486 178.978 177.584 -0.154 0.000 1.464 466 A CA 1.761 53.667 52.037 -0.219 0.000 0.844 466 A CB -1.713 17.151 19.000 -0.226 0.000 1.006 466 A HN 0.365 nan 8.150 nan 0.000 0.577 467 K N -1.803 118.497 120.400 -0.167 0.000 2.103 467 K HA 0.026 4.345 4.320 -0.001 0.000 0.204 467 K C 0.329 176.633 176.600 -0.493 0.000 1.052 467 K CA 1.552 57.685 56.287 -0.257 0.000 0.945 467 K CB -0.030 32.353 32.500 -0.195 0.000 0.722 467 K HN 0.673 nan 8.250 nan 0.000 0.443 468 Y N -1.369 118.796 120.300 -0.224 0.000 2.662 468 Y HA 0.349 4.898 4.550 -0.001 0.000 0.335 468 Y C -0.780 175.049 175.900 -0.118 0.000 1.066 468 Y CA -1.257 56.734 58.100 -0.181 0.000 1.116 468 Y CB 1.542 39.934 38.460 -0.113 0.000 1.308 468 Y HN 0.005 nan 8.280 nan 0.000 0.502 469 Y N -1.223 119.200 120.300 0.205 0.000 2.592 469 Y HA 0.517 5.067 4.550 -0.000 0.000 0.334 469 Y C -1.600 174.508 175.900 0.348 0.000 1.136 469 Y CA -1.528 56.680 58.100 0.179 0.000 1.042 469 Y CB 1.454 39.893 38.460 -0.035 0.000 1.325 469 Y HN 0.571 nan 8.280 nan 0.000 0.457 470 Q N 3.690 123.857 119.800 0.613 0.000 2.337 470 Q HA 0.577 4.916 4.340 -0.001 0.000 0.266 470 Q C -1.965 174.287 176.000 0.420 0.000 1.023 470 Q CA -0.770 55.307 55.803 0.457 0.000 0.829 470 Q CB 2.023 30.937 28.738 0.293 0.000 1.306 470 Q HN 0.997 nan 8.270 nan 0.000 0.449 471 L N 2.090 123.554 121.223 0.403 0.000 2.322 471 L HA 0.617 4.956 4.340 -0.001 0.000 0.279 471 L C 0.380 177.411 176.870 0.269 0.000 1.036 471 L CA -0.842 54.187 54.840 0.316 0.000 0.807 471 L CB 1.900 44.124 42.059 0.276 0.000 1.226 471 L HN 0.815 nan 8.230 nan 0.000 0.433 472 G N 1.408 110.342 108.800 0.224 0.000 2.671 472 G HA2 0.283 4.243 3.960 -0.001 0.000 0.318 472 G HA3 0.283 4.243 3.960 -0.001 0.000 0.318 472 G C -0.576 174.234 174.900 -0.149 0.000 1.250 472 G CA -0.289 44.787 45.100 -0.039 0.000 1.028 472 G HN 0.694 nan 8.290 nan 0.000 0.501 473 c N 5.118 123.481 118.600 -0.395 0.000 2.416 473 c HA 0.488 5.057 4.570 -0.001 0.000 0.355 473 c C 1.245 175.123 174.090 -0.353 0.000 1.211 473 c CA -0.783 55.244 56.329 -0.504 0.000 1.699 473 c CB -0.348 41.908 42.510 -0.425 0.000 2.310 473 c HN 0.724 nan 8.230 nan 0.000 0.539 474 R N 3.886 124.278 120.500 -0.179 0.000 2.334 474 R HA 0.208 4.547 4.340 -0.001 0.000 0.212 474 R C 1.509 177.800 176.300 -0.015 0.000 0.897 474 R CA 0.473 56.569 56.100 -0.008 0.000 1.056 474 R CB -0.961 29.433 30.300 0.157 0.000 1.046 474 R HN 0.917 nan 8.270 nan 0.000 0.513 475 G N 2.714 111.452 108.800 -0.103 0.000 3.255 475 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.249 475 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.249 475 G C -1.484 173.398 174.900 -0.030 0.000 1.269 475 G CA -0.565 44.483 45.100 -0.085 0.000 0.904 475 G HN 0.018 nan 8.290 nan 0.000 0.627 476 P HA -0.140 nan 4.420 nan 0.000 0.218 476 P C 1.518 178.812 177.300 -0.010 0.000 1.165 476 P CA 1.952 65.058 63.100 0.010 0.000 0.922 476 P CB -0.230 31.469 31.700 -0.003 0.000 0.794 477 G N -1.221 107.516 108.800 -0.104 0.000 2.553 477 G HA2 0.313 4.273 3.960 -0.001 0.000 0.278 477 G HA3 0.313 4.273 3.960 -0.001 0.000 0.278 477 G C -0.472 174.167 174.900 -0.435 0.000 1.349 477 G CA -0.652 44.306 45.100 -0.236 0.000 1.037 477 G HN 0.068 nan 8.290 nan 0.000 0.508 478 L N 2.074 122.940 121.223 -0.595 0.000 2.525 478 L HA 0.123 4.463 4.340 -0.001 0.000 0.278 478 L C -1.472 175.226 176.870 -0.288 0.000 1.218 478 L CA -1.139 53.299 54.840 -0.671 0.000 0.878 478 L CB 0.269 42.055 42.059 -0.454 0.000 1.127 478 L HN 0.344 nan 8.230 nan 0.000 0.492 479 P HA -0.036 nan 4.420 nan 0.000 0.263 479 P C -0.861 176.359 177.300 -0.135 0.000 1.175 479 P CA -0.034 63.012 63.100 -0.090 0.000 0.761 479 P CB 0.973 32.740 31.700 0.112 0.000 0.794 480 L N 5.319 126.353 121.223 -0.315 0.000 2.406 480 L HA 0.466 4.806 4.340 -0.001 0.000 0.272 480 L C -1.496 175.150 176.870 -0.374 0.000 0.980 480 L CA -0.900 53.812 54.840 -0.213 0.000 0.831 480 L CB 1.197 43.186 42.059 -0.118 0.000 1.253 480 L HN 0.179 nan 8.230 nan 0.000 0.406 481 Y N 2.914 123.222 120.300 0.013 0.000 2.335 481 Y HA 0.745 5.295 4.550 -0.001 0.000 0.338 481 Y C 0.447 176.305 175.900 -0.070 0.000 0.977 481 Y CA -0.479 57.624 58.100 0.005 0.000 1.114 481 Y CB 2.040 40.495 38.460 -0.009 0.000 1.182 481 Y HN 0.674 nan 8.280 nan 0.000 0.463 482 T N 1.995 116.613 114.554 0.107 0.000 2.903 482 T HA 0.774 5.123 4.350 -0.001 0.000 0.299 482 T C -1.121 173.604 174.700 0.042 0.000 1.093 482 T CA -0.999 61.096 62.100 -0.008 0.000 1.002 482 T CB 1.614 70.476 68.868 -0.011 0.000 1.127 482 T HN 0.700 nan 8.240 nan 0.000 0.488 483 L N 0.483 121.621 121.223 -0.142 0.000 2.362 483 L HA 0.944 5.284 4.340 -0.001 0.000 0.271 483 L C -1.587 175.122 176.870 -0.267 0.000 1.002 483 L CA -0.993 53.853 54.840 0.009 0.000 0.818 483 L CB 1.774 43.872 42.059 0.065 0.000 1.298 483 L HN 0.852 nan 8.230 nan 0.000 0.420 484 H N 0.727 119.627 119.070 -0.284 0.000 2.865 484 H HA 0.573 5.128 4.556 -0.001 0.000 0.372 484 H C -0.942 174.131 175.328 -0.424 0.000 1.173 484 H CA -0.911 54.879 56.048 -0.430 0.000 1.147 484 H CB 1.336 30.669 29.762 -0.717 0.000 1.805 484 H HN 0.700 nan 8.280 nan 0.000 0.553 485 R N 0.182 120.595 120.500 -0.145 0.000 2.234 485 R HA 0.376 4.716 4.340 -0.001 0.000 0.324 485 R C 0.558 176.699 176.300 -0.264 0.000 1.054 485 R CA -0.294 55.658 56.100 -0.247 0.000 0.912 485 R CB 1.136 31.323 30.300 -0.189 0.000 1.030 485 R HN 0.542 nan 8.270 nan 0.000 0.455 486 S N 2.563 118.107 115.700 -0.259 0.000 2.387 486 S HA -0.197 4.273 4.470 -0.001 0.000 0.230 486 S C 1.104 175.741 174.600 0.061 0.000 1.035 486 S CA 2.191 60.411 58.200 0.033 0.000 1.014 486 S CB -0.297 62.950 63.200 0.079 0.000 0.836 486 S HN 0.856 nan 8.310 nan 0.000 0.466 487 T N 1.795 116.331 114.554 -0.030 0.000 2.544 487 T HA -0.203 4.146 4.350 -0.001 0.000 0.264 487 T C 1.364 176.076 174.700 0.019 0.000 1.096 487 T CA 1.921 64.026 62.100 0.009 0.000 1.181 487 T CB -0.711 68.138 68.868 -0.031 0.000 0.864 487 T HN 0.814 nan 8.240 nan 0.000 0.415 488 D N -0.140 120.256 120.400 -0.006 0.000 2.407 488 D HA 0.200 4.840 4.640 -0.001 0.000 0.208 488 D C 0.728 177.030 176.300 0.003 0.000 1.083 488 D CA -0.031 53.968 54.000 -0.003 0.000 0.844 488 D CB -0.187 40.609 40.800 -0.008 0.000 0.967 488 D HN 0.350 nan 8.370 nan 0.000 0.506 489 Q N -0.902 118.904 119.800 0.011 0.000 2.429 489 Q HA -0.210 4.129 4.340 -0.001 0.000 0.232 489 Q C -0.227 175.813 176.000 0.068 0.000 0.724 489 Q CA 1.004 56.831 55.803 0.040 0.000 1.287 489 Q CB -1.913 26.854 28.738 0.047 0.000 1.429 489 Q HN 0.467 nan 8.270 nan 0.000 0.721 490 K N 1.870 122.281 120.400 0.019 0.000 2.466 490 K HA -0.044 4.276 4.320 -0.001 0.000 0.278 490 K C -0.139 176.455 176.600 -0.010 0.000 1.048 490 K CA 0.360 56.655 56.287 0.012 0.000 1.088 490 K CB 0.339 32.832 32.500 -0.012 0.000 0.884 490 K HN 0.233 nan 8.250 nan 0.000 0.478 491 E N 6.310 126.489 120.200 -0.035 0.000 1.881 491 E HA -0.038 4.311 4.350 -0.001 0.000 0.264 491 E C 0.848 177.313 176.600 -0.226 0.000 1.243 491 E CA -0.220 55.991 56.400 -0.316 0.000 0.965 491 E CB 0.146 29.686 29.700 -0.266 0.000 1.055 491 E HN 0.662 nan 8.360 nan 0.000 0.412 492 L N 4.156 125.261 121.223 -0.197 0.000 2.043 492 L HA -0.170 4.169 4.340 -0.001 0.000 0.212 492 L C 1.320 178.126 176.870 -0.107 0.000 1.075 492 L CA 1.425 56.205 54.840 -0.100 0.000 0.752 492 L CB -0.892 41.144 42.059 -0.039 0.000 0.891 492 L HN 0.603 nan 8.230 nan 0.000 0.432 493 R N -2.523 117.879 120.500 -0.163 0.000 2.780 493 R HA 0.453 4.793 4.340 -0.001 0.000 0.280 493 R C -1.688 174.507 176.300 -0.175 0.000 1.016 493 R CA -0.965 55.055 56.100 -0.135 0.000 0.854 493 R CB 1.417 31.665 30.300 -0.086 0.000 1.293 493 R HN -0.277 nan 8.270 nan 0.000 0.483 494 V N 2.565 122.394 119.914 -0.141 0.000 2.350 494 V HA 0.225 4.344 4.120 -0.001 0.000 0.276 494 V C 1.148 177.118 176.094 -0.207 0.000 1.028 494 V CA -0.488 61.727 62.300 -0.142 0.000 0.860 494 V CB 1.219 32.991 31.823 -0.085 0.000 0.990 494 V HN 0.627 nan 8.190 nan 0.000 0.453 495 L N 3.051 124.080 121.223 -0.324 0.000 2.209 495 L HA 0.254 4.593 4.340 -0.001 0.000 0.207 495 L C 0.683 177.276 176.870 -0.462 0.000 1.094 495 L CA 0.756 55.185 54.840 -0.684 0.000 0.790 495 L CB 0.178 41.481 42.059 -1.260 0.000 0.932 495 L HN 0.677 nan 8.230 nan 0.000 0.447 496 E N 0.601 120.714 120.200 -0.146 0.000 2.506 496 E HA 0.154 4.504 4.350 -0.001 0.000 0.308 496 E C -2.022 174.650 176.600 0.121 0.000 0.931 496 E CA -0.645 55.776 56.400 0.035 0.000 0.800 496 E CB 0.968 30.741 29.700 0.121 0.000 1.292 496 E HN 0.147 nan 8.360 nan 0.000 0.401 497 D N 2.734 123.175 120.400 0.068 0.000 2.629 497 D HA 0.262 4.901 4.640 -0.001 0.000 0.250 497 D C -0.602 175.729 176.300 0.050 0.000 1.126 497 D CA -0.780 53.245 54.000 0.043 0.000 0.852 497 D CB 1.089 41.893 40.800 0.006 0.000 1.335 497 D HN 0.365 nan 8.370 nan 0.000 0.518 498 N N 0.674 119.400 118.700 0.043 0.000 3.210 498 N HA -0.009 4.731 4.740 -0.001 0.000 0.314 498 N C 1.370 176.894 175.510 0.023 0.000 1.291 498 N CA -0.013 53.066 53.050 0.048 0.000 1.202 498 N CB 0.232 38.749 38.487 0.050 0.000 1.475 498 N HN 0.426 nan 8.380 nan 0.000 0.554 499 S N -0.458 115.257 115.700 0.025 0.000 2.368 499 S HA -0.235 4.235 4.470 -0.001 0.000 0.225 499 S C 2.163 176.785 174.600 0.037 0.000 1.030 499 S CA 0.811 59.023 58.200 0.019 0.000 0.999 499 S CB -0.375 62.837 63.200 0.019 0.000 0.844 499 S HN 0.442 nan 8.310 nan 0.000 0.459 500 A N 2.433 125.286 122.820 0.054 0.000 1.859 500 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 500 A C 2.298 179.938 177.584 0.095 0.000 1.198 500 A CA 1.882 53.962 52.037 0.071 0.000 0.629 500 A CB -1.124 17.922 19.000 0.077 0.000 0.830 500 A HN 0.561 nan 8.150 nan 0.000 0.446 501 L N 0.267 121.553 121.223 0.104 0.000 2.046 501 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 501 L C 2.037 178.959 176.870 0.087 0.000 1.077 501 L CA 2.821 57.745 54.840 0.139 0.000 0.747 501 L CB -0.777 41.363 42.059 0.135 0.000 0.896 501 L HN 0.529 nan 8.230 nan 0.000 0.432 502 D N -0.106 120.311 120.400 0.028 0.000 2.116 502 D HA -0.288 4.352 4.640 -0.001 0.000 0.193 502 D C 2.143 178.452 176.300 0.015 0.000 0.998 502 D CA 2.288 56.281 54.000 -0.011 0.000 0.836 502 D CB 0.279 41.062 40.800 -0.029 0.000 0.951 502 D HN 0.472 nan 8.370 nan 0.000 0.449 503 K N 0.676 121.100 120.400 0.041 0.000 2.063 503 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 503 K C 2.328 178.976 176.600 0.081 0.000 1.048 503 K CA 1.882 58.201 56.287 0.052 0.000 0.928 503 K CB -0.952 31.582 32.500 0.057 0.000 0.713 503 K HN 0.344 nan 8.250 nan 0.000 0.442 504 M N 0.075 119.754 119.600 0.133 0.000 2.156 504 M HA 