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 2gbi_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 0.000 176.351 176.300 0.086 0.000 0.893 38 R CA 0.000 56.150 56.100 0.083 0.000 0.921 38 R CB 0.000 30.345 30.300 0.075 0.000 0.687 39 R N 0.310 120.866 120.500 0.092 0.000 2.410 39 R HA 0.893 5.232 4.340 -0.001 0.000 0.288 39 R C 0.807 177.176 176.300 0.115 0.000 1.051 39 R CA 0.545 56.711 56.100 0.110 0.000 1.021 39 R CB -0.000 30.382 30.300 0.137 0.000 1.032 39 R HN 1.306 nan 8.270 nan 0.000 0.481 40 T N -0.515 114.112 114.554 0.122 0.000 2.849 40 T HA 0.486 4.835 4.350 -0.001 0.000 0.276 40 T C -0.272 174.560 174.700 0.220 0.000 0.971 40 T CA -0.289 61.888 62.100 0.128 0.000 0.949 40 T CB 0.352 69.277 68.868 0.095 0.000 1.093 40 T HN 0.727 nan 8.240 nan 0.000 0.545 41 Y N 1.942 122.296 120.300 0.089 0.000 2.595 41 Y HA 0.502 5.051 4.550 -0.001 0.000 0.347 41 Y C 1.028 177.094 175.900 0.275 0.000 1.025 41 Y CA -0.768 57.435 58.100 0.172 0.000 1.295 41 Y CB -0.567 37.952 38.460 0.098 0.000 1.147 41 Y HN 0.950 nan 8.280 nan 0.000 0.515 42 T N 3.061 117.656 114.554 0.069 0.000 2.855 42 T HA 0.333 4.682 4.350 -0.001 0.000 0.314 42 T C 1.594 176.286 174.700 -0.013 0.000 1.077 42 T CA 0.253 62.425 62.100 0.120 0.000 1.095 42 T CB 0.279 69.183 68.868 0.060 0.000 0.987 42 T HN 0.947 nan 8.240 nan 0.000 0.546 43 L N 0.902 122.051 121.223 -0.124 0.000 2.141 43 L HA 0.364 4.704 4.340 -0.001 0.000 0.209 43 L C 3.188 179.941 176.870 -0.196 0.000 1.094 43 L CA 2.564 57.088 54.840 -0.526 0.000 0.763 43 L CB -2.023 39.451 42.059 -0.976 0.000 0.908 43 L HN 1.136 nan 8.230 nan 0.000 0.437 44 A N -0.602 122.132 122.820 -0.144 0.000 1.877 44 A HA -0.256 4.064 4.320 -0.001 0.000 0.216 44 A C 2.153 179.664 177.584 -0.121 0.000 1.186 44 A CA 1.482 53.456 52.037 -0.106 0.000 0.620 44 A CB -0.837 18.122 19.000 -0.069 0.000 0.822 44 A HN 0.629 nan 8.150 nan 0.000 0.443 45 D N -1.481 118.818 120.400 -0.169 0.000 2.133 45 D HA -0.216 4.424 4.640 -0.001 0.000 0.192 45 D C 1.673 177.910 176.300 -0.106 0.000 1.001 45 D CA 1.974 55.855 54.000 -0.199 0.000 0.844 45 D CB -0.432 40.157 40.800 -0.353 0.000 0.944 45 D HN 0.623 nan 8.370 nan 0.000 0.447 46 Y N 1.394 121.518 120.300 -0.293 0.000 2.109 46 Y HA -0.123 4.427 4.550 -0.001 0.000 0.285 46 Y C 2.351 178.239 175.900 -0.020 0.000 1.131 46 Y CA 1.258 59.328 58.100 -0.050 0.000 1.121 46 Y CB -0.693 37.752 38.460 -0.024 0.000 0.987 46 Y HN -0.106 nan 8.280 nan 0.000 0.495 47 L N 0.144 121.210 121.223 -0.263 0.000 2.042 47 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 47 L C 2.049 178.803 176.870 -0.194 0.000 1.076 47 L CA 1.544 56.188 54.840 -0.327 0.000 0.749 47 L CB -0.513 41.437 42.059 -0.182 0.000 0.893 47 L HN 0.116 nan 8.230 nan 0.000 0.432 48 K N 0.028 120.348 120.400 -0.132 0.000 2.444 48 K HA 0.021 4.341 4.320 -0.001 0.000 0.193 48 K C 0.160 176.710 176.600 -0.083 0.000 1.024 48 K CA -0.103 56.128 56.287 -0.093 0.000 1.077 48 K CB -0.525 31.926 32.500 -0.083 0.000 0.833 48 K HN 0.195 nan 8.250 nan 0.000 0.517 49 N N 1.360 120.011 118.700 -0.082 0.000 2.642 49 N HA -0.177 4.563 4.740 -0.001 0.000 0.269 49 N C 0.157 175.653 175.510 -0.025 0.000 1.073 49 N CA 0.859 53.900 53.050 -0.013 0.000 0.748 49 N CB -0.989 37.487 38.487 -0.018 0.000 0.894 49 N HN 0.073 nan 8.380 nan 0.000 0.548 50 T N 0.312 114.813 114.554 -0.089 0.000 2.809 50 T HA 0.015 4.364 4.350 -0.001 0.000 0.260 50 T C 0.453 174.969 174.700 -0.307 0.000 1.039 50 T CA 1.030 62.959 62.100 -0.285 0.000 1.141 50 T CB -0.128 68.411 68.868 -0.547 0.000 0.869 50 T HN 0.388 nan 8.240 nan 0.000 0.437 51 F N 2.567 122.624 119.950 0.178 0.000 2.377 51 F HA 0.379 4.906 4.527 -0.001 0.000 0.360 51 F C 0.766 176.667 175.800 0.168 0.000 1.147 51 F CA -0.935 57.175 58.000 0.184 0.000 1.170 51 F CB 0.165 39.313 39.000 0.246 0.000 1.339 51 F HN -0.199 nan 8.300 nan 0.000 0.552 52 R N 2.334 122.976 120.500 0.236 0.000 2.442 52 R HA 0.387 4.726 4.340 -0.001 0.000 0.291 52 R C -0.971 175.454 176.300 0.209 0.000 1.069 52 R CA -0.258 55.953 56.100 0.185 0.000 1.022 52 R CB 0.830 31.201 30.300 0.119 0.000 0.976 52 R HN 0.405 nan 8.270 nan 0.000 0.443 53 V N 5.970 126.010 119.914 0.210 0.000 2.350 53 V HA 0.218 4.338 4.120 -0.001 0.000 0.276 53 V C 0.256 176.464 176.094 0.190 0.000 1.028 53 V CA -0.471 61.963 62.300 0.225 0.000 0.860 53 V CB 1.327 33.319 31.823 0.281 0.000 0.990 53 V HN 0.765 nan 8.190 nan 0.000 0.453 54 K N 2.629 123.138 120.400 0.181 0.000 2.127 54 K HA 0.754 5.073 4.320 -0.001 0.000 0.240 54 K C 0.148 176.872 176.600 0.206 0.000 1.024 54 K CA -0.299 56.087 56.287 0.165 0.000 0.918 54 K CB 1.452 34.041 32.500 0.149 0.000 1.108 54 K HN 0.875 nan 8.250 nan 0.000 0.485 55 S N -0.550 115.192 115.700 0.069 0.000 2.643 55 S HA 0.331 4.801 4.470 -0.001 0.000 0.270 55 S C -1.899 172.497 174.600 -0.340 0.000 1.166 55 S CA -0.907 57.113 58.200 -0.300 0.000 0.815 55 S CB 0.751 63.823 63.200 -0.214 0.000 1.139 55 S HN 0.562 nan 8.310 nan 0.000 0.472 56 Y N 1.164 120.882 120.300 -0.969 0.000 2.488 56 Y HA 0.604 5.154 4.550 -0.001 0.000 0.330 56 Y C -0.684 174.995 175.900 -0.367 0.000 1.013 56 Y