0.108 4.588 4.480 -0.001 0.000 0.264 504 M C 2.252 178.630 176.300 0.130 0.000 1.067 504 M CA 1.153 56.593 55.300 0.233 0.000 1.131 504 M CB -0.225 32.644 32.600 0.447 0.000 1.368 504 M HN 0.150 nan 8.290 nan 0.000 0.416 505 L N 0.520 121.737 121.223 -0.010 0.000 2.633 505 L HA -0.145 4.195 4.340 -0.001 0.000 0.235 505 L C 2.416 179.234 176.870 -0.087 0.000 1.163 505 L CA 0.250 54.986 54.840 -0.173 0.000 0.859 505 L CB -0.658 41.291 42.059 -0.184 0.000 0.973 505 L HN 0.408 nan 8.230 nan 0.000 0.451 506 Q N 0.134 119.925 119.800 -0.016 0.000 2.083 506 Q HA -0.122 4.218 4.340 -0.001 0.000 0.198 506 Q C 1.060 177.070 176.000 0.016 0.000 0.969 506 Q CA 1.180 56.983 55.803 0.000 0.000 0.838 506 Q CB -0.091 28.659 28.738 0.020 0.000 0.900 506 Q HN 0.577 nan 8.270 nan 0.000 0.436 507 D N 0.556 120.981 120.400 0.042 0.000 2.325 507 D HA 0.071 4.711 4.640 -0.001 0.000 0.234 507 D C -0.009 176.326 176.300 0.059 0.000 1.122 507 D CA 0.146 54.184 54.000 0.063 0.000 0.850 507 D CB 0.588 41.446 40.800 0.097 0.000 0.921 507 D HN -0.039 nan 8.370 nan 0.000 0.513 508 V N 0.514 120.432 119.914 0.006 0.000 2.735 508 V HA 0.179 4.298 4.120 -0.001 0.000 0.310 508 V C 0.066 176.138 176.094 -0.038 0.000 1.061 508 V CA -1.008 61.285 62.300 -0.013 0.000 0.913 508 V CB 2.535 34.286 31.823 -0.119 0.000 1.005 508 V HN -0.153 nan 8.190 nan 0.000 0.428 509 Q N 3.790 123.579 119.800 -0.018 0.000 2.678 509 Q HA 0.352 4.692 4.340 -0.001 0.000 0.222 509 Q C -0.467 175.473 176.000 -0.099 0.000 1.281 509 Q CA -0.305 55.457 55.803 -0.068 0.000 0.994 509 Q CB 0.430 29.125 28.738 -0.072 0.000 1.452 509 Q HN 0.551 nan 8.270 nan 0.000 0.570 510 M N 3.389 122.917 119.600 -0.120 0.000 2.238 510 M HA 0.243 4.723 4.480 -0.001 0.000 0.347 510 M C -1.887 174.332 176.300 -0.136 0.000 1.173 510 M CA -1.962 53.254 55.300 -0.141 0.000 1.147 510 M CB -0.294 32.219 32.600 -0.144 0.000 1.547 510 M HN 0.267 nan 8.290 nan 0.000 0.455 511 P HA 0.282 nan 4.420 nan 0.000 0.279 511 P C -0.727 176.500 177.300 -0.121 0.000 1.276 511 P CA -0.380 62.635 63.100 -0.142 0.000 0.801 511 P CB 0.741 32.351 31.700 -0.149 0.000 1.127 512 S N -0.995 114.625 115.700 -0.134 0.000 2.766 512 S HA 0.593 5.063 4.470 -0.001 0.000 0.307 512 S C -0.506 174.025 174.600 -0.114 0.000 1.121 512 S CA -0.746 57.392 58.200 -0.103 0.000 0.980 512 S CB 1.519 64.663 63.200 -0.094 0.000 1.159 512 S HN 0.516 nan 8.310 nan 0.000 0.546 513 K N 0.781 121.135 120.400 -0.077 0.000 2.640 513 K HA 0.305 4.625 4.320 -0.001 0.000 0.245 513 K C -1.210 175.360 176.600 -0.050 0.000 0.962 513 K CA -0.407 55.841 56.287 -0.066 0.000 0.896 513 K CB 1.130 33.612 32.500 -0.030 0.000 1.147 513 K HN 0.683 nan 8.250 nan 0.000 0.445 514 K N 4.408 124.767 120.400 -0.068 0.000 2.205 514 K HA 0.234 4.554 4.320 -0.001 0.000 0.279 514 K C -1.184 175.393 176.600 -0.039 0.000 1.027 514 K CA -0.624 55.635 56.287 -0.046 0.000 0.932 514 K CB 0.758 33.231 32.500 -0.045 0.000 1.032 514 K HN 0.457 nan 8.250 nan 0.000 0.466 515 L N 4.770 125.978 121.223 -0.025 0.000 2.442 515 L HA 0.418 4.758 4.340 -0.001 0.000 0.261 515 L C -1.205 175.691 176.870 0.043 0.000 1.000 515 L CA -0.018 54.837 54.840 0.024 0.000 0.882 515 L CB 0.990 43.121 42.059 0.121 0.000 1.207 515 L HN 0.737 nan 8.230 nan 0.000 0.443 516 D N 2.624 122.818 120.400 -0.343 0.000 2.837 516 D HA 0.523 5.162 4.640 -0.001 0.000 0.294 516 D C -1.466 174.404 176.300 -0.717 0.000 1.158 516 D CA -0.105 53.606 54.000 -0.480 0.000 1.073 516 D CB 2.258 42.782 40.800 -0.461 0.000 1.419 516 D HN 0.217 nan 8.370 nan 0.000 0.584 517 F N -0.128 119.392 119.950 -0.716 0.000 2.599 517 F HA 0.642 5.168 4.527 -0.001 0.000 0.311 517 F C -1.410 174.447 175.800 0.095 0.000 1.076 517 F CA -0.979 56.741 58.000 -0.466 0.000 0.937 517 F CB 1.158 39.380 39.000 -1.296 0.000 1.282 517 F HN 0.092 nan 8.300 nan 0.000 0.460 518 I N 2.421 123.311 120.570 0.533 0.000 2.910 518 I HA 0.690 4.859 4.170 -0.001 0.000 0.310 518 I C -1.419 174.992 176.117 0.489 0.000 1.043 518 I CA -1.266 60.264 61.300 0.383 0.000 1.053 518 I CB 2.250 40.432 38.000 0.304 0.000 1.242 518 I HN 0.731 nan 8.210 nan 0.000 0.452 519 V N 7.386 127.508 119.914 0.346 0.000 2.444 519 V HA 0.571 4.691 4.120 -0.001 0.000 0.294 519 V C -1.261 175.000 176.094 0.278 0.000 1.022 519 V CA -0.391 62.104 62.300 0.326 0.000 0.850 519 V CB 1.614 33.590 31.823 0.256 0.000 0.992 519 V HN 0.553 nan 8.190 nan 0.000 0.426 520 L N 5.668 127.125 121.223 0.391 0.000 2.354 520 L HA 0.647 4.986 4.340 -0.001 0.000 0.269 520 L C 0.641 177.687 176.870 0.292 0.000 1.005 520 L CA -1.088 53.936 54.840 0.306 0.000 0.819 520 L CB 1.818 44.059 42.059 0.303 0.000 1.311 520 L HN 0.669 nan 8.230 nan 0.000 0.423 521 N N 2.402 121.209 118.700 0.179 0.000 2.693 521 N HA -0.232 4.508 4.740 -0.001 0.000 0.250 521 N C -0.196 175.393 175.510 0.132 0.000 1.033 521 N CA 1.413 54.548 53.050 0.143 0.000 0.747 521 N CB -0.701 37.879 38.487 0.155 0.000 0.964 521 N HN 0.840 nan 8.380 nan 0.000 0.540 522 E N -3.695 116.574 120.200 0.115 0.000 2.868 522 E HA -0.197 4.153 4.350 -0.001 0.000 0.278 522 E C -0.611 176.014 176.600 0.042 0.000 1.009 522 E CA 1.065 57.510 56.400 0.075 0.000 0.856 522 E CB -1.915 27.818 29.700 0.055 0.000 1.428 522 E HN 0.436 nan 8.360 nan 0.000 0.423 523 T N 0.265 114.845 114.554 0.044 0.000 2.893 523 T HA 0.391 4.740 4.350 -0.001 0.000 0.293 523 T C -0.006 174.527 174.700 -0.279 0.000 1.027 523 T CA -0.821 61.188 62.100 -0.151 0.000 0.988 523 T CB 1.921 70.639 68.868 -0.251 0.000 1.043 523 T HN 0.020 nan 8.240 nan 0.000 0.461 524 R N 1.529 121.799 120.500 -0.383 0.000 2.438 524 R HA 0.387 4.727 4.340 -0.001 0.000 0.287 524 R C -1.095 174.916 176.300 -0.481 0.000 1.077 524 R CA 0.081 55.962 56.100 -0.365 0.000 1.034 524 R CB 0.385 30.365 30.300 -0.533 0.000 0.993 524 R HN 0.531 nan 8.270 nan 0.000 0.459 525 F N 2.526 122.598 119.950 0.204 0.000 2.716 525 F HA 0.217 4.744 4.527 -0.001 0.000 0.354 525 F C -0.484 175.531 175.800 0.359 0.000 1.168 525 F CA -0.879 57.273 58.000 0.255 0.000 1.045 525 F CB 0.859 40.057 39.000 0.329 0.000 1.311 525 F HN 0.431 nan 8.300 nan 0.000 0.477 526 W N 3.494 124.992 121.300 0.329 0.000 2.112 526 W HA 0.373 5.033 4.660 -0.000 0.000 0.349 526 W C -0.220 176.548 176.519 0.416 0.000 1.289 526 W CA -0.145 57.408 57.345 0.345 0.000 1.256 526 W CB 0.210 29.783 29.460 0.189 0.000 1.148 526 W HN 0.453 nan 8.180 nan 0.000 0.590 527 Y N -1.123 119.549 120.300 0.620 0.000 2.705 527 Y HA 0.615 5.165 4.550 -0.000 0.000 0.332 527 Y C -1.092 175.058 175.900 0.417 0.000 1.221 527 Y CA -1.911 56.536 58.100 0.578 0.000 1.059 527 Y CB 0.925 39.889 38.460 0.840 0.000 1.298 527 Y HN 0.559 nan 8.280 nan 0.000 0.459 528 Q N 1.558 121.631 119.800 0.454 0.000 2.456 528 Q HA 0.818 5.158 4.340 -0.001 0.000 0.284 528 Q C -1.837 174.303 176.000 0.234 0.000 1.061 528 Q CA -1.215 54.715 55.803 0.212 0.000 0.799 528 Q CB 3.487 32.312 28.738 0.146 0.000 1.445 528 Q HN 0.828 nan 8.270 nan 0.000 0.411 529 M N 1.680 121.329 119.600 0.081 0.000 2.378 529 M HA 0.455 4.934 4.480 -0.001 0.000 0.289 529 M C -1.403 174.834 176.300 -0.105 0.000 1.136 529 M CA -0.922 54.358 55.300 -0.034 0.000 0.917 529 M CB 2.425 34.964 32.600 -0.103 0.000 1.669 529 M HN 0.580 nan 8.290 nan 0.000 0.461 530 I N 4.716 125.208 120.570 -0.129 0.000 2.337 530 I HA 0.372 4.542 4.170 -0.001 0.000 0.285 530 I C -0.481 175.477 176.117 -0.265 0.000 1.041 530 I CA -0.374 60.832 61.300 -0.157 0.000 1.199 530 I CB 0.301 38.234 38.000 -0.111 0.000 1.370 530 I HN 0.630 nan 8.210 nan 0.000 0.470 531 L N 8.458 129.463 121.223 -0.363 0.000 2.305 531 L HA 0.390 4.730 4.340 -0.001 0.000 0.281 531 L C -1.918 174.725 176.870 -0.377 0.000 1.085 531 L CA -1.731 52.761 54.840 -0.581 0.000 0.813 531 L CB 0.818 42.361 42.059 -0.860 0.000 1.157 531 L HN 0.275 nan 8.230 nan 0.000 0.436 532 P HA 0.100 nan 4.420 nan 0.000 0.269 532 P C -2.333 174.885 177.300 -0.136 0.000 1.209 532 P CA -0.984 62.000 63.100 -0.193 0.000 0.776 532 P CB 0.226 31.853 31.700 -0.122 0.000 0.876 533 P HA -0.250 nan 4.420 nan 0.000 0.240 533 P C 0.808 177.987 177.300 -0.202 0.000 0.874 533 P CA 1.649 64.585 63.100 -0.273 0.000 1.103 533 P CB -0.749 30.690 31.700 -0.435 0.000 0.713 534 H N -1.239 117.861 119.070 0.051 0.000 4.635 534 H HA 0.014 4.570 4.556 -0.001 0.000 0.197 534 H C 0.351 175.725 175.328 0.077 0.000 1.041 534 H CA -0.227 55.850 56.048 0.048 0.000 1.280 534 H CB -2.099 27.682 29.762 0.032 0.000 1.415 534 H HN 0.118 nan 8.280 nan 0.000 0.875 535 F N 2.837 122.764 119.950 -0.039 0.000 2.514 535 F HA -0.082 4.444 4.527 -0.001 0.000 0.399 535 F C 0.340 176.121 175.800 -0.031 0.000 1.011 535 F CA -0.698 57.226 58.000 -0.127 0.000 1.109 535 F CB 0.154 38.948 39.000 -0.344 0.000 0.980 535 F HN 0.132 nan 8.300 nan 0.000 0.538 536 D N 5.472 125.603 120.400 -0.448 0.000 2.412 536 D HA 0.120 4.759 4.640 -0.001 0.000 0.224 536 D C 0.982 176.835 176.300 -0.746 0.000 1.093 536 D CA -0.406 53.306 54.000 -0.480 0.000 0.850 536 D CB 1.077 41.786 40.800 -0.151 0.000 1.046 536 D HN 0.640 nan 8.370 nan 0.000 0.507 537 K N 1.904 121.746 120.400 -0.931 0.000 2.444 537 K HA -0.187 4.132 4.320 -0.001 0.000 0.200 537 K C 1.492 178.009 176.600 -0.138 0.000 1.045 537 K CA 1.541 57.453 56.287 -0.624 0.000 0.934 537 K CB 0.128 32.426 32.500 -0.336 0.000 0.756 537 K HN 0.473 nan 8.250 nan 0.000 0.477 538 S N -0.680 114.942 115.700 -0.131 0.000 2.441 538 S HA 0.052 4.522 4.470 -0.001 0.000 0.224 538 S C 0.668 175.260 174.600 -0.013 0.000 1.043 538 S CA -0.183 57.996 58.200 -0.036 0.000 0.948 538 S CB 0.124 63.289 63.200 -0.057 0.000 0.810 538 S HN 0.101 nan 8.310 nan 0.000 0.504 539 K N 1.158 121.526 120.400 -0.054 0.000 2.143 539 K HA 0.284 4.604 4.320 -0.001 0.000 0.239 539 K C -0.385 176.188 176.600 -0.044 0.000 1.048 539 K CA 0.126 56.340 56.287 -0.121 0.000 0.867 539 K CB 0.261 32.585 32.500 -0.293 0.000 1.088 539 K HN 0.181 nan 8.250 nan 0.000 0.510 540 K N 1.750 122.044 120.400 -0.177 0.000 2.413 540 K HA 0.258 4.577 4.320 -0.001 0.000 0.257 540 K C -1.317 175.178 176.600 -0.174 0.000 0.946 540 K CA -0.502 55.762 56.287 -0.038 0.000 0.823 540 K CB 1.123 33.599 32.500 -0.039 0.000 1.109 540 K HN 0.350 nan 8.250 nan 0.000 0.427 541 Y N 2.212 122.564 120.300 0.086 0.000 2.534 541 Y HA 0.356 4.906 4.550 -0.001 0.000 0.329 541 Y C -2.004 173.834 175.900 -0.104 0.000 1.154 541 Y CA -2.661 55.447 58.100 0.012 0.000 1.192 541 Y CB 0.582 39.101 38.460 0.098 0.000 1.275 541 Y HN 0.436 nan 8.280 nan 0.000 0.491 542 P HA 0.201 nan 4.420 nan 0.000 0.282 542 P C -1.241 175.922 177.300 -0.229 0.000 1.249 542 P CA -0.262 62.582 63.100 -0.426 0.000 0.806 542 P CB 1.781 32.863 31.700 -1.030 0.000 0.984 543 L N 4.014 125.152 121.223 -0.142 0.000 2.322 543 L HA 0.550 4.889 4.340 -0.001 0.000 0.281 543 L C -1.142 175.880 176.870 0.254 0.000 1.014 543 L CA -0.830 54.039 54.840 0.050 0.000 0.815 543 L CB 1.316 43.399 42.059 0.040 0.000 1.247 543 L HN 0.179 nan 8.230 nan 0.000 0.421 544 L N 6.319 127.701 121.223 0.265 0.000 2.342 544 L HA 0.559 4.898 4.340 -0.001 0.000 0.276 544 L C -1.065 176.029 176.870 0.373 0.000 0.997 544 L CA -0.263 54.800 54.840 0.370 0.000 0.838 544 L CB 1.101 43.337 42.059 0.294 0.000 1.224 544 L HN 0.426 nan 8.230 nan 0.000 0.416 545 I N 4.077 124.925 120.570 0.464 0.000 2.371 545 I HA 0.230 4.399 4.170 -0.001 0.000 0.290 545 I C 0.102 176.486 176.117 0.445 0.000 1.028 545 I CA -0.032 61.538 61.300 0.450 0.000 1.345 545 I CB 1.027 39.325 38.000 0.497 0.000 1.407 545 I HN 0.600 nan 8.210 nan 0.000 0.501 546 D N 6.903 127.532 120.400 0.381 0.000 2.280 546 D HA 0.449 5.089 4.640 -0.001 0.000 0.236 546 D C -0.785 175.625 176.300 0.183 0.000 1.082 546 D CA -0.154 54.017 54.000 0.284 0.000 0.834 546 D CB 1.548 42.548 40.800 0.335 0.000 1.100 546 D HN 0.196 nan 8.370 nan 0.000 0.486 547 V N 3.347 123.289 119.914 0.048 0.000 2.960 547 V HA 0.489 4.609 4.120 -0.001 0.000 0.315 547 V C -0.388 175.830 176.094 0.206 0.000 1.087 547 V CA -0.710 61.672 62.300 0.137 0.000 0.982 547 V CB 1.753 33.647 31.823 0.118 0.000 1.039 547 V HN 0.648 nan 8.190 nan 0.000 0.437 548 Y N 1.724 122.092 120.300 0.112 0.000 3.267 548 Y HA 0.520 5.069 4.550 -0.001 0.000 0.156 548 Y C 1.606 177.635 175.900 0.215 0.000 0.922 548 Y CA 1.188 59.380 58.100 0.154 0.000 1.867 548 Y CB -0.273 38.250 38.460 0.105 0.000 1.383 548 Y HN 1.019 nan 8.280 nan 0.000 0.284 549 A N 1.096 124.023 122.820 0.179 0.000 2.826 549 A HA -0.124 4.196 4.320 -0.001 0.000 0.274 549 A C 0.880 178.302 177.584 -0.270 0.000 1.443 549 A CA 1.215 53.284 52.037 0.053 0.000 0.833 549 A CB -2.276 16.820 19.000 0.159 0.000 1.023 549 A HN 1.037 nan 8.150 nan 0.000 0.600 550 G N -1.166 107.168 108.800 -0.776 0.000 2.599 550 G HA2 0.516 4.476 3.960 -0.001 0.000 0.264 550 G HA3 0.516 4.476 3.960 -0.001 0.000 0.264 550 G C -2.303 172.166 174.900 -0.718 0.000 1.200 550 G CA -1.160 42.996 45.100 -1.573 0.000 0.896 550 G HN 0.272 nan 8.290 nan 0.000 0.536 551 P HA 0.053 nan 4.420 nan 0.000 0.264 551 P C 0.623 177.713 177.300 -0.351 0.000 1.183 551 P CA 0.206 62.958 63.100 -0.581 0.000 0.763 551 P CB 0.680 31.649 31.700 -1.220 0.000 0.807 552 C N 2.546 121.750 119.300 -0.160 0.000 4.356 552 C HA -0.144 4.315 4.460 -0.001 0.000 0.296 552 C C 0.884 175.917 174.990 0.071 0.000 1.424 552 C CA 1.046 59.995 59.018 -0.115 0.000 2.000 552 C CB -2.776 24.851 27.740 -0.188 0.000 1.262 552 C HN 0.781 nan 8.230 nan 0.000 0.789 553 S N -0.180 115.585 115.700 0.109 0.000 2.713 553 S HA 0.674 5.144 4.470 -0.001 0.000 0.283 553 S C -0.631 174.137 174.600 0.279 0.000 1.161 553 S CA -0.039 58.328 58.200 0.278 0.000 0.999 553 S CB 1.736 65.126 63.200 0.317 0.000 1.039 553 S HN 0.838 nan 8.310 nan 0.000 0.548 554 Q N -0.029 119.962 119.800 0.318 0.000 2.759 554 Q HA 0.281 4.621 4.340 -0.001 0.000 0.225 554 Q C -0.656 175.468 176.000 0.207 0.000 0.823 554 Q CA -0.567 55.405 55.803 0.282 0.000 0.828 554 Q CB 0.851 29.816 28.738 0.378 0.000 1.425 554 Q HN 0.665 nan 8.270 nan 0.000 0.449 555 K N 0.423 120.941 120.400 0.196 0.000 2.356 555 K HA 0.259 4.579 4.320 -0.001 0.000 0.195 555 K C 0.106 176.802 176.600 0.160 0.000 1.037 555 K CA 0.460 56.848 56.287 0.169 0.000 1.014 555 K CB 0.950 33.576 32.500 0.209 0.000 0.815 555 K HN 0.472 nan 8.250 nan 0.000 0.507 556 A N 2.820 125.748 122.820 0.181 0.000 2.273 556 A HA 0.406 4.726 4.320 -0.001 0.000 0.320 556 A C -0.744 176.906 177.584 0.110 0.000 1.358 556 A CA -0.567 51.580 52.037 0.182 0.000 0.910 556 A CB 0.084 19.256 19.000 0.287 0.000 1.159 556 A HN 0.269 nan 8.150 nan 0.000 0.526 557 D N 0.464 120.892 120.400 0.046 0.000 2.664 557 D HA 0.551 5.191 4.640 -0.001 0.000 0.292 557 D C -0.062 176.208 176.300 -0.049 0.000 1.214 557 D CA 0.043 54.041 54.000 -0.003 0.000 0.932 557 D CB 1.159 41.934 40.800 -0.042 0.000 1.420 557 D HN 0.308 nan 8.370 nan 0.000 0.471 558 A N -0.587 122.206 122.820 -0.045 0.000 2.640 558 A HA 0.668 4.987 4.320 -0.001 0.000 0.282 558 A C 0.386 177.886 177.584 -0.139 0.000 1.357 558 A CA 0.066 52.086 52.037 -0.029 0.000 0.946 558 A CB -0.970 18.075 19.000 0.074 0.000 1.065 558 A HN 0.725 nan 8.150 nan 0.000 0.541 559 A N -0.226 122.379 122.820 -0.359 0.000 2.306 559 A HA 0.615 4.934 4.320 -0.001 0.000 0.314 559 A C -0.430 177.078 177.584 -0.127 0.000 1.164 559 A CA -0.511 51.304 52.037 -0.369 0.000 0.822 559 A CB 0.148 18.728 19.000 -0.700 0.000 1.130 559 A HN 0.607 nan 8.150 nan 0.000 0.496 560 F N 2.453 122.310 119.950 -0.155 0.000 2.456 560 F HA 0.595 5.121 4.527 -0.001 0.000 0.358 560 F C 0.501 176.258 175.800 -0.071 0.000 1.095 560 F CA 0.198 58.138 58.000 -0.100 0.000 1.216 560 F CB 0.489 39.441 39.000 -0.080 0.000 1.125 560 F HN 0.627 nan 8.300 nan 0.000 0.549 561 R N 5.476 125.338 120.500 -1.062 0.000 2.707 561 R HA 0.544 4.884 4.340 -0.001 0.000 0.272 561 R C -1.667 174.142 176.300 -0.818 0.000 1.011 561 R CA -0.998 54.627 56.100 -0.791 0.000 0.893 561 R CB 1.983 32.084 30.300 -0.332 0.000 1.233 561 R HN 0.691 nan 8.270 nan 0.000 0.464 562 L N 3.884 124.838 121.223 -0.450 0.000 2.457 562 L HA 0.351 4.690 4.340 -0.001 0.000 0.252 562 L C -0.813 176.106 176.870 0.082 0.000 1.132 562 L CA -0.681 54.027 54.840 -0.219 0.000 0.938 562 L CB 0.424 42.434 42.059 -0.082 0.000 1.246 562 L HN 0.693 nan 8.230 nan 0.000 0.476 563 N N -0.835 117.875 118.700 0.018 0.000 3.124 563 N HA 0.185 4.924 4.740 -0.001 0.000 0.350 563 N C 0.408 175.679 175.510 -0.399 0.000 1.411 563 N CA -0.809 52.215 53.050 -0.044 0.000 0.729 563 N CB 0.154 38.652 38.487 0.019 0.000 1.379 563 N HN 0.247 nan 8.380 nan 0.000 0.599 564 W N 0.071 120.775 121.300 -0.993 0.000 2.425 564 W HA 0.259 4.919 4.660 -0.001 0.000 0.277 564 W C 1.877 178.302 176.519 -0.158 0.000 1.231 564 W CA 1.830 58.691 57.345 -0.808 0.000 1.248 564 W CB -0.774 28.252 29.460 -0.723 0.000 1.117 564 W HN 0.644 nan 8.180 nan 0.000 0.568 565 A N -0.531 122.252 122.820 -0.061 0.000 1.969 565 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 565 A C 1.940 179.452 177.584 -0.120 0.000 1.169 565 A CA 2.190 54.157 52.037 -0.117 0.000 0.635 565 A CB -1.145 17.868 19.000 0.022 0.000 0.810 565 A HN 0.258 nan 8.150 nan 0.000 0.445 566 T N -1.246 113.281 114.554 -0.045 0.000 2.708 566 T HA -0.184 4.166 4.350 -0.001 0.000 0.266 566 T C 1.809 176.598 174.700 0.149 0.000 1.037 566 T CA 1.698 63.794 62.100 -0.007 0.000 1.146 566 T CB -0.494 68.320 68.868 -0.090 0.000 0.865 566 T HN 0.648 nan 8.240 nan 0.000 0.435 567 Y N 2.113 122.506 120.300 0.154 0.000 2.128 567 Y HA -0.115 4.435 4.550 -0.001 0.000 0.284 567 Y C 1.995 177.843 175.900 -0.086 0.000 1.154 567 Y CA 1.102 59.250 58.100 0.080 0.000 1.149 567 Y CB -0.756 37.680 38.460 -0.039 0.000 0.976 567 Y HN 0.118 nan 8.280 nan 0.000 0.505 568 L N -0.024 120.892 121.223 -0.512 0.000 2.079 568 L HA -0.266 4.074 4.340 -0.001 0.000 0.210 568 L C 2.751 179.387 176.870 -0.391 0.000 1.081 568 L CA 1.386 55.849 54.840 -0.628 0.000 0.752 568 L CB -0.939 40.764 42.059 -0.593 0.000 0.896 568 L HN 0.453 nan 8.230 nan 0.000 0.433 569 A N -1.281 121.383 122.820 -0.260 0.000 1.861 569 A HA -0.153 4.167 4.320 -0.001 0.000 0.212 569 A C 2.465 179.958 177.584 -0.153 0.000 1.199 569 A CA 1.357 53.281 52.037 -0.189 0.000 0.613 569 A CB -0.647 18.246 19.000 -0.179 0.000 0.846 569 A HN 0.304 nan 8.150 nan 0.000 0.446 570 S N -1.162 114.469 115.700 -0.115 0.000 2.419 570 S HA -0.106 4.364 4.470 -0.001 0.000 0.233 570 S C 1.561 176.127 174.600 -0.057 0.000 1.016 570 S CA 2.250 60.416 58.200 -0.056 0.000 0.974 570 S CB -0.224 63.008 63.200 0.053 0.000 0.786 570 S HN 0.571 nan 8.310 nan 0.000 0.492 571 T N 0.016 114.475 114.554 -0.158 0.000 2.964 571 T HA 0.251 4.601 4.350 -0.001 0.000 0.250 571 T C 1.098 175.687 174.700 -0.185 0.000 0.982 571 T CA -0.126 61.884 62.100 -0.150 0.000 0.959 571 T CB 0.192 68.979 68.868 -0.134 0.000 1.141 571 T HN 0.234 nan 8.240 nan 0.000 0.494 572 E N 1.649 121.671 120.200 -0.298 0.000 2.481 572 E HA 0.204 4.554 4.350 -0.001 0.000 0.198 572 E C 0.079 176.635 176.600 -0.074 0.000 1.027 572 E CA -0.048 56.242 56.400 -0.183 0.000 0.900 572 E CB 0.091 29.641 29.700 -0.250 0.000 0.993 572 E HN 0.269 nan 8.360 nan 0.000 0.482 573 N N 0.759 119.423 118.700 -0.061 0.000 2.735 573 N HA -0.193 4.547 4.740 -0.001 0.000 0.248 573 N C -0.579 174.977 175.510 0.078 0.000 1.083 573 N CA 0.683 53.768 53.050 0.058 0.000 0.703 573 N CB -1.510 37.066 38.487 0.148 0.000 1.005 573 N HN 0.283 nan 8.380 nan 0.000 0.550 574 I N 0.994 121.540 120.570 -0.041 0.000 2.392 574 I HA 0.342 4.511 4.170 -0.001 0.000 0.295 574 I C 0.943 177.007 176.117 -0.088 0.000 0.985 574 I CA -0.666 60.612 61.300 -0.036 0.000 1.221 574 I CB 1.388 39.381 38.000 -0.012 0.000 1.366 574 I HN -0.075 nan 8.210 nan 0.000 0.467 575 I N 6.507 127.032 120.570 -0.075 0.000 2.337 575 I HA 0.176 4.346 4.170 -0.001 0.000 0.291 575 I C -0.416 175.667 176.117 -0.055 0.000 1.046 575 I CA -0.498 60.718 61.300 -0.139 0.000 1.324 575 I CB 0.999 38.907 38.000 -0.152 0.000 1.409 575 I HN 0.208 nan 8.210 nan 0.000 0.494 576 V N 6.673 126.552 119.914 -0.059 0.000 2.350 576 V HA 0.635 4.755 4.120 -0.001 0.000 0.276 576 V C 0.371 176.492 176.094 0.046 0.000 1.028 576 V CA -0.396 61.926 62.300 0.036 0.000 0.860 576 V CB 1.046 32.886 31.823 0.029 0.000 0.990 576 V HN 0.828 nan 8.190 nan 0.000 0.453 577 A N 3.976 126.859 122.820 0.106 0.000 2.401 577 A HA 0.907 5.227 4.320 -0.001 0.000 0.310 577 A C -0.257 177.509 177.584 0.303 0.000 1.075 577 A CA -0.508 51.600 52.037 0.118 0.000 0.746 577 A CB 1.870 20.777 19.000 -0.155 0.000 1.277 577 A HN 0.658 nan 8.150 nan 0.000 0.425 578 S N 0.117 116.036 115.700 0.365 0.000 2.566 578 S HA 0.797 5.267 4.470 -0.001 0.000 0.298 578 S C -1.366 173.602 174.600 0.613 0.000 1.083 578 S CA -0.292 58.163 58.200 0.424 0.000 0.978 578 S CB 1.274 64.659 63.200 0.309 0.000 1.073 578 S HN 0.780 nan 8.310 nan 0.000 0.491 579 F N 2.007 122.190 119.950 0.388 0.000 2.562 579 F HA 0.379 4.905 4.527 -0.000 0.000 0.319 579 F C -1.480 174.509 175.800 0.315 0.000 1.154 579 F CA -0.827 57.416 58.000 0.405 0.000 0.931 579 F CB 1.256 40.444 39.000 0.314 0.000 1.198 579 F HN 0.390 nan 8.300 nan 0.000 0.444 580 D N 5.193 125.434 120.400 -0.264 0.000 2.411 580 D HA 0.322 4.962 4.640 -0.001 0.000 0.225 580 D C 0.479 176.451 176.300 -0.547 0.000 1.156 580 D CA 0.254 54.132 54.000 -0.204 0.000 