CA -0.451 57.360 58.100 -0.482 0.000 1.304 56 Y CB 1.564 39.719 38.460 -0.508 0.000 1.098 56 Y HN 0.774 nan 8.280 nan 0.000 0.498 57 S N 6.720 122.281 115.700 -0.232 0.000 2.423 57 S HA 0.497 4.966 4.470 -0.001 0.000 0.317 57 S C -0.733 173.731 174.600 -0.226 0.000 1.065 57 S CA -0.647 57.443 58.200 -0.182 0.000 1.111 57 S CB -0.214 62.931 63.200 -0.092 0.000 0.968 57 S HN 0.526 nan 8.310 nan 0.000 0.474 58 L N 1.615 122.636 121.223 -0.336 0.000 2.335 58 L HA 0.754 5.094 4.340 -0.001 0.000 0.268 58 L C -0.016 176.700 176.870 -0.257 0.000 1.016 58 L CA -1.040 53.557 54.840 -0.404 0.000 0.805 58 L CB 0.081 41.575 42.059 -0.942 0.000 1.311 58 L HN 0.367 nan 8.230 nan 0.000 0.456 59 R N -0.022 120.383 120.500 -0.158 0.000 2.467 59 R HA 0.313 4.653 4.340 -0.001 0.000 0.299 59 R C -1.655 174.690 176.300 0.076 0.000 1.120 59 R CA -0.240 55.849 56.100 -0.018 0.000 0.940 59 R CB 0.956 31.290 30.300 0.057 0.000 1.161 59 R HN 0.659 nan 8.270 nan 0.000 0.506 60 W N 2.656 124.025 121.300 0.115 0.000 2.322 60 W HA -0.011 4.649 4.660 -0.001 0.000 0.328 60 W C 1.098 177.678 176.519 0.102 0.000 1.395 60 W CA -0.371 57.057 57.345 0.139 0.000 1.267 60 W CB 0.675 30.203 29.460 0.114 0.000 1.259 60 W HN 0.370 nan 8.180 nan 0.000 0.560 61 V N 2.502 122.644 119.914 0.381 0.000 3.263 61 V HA -0.003 4.117 4.120 -0.001 0.000 0.248 61 V C 0.840 177.031 176.094 0.161 0.000 1.145 61 V CA 1.233 63.645 62.300 0.187 0.000 1.107 61 V CB 0.018 31.881 31.823 0.066 0.000 0.797 61 V HN 0.593 nan 8.190 nan 0.000 0.467 62 S N -1.446 114.375 115.700 0.202 0.000 2.880 62 S HA 0.321 4.790 4.470 -0.001 0.000 0.308 62 S C 0.159 174.800 174.600 0.068 0.000 1.195 62 S CA 0.075 58.343 58.200 0.114 0.000 0.866 62 S CB 1.410 64.661 63.200 0.085 0.000 1.254 62 S HN 0.040 nan 8.310 nan 0.000 0.571 63 D N 0.330 120.741 120.400 0.018 0.000 2.363 63 D HA 0.171 4.811 4.640 -0.001 0.000 0.226 63 D C 1.081 177.373 176.300 -0.013 0.000 1.020 63 D CA 1.136 55.106 54.000 -0.050 0.000 0.892 63 D CB -0.008 40.791 40.800 -0.001 0.000 0.900 63 D HN 0.531 nan 8.370 nan 0.000 0.531 64 S N -2.112 113.613 115.700 0.042 0.000 2.904 64 S HA 0.294 4.764 4.470 -0.001 0.000 0.260 64 S C 0.214 174.860 174.600 0.075 0.000 1.000 64 S CA -0.734 57.473 58.200 0.011 0.000 1.274 64 S CB 0.698 63.938 63.200 0.067 0.000 1.196 64 S HN 0.048 nan 8.310 nan 0.000 0.678 65 E N 0.551 120.896 120.200 0.241 0.000 2.383 65 E HA 0.643 4.992 4.350 -0.001 0.000 0.275 65 E C -1.709 175.130 176.600 0.398 0.000 0.918 65 E CA -1.021 55.496 56.400 0.196 0.000 0.764 65 E CB 2.227 31.960 29.700 0.055 0.000 1.252 65 E HN 0.425 nan 8.360 nan 0.000 0.449 66 Y N -0.669 119.731 120.300 0.168 0.000 2.644 66 Y HA 0.683 5.233 4.550 -0.000 0.000 0.338 66 Y C -1.775 174.139 175.900 0.023 0.000 1.119 66 Y CA -1.326 56.784 58.100 0.016 0.000 1.060 66 Y CB 0.860 39.053 38.460 -0.446 0.000 1.294 66 Y HN 0.361 nan 8.280 nan 0.000 0.472 67 L N 2.394 123.786 121.223 0.283 0.000 2.331 67 L HA 0.551 4.891 4.340 -0.001 0.000 0.275 67 L C -1.436 175.638 176.870 0.339 0.000 1.022 67 L CA -1.026 53.955 54.840 0.235 0.000 0.812 67 L CB 1.872 44.005 42.059 0.124 0.000 1.257 67 L HN 0.784 nan 8.230 nan 0.000 0.435 68 Y N 2.266 122.667 120.300 0.169 0.000 2.479 68 Y HA 0.303 4.853 4.550 -0.001 0.000 0.338 68 Y C -0.739 175.186 175.900 0.042 0.000 1.055 68 Y CA -1.264 56.828 58.100 -0.014 0.000 1.023 68 Y CB 1.670 39.983 38.460 -0.246 0.000 1.287 68 Y HN 0.438 nan 8.280 nan 0.000 0.447 69 K N 5.159 125.125 120.400 -0.723 0.000 2.285 69 K HA 0.272 4.592 4.320 -0.001 0.000 0.286 69 K C -1.030 175.076 176.600 -0.824 0.000 1.072 69 K CA -0.294 55.650 56.287 -0.573 0.000 0.913 69 K CB 0.571 32.863 32.500 -0.347 0.000 1.067 69 K HN 0.829 nan 8.250 nan 0.000 0.479 70 Q N 4.439 124.017 119.800 -0.370 0.000 2.320 70 Q HA 0.097 4.437 4.340 -0.001 0.000 0.268 70 Q C -1.185 174.755 176.000 -0.100 0.000 1.023 70 Q CA -0.269 55.444 55.803 -0.149 0.000 0.744 70 Q CB 1.008 29.836 28.738 0.150 0.000 1.246 70 Q HN 0.747 nan 8.270 nan 0.000 0.462 71 E N 3.383 123.531 120.200 -0.087 0.000 2.252 71 E HA -0.359 3.991 4.350 -0.001 0.000 0.218 71 E C -0.660 175.866 176.600 -0.123 0.000 1.253 71 E CA 0.447 56.804 56.400 -0.071 0.000 0.705 71 E CB -1.246 28.433 29.700 -0.034 0.000 1.172 71 E HN 0.887 nan 8.360 nan 0.000 0.369 72 N N 0.366 118.963 118.700 -0.172 0.000 2.721 72 N HA -0.173 4.567 4.740 -0.001 0.000 0.249 72 N C -1.067 174.205 175.510 -0.398 0.000 1.072 72 N CA 1.078 53.969 53.050 -0.265 0.000 0.710 72 N CB -0.700 37.689 38.487 -0.163 0.000 0.993 72 N HN 0.453 nan 8.380 nan 0.000 0.547 73 N N 0.712 119.207 118.700 -0.343 0.000 2.371 73 N HA 0.287 5.027 4.740 -0.001 0.000 0.291 73 N C -0.376 174.970 175.510 -0.273 0.000 1.053 73 N CA -0.535 52.327 53.050 -0.313 0.000 0.870 73 N CB 1.407 39.792 38.487 -0.170 0.000 1.503 73 N HN -0.032 nan 8.380 nan 0.000 0.485 74 I N 3.251 123.646 120.570 -0.292 0.000 2.337 74 I HA 0.333 4.503 4.170 -0.001 0.000 0.291 74 I C 0.480 176.622 176.117 0.041 0.000 1.046 74 I CA -0.200 61.014 61.300 -0.143 0.000 1.324 74 I CB 0.050 37.952 38.000 -0.162 0.000 1.409 74 I HN 0.291 nan 8.210 nan 0.000 