0.874 580 D CB 1.436 42.268 40.800 0.052 0.000 1.034 580 D HN 0.762 nan 8.370 nan 0.000 0.502 581 G N 1.615 110.151 108.800 -0.439 0.000 2.695 581 G HA2 0.262 4.222 3.960 -0.001 0.000 0.213 581 G HA3 0.262 4.222 3.960 -0.001 0.000 0.213 581 G C 0.256 175.121 174.900 -0.058 0.000 1.406 581 G CA -0.665 44.217 45.100 -0.365 0.000 1.049 581 G HN 0.292 nan 8.290 nan 0.000 0.573 582 R N -0.751 119.703 120.500 -0.077 0.000 2.679 582 R HA 0.376 4.715 4.340 -0.001 0.000 0.268 582 R C 1.173 177.505 176.300 0.054 0.000 1.044 582 R CA 1.236 57.376 56.100 0.066 0.000 1.105 582 R CB 0.391 30.715 30.300 0.039 0.000 0.989 582 R HN 1.075 nan 8.270 nan 0.000 0.447 583 G N 0.933 109.774 108.800 0.069 0.000 2.143 583 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.248 583 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.248 583 G C 0.139 175.040 174.900 0.002 0.000 0.991 583 G CA 0.498 45.624 45.100 0.045 0.000 0.689 583 G HN 0.716 nan 8.290 nan 0.000 0.522 584 S N -0.783 114.931 115.700 0.024 0.000 2.677 584 S HA 0.861 5.331 4.470 -0.001 0.000 0.290 584 S C 1.746 176.336 174.600 -0.016 0.000 1.124 584 S CA 0.389 58.598 58.200 0.016 0.000 1.017 584 S CB 1.102 64.337 63.200 0.058 0.000 1.215 584 S HN 2.002 nan 8.310 nan 0.000 0.524 585 G N 0.310 109.131 108.800 0.036 0.000 2.555 585 G HA2 -0.228 3.732 3.960 -0.001 0.000 1.020 585 G HA3 -0.228 3.732 3.960 -0.001 0.000 1.020 585 G C -0.610 174.134 174.900 -0.260 0.000 1.309 585 G CA 1.085 46.210 45.100 0.042 0.000 0.835 585 G HN 0.874 nan 8.290 nan 0.000 0.665 586 Y N 0.523 120.849 120.300 0.043 0.000 2.806 586 Y HA 0.533 5.082 4.550 -0.001 0.000 0.364 586 Y C 1.028 176.915 175.900 -0.022 0.000 1.101 586 Y CA -0.393 57.714 58.100 0.012 0.000 1.256 586 Y CB 0.578 39.071 38.460 0.055 0.000 1.363 586 Y HN 0.384 nan 8.280 nan 0.000 0.592 587 Q N 0.778 120.566 119.800 -0.020 0.000 2.106 587 Q HA 0.465 4.804 4.340 -0.001 0.000 0.273 587 Q C 0.394 176.193 176.000 -0.335 0.000 0.853 587 Q CA -0.234 55.540 55.803 -0.047 0.000 1.118 587 Q CB 1.485 30.228 28.738 0.008 0.000 1.240 587 Q HN 0.672 nan 8.270 nan 0.000 0.445 588 G N 0.703 109.168 108.800 -0.559 0.000 2.690 588 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.686 588 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.686 588 G C -0.360 174.169 174.900 -0.620 0.000 1.277 588 G CA -0.559 43.976 45.100 -0.941 0.000 0.799 588 G HN 0.198 nan 8.290 nan 0.000 0.613 589 D N 0.136 120.139 120.400 -0.661 0.000 2.264 589 D HA -0.060 4.580 4.640 -0.001 0.000 0.208 589 D C 2.151 178.168 176.300 -0.471 0.000 0.966 589 D CA 1.141 54.698 54.000 -0.738 0.000 0.864 589 D CB 0.050 40.315 40.800 -0.891 0.000 0.933 589 D HN 0.587 nan 8.370 nan 0.000 0.499 590 K N 0.857 121.052 120.400 -0.341 0.000 2.009 590 K HA -0.140 4.179 4.320 -0.001 0.000 0.210 590 K C 2.145 178.684 176.600 -0.102 0.000 1.049 590 K CA 0.937 57.121 56.287 -0.172 0.000 0.929 590 K CB -0.121 32.304 32.500 -0.125 0.000 0.714 590 K HN 0.105 nan 8.250 nan 0.000 0.440 591 I N 0.516 121.015 120.570 -0.118 0.000 2.233 591 I HA -0.263 3.906 4.170 -0.001 0.000 0.243 591 I C 2.706 178.816 176.117 -0.012 0.000 1.093 591 I CA 0.977 62.274 61.300 -0.006 0.000 1.380 591 I CB -0.111 37.897 38.000 0.013 0.000 1.067 591 I HN 0.347 nan 8.210 nan 0.000 0.413 592 M N 0.106 119.636 119.600 -0.116 0.000 2.077 592 M HA -0.229 4.250 4.480 -0.001 0.000 0.261 592 M C 2.225 178.574 176.300 0.082 0.000 1.070 592 M CA 1.880 57.144 55.300 -0.060 0.000 1.125 592 M CB -0.298 32.191 32.600 -0.185 0.000 1.339 592 M HN 0.212 nan 8.290 nan 0.000 0.409 593 H N 0.236 119.192 119.070 -0.189 0.000 2.561 593 H HA 0.143 4.699 4.556 -0.001 0.000 0.278 593 H C 1.926 177.242 175.328 -0.019 0.000 1.014 593 H CA 0.852 56.775 56.048 -0.210 0.000 1.211 593 H CB -0.754 28.787 29.762 -0.367 0.000 1.365 593 H HN 0.528 nan 8.280 nan 0.000 0.594 594 A N 0.459 123.347 122.820 0.113 0.000 2.084 594 A HA -0.143 4.176 4.320 -0.001 0.000 0.221 594 A C 2.247 179.893 177.584 0.103 0.000 1.161 594 A CA 1.187 53.280 52.037 0.093 0.000 0.653 594 A CB -0.593 18.459 19.000 0.086 0.000 0.802 594 A HN 0.420 nan 8.150 nan 0.000 0.457 595 I N -0.855 119.796 120.570 0.134 0.000 3.883 595 I HA 0.003 4.173 4.170 -0.001 0.000 0.326 595 I C 0.553 176.749 176.117 0.133 0.000 1.283 595 I CA -0.386 60.978 61.300 0.108 0.000 1.161 595 I CB -0.210 37.827 38.000 0.062 0.000 1.012 595 I HN 0.297 nan 8.210 nan 0.000 0.421 596 N N 2.222 121.052 118.700 0.217 0.000 2.294 596 N HA -0.185 4.554 4.740 -0.001 0.000 0.248 596 N C 0.663 176.250 175.510 0.128 0.000 1.242 596 N CA 0.956 54.148 53.050 0.236 0.000 0.848 596 N CB 0.374 38.959 38.487 0.163 0.000 1.084 596 N HN -0.008 nan 8.380 nan 0.000 0.457 597 K N -0.426 120.025 120.400 0.086 0.000 3.363 597 K HA -0.254 4.066 4.320 -0.001 0.000 0.313 597 K C -0.700 176.003 176.600 0.172 0.000 1.259 597 K CA 1.581 57.907 56.287 0.065 0.000 0.942 597 K CB -1.335 31.195 32.500 0.050 0.000 1.229 597 K HN 0.885 nan 8.250 nan 0.000 0.440 598 R N -0.616 119.948 120.500 0.106 0.000 2.924 598 R HA 0.393 4.733 4.340 -0.001 0.000 0.233 598 R C -0.125 176.179 176.300 0.006 0.000 1.685 598 R CA -0.485 55.667 56.100 0.088 0.000 1.462 598 R CB -0.374 29.983 30.300 0.096 0.000 1.542 598 R HN -0.064 nan 8.270 nan 0.000 0.667 599 L N 1.056 122.246 121.223 -0.054 0.000 2.476 599 L HA 0.589 4.929 4.340 -0.001 0.000 0.255 599 L C 1.226 178.228 176.870 0.220 0.000 1.218 599 L CA 0.254 55.116 54.840 0.037 0.000 0.819 599 L CB 0.561 42.521 42.059 -0.165 0.000 1.119 599 L HN 0.860 nan 8.230 nan 0.000 0.485 600 G N 0.464 109.475 108.800 0.352 0.000 2.198 600 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.257 600 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.257 600 G C 0.233 175.169 174.900 0.059 0.000 1.042 600 G CA 0.441 45.681 45.100 0.233 0.000 0.791 600 G HN 0.725 nan 8.290 nan 0.000 0.502 601 T N -0.686 113.899 114.554 0.052 0.000 2.206 601 T HA 0.354 4.704 4.350 -0.001 0.000 0.168 601 T C 2.314 177.018 174.700 0.007 0.000 0.753 601 T CA 0.242 62.345 62.100 0.005 0.000 1.041 601 T CB -0.140 68.725 68.868 -0.006 0.000 2.919 601 T HN 0.074 nan 8.240 nan 0.000 0.392 602 L N 2.118 123.351 121.223 0.016 0.000 2.013 602 L HA -0.135 4.205 4.340 -0.001 0.000 0.212 602 L C 2.904 179.787 176.870 0.021 0.000 1.073 602 L CA 1.822 56.669 54.840 0.012 0.000 0.753 602 L CB -0.886 41.185 42.059 0.021 0.000 0.890 602 L HN 0.605 nan 8.230 nan 0.000 0.432 603 E N 0.723 120.952 120.200 0.049 0.000 2.209 603 E HA -0.162 4.188 4.350 -0.001 0.000 0.196 603 E C 2.037 178.680 176.600 0.072 0.000 0.993 603 E CA 1.593 58.038 56.400 0.074 0.000 0.819 603 E CB -0.570 29.198 29.700 0.113 0.000 0.745 603 E HN 0.404 nan 8.360 nan 0.000 0.477 604 V N 1.624 121.557 119.914 0.031 0.000 2.273 604 V HA -0.194 3.926 4.120 -0.001 0.000 0.242 604 V C 2.369 178.450 176.094 -0.022 0.000 1.035 604 V CA 1.935 64.221 62.300 -0.024 0.000 1.013 604 V CB -0.622 31.144 31.823 -0.094 0.000 0.652 604 V HN 0.187 nan 8.190 nan 0.000 0.452 605 E N 0.532 120.718 120.200 -0.024 0.000 2.033 605 E HA -0.297 4.053 4.350 -0.001 0.000 0.199 605 E C 1.933 178.515 176.600 -0.031 0.000 1.011 605 E CA 1.826 58.208 56.400 -0.030 0.000 0.815 605 E CB -0.356 29.326 29.700 -0.031 0.000 0.755 605 E HN 0.558 nan 8.360 nan 0.000 0.451 606 D N 0.199 120.589 120.400 -0.017 0.000 2.228 606 D HA -0.190 4.449 4.640 -0.001 0.000 0.203 606 D C 1.918 178.221 176.300 0.005 0.000 0.988 606 D CA 1.074 55.070 54.000 -0.007 0.000 0.864 606 D CB -0.214 40.618 40.800 0.054 0.000 0.928 606 D HN 0.075 nan 8.370 nan 0.000 0.469 607 Q N -0.118 119.723 119.800 0.068 0.000 2.123 607 Q HA 0.035 4.375 4.340 -0.001 0.000 0.199 607 Q C 2.122 178.132 176.000 0.016 0.000 0.966 607 Q CA 0.723 56.583 55.803 0.095 0.000 0.845 607 Q CB -0.061 28.746 28.738 0.115 0.000 0.907 607 Q HN 0.347 nan 8.270 nan 0.000 0.439 608 I N -0.021 120.563 120.570 0.024 0.000 2.233 608 I HA -0.200 3.970 4.170 -0.001 0.000 0.243 608 I C 2.183 178.241 176.117 -0.098 0.000 1.093 608 I CA 0.831 62.184 61.300 0.088 0.000 1.380 608 I CB -0.279 37.769 38.000 0.079 0.000 1.067 608 I HN 0.191 nan 8.210 nan 0.000 0.413 609 E N 1.336 121.432 120.200 -0.173 0.000 2.070 609 E HA -0.250 4.099 4.350 -0.001 0.000 0.197 609 E C 2.268 178.582 176.600 -0.478 0.000 1.004 609 E CA 1.813 58.055 56.400 -0.264 0.000 0.805 609 E CB -0.291 29.268 29.700 -0.235 0.000 0.744 609 E HN 0.465 nan 8.360 nan 0.000 0.451 610 A N 0.778 123.145 122.820 -0.756 0.000 1.978 610 A HA -0.117 4.203 4.320 -0.001 0.000 0.220 610 A C 2.377 179.201 177.584 -1.267 0.000 1.170 610 A CA 2.235 53.481 52.037 -1.319 0.000 0.636 610 A CB -0.564 17.214 19.000 -2.036 0.000 0.810 610 A HN 0.301 nan 8.150 nan 0.000 0.448 611 A N -0.309 122.126 122.820 -0.643 0.000 1.930 611 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 611 A C 2.241 179.616 177.584 -0.347 0.000 1.175 611 A CA 1.215 53.031 52.037 -0.369 0.000 0.627 611 A CB -0.420 18.472 19.000 -0.180 0.000 0.815 611 A HN 0.478 nan 8.150 nan 0.000 0.443 612 R N -0.498 119.801 120.500 -0.335 0.000 2.080 612 R HA -0.140 4.199 4.340 -0.001 0.000 0.236 612 R C 2.197 178.339 176.300 -0.262 0.000 1.137 612 R CA 1.485 57.432 56.100 -0.254 0.000 0.943 612 R CB -0.612 29.562 30.300 -0.210 0.000 0.846 612 R HN 0.547 nan 8.270 nan 0.000 0.431 613 Q N 0.025 119.606 119.800 -0.366 0.000 2.181 613 Q HA -0.097 4.243 4.340 -0.001 0.000 0.205 613 Q C 2.117 177.984 176.000 -0.223 0.000 0.980 613 Q CA 1.430 57.039 55.803 -0.324 0.000 0.862 613 Q CB -0.341 28.135 28.738 -0.437 0.000 0.905 613 Q HN 0.465 nan 8.270 nan 0.000 0.429 614 F N 0.107 119.865 119.950 -0.319 0.000 2.206 614 F HA -0.134 4.393 4.527 -0.001 0.000 0.298 614 F C 2.240 177.812 175.800 -0.379 0.000 1.090 614 F CA 0.111 57.895 58.000 -0.359 0.000 1.323 614 F CB -0.081 38.733 39.000 -0.310 0.000 1.028 614 F HN 0.025 nan 8.300 nan 0.000 0.492 615 L N 0.197 121.350 121.223 -0.116 0.000 2.083 615 L HA -0.220 4.119 4.340 -0.001 0.000 0.209 615 L C 2.209 178.973 176.870 -0.176 0.000 1.083 615 L CA 1.422 56.161 54.840 -0.169 0.000 0.752 615 L CB -0.546 41.420 42.059 -0.155 0.000 0.899 615 L HN 0.057 nan 8.230 nan 0.000 0.433 616 K N -0.267 120.043 120.400 -0.150 0.000 2.360 616 K HA -0.097 4.223 4.320 -0.001 0.000 0.201 616 K C 1.808 178.334 176.600 -0.122 0.000 1.046 616 K CA 0.976 57.192 56.287 -0.118 0.000 0.945 616 K CB -0.064 32.377 32.500 -0.099 0.000 0.750 616 K HN 0.328 nan 8.250 nan 0.000 0.464 617 M N -0.269 119.218 119.600 -0.188 0.000 2.722 617 M HA -0.028 4.452 4.480 -0.001 0.000 0.238 617 M C 1.278 177.413 176.300 -0.273 0.000 1.098 617 M CA 0.714 55.889 55.300 -0.208 0.000 1.062 617 M CB 0.021 32.444 32.600 -0.295 0.000 1.573 617 M HN 0.479 nan 8.290 nan 0.000 0.531 618 G N 1.465 110.128 108.800 -0.228 0.000 3.078 618 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.227 618 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.227 618 G C 0.532 175.385 174.900 -0.079 0.000 1.306 618 G CA 0.636 45.670 45.100 -0.110 0.000 0.841 618 G HN 0.646 nan 8.290 nan 0.000 0.530 619 F N 1.653 121.666 119.950 0.104 0.000 2.716 619 F HA 0.676 5.203 4.527 -0.001 0.000 0.301 619 F C 0.341 176.260 175.800 0.198 0.000 1.210 619 F CA -0.505 57.605 58.000 0.182 0.000 1.422 619 F CB -0.214 38.989 39.000 0.337 0.000 1.073 619 F HN 0.148 nan 8.300 nan 0.000 0.525 620 V N 1.315 121.181 119.914 -0.079 0.000 2.417 620 V HA 0.121 4.240 4.120 -0.001 0.000 0.291 620 V C -0.253 175.811 176.094 -0.050 0.000 1.024 620 V CA -0.973 61.302 62.300 -0.042 0.000 0.861 620 V CB 1.498 33.227 31.823 -0.157 0.000 0.985 620 V HN 0.119 nan 8.190 nan 0.000 0.436 621 D N 3.684 124.058 120.400 -0.043 0.000 2.455 621 D HA -0.000 4.639 4.640 -0.001 0.000 0.234 621 D C 1.624 177.866 176.300 -0.096 0.000 1.224 621 D CA 0.564 54.516 54.000 -0.079 0.000 0.999 621 D CB 0.900 41.633 40.800 -0.112 0.000 1.072 621 D HN 0.721 nan 8.370 nan 0.000 0.514 622 S N 3.509 119.155 115.700 -0.090 0.000 2.428 622 S HA -0.219 4.250 4.470 -0.001 0.000 0.240 622 S C 1.472 176.026 174.600 -0.077 0.000 1.036 622 S CA 0.833 58.974 58.200 -0.098 0.000 1.009 622 S CB -0.066 63.078 63.200 -0.094 0.000 0.803 622 S HN 0.276 nan 8.310 nan 0.000 0.486 623 K N 0.805 121.169 120.400 -0.061 0.000 2.505 623 K HA 0.240 4.560 4.320 -0.001 0.000 0.192 623 K C 0.211 176.809 176.600 -0.004 0.000 1.025 623 K CA 0.231 56.500 56.287 -0.031 0.000 1.086 623 K CB -0.049 32.434 32.500 -0.028 0.000 0.840 623 K HN 0.429 nan 8.250 nan 0.000 0.514 624 R N 0.043 120.521 120.500 -0.037 0.000 2.837 624 R HA 0.217 4.556 4.340 -0.001 0.000 0.245 624 R C -1.527 174.762 176.300 -0.018 0.000 1.712 624 R CA -0.124 55.972 56.100 -0.007 0.000 1.539 624 R CB 1.116 31.271 30.300 -0.242 0.000 1.490 624 R HN -0.223 nan 8.270 nan 0.000 0.667 625 V N 1.253 121.273 119.914 0.176 0.000 2.448 625 V HA 0.868 4.988 4.120 -0.001 0.000 0.295 625 V C -0.113 176.232 176.094 0.417 0.000 1.025 625 V CA -0.707 61.701 62.300 0.180 0.000 0.859 625 V CB 1.673 33.411 31.823 -0.141 0.000 0.988 625 V HN 0.596 nan 8.190 nan 0.000 0.431 626 A N 4.993 128.165 122.820 0.586 0.000 2.437 626 A HA 1.003 5.322 4.320 -0.001 0.000 0.292 626 A C -1.095 176.871 177.584 0.636 0.000 1.173 626 A CA -0.761 51.614 52.037 0.563 0.000 0.785 626 A CB 1.869 21.045 19.000 0.294 0.000 1.351 626 A HN 0.915 nan 8.150 nan 0.000 0.431 627 I N 0.478 121.336 120.570 0.480 0.000 2.680 627 I HA 0.629 4.799 4.170 -0.001 0.000 0.291 627 I C -1.888 174.480 176.117 0.418 0.000 1.244 627 I CA -0.523 61.001 61.300 0.373 0.000 1.042 627 I CB 1.459 39.431 38.000 -0.047 0.000 1.277 627 I HN 0.944 nan 8.210 nan 0.000 0.423 628 W N 7.166 128.599 121.300 0.221 0.000 3.062 628 W HA 0.913 5.572 4.660 -0.001 0.000 0.336 628 W C -1.309 175.355 176.519 0.242 0.000 1.224 628 W CA -1.174 56.306 57.345 0.224 0.000 1.159 628 W CB 1.165 30.804 29.460 0.298 0.000 1.454 628 W HN 0.820 nan 8.180 nan 0.000 0.569 629 G N 0.300 109.032 108.800 -0.114 0.000 2.579 629 G HA2 0.413 4.373 3.960 -0.001 0.000 0.292 629 G HA3 0.413 4.373 3.960 -0.001 0.000 0.292 629 G C -2.741 172.091 174.900 -0.114 0.000 1.484 629 G CA -0.786 44.104 45.100 -0.351 0.000 0.813 629 G HN 0.603 nan 8.290 nan 0.000 0.515 630 W N 1.228 122.401 121.300 -0.212 0.000 2.606 630 W HA 0.575 5.235 4.660 -0.000 0.000 0.332 630 W C 1.018 177.586 176.519 0.081 0.000 1.052 630 W CA 0.497 57.803 57.345 -0.065 0.000 1.223 630 W CB 1.955 31.362 29.460 -0.089 0.000 1.383 630 W HN 1.162 nan 8.180 nan 0.000 0.524 631 S N 2.802 118.719 115.700 0.363 0.000 4.137 631 S HA -0.442 4.028 4.470 -0.001 0.000 0.550 631 S C 1.342 176.046 174.600 0.174 0.000 1.887 631 S CA 2.184 60.594 58.200 0.350 0.000 4.230 631 S CB -1.853 61.715 63.200 0.614 0.000 0.378 631 S HN 0.697 nan 8.310 nan 0.000 0.490 632 Y N 2.255 122.562 120.300 0.012 0.000 2.193 632 Y HA -0.037 4.513 4.550 -0.001 0.000 0.285 632 Y C 2.484 178.373 175.900 -0.017 0.000 1.166 632 Y CA 2.573 60.601 58.100 -0.120 0.000 1.181 632 Y CB -1.048 37.128 38.460 -0.474 0.000 0.976 632 Y HN 0.543 nan 8.280 nan 0.000 0.520 633 G N -1.019 107.915 108.800 0.223 0.000 2.422 633 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.218 633 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.218 633 G C 1.857 176.814 174.900 0.096 0.000 1.146 633 G CA 0.780 46.005 45.100 0.208 0.000 0.769 633 G HN 0.570 nan 8.290 nan 0.000 0.547 634 G N -0.470 108.380 108.800 0.083 0.000 2.448 634 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.218 634 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.218 634 G C 1.551 176.477 174.900 0.043 0.000 1.135 634 G CA 1.004 46.128 45.100 0.041 0.000 0.784 634 G HN 0.422 nan 8.290 nan 0.000 0.543 635 Y N 1.582 121.788 120.300 -0.156 0.000 2.089 635 Y HA -0.134 4.415 4.550 -0.001 0.000 0.282 635 Y C 2.730 178.528 175.900 -0.171 0.000 1.139 635 Y CA 1.633 59.583 58.100 -0.250 0.000 1.123 635 Y CB -0.561 37.596 38.460 -0.505 0.000 0.980 635 Y HN 0.020 nan 8.280 nan 0.000 0.493 636 V N -0.140 119.643 119.914 -0.218 0.000 2.343 636 V HA -0.333 3.787 4.120 -0.001 0.000 0.247 636 V C 2.332 178.298 176.094 -0.212 0.000 1.051 636 V CA 2.365 64.507 62.300 -0.263 0.000 1.036 636 V CB -1.325 30.484 31.823 -0.023 0.000 0.654 636 V HN 0.499 nan 8.190 nan 0.000 0.451 637 T N 0.138 114.629 114.554 -0.105 0.000 2.607 637 T HA -0.233 4.117 4.350 -0.001 0.000 0.267 637 T C 2.150 176.760 174.700 -0.149 0.000 1.049 637 T CA 2.180 64.226 62.100 -0.091 0.000 1.162 637 T CB -0.357 68.545 68.868 0.056 0.000 0.863 637 T HN 0.540 nan 8.240 nan 0.000 0.424 638 S N 1.024 116.677 115.700 -0.079 0.000 2.370 638 S HA -0.041 4.428 4.470 -0.001 0.000 0.226 638 S C 2.112 176.613 174.600 -0.164 0.000 1.033 638 S CA 1.016 59.179 58.200 -0.062 0.000 1.011 638 S CB -0.310 62.916 63.200 0.043 0.000 0.852 638 S HN 0.333 nan 8.310 nan 0.000 0.457 639 M N 0.697 120.110 119.600 -0.311 0.000 2.296 639 M HA -0.008 4.472 4.480 -0.001 0.000 0.265 639 M C 2.079 178.201 176.300 -0.296 0.000 1.064 639 M CA 0.947 56.041 55.300 -0.344 0.000 1.109 639 M CB -1.059 31.203 32.600 -0.563 0.000 1.396 639 M HN 0.201 nan 8.290 nan 0.000 0.430 640 V N 0.373 120.089 119.914 -0.329 0.000 2.302 640 V HA -0.191 3.929 4.120 -0.001 0.000 0.243 640 V C 2.439 178.287 176.094 -0.411 0.000 1.036 640 V CA 1.105 63.192 62.300 -0.355 0.000 1.020 640 V CB -0.517 31.021 31.823 -0.476 0.000 0.657 640 V HN 0.372 nan 8.190 nan 0.000 0.453 641 L N 0.653 121.571 121.223 -0.509 0.000 2.079 641 L HA -0.113 4.227 4.340 -0.001 0.000 0.210 641 L C 2.266 178.598 176.870 -0.896 0.000 1.081 641 L CA 1.735 56.183 54.840 -0.653 0.000 0.752 641 L CB -0.890 40.708 42.059 -0.768 0.000 0.896 641 L HN 0.507 nan 8.230 nan 0.000 0.433 642 G N -1.222 107.050 108.800 -0.880 0.000 3.181 642 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.219 642 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.219 642 G C 1.479 176.236 174.900 -0.238 0.000 1.182 642 G CA 0.598 45.346 45.100 -0.586 0.000 0.791 642 G HN 0.464 nan 8.290 nan 0.000 0.537 643 S N -0.699 114.859 115.700 -0.237 0.000 2.528 643 S HA 0.286 4.756 4.470 -0.001 0.000 0.219 643 S C 1.952 176.496 174.600 -0.093 0.000 0.985 643 S CA 0.906 59.026 58.200 -0.132 0.000 0.914 643 S CB -0.123 63.006 63.200 -0.118 0.000 0.776 643 S HN 1.288 nan 8.310 nan 0.000 0.526 644 G N 1.812 110.543 108.800 -0.115 0.000 2.258 644 G HA2 -0.350 3.610 3.960 -0.001 0.000 0.274 644 G HA3 -0.350 3.610 3.960 -0.001 0.000 0.274 644 G C 0.884 175.765 174.900 -0.032 0.000 1.021 644 G CA 0.853 45.913 45.100 -0.066 0.000 0.798 644 G HN 1.311 nan 8.290 nan 0.000 0.507 645 S N -0.960 114.729 115.700 -0.018 0.000 2.515 645 S HA 0.302 4.772 4.470 -0.001 0.000 0.231 645 S C 2.527 177.137 174.600 0.016 0.000 0.987 645 S CA 1.411 59.616 58.200 0.009 0.000 0.936 645 S CB -0.196 63.032 63.200 0.046 0.000 0.766 645 S HN 2.364 nan 8.310 nan 0.000 0.528 646 G N 0.381 109.194 108.800 0.023 0.000 2.257 646 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.267 646 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.267 646 G C 0.857 175.764 174.900 0.012 0.000 0.984 646 G CA 0.503 45.612 45.100 0.016 0.000 0.626 646 G HN 0.778 nan 8.290 nan 0.000 0.540 647 V N -0.389 119.537 119.914 0.020 0.000 2.759 647 V HA 0.205 4.325 4.120 -0.001 0.000 0.256 647 V C 1.071 176.980 176.094 -0.308 0.000 1.080 647 V CA 1.576 63.786 62.300 -0.150 0.000 1.101 647 V CB -0.509 31.177 31.823 -0.227 0.000 0.698 647 V HN 0.325 nan 8.190 nan 0.000 0.477 648 F N -0.763 119.186 119.950 -0.002 0.000 2.508 648 F HA 0.459 4.986 4.527 -0.001 0.000 0.325 648 F C 0.917 176.743 175.800 0.044 0.000 1.090 648 F CA -1.027 56.996 58.000 0.038 0.000 0.945 648 F CB 1.797 40.819 39.000 0.036 0.000 1.156 648 F HN -0.335 nan 8.300 nan 0.000 0.463 649 K N 1.187 121.743 120.400 0.260 0.000 2.044 649 K HA 0.124 4.444 4.320 -0.001 0.000 0.204 649 K C 0.020 176.733 176.600 0.188 0.000 1.045 649 K CA 1.039 57.437 56.287 0.185 0.000 0.951 649 K CB 0.233 32.845 32.500 0.186 0.000 0.738 649 K HN 0.793 nan 8.250 nan 0.000 0.443 650 c N -2.118 116.620 118.600 0.230 0.000 3.213 650 c HA 0.945 5.514 4.570 -0.001 0.000 0.319 650 c C -0.018 174.276 174.090 0.339 0.000 1.386 650 c CA -0.645 55.847 56.329 0.271 0.000 1.494 650 c CB 1.020 43.627 42.510 0.161 0.000 1.905 650 c HN 0.442 nan 8.230 nan 0.000 0.456 651 G N -0.243 108.826 108.800 0.448 0.000 2.632 651 G HA2 0.680 4.639 3.960 -0.001 0.000 0.292 651 G HA3 0.680 4.639 3.960 -0.001 0.000 0.292 651 G C -1.948 173.175 174.900 0.372 0.000 1.465 651 G CA -0.639 44.691 45.100 0.383 0.000 0.824 651 G HN 0.942 nan 8.290 nan 0.000 0.509 652 I N 0.626 121.389 120.570 0.322 0.000 2.499 652 I HA 0.636 4.806 4.170 -0.001 0.000 0.288 652 I C 0.057 176.309 176.117 0.224 0.000 1.048 652 I CA -1.041 60.345 61.300 0.144 0.000 1.062 652 I CB 2.306 40.370 38.000 0.106 0.000 1.238 652 I HN 0.677 nan 8.210 nan 0.000 0.426 653 A N 6.385 129.245 122.820 0.068 0.000 2.311 653 A HA 0.764 5.083 4.320 -0.001 0.000 0.306 653 A C -0.793 176.698 177.584 -0.155 0.000 1.189 653 A CA -0.513 51.550 52.037 0.042 0.000 0.791 653 A CB 1.176 20.273 19.000 0.161 0.000 1.172 653 A HN 0.435 nan 8.150 nan 0.000 0.481 654 V N 2.119 121.867 119.914 -0.277 0.000 2.398 654 V HA 0.566 4.686 4.120 -0.001 0.000 0.286 654 V C 0.992 176.689 176.094 -0.662 0.000 1.026 654 V CA 0.322 62.241 