0.494 75 L N 6.166 127.461 121.223 0.121 0.000 2.334 75 L HA 0.527 4.867 4.340 -0.001 0.000 0.270 75 L C -0.495 176.449 176.870 0.123 0.000 1.018 75 L CA -1.051 53.853 54.840 0.107 0.000 0.811 75 L CB 2.118 44.247 42.059 0.116 0.000 1.271 75 L HN 0.326 nan 8.230 nan 0.000 0.443 76 L N 1.943 123.110 121.223 -0.094 0.000 2.294 76 L HA 0.547 4.886 4.340 -0.001 0.000 0.283 76 L C -1.135 175.549 176.870 -0.311 0.000 1.015 76 L CA 0.145 54.911 54.840 -0.124 0.000 0.831 76 L CB 0.611 42.598 42.059 -0.120 0.000 1.217 76 L HN 0.160 nan 8.230 nan 0.000 0.420 77 F N 3.326 122.977 119.950 -0.497 0.000 2.425 77 F HA 0.443 4.970 4.527 -0.000 0.000 0.331 77 F C 0.699 176.179 175.800 -0.533 0.000 1.085 77 F CA -0.653 56.986 58.000 -0.603 0.000 1.028 77 F CB 1.118 39.523 39.000 -0.991 0.000 1.177 77 F HN 0.498 nan 8.300 nan 0.000 0.487 78 N N 2.063 120.688 118.700 -0.126 0.000 2.439 78 N HA 0.363 5.103 4.740 -0.001 0.000 0.249 78 N C -0.927 174.538 175.510 -0.075 0.000 1.003 78 N CA -0.202 52.802 53.050 -0.077 0.000 0.942 78 N CB 1.273 39.756 38.487 -0.007 0.000 1.115 78 N HN 0.738 nan 8.380 nan 0.000 0.505 79 A N 3.213 125.953 122.820 -0.133 0.000 2.451 79 A HA 0.309 4.629 4.320 -0.001 0.000 0.266 79 A C 0.843 178.171 177.584 -0.427 0.000 1.119 79 A CA 0.180 52.070 52.037 -0.245 0.000 0.786 79 A CB 0.024 18.751 19.000 -0.456 0.000 1.061 79 A HN 0.932 nan 8.150 nan 0.000 0.503 80 E N 0.753 120.851 120.200 -0.169 0.000 3.083 80 E HA -0.103 4.247 4.350 -0.001 0.000 0.142 80 E C -0.348 176.024 176.600 -0.380 0.000 0.646 80 E CA 0.878 57.150 56.400 -0.214 0.000 2.888 80 E CB -0.692 28.823 29.700 -0.308 0.000 2.063 80 E HN 0.823 nan 8.360 nan 0.000 0.772 81 H N -1.053 118.039 119.070 0.037 0.000 2.731 81 H HA 0.587 5.143 4.556 -0.001 0.000 0.368 81 H C 0.989 176.336 175.328 0.031 0.000 1.168 81 H CA -0.149 55.916 56.048 0.029 0.000 1.181 81 H CB 1.526 31.298 29.762 0.016 0.000 1.743 81 H HN 0.276 nan 8.280 nan 0.000 0.547 82 G N 0.883 109.779 108.800 0.159 0.000 2.535 82 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.218 82 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.218 82 G C 0.696 175.641 174.900 0.075 0.000 1.122 82 G CA 0.008 45.185 45.100 0.129 0.000 0.769 82 G HN 0.683 nan 8.290 nan 0.000 0.549 83 N N 0.768 119.505 118.700 0.061 0.000 1.792 83 N HA -0.038 4.701 4.740 -0.001 0.000 0.321 83 N C 0.865 176.294 175.510 -0.134 0.000 1.314 83 N CA 0.668 53.706 53.050 -0.019 0.000 0.814 83 N CB 0.343 38.845 38.487 0.025 0.000 1.073 83 N HN 0.384 nan 8.380 nan 0.000 0.503 84 S N 1.881 117.442 115.700 -0.232 0.000 2.694 84 S HA 0.813 5.283 4.470 -0.001 0.000 0.286 84 S C -0.238 174.167 174.600 -0.325 0.000 1.080 84 S CA -0.352 57.551 58.200 -0.495 0.000 0.953 84 S CB 1.765 64.574 63.200 -0.652 0.000 1.313 84 S HN 0.691 nan 8.310 nan 0.000 0.555 85 S N -1.106 114.388 115.700 -0.343 0.000 2.785 85 S HA 0.229 4.699 4.470 -0.001 0.000 0.286 85 S C -1.801 172.725 174.600 -0.124 0.000 0.918 85 S CA -0.857 57.238 58.200 -0.174 0.000 0.866 85 S CB -0.353 62.781 63.200 -0.110 0.000 1.087 85 S HN 0.741 nan 8.310 nan 0.000 0.472 86 I N 4.861 125.394 120.570 -0.061 0.000 2.416 86 I HA 0.308 4.477 4.170 -0.001 0.000 0.288 86 I C 0.611 176.764 176.117 0.060 0.000 1.051 86 I CA -0.151 61.135 61.300 -0.023 0.000 1.375 86 I CB 0.816 38.787 38.000 -0.049 0.000 1.407 86 I HN 0.752 nan 8.210 nan 0.000 0.516 87 F N 7.105 127.005 119.950 -0.083 0.000 2.500 87 F HA 0.403 4.930 4.527 -0.001 0.000 0.285 87 F C 0.276 176.043 175.800 -0.055 0.000 1.088 87 F CA 0.372 58.342 58.000 -0.050 0.000 1.432 87 F CB 0.568 39.555 39.000 -0.022 0.000 1.131 87 F HN 0.166 nan 8.300 nan 0.000 0.582 88 L N 1.150 122.336 121.223 -0.061 0.000 2.493 88 L HA 0.296 4.636 4.340 -0.001 0.000 0.265 88 L C -0.776 175.959 176.870 -0.225 0.000 0.954 88 L CA -0.712 54.014 54.840 -0.191 0.000 0.844 88 L CB 2.332 44.264 42.059 -0.211 0.000 1.302 88 L HN -0.109 nan 8.230 nan 0.000 0.405 89 E N 1.822 121.898 120.200 -0.206 0.000 2.349 89 E HA 0.105 4.455 4.350 -0.001 0.000 0.262 89 E C 0.253 176.715 176.600 -0.229 0.000 1.088 89 E CA -0.528 55.760 56.400 -0.187 0.000 0.899 89 E CB 1.038 30.664 29.700 -0.124 0.000 1.044 89 E HN 0.495 nan 8.360 nan 0.000 0.420 90 N N 1.052 119.643 118.700 -0.182 0.000 2.133 90 N HA -0.209 4.530 4.740 -0.001 0.000 0.193 90 N C 1.514 176.951 175.510 -0.122 0.000 1.012 90 N CA 1.289 54.243 53.050 -0.160 0.000 0.871 90 N CB -0.087 38.340 38.487 -0.099 0.000 1.011 90 N HN 0.340 nan 8.380 nan 0.000 0.435 91 S N -0.437 115.201 115.700 -0.103 0.000 2.248 91 S HA -0.128 4.342 4.470 -0.001 0.000 0.186 91 S C 1.593 176.164 174.600 -0.049 0.000 1.369 91 S CA 2.522 60.681 58.200 -0.069 0.000 2.325 91 S CB -0.882 62.277 63.200 -0.069 0.000 0.513 91 S HN 0.475 nan 8.310 nan 0.000 0.352 92 T N 1.476 115.978 114.554 -0.088 0.000 2.982 92 T HA -0.279 4.070 4.350 -0.001 0.000 0.224 92 T C 1.315 176.030 174.700 0.024 0.000 1.215 92 T CA 2.476 64.505 62.100 -0.118 0.000 1.098 92 T CB -1.272 67.434 68.868 -0.271 0.000 0.804 92 T HN 0.448 nan 8.240 nan 0.000 0.523 93 F N 1.926 121.766 119.950 -0.184 0.000 2.171 93 F HA -0.033 4.494 4.527 -0.001 0.000 0.300 93 F C 2.439 178.170 175.800 -0.115 0.000 1.090 93 F CA 1.318 59.235 58.000 -0.139 0.000 1.293 93 F CB -0.526 38.401 39.000 -0.122 0.000 1.013 93 F HN 0.355 nan 8.300 nan 0.000 0.486 94 E N 0.844 121.091 120.200 0.079 0.000 2.512 94 E HA -0.113 4.236 4.350 -0.001 0.000 0.195 94 E C 1.901 178.477 176.600 -0.039 0.000 1.083 94 E CA 0.530 56.934 56.400 0.007 0.000 0.873 94 E CB -0.721 28.980 29.700 0.003 0.000 0.897 94 E HN 0.438 nan 8.360 nan 0.000 0.514 95 I N 0.497 121.031 120.570 -0.061 0.000 2.193 95 I HA -0.194 3.975 4.170 -0.001 0.000 0.240 95 I C 2.591 178.633 176.117 -0.125 0.000 1.084 95 I CA 1.699 62.950 61.300 -0.083 0.000 1.365 95 I CB -0.573 37.376 38.000 -0.086 0.000 1.064 95 I HN 0.178 nan 8.210 nan 0.000 0.410 96 F N 1.740 121.579 119.950 -0.185 0.000 2.725 96 F HA 0.488 5.014 4.527 -0.001 0.000 0.303 96 F C 1.673 177.369 175.800 -0.174 0.000 1.167 96 F CA 0.223 58.059 58.000 -0.273 0.000 1.403 96 F CB -1.514 37.210 39.000 -0.460 0.000 1.077 96 F HN 0.314 nan 8.300 nan 0.000 0.537 97 G N 1.064 109.799 108.800 -0.108 0.000 2.596 97 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.304 97 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.304 97 G C 0.782 175.656 174.900 -0.044 0.000 1.189 97 G CA 0.621 45.683 45.100 -0.063 0.000 0.986 97 G HN 0.938 nan 8.290 nan 0.000 0.548 98 D N 0.705 121.084 120.400 -0.035 0.000 2.349 98 D HA 0.141 4.781 4.640 -0.001 0.000 0.214 98 D C 1.925 178.210 176.300 -0.025 0.000 1.063 98 D CA 1.256 55.244 54.000 -0.020 0.000 0.847 98 D CB -0.088 40.705 40.800 -0.012 0.000 0.933 98 D HN 0.773 nan 8.370 nan 0.000 0.513 99 S N -0.019 115.659 115.700 -0.036 0.000 2.557 99 S HA 0.166 4.636 4.470 -0.001 0.000 0.223 99 S C 0.878 175.469 174.600 -0.016 0.000 0.969 99 S CA -0.583 57.611 58.200 -0.010 0.000 0.927 99 S CB -0.079 63.140 63.200 0.031 0.000 0.806 99 S HN 0.052 nan 8.310 nan 0.000 0.489 100 I N 3.695 124.211 120.570 -0.089 0.000 2.471 100 I HA 0.102 4.272 4.170 -0.001 0.000 0.294 100 I C 1.643 177.683 176.117 -0.130 0.000 1.123 100 I CA 0.143 61.340 61.300 -0.172 0.000 1.336 100 I CB 0.018 37.760 38.000 -0.430 0.000 1.430 100 I HN 0.371 nan 8.210 nan 0.000 0.533 101 S N 4.592 120.242 115.700 -0.082 0.000 2.357 101 S HA -0.087 4.382 4.470 -0.001 0.000 0.221 101 S C 0.612 175.176 174.600 -0.059 0.000 1.031 101 S CA 1.202 59.342 58.200 -0.100 0.000 0.982 101 S CB 0.254 63.394 63.200 -0.102 0.000 0.853 101 S HN 0.794 nan 8.310 nan 0.000 0.458 102 D N -2.225 118.168 120.400 -0.011 0.000 2.692 102 D HA 0.443 5.083 4.640 -0.001 0.000 