62.300 -0.636 0.000 0.868 654 V CB 0.798 31.864 31.823 -1.263 0.000 0.982 654 V HN 2.092 nan 8.190 nan 0.000 0.443 655 A N 5.723 128.138 122.820 -0.675 0.000 2.415 655 A HA -0.107 4.213 4.320 -0.001 0.000 0.292 655 A C -1.668 175.771 177.584 -0.241 0.000 1.452 655 A CA 0.459 52.022 52.037 -0.790 0.000 0.750 655 A CB -1.537 17.102 19.000 -0.600 0.000 1.099 655 A HN 0.632 nan 8.150 nan 0.000 0.391 656 P HA 0.471 nan 4.420 nan 0.000 0.276 656 P C -0.065 177.203 177.300 -0.053 0.000 1.261 656 P CA -0.327 62.747 63.100 -0.043 0.000 0.800 656 P CB 1.272 32.971 31.700 -0.002 0.000 1.066 657 V N 1.340 121.135 119.914 -0.199 0.000 2.481 657 V HA 0.147 4.267 4.120 -0.001 0.000 0.286 657 V C 1.556 177.448 176.094 -0.335 0.000 1.042 657 V CA 0.352 62.394 62.300 -0.431 0.000 0.928 657 V CB 1.110 32.310 31.823 -1.039 0.000 0.986 657 V HN 0.768 nan 8.190 nan 0.000 0.462 658 S N 3.927 119.472 115.700 -0.258 0.000 2.514 658 S HA 0.245 4.714 4.470 -0.001 0.000 0.223 658 S C 0.485 174.897 174.600 -0.314 0.000 1.046 658 S CA -0.389 57.714 58.200 -0.160 0.000 0.914 658 S CB 0.246 63.428 63.200 -0.029 0.000 0.807 658 S HN 0.841 nan 8.310 nan 0.000 0.497 659 R N -1.222 118.936 120.500 -0.569 0.000 2.579 659 R HA 0.328 4.668 4.340 -0.001 0.000 0.260 659 R C -1.088 174.840 176.300 -0.621 0.000 1.103 659 R CA -0.912 54.818 56.100 -0.616 0.000 0.942 659 R CB -0.217 29.735 30.300 -0.580 0.000 1.251 659 R HN 0.149 nan 8.270 nan 0.000 0.450 660 W N 1.548 122.751 121.300 -0.163 0.000 2.424 660 W HA -0.056 4.604 4.660 -0.001 0.000 0.264 660 W C 1.170 177.831 176.519 0.237 0.000 1.229 660 W CA 0.877 58.218 57.345 -0.006 0.000 1.208 660 W CB 0.107 29.453 29.460 -0.189 0.000 1.127 660 W HN 0.737 nan 8.180 nan 0.000 0.588 661 E N -1.085 119.304 120.200 0.316 0.000 2.268 661 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 661 E C 1.506 178.316 176.600 0.350 0.000 0.995 661 E CA 0.974 57.546 56.400 0.287 0.000 0.836 661 E CB -0.351 29.424 29.700 0.125 0.000 0.763 661 E HN 0.332 nan 8.360 nan 0.000 0.491 662 Y N -1.143 119.273 120.300 0.194 0.000 2.395 662 Y HA 0.007 4.556 4.550 -0.001 0.000 0.293 662 Y C 0.859 176.913 175.900 0.256 0.000 1.123 662 Y CA -0.209 57.987 58.100 0.159 0.000 1.227 662 Y CB -0.682 37.813 38.460 0.059 0.000 1.012 662 Y HN 0.035 nan 8.280 nan 0.000 0.552 663 Y N 2.216 122.706 120.300 0.318 0.000 2.298 663 Y HA 0.220 4.769 4.550 -0.001 0.000 0.329 663 Y C 0.591 176.750 175.900 0.432 0.000 1.293 663 Y CA -1.821 56.486 58.100 0.345 0.000 1.388 663 Y CB 0.204 38.900 38.460 0.393 0.000 1.309 663 Y HN 0.219 nan 8.280 nan 0.000 0.544 664 D N -0.386 119.801 120.400 -0.354 0.000 2.362 664 D HA 0.046 4.686 4.640 -0.001 0.000 0.238 664 D C 0.903 177.194 176.300 -0.014 0.000 1.212 664 D CA 0.470 54.308 54.000 -0.270 0.000 0.902 664 D CB 0.698 41.097 40.800 -0.668 0.000 1.180 664 D HN 0.475 nan 8.370 nan 0.000 0.445 665 S N 0.680 116.374 115.700 -0.011 0.000 2.338 665 S HA -0.193 4.277 4.470 -0.001 0.000 0.218 665 S C 2.076 176.692 174.600 0.027 0.000 1.032 665 S CA 1.076 59.315 58.200 0.065 0.000 0.999 665 S CB -1.104 62.145 63.200 0.081 0.000 0.905 665 S HN 0.431 nan 8.310 nan 0.000 0.439 666 V N 1.013 120.890 119.914 -0.062 0.000 2.317 666 V HA -0.228 3.892 4.120 -0.001 0.000 0.251 666 V C 2.277 178.245 176.094 -0.209 0.000 1.065 666 V CA 2.398 64.548 62.300 -0.249 0.000 1.049 666 V CB -1.097 30.441 31.823 -0.474 0.000 0.651 666 V HN 0.573 nan 8.190 nan 0.000 0.450 667 Y N 1.272 121.499 120.300 -0.121 0.000 2.109 667 Y HA -0.200 4.349 4.550 -0.001 0.000 0.281 667 Y C 2.782 178.672 175.900 -0.017 0.000 1.113 667 Y CA 2.279 60.381 58.100 0.003 0.000 1.098 667 Y CB -0.803 37.865 38.460 0.347 0.000 0.996 667 Y HN 0.211 nan 8.280 nan 0.000 0.485 668 T N 0.572 115.272 114.554 0.243 0.000 2.597 668 T HA -0.287 4.062 4.350 -0.001 0.000 0.267 668 T C 1.595 176.199 174.700 -0.160 0.000 1.053 668 T CA 2.184 64.338 62.100 0.089 0.000 1.165 668 T CB -0.551 68.560 68.868 0.405 0.000 0.863 668 T HN 0.434 nan 8.240 nan 0.000 0.427 669 E N 0.410 120.578 120.200 -0.053 0.000 2.219 669 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 669 E C 2.315 178.755 176.600 -0.267 0.000 0.998 669 E CA 0.776 57.135 56.400 -0.068 0.000 0.818 669 E CB -0.185 29.528 29.700 0.022 0.000 0.741 669 E HN 0.379 nan 8.360 nan 0.000 0.477 670 R N -0.034 120.138 120.500 -0.547 0.000 2.127 670 R HA -0.181 4.158 4.340 -0.001 0.000 0.238 670 R C 1.158 176.847 176.300 -1.018 0.000 1.134 670 R CA 1.548 57.133 56.100 -0.858 0.000 0.975 670 R CB 0.012 29.497 30.300 -1.360 0.000 0.865 670 R HN 0.295 nan 8.270 nan 0.000 0.447 671 Y N -2.487 117.417 120.300 -0.661 0.000 2.483 671 Y HA 0.238 4.788 4.550 -0.001 0.000 0.258 671 Y C 1.676 177.342 175.900 -0.391 0.000 1.083 671 Y CA -0.366 57.348 58.100 -0.643 0.000 1.283 671 Y CB 0.562 38.497 38.460 -0.876 0.000 1.178 671 Y HN -0.046 nan 8.280 nan 0.000 0.515 672 M N -0.205 119.243 119.600 -0.254 0.000 2.308 672 M HA 0.365 4.845 4.480 -0.001 0.000 0.269 672 M C 1.082 177.402 176.300 0.034 0.000 1.040 672 M CA 0.791 55.965 55.300 -0.210 0.000 1.024 672 M CB -0.162 32.100 32.600 -0.565 0.000 1.465 672 M HN 0.361 nan 8.290 nan 0.000 0.517 673 G N 1.838 110.656 108.800 0.030 0.000 2.598 673 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 673 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 673 G C -0.535 174.469 174.900 0.173 0.000 1.302 673 G CA -0.730 44.419 45.100 0.082 0.000 0.903 673 G HN 0.342 nan 8.290 nan 0.000 0.575 674 L N 2.188 123.473 121.223 0.105 0.000 2.307 674 L HA 0.412 4.752 4.340 -0.001 0.000 0.282 674 L C -1.312 175.497 176.870 -0.102 0.000 1.051 674 L CA -1.788 53.066 54.840 0.023 0.000 0.804 674 L CB 2.033 44.086 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 -0.200 176.908 177.300 -0.320 0.000 1.650 675 P CA -0.005 62.606 63.100 -0.816 0.000 0.846 675 P CB -0.622 30.382 31.700 -1.160 0.000 1.758 676 T N -3.543 110.914 114.554 -0.161 0.000 2.918 676 T HA 0.421 4.770 4.350 -0.001 0.000 0.286 676 T C -1.797 172.876 174.700 -0.045 0.000 1.026 676 T CA -2.405 59.644 62.100 -0.085 0.000 1.031 676 T CB 2.022 70.855 68.868 -0.058 0.000 1.046 676 T HN -0.202 nan 8.240 nan 0.000 0.479 677 P HA -0.094 nan 4.420 nan 0.000 0.222 677 P C 0.846 178.138 177.300 -0.012 0.000 1.147 677 P CA 1.038 64.131 63.100 -0.012 0.000 0.790 677 P CB 0.202 31.898 31.700 -0.008 0.000 0.780 678 E N -0.796 119.394 120.200 -0.018 0.000 2.427 678 E HA -0.060 4.290 4.350 -0.001 0.000 0.196 678 E C 1.123 177.712 176.600 -0.018 0.000 1.028 678 E CA 0.521 56.911 56.400 -0.017 0.000 0.864 678 E CB 0.058 29.747 29.700 -0.018 0.000 0.813 678 E HN 0.344 nan 8.360 nan 0.000 0.514 679 D N 0.721 121.111 120.400 -0.017 0.000 3.361 679 D HA 0.039 4.678 4.640 -0.001 0.000 0.202 679 D C 0.272 176.564 176.300 -0.013 0.000 1.208 679 D CA -0.239 53.753 54.000 -0.012 0.000 1.397 679 D CB -0.061 40.739 40.800 0.001 0.000 0.948 679 D HN -0.101 nan 8.370 nan 0.000 0.167 680 N N 0.316 119.036 118.700 0.033 0.000 2.275 680 N HA 0.049 4.789 4.740 -0.001 0.000 0.236 680 N C 1.449 177.087 175.510 0.213 0.000 1.154 680 N CA -0.143 52.950 53.050 0.071 0.000 0.866 680 N CB 0.660 39.226 38.487 0.131 0.000 1.093 680 N HN 0.041 nan 8.380 nan 0.000 0.515 681 L N 1.024 122.303 121.223 0.093 0.000 2.089 681 L HA -0.214 4.126 4.340 -0.001 0.000 0.213 681 L C 1.339 178.322 176.870 0.188 0.000 1.079 681 L CA 1.982 56.869 54.840 0.078 0.000 0.758 681 L CB -0.422 41.635 42.059 -0.003 0.000 0.891 681 L HN 0.157 nan 8.230 nan 0.000 0.433 682 D N -1.335 119.161 120.400 0.160 0.000 2.092 682 D HA -0.198 4.442 4.640 -0.001 0.000 0.193 682 D C 2.104 178.596 176.300 0.320 0.000 0.994 682 D CA 1.622 55.742 54.000 0.200 0.000 0.828 682 D CB -0.302 40.602 40.800 0.173 0.000 0.963 682 D HN 0.462 nan 8.370 nan 0.000 0.450 683 H N -0.838 118.319 119.070 0.144 0.000 2.421 683 H HA -0.078 4.477 4.556 -0.001 0.000 0.298 683 H C 1.811 177.227 175.328 0.147 0.000 1.087 683 H CA 0.766 56.882 56.048 0.114 0.000 1.330 683 H CB -0.558 29.241 29.762 0.063 0.000 1.388 683 H HN 0.300 nan 8.280 nan 0.000 0.526 684 Y N 0.844 121.270 120.300 0.210 0.000 2.089 684 Y HA -0.172 4.378 4.550 -0.001 0.000 0.282 684 Y C 2.573 178.552 175.900 0.133 0.000 1.139 684 Y CA 1.464 59.674 58.100 0.183 0.000 1.123 684 Y CB -0.032 38.508 38.460 0.134 0.000 0.980 684 Y HN 0.065 nan 8.280 nan 0.000 0.493 685 R N -0.185 120.482 120.500 0.278 0.000 2.189 685 R HA -0.144 4.196 4.340 -0.001 0.000 0.223 685 R C 1.743 178.110 176.300 0.111 0.000 1.092 685 R CA 1.012 57.203 56.100 0.151 0.000 0.989 685 R CB -0.373 29.996 30.300 0.115 0.000 0.876 685 R HN 0.388 nan 8.270 nan 0.000 0.457 686 N N 0.882 119.657 118.700 0.125 0.000 2.300 686 N HA -0.069 4.670 4.740 -0.001 0.000 0.179 686 N C 0.849 176.396 175.510 0.062 0.000 1.016 686 N CA 1.094 54.188 53.050 0.073 0.000 0.876 686 N CB 0.198 38.713 38.487 0.046 0.000 0.979 686 N HN 0.135 nan 8.380 nan 0.000 0.432 687 S N -0.524 115.240 115.700 0.108 0.000 2.677 687 S HA 0.157 4.626 4.470 -0.001 0.000 0.246 687 S C 0.503 175.193 174.600 0.151 0.000 1.005 687 S CA -0.494 57.797 58.200 0.152 0.000 1.062 687 S CB -0.243 63.123 63.200 0.276 0.000 0.778 687 S HN -0.076 nan 8.310 nan 0.000 0.461 688 T N 1.473 116.065 114.554 0.064 0.000 2.913 688 T HA 0.278 4.628 4.350 -0.001 0.000 0.297 688 T C 1.381 176.082 174.700 0.001 0.000 1.029 688 T CA -0.357 61.746 62.100 0.006 0.000 1.104 688 T CB 1.425 70.280 68.868 -0.022 0.000 0.964 688 T HN 0.113 nan 8.240 nan 0.000 0.532 689 V N 4.036 123.939 119.914 -0.018 0.000 2.488 689 V HA -0.116 4.003 4.120 -0.001 0.000 0.246 689 V C 2.539 178.584 176.094 -0.082 0.000 1.046 689 V CA 1.134 63.407 62.300 -0.044 0.000 1.053 689 V CB -0.426 31.366 31.823 -0.051 0.000 0.679 689 V HN 0.835 nan 8.190 nan 0.000 0.458 690 M N 1.053 120.597 119.600 -0.093 0.000 2.358 690 M HA -0.075 4.404 4.480 -0.001 0.000 0.264 690 M C 2.175 178.437 176.300 -0.063 0.000 1.064 690 M CA 1.980 57.215 55.300 -0.108 0.000 1.093 690 M CB -2.022 30.534 32.600 -0.074 0.000 1.401 690 M HN 0.529 nan 8.290 nan 0.000 0.440 691 S N 0.657 116.338 115.700 -0.031 0.000 2.595 691 S HA 0.008 4.477 4.470 -0.001 0.000 0.235 691 S C 1.515 176.120 174.600 0.008 0.000 0.974 691 S CA 0.237 58.433 58.200 -0.007 0.000 0.942 691 S CB -0.425 62.777 63.200 0.004 0.000 0.766 691 S HN 0.664 nan 8.310 nan 0.000 0.536 692 R N -0.175 120.336 120.500 0.020 0.000 2.596 692 R HA 0.461 4.801 4.340 -0.001 0.000 0.369 692 R C 1.838 178.242 176.300 0.173 0.000 1.042 692 R CA 0.406 56.559 56.100 0.088 0.000 1.120 692 R CB 0.048 30.417 30.300 0.115 0.000 1.353 692 R HN 0.396 nan 8.270 nan 0.000 0.564 693 A N 1.754 124.585 122.820 0.019 0.000 1.927 693 A HA -0.241 4.079 4.320 -0.001 0.000 0.220 693 A C 1.893 179.552 177.584 0.125 0.000 1.185 693 A CA 1.452 53.455 52.037 -0.057 0.000 0.639 693 A CB -0.146 18.790 19.000 -0.107 0.000 0.820 693 A HN 0.194 nan 8.150 nan 0.000 0.451 694 E N 0.414 120.674 120.200 0.101 0.000 2.033 694 E HA -0.211 4.139 4.350 -0.001 0.000 0.199 694 E C 1.564 178.245 176.600 0.135 0.000 1.011 694 E CA 1.454 57.914 56.400 0.101 0.000 0.815 694 E CB -0.585 29.152 29.700 0.062 0.000 0.755 694 E HN 0.617 nan 8.360 nan 0.000 0.451 695 N N 0.300 119.072 118.700 0.120 0.000 2.586 695 N HA -0.152 4.587 4.740 -0.001 0.000 0.191 695 N C 1.298 176.809 175.510 0.002 0.000 1.085 695 N CA 0.548 53.623 53.050 0.042 0.000 0.921 695 N CB -0.361 38.106 38.487 -0.033 0.000 0.954 695 N HN 0.132 nan 8.380 nan 0.000 0.448 696 F N 1.225 121.146 119.950 -0.049 0.000 2.780 696 F HA 0.108 4.635 4.527 -0.001 0.000 0.299 696 F C 1.860 177.678 175.800 0.030 0.000 1.146 696 F CA 0.318 58.289 58.000 -0.048 0.000 1.428 696 F CB 0.154 39.097 39.000 -0.095 0.000 1.115 696 F HN -0.033 nan 8.300 nan 0.000 0.583 697 K N 0.146 120.655 120.400 0.181 0.000 2.148 697 K HA -0.160 4.159 4.320 -0.001 0.000 0.204 697 K C 1.075 177.736 176.600 0.102 0.000 1.050 697 K CA 1.084 57.456 56.287 0.142 0.000 0.942 697 K CB -0.363 32.199 32.500 0.104 0.000 0.724 697 K HN 0.416 nan 8.250 nan 0.000 0.446 698 Q N 0.961 120.796 119.800 0.059 0.000 2.253 698 Q HA 0.138 4.478 4.340 -0.001 0.000 0.210 698 Q C -0.506 175.517 176.000 0.038 0.000 0.907 698 Q CA -0.032 55.794 55.803 0.038 0.000 0.948 698 Q CB 0.409 29.153 28.738 0.010 0.000 1.033 698 Q HN -0.055 nan 8.270 nan 0.000 0.471 699 V N 0.260 120.215 119.914 0.069 0.000 3.147 699 V HA 0.150 4.269 4.120 -0.001 0.000 0.299 699 V C -1.064 175.154 176.094 0.206 0.000 1.302 699 V CA -1.001 61.355 62.300 0.093 0.000 1.015 699 V CB 2.803 34.610 31.823 -0.027 0.000 1.086 699 V HN 0.148 nan 8.190 nan 0.000 0.437 700 E N 2.286 122.637 120.200 0.251 0.000 2.167 700 E HA 0.410 4.759 4.350 -0.001 0.000 0.284 700 E C -1.735 175.214 176.600 0.581 0.000 1.016 700 E CA -0.346 56.279 56.400 0.375 0.000 0.817 700 E CB 1.464 31.327 29.700 0.272 0.000 1.080 700 E HN 0.502 nan 8.360 nan 0.000 0.397 701 Y N 3.606 124.150 120.300 0.407 0.000 2.376 701 Y HA 0.420 4.970 4.550 -0.001 0.000 0.340 701 Y C -1.624 174.349 175.900 0.122 0.000 0.965 701 Y CA -1.552 56.727 58.100 0.297 0.000 1.078 701 Y CB 1.026 39.706 38.460 0.366 0.000 1.193 701 Y HN 0.399 nan 8.280 nan 0.000 0.452 702 L N 7.912 128.849 121.223 -0.476 0.000 2.316 702 L HA 0.548 4.888 4.340 -0.001 0.000 0.280 702 L C -2.065 174.364 176.870 -0.734 0.000 1.006 702 L CA -0.719 53.685 54.840 -0.727 0.000 0.836 702 L CB 1.064 42.350 42.059 -1.289 0.000 1.221 702 L HN 0.658 nan 8.230 nan 0.000 0.418 703 L N 6.649 127.488 121.223 -0.639 0.000 2.272 703 L HA 0.635 4.975 4.340 -0.001 0.000 0.289 703 L C -0.922 175.804 176.870 -0.240 0.000 1.032 703 L CA 0.110 54.636 54.840 -0.524 0.000 0.810 703 L CB 0.884 42.628 42.059 -0.524 0.000 1.205 703 L HN 0.562 nan 8.230 nan 0.000 0.422 704 I N 4.632 125.073 120.570 -0.215 0.000 2.465 704 I HA 0.430 4.600 4.170 -0.001 0.000 0.291 704 I C -0.995 175.071 176.117 -0.083 0.000 1.014 704 I CA -0.690 60.539 61.300 -0.117 0.000 1.093 704 I CB 1.811 39.700 38.000 -0.185 0.000 1.267 704 I HN 0.653 nan 8.210 nan 0.000 0.431 705 H N 2.540 121.647 119.070 0.062 0.000 2.974 705 H HA 0.528 5.084 4.556 -0.001 0.000 0.366 705 H C -0.222 175.305 175.328 0.332 0.000 1.155 705 H CA -0.570 55.559 56.048 0.135 0.000 1.186 705 H CB 2.060 31.866 29.762 0.072 0.000 1.799 705 H HN 0.732 nan 8.280 nan 0.000 0.541 706 G N 1.538 110.666 108.800 0.546 0.000 2.403 706 G HA2 0.126 4.086 3.960 -0.001 0.000 0.259 706 G HA3 0.126 4.086 3.960 -0.001 0.000 0.259 706 G C 0.695 175.885 174.900 0.485 0.000 1.244 706 G CA -0.133 45.253 45.100 0.478 0.000 0.849 706 G HN 0.717 nan 8.290 nan 0.000 0.532 707 T N 1.646 116.353 114.554 0.254 0.000 2.904 707 T HA 0.044 4.393 4.350 -0.001 0.000 0.267 707 T C 1.996 176.638 174.700 -0.097 0.000 1.059 707 T CA 1.580 63.670 62.100 -0.018 0.000 1.137 707 T CB -0.000 68.869 68.868 0.002 0.000 0.879 707 T HN 0.637 nan 8.240 nan 0.000 0.467 708 A N 1.111 123.901 122.820 -0.050 0.000 2.827 708 A HA 0.268 4.587 4.320 -0.001 0.000 0.300 708 A C 0.085 177.471 177.584 -0.331 0.000 1.237 708 A CA -0.439 51.377 52.037 -0.368 0.000 0.964 708 A CB -0.005 19.057 19.000 0.104 0.000 1.143 708 A HN 0.184 nan 8.150 nan 0.000 0.554 709 D N 1.587 121.933 120.400 -0.090 0.000 2.359 709 D HA -0.003 4.636 4.640 -0.001 0.000 0.250 709 D C 0.245 176.570 176.300 0.042 0.000 1.264 709 D CA 0.116 54.203 54.000 0.145 0.000 0.911 709 D CB 0.688 41.752 40.800 0.440 0.000 1.056 709 D HN 0.577 nan 8.370 nan 0.000 0.499 710 D N 2.467 122.901 120.400 0.058 0.000 2.347 710 D HA -0.147 4.493 4.640 -0.001 0.000 0.213 710 D C 1.031 177.318 176.300 -0.023 0.000 0.985 710 D CA -0.052 53.967 54.000 0.031 0.000 0.879 710 D CB 0.368 41.130 40.800 -0.063 0.000 0.919 710 D HN 0.241 nan 8.370 nan 0.000 0.526 711 N N 0.940 119.709 118.700 0.116 0.000 2.240 711 N HA -0.065 4.674 4.740 -0.001 0.000 0.187 711 N C -0.027 175.448 175.510 -0.058 0.000 1.042 711 N CA 0.623 53.763 53.050 0.150 0.000 0.861 711 N CB 0.375 38.844 38.487 -0.031 0.000 1.026 711 N HN -0.074 nan 8.380 nan 0.000 0.441 712 V N 3.070 122.972 119.914 -0.020 0.000 2.311 712 V HA 0.180 4.300 4.120 -0.001 0.000 0.275 712 V C 0.320 176.516 176.094 0.170 0.000 1.022 712 V CA -0.607 61.749 62.300 0.093 0.000 0.830 712 V CB 0.795 32.750 31.823 0.219 0.000 1.012 712 V HN 0.355 nan 8.190 nan 0.000 0.452 713 H N 4.446 123.550 119.070 0.058 0.000 2.568 713 H HA -0.112 4.443 4.556 -0.001 0.000 0.285 713 H C 1.439 176.721 175.328 -0.077 0.000 1.048 713 H CA 0.962 56.971 56.048 -0.064 0.000 1.197 713 H CB -0.444 29.190 29.762 -0.213 0.000 1.343 713 H HN 0.820 nan 8.280 nan 0.000 0.614 714 F N 0.296 119.984 119.950 -0.437 0.000 2.563 714 F HA -0.498 4.029 4.527 -0.001 0.000 0.667 714 F C 2.158 177.705 175.800 -0.423 0.000 0.490 714 F CA 2.226 59.691 58.000 -0.892 0.000 0.776 714 F CB -0.911 37.804 39.000 -0.476 0.000 1.646 714 F HN 0.328 nan 8.300 nan 0.000 0.262 715 Q N 0.685 120.408 119.800 -0.128 0.000 2.156 715 Q HA -0.316 4.024 4.340 -0.001 0.000 0.211 715 Q C 1.845 177.652 176.000 -0.321 0.000 0.995 715 Q CA 2.446 58.120 55.803 -0.215 0.000 0.877 715 Q CB -0.326 28.242 28.738 -0.284 0.000 0.920 715 Q HN 0.827 nan 8.270 nan 0.000 0.416 716 Q N -0.250 119.414 119.800 -0.226 0.000 2.030 716 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 716 Q C 2.296 178.218 176.000 -0.130 0.000 0.986 716 Q CA 1.862 57.645 55.803 -0.034 0.000 0.843 716 Q CB -0.216 28.569 28.738 0.078 0.000 0.904 716 Q HN 0.339 nan 8.270 nan 0.000 0.420 717 S N 0.932 116.453 115.700 -0.299 0.000 2.387 717 S HA -0.046 4.424 4.470 -0.001 0.000 0.226 717 S C 2.108 176.470 174.600 -0.397 0.000 1.026 717 S CA 0.815 58.831 58.200 -0.308 0.000 0.972 717 S CB -0.216 62.808 63.200 -0.293 0.000 0.814 717 S HN 0.488 nan 8.310 nan 0.000 0.477 718 A N 1.027 123.490 122.820 -0.595 0.000 1.978 718 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 718 A C 2.103 179.584 177.584 -0.170 0.000 1.170 718 A CA 1.667 53.489 52.037 -0.358 0.000 0.636 718 A CB -0.568 18.282 19.000 -0.251 0.000 0.810 718 A HN 0.377 nan 8.150 nan 0.000 0.448 719 Q N -0.255 119.454 119.800 -0.151 0.000 2.123 719 Q HA 0.062 4.401 4.340 -0.001 0.000 0.199 719 Q C 1.800 177.759 176.000 -0.069 0.000 0.966 719 Q CA 1.269 57.042 55.803 -0.050 0.000 0.845 719 Q CB -0.348 28.436 28.738 0.078 0.000 0.907 719 Q HN 0.721 nan 8.270 nan 0.000 0.439 720 I N -0.110 120.387 120.570 -0.122 0.000 2.163 720 I HA -0.284 3.886 4.170 -0.001 0.000 0.240 720 I C 2.221 178.181 176.117 -0.262 0.000 1.081 720 I CA 1.370 62.553 61.300 -0.194 0.000 1.353 720 I CB -0.468 37.413 38.000 -0.198 0.000 1.054 720 I HN 0.250 nan 8.210 nan 0.000 0.407 721 S N 0.755 116.312 115.700 -0.239 0.000 2.370 721 S HA -0.286 4.183 4.470 -0.001 0.000 0.226 721 S C 2.049 176.649 174.600 0.001 0.000 1.033 721 S CA 1.411 59.507 58.200 -0.173 0.000 1.011 721 S CB -0.487 62.749 63.200 0.060 0.000 0.852 721 S HN 0.365 nan 8.310 nan 0.000 0.457 722 K N 1.515 121.906 120.400 -0.015 0.000 2.057 722 K HA -0.001 4.319 4.320 -0.001 0.000 0.207 722 K C 2.367 178.965 176.600 -0.002 0.000 1.049 722 K CA 1.111 57.407 56.287 0.015 0.000 0.931 722 K CB -0.608 31.892 32.500 0.000 0.000 0.714 722 K HN 0.477 nan 8.250 nan 0.000 0.440 723 A N 1.158 123.945 122.820 -0.056 0.000 1.902 723 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 723 A C 2.072 179.613 177.584 -0.071 0.000 1.181 723 A CA 1.246 53.241 52.037 -0.070 0.000 0.623 723 A CB -0.550 18.380 19.000 -0.117 0.000 0.818 723 A HN 0.292 nan 8.150 nan 0.000 0.443 724 L N -0.624 120.529 121.223 -0.118 0.000 2.093 724 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 724 L C 2.472 179.419 176.870 0.129 0.000 1.085 724 L CA 0.813 55.623 54.840 -0.051 0.000 0.755 724 L CB -0.488 41.456 42.059 -0.192 0.000 0.904 724 L HN 0.236 nan 8.230 nan 0.000 0.435 725 V N -0.302 119.715 119.914 0.172 0.000 2.427 725 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 725 V C 2.001 178.145 176.094 0.084 0.000 1.051 725 V CA 1.750 64.144 62.300 0.156 0.000 1.048 725 V CB -0.478 31.429 31.823 0.140 0.000 0.666 725 V HN 0.432 nan 8.190 nan 0.000 0.456 726 D N 0.555 120.988 120.400 0.055 0.000 2.219 726 D HA -0.045 4.594 4.640 -0.001 0.000 0.205 726 D C 2.001 178.324 176.300 0.038 0.000 0.970 726 D CA 1.448 55.470 54.000 0.037 0.000 0.851 726 D CB -0.091 40.723 40.800 0.022 0.000 0.943 726 D HN 0.475 nan 8.370 nan 0.000 0.488 727 A N -0.015 122.829 122.820 0.041 0.000 2.238 727 A HA 0.380 4.699 4.320 -0.001 0.000 0.208 727 A C 1.677 179.300 177.584 0.065 0.000 1.177 727 A CA 0.869 52.933 52.037 0.045 0.000 0.804 727 A CB -0.302 18.720 19.000 0.036 0.000 0.823 727 A HN 0.205 nan 8.150 nan 0.000 0.482 728 G N -0.888 107.957 108.800 0.074 0.000 2.249 728 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.273 728 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.273 728 G C 0.015 174.978 174.900 0.105 0.000 1.036 728 G CA 0.330 45.477 45.100 0.078 0.000 0.824 728 G HN 0.819 nan 8.290 nan 0.000 0.504 729 V N 0.660 120.664 119.914 0.150 0.000 2.350 729 V HA 0.407 4.527 4.120 -0.001 0.000 0.276 729 V C 0.492 176.759 176.094 0.288 0.000 1.028 729 V CA -0.606 61.819 62.300 0.209 0.000 0.860 729 V CB 1.556 33.517 31.823 0.229 0.000 0.990 729 V HN 0.430 nan 8.190 nan 0.000 0.453 730 D N 4.222 124.743 120.400 0.201 0.000 2.362 730 D HA 0.554 5.194 4.640 -0.001 0.000 0.242 730 D C -0.459 176.005 176.300 0.272 0.000 1.132 730 D CA 0.314 54.384 54.000 0.116 0.000 0.907 730 D CB 0.724 41.556 40.800 0.052 0.000 1.195 730 D HN 0.385 nan 8.370 nan 0.000 0.429 731 F N -1.147 118.881 119.950 0.130 0.000 2.926 731 F HA 0.416 4.943 4.527 -0.001 0.000 0.321 731 F C -1.630 174.224 175.800 0.090 0.000 1.168 731 F CA -1.100 56.998 58.000 0.163 0.000 0.890 731 F CB 0.772 39.906 39.000 0.223 0.000 1.357 731 F HN 0.206 nan 8.300 nan 0.000 0.468 732 Q N 1.233 121.192 119.800 0.264 0.000 2.312 732 Q HA 0.825 5.164 4.340 -0.001 0.000 0.263 732 Q C -0.991 175.104 176.000 0.159 0.000 0.995 732 Q CA -1.165 54.694 55.803 0.093 0.000 0.853 732 Q CB 2.366 31.169 28.738 0.108 0.000 1.300 732 Q HN 0.957 nan 8.270 nan 0.000 0.448 733 A N 2.150 125.019 122.820 0.081 0.000 2.435 733 A HA 0.926 5.246 4.320 -0.001 0.000 0.296 733 A C -1.286 176.275 177.584 -0.038 0.000 1.147 733 A CA -0.627 51.467 52.037 0.096 0.000 0.775 733 A CB 1.875 21.026 19.000 0.252 0.000 1.340 733 A HN 0.666 nan 8.150 nan 0.000 0.427 734 M N 0.796 120.359 119.600 -0.062 0.000 2.331 734 M HA 0.498 4.978 4.480 -0.001 0.000 0.249 734 M C -2.096 174.129 176.300 -0.124 0.000 1.010 734 M CA -0.321 54.813 55.300 -0.276 0.000 0.939 734 M CB 0.969 33.330 32.600 -0.398 0.000 2.126 734 M HN 0.959 nan 8.290 nan 0.000 0.472 735 W N 4.261 125.448 121.300 -0.188 0.000 2.516 735 W HA 0.798 5.457 4.660 -0.001 0.000 0.343 735 W C -2.000 174.311 176.519 -0.347 0.000 1.094 735 W CA -0.901 56.410 57.345 -0.057 0.000 1.250 735 W CB 0.427 29.903 29.460 0.027 0.000 1.308 735 W HN 0.617 nan 8.180 nan 0.000 0.588 736 Y N 2.179 122.628 120.300 0.248 0.000 2.447 736 Y HA 0.288 4.838 4.550 -0.001 0.000 0.325 736 Y C 0.461 176.476 175.900 0.191 0.000 0.976 736 Y CA -1.022 57.133 58.100 0.092 0.000 1.280 736 Y CB 1.470 39.940 38.460 0.017 0.000 1.104 736 Y HN 0.427 nan 8.280 nan 0.000 0.486 737 T N 4.702 119.416 114.554 0.267 0.000 2.822 737 T HA -0.053 4.297 4.350 -0.001 0.000 0.288 737 T C 0.189 174.951 174.700 0.103 0.000 0.991 737 T CA 0.763 62.955 62.100 0.153 0.000 1.176 737 T CB -0.199 68.697 68.868 0.047 0.000 0.951 737 T HN 0.703 nan 8.240 nan 0.000 0.526 738 D N 0.928 121.372 120.400 0.073 0.000 3.077 738 D HA -0.124 4.516 4.640 -0.001 0.000 0.217 738 D C 0.343 176.743 176.300 0.166 0.000 1.162 738 D CA 1.109 55.102 54.000 -0.012 0.000 0.943 738 D CB -0.359 40.239 40.800 -0.336 0.000 1.122 738 D HN 0.543 nan 8.370 nan 0.000 0.413 739 E N 0.625 120.946 120.200 0.201 0.000 2.319 739 E HA 0.207 4.557 4.350 -0.001 0.000 0.268 739 E C 0.749 177.491 176.600 0.236 0.000 1.050 739 E CA -0.316 56.218 56.400 0.224 0.000 0.878 739 E CB 0.978 30.813 29.700 0.225 0.000 1.066 739 E HN 0.086 nan 8.360 nan 0.000 0.406 740 D N -0.046 120.501 120.400 0.245 0.000 2.289 740 D HA -0.064 4.576 4.640 -0.001 0.000 0.266 740 D C 1.060 177.551 176.300 0.320 0.000 1.243 740 D CA 0.099 54.267 54.000 0.279 0.000 1.019 740 D CB 0.394 41.356 40.800 0.271 0.000 1.126 740 D HN 0.473 nan 8.370 nan 0.000 0.541 741 H N -1.298 117.926 119.070 0.257 0.000 2.512 741 H HA 0.154 4.710 4.556 -0.001 0.000 0.279 741 H C 1.542 177.101 175.328 0.385 0.000 0.999 741 H CA 1.744 57.968 56.048 0.294 0.000 1.283 741 H CB -0.045 29.887 29.762 0.282 0.000 1.421 741 H HN 0.316 nan 8.280 nan 0.000 0.554 742 G N -0.177 108.764 108.800 0.234 0.000 2.939 742 G HA2 0.077 4.037 3.960 -0.001 0.000 0.210 742 G HA3 0.077 4.037 3.960 -0.001 0.000 0.210 742 G C 0.580 175.640 174.900 0.266 0.000 1.160 742 G CA 0.204 45.374 45.100 0.118 0.000 0.770 742 G HN 0.496 nan 8.290 nan 0.000 0.543 743 I N -0.031 120.692 120.570 0.254 0.000 6.272 743 I HA -0.326 3.844 4.170 -0.001 0.000 0.126 743 I C 1.512 177.718 176.117 0.147 0.000 1.619 743 I CA 0.199 61.593 61.300 0.157 0.000 2.452 743 I CB -1.176 36.860 38.000 0.061 0.000 3.064 743 I HN 0.259 nan 8.210 nan 0.000 0.279 744 A N 0.933 123.823 122.820 0.116 0.000 2.423 744 A HA 0.347 4.667 4.320 -0.001 0.000 0.246 744 A C 1.130 178.745 177.584 0.051 0.000 1.278 744 A CA 0.492 52.563 52.037 0.057 0.000 0.903 744 A CB 0.047 19.035 19.000 -0.019 0.000 0.997 744 A HN 0.619 nan 8.150 nan 0.000 0.510 745 S N -0.766 114.987 115.700 0.088 0.000 2.579 745 S HA 0.213 4.682 4.470 -0.001 0.000 0.275 745 S C 1.256 175.912 174.600 0.093 0.000 1.345 745 S CA 0.350 58.600 58.200 0.084 0.000 1.031 745 S CB 1.162 64.423 63.200 0.103 0.000 0.892 745 S HN 0.443 nan 8.310 nan 0.000 0.529 746 S N 1.842 117.586 115.700 0.073 0.000 2.365 746 S HA -0.199 4.271 4.470 -0.001 0.000 0.221 746 S C 2.210 176.878 174.600 0.113 0.000 1.037 746 S CA 2.538 60.789 58.200 0.085 0.000 1.060 746 S CB -1.712 61.518 63.200 0.050 0.000 0.974 746 S HN 1.081 nan 8.310 nan 0.000 0.427 747 T N 0.302 114.911 114.554 0.092 0.000 2.720 747 T HA 0.010 4.359 4.350 -0.001 0.000 0.268 747 T C 1.954 176.728 174.700 0.123 0.000 1.037 747 T CA 1.685 63.845 62.100 0.099 0.000 1.144 747 T CB -1.108 67.812 68.868 0.086 0.000 0.864 747 T HN 0.507 nan 8.240 nan 0.000 0.444 748 A N 1.705 124.587 122.820 0.103 0.000 1.883 748 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 748 A C 2.235 179.813 177.584 -0.010 0.000 1.186 748 A CA 2.280 54.340 52.037 0.038 0.000 0.624 748 A CB -1.398 17.598 19.000 -0.006 0.000 0.822 748 A HN 0.775 nan 8.150 nan 0.000 0.444 749 H N 0.067 119.131 119.070 -0.010 0.000 2.289 749 H HA -0.180 4.375 4.556 -0.001 0.000 0.296 749 H C 2.127 177.518 175.328 0.104 0.000 1.091 749 H CA 2.457 58.534 56.048 0.048 0.000 1.274 749 H CB -0.292 29.503 29.762 0.055 0.000 1.364 749 H HN 0.628 nan 8.280 nan 0.000 0.490 750 Q N -1.069 118.685 119.800 -0.076 0.000 2.079 750 Q HA -0.186 4.154 4.340 -0.001 0.000 0.200 750 Q C 2.277 178.242 176.000 -0.058 0.000 0.974 750 Q CA 1.288 57.016 55.803 -0.125 0.000 0.840 750 Q CB -0.294 28.424 28.738 -0.034 0.000 0.898 750 Q HN 0.627 nan 8.270 nan 0.000 0.430 751 H N 1.060 120.099 119.070 -0.052 0.000 2.353 751 H HA -0.085 4.471 4.556 -0.001 0.000 0.300 751 H C 1.961 177.278 175.328 -0.019 0.000 1.090 751 H CA 1.377 57.432 56.048 0.011 0.000 1.327 751 H CB -0.059 29.776 29.762 0.123 0.000 1.383 751 H HN 0.282 nan 8.280 nan 0.000 0.508 752 I N -0.124 120.440 120.570 -0.011 0.000 2.394 752 I HA -0.280 3.889 4.170 -0.001 0.000 0.251 752 I C 1.630 177.504 176.117 -0.405 0.000 1.136 752 I CA 1.036 62.205 61.300 -0.218 0.000 1.425 752 I CB -0.219 37.424 38.000 -0.595 0.000 1.079 752 I HN 0.147 nan 8.210 nan 0.000 0.425 753 Y N 0.185 120.267 120.300 -0.363 0.000 2.365 753 Y HA -0.117 4.433 4.550 -0.001 0.000 0.293 753 Y C 2.769 178.397 175.900 -0.454 0.000 1.119 753 Y CA 1.277 59.025 58.100 -0.587 0.000 1.203 753 Y CB 0.011 38.110 38.460 -0.601 0.000 1.026 753 Y HN 0.131 nan 8.280 nan 0.000 0.549 754 S N -1.156 114.414 115.700 -0.216 0.000 2.368 754 S HA -0.235 4.234 4.470 -0.001 0.000 0.224 754 S C 1.646 175.952 174.600 -0.490 0.000 1.029 754 S CA 1.474 59.458 58.200 -0.361 0.000 0.988 754 S CB -0.470 62.550 63.200 -0.300 0.000 0.838 754 S HN 0.534 nan 8.310 nan 0.000 0.462 755 H N 1.331 120.197 119.070 -0.339 0.000 2.353 755 H HA 0.103 4.658 4.556 -0.001 0.000 0.300 755 H C 1.999 177.268 175.328 -0.097 0.000 1.090 755 H CA 1.665 57.609 56.048 -0.172 0.000 1.327 755 H CB -0.164 29.557 29.762 -0.068 0.000 1.383 755 H HN 0.292 nan 8.280 nan 0.000 0.508 756 M N -0.952 118.582 119.600 -0.110 0.000 2.200 756 M HA -0.131 4.348 4.480 -0.001 0.000 0.265 756 M C 2.418 178.820 176.300 0.170 0.000 1.066 756 M CA 1.287 56.542 55.300 -0.074 0.000 1.127 756 M CB 0.123 32.460 32.600 -0.439 0.000 1.379 756 M HN 0.185 nan 8.290 nan 0.000 0.420 757 S N -0.448 115.350 115.700 0.163 0.000 2.348 757 S HA -0.159 4.311 4.470 -0.001 0.000 0.221 757 S C 1.712 176.432 174.600 0.200 0.000 1.033 757 S CA 1.165 59.574 58.200 0.347 0.000 1.010 757 S CB -0.608 62.759 63.200 0.278 0.000 0.891 757 S HN 0.467 nan 8.310 nan 0.000 0.442 758 H N 0.013 119.144 119.070 0.101 0.000 2.422 758 H HA -0.024 4.532 4.556 -0.001 0.000 0.298 758 H C 1.891 177.217 175.328 -0.004 0.000 1.098 758 H CA 1.021 57.079 56.048 0.017 0.000 1.315 758 H CB -0.789 28.935 29.762 -0.064 0.000 1.382 758 H HN 0.440 nan 8.280 nan 0.000 0.523 759 F N 1.210 121.141 119.950 -0.032 0.000 2.134 759 F HA -0.141 4.386 4.527 -0.001 0.000 0.299 759 F C 2.277 178.038 175.800 -0.065 0.000 1.097 759 F CA 0.942 58.899 58.000 -0.071 0.000 1.264 759 F CB -0.485 38.462 39.000 -0.089 0.000 1.001 759 F HN -0.004 nan 8.300 nan 0.000 0.479 760 L N -0.217 120.987 121.223 -0.032 0.000 2.027 760 L HA -0.233 4.107 4.340 -0.001 0.000 0.206 760 L C 2.532 179.258 176.870 -0.240 0.000 1.074 760 L CA 1.472 56.144 54.840 -0.280 0.000 0.745 760 L CB -0.850 41.140 42.059 -0.115 0.000 0.898 760 L HN 0.201 nan 8.230 nan 0.000 0.433 761 Q N -0.359 119.430 119.800 -0.018 0.000 2.077 761 Q HA -0.295 4.045 4.340 -0.001 0.000 0.206 761 Q C 2.245 178.231 176.000 -0.023 0.000 0.989 761 Q CA 1.809 57.641 55.803 0.049 0.000 0.853 761 Q CB -0.220 28.590 28.738 0.120 0.000 0.907 761 Q HN 0.561 nan 8.270 nan 0.000 0.418 762 Q N -0.215 119.526 119.800 -0.097 0.000 2.050 762 Q HA -0.199 4.141 4.340 -0.001 0.000 0.202 762 Q C 2.443 178.330 176.000 -0.188 0.000 0.980 762 Q CA 1.445 57.168 55.803 -0.134 0.000 0.840 762 Q CB -0.388 28.250 28.738 -0.165 0.000 0.898 762 Q HN 0.467 nan 8.270 nan 0.000 0.424 763 c N -0.029 118.344 118.600 -0.378 0.000 2.425 763 c HA -0.088 4.482 4.570 -0.001 0.000 0.277 763 c C 1.965 176.013 174.090 -0.070 0.000 1.280 763 c CA 0.392 56.501 56.329 -0.366 0.000 1.744 763 c CB -0.943 41.160 42.510 -0.677 0.000 1.989 763 c HN 0.487 nan 8.230 nan 0.000 0.491 764 F N 1.205 121.104 119.950 -0.085 0.000 2.693 764 F HA 0.117 4.644 4.527 -0.001 0.000 0.303 764 F C 1.562 177.340 175.800 -0.036 0.000 1.143 764 F CA 0.131 58.106 58.000 -0.041 0.000 1.389 764 F CB -0.108 38.879 39.000 -0.023 0.000 1.060 764 F HN 0.252 nan 8.300 nan 0.000 0.535 765 S N 0.089 115.865 115.700 0.127 0.000 3.358 765 S HA -0.237 4.232 4.470 -0.001 0.000 0.309 765 S C 0.870 175.505 174.600 0.060 0.000 1.247 765 S CA 0.543 58.781 58.200 0.063 0.000 0.961 765 S CB -1.990 61.239 63.200 0.049 0.000 1.074 765 S HN 0.376 nan 8.310 nan 0.000 0.625 766 L N 0.413 121.690 121.223 0.091 0.000 2.606 766 L HA 0.350 4.690 4.340 -0.001 0.000 0.148 766 L C 1.512 178.413 176.870 0.051 0.000 1.534 766 L CA -0.154 54.730 54.840 0.074 0.000 2.847 766 L CB -0.348 41.776 42.059 0.108 0.000 2.929 766 L HN 0.535 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 -0.001 0.000 0.208 767 R CA 0.000 56.128 56.100 0.047 0.000 0.921 767 R CB 0.000 30.323 30.300 0.038 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535