0.290 102 D C -1.616 174.795 176.300 0.185 0.000 1.281 102 D CA -0.645 53.417 54.000 0.104 0.000 0.804 102 D CB 1.065 41.917 40.800 0.087 0.000 1.331 102 D HN 0.325 nan 8.370 nan 0.000 0.432 103 Y N -1.180 119.200 120.300 0.134 0.000 2.553 103 Y HA 0.780 5.329 4.550 -0.001 0.000 0.347 103 Y C -1.289 174.769 175.900 0.264 0.000 1.019 103 Y CA -0.971 57.250 58.100 0.202 0.000 1.032 103 Y CB 2.015 40.654 38.460 0.299 0.000 1.284 103 Y HN 0.202 nan 8.280 nan 0.000 0.466 104 S N 2.315 118.199 115.700 0.305 0.000 2.736 104 S HA 0.605 5.074 4.470 -0.001 0.000 0.285 104 S C -1.851 173.073 174.600 0.539 0.000 1.163 104 S CA -0.581 57.790 58.200 0.285 0.000 1.025 104 S CB 0.915 64.299 63.200 0.306 0.000 1.030 104 S HN 0.710 nan 8.310 nan 0.000 0.486 105 V N 5.331 125.475 119.914 0.384 0.000 2.432 105 V HA 0.435 4.555 4.120 -0.001 0.000 0.275 105 V C 0.844 176.872 176.094 -0.110 0.000 1.043 105 V CA -0.550 61.929 62.300 0.298 0.000 0.925 105 V CB 1.211 33.235 31.823 0.335 0.000 0.985 105 V HN 1.024 nan 8.190 nan 0.000 0.466 106 S N 7.084 122.389 115.700 -0.658 0.000 2.566 106 S HA 0.132 4.602 4.470 -0.001 0.000 0.280 106 S C -1.238 173.079 174.600 -0.473 0.000 1.343 106 S CA -0.538 56.821 58.200 -1.401 0.000 1.036 106 S CB 0.507 62.742 63.200 -1.607 0.000 0.866 106 S HN 0.668 nan 8.310 nan 0.000 0.526 107 P HA -0.033 nan 4.420 nan 0.000 0.230 107 P C 0.351 177.613 177.300 -0.064 0.000 1.158 107 P CA 0.913 63.942 63.100 -0.117 0.000 0.769 107 P CB -0.174 31.486 31.700 -0.067 0.000 0.807 108 D N -0.326 120.037 120.400 -0.062 0.000 2.349 108 D HA 0.036 4.675 4.640 -0.001 0.000 0.214 108 D C 0.291 176.598 176.300 0.011 0.000 1.063 108 D CA -0.336 53.669 54.000 0.009 0.000 0.847 108 D CB -0.209 40.642 40.800 0.086 0.000 0.933 108 D HN 0.093 nan 8.370 nan 0.000 0.513 109 R N 0.320 120.824 120.500 0.007 0.000 3.627 109 R HA -0.174 4.166 4.340 -0.001 0.000 0.281 109 R C 0.786 177.119 176.300 0.055 0.000 1.140 109 R CA 0.265 56.444 56.100 0.131 0.000 0.761 109 R CB -2.277 28.143 30.300 0.199 0.000 1.181 109 R HN 0.345 nan 8.270 nan 0.000 0.472 110 L N -1.068 120.091 121.223 -0.106 0.000 2.556 110 L HA 0.279 4.618 4.340 -0.001 0.000 0.226 110 L C 0.298 176.683 176.870 -0.809 0.000 1.089 110 L CA 0.580 55.150 54.840 -0.451 0.000 0.864 110 L CB 0.224 41.953 42.059 -0.550 0.000 1.067 110 L HN 0.004 nan 8.230 nan 0.000 0.477 111 F N -1.636 118.257 119.950 -0.095 0.000 2.643 111 F HA 0.593 5.119 4.527 -0.001 0.000 0.314 111 F C -0.450 175.442 175.800 0.153 0.000 1.096 111 F CA -1.100 56.907 58.000 0.013 0.000 0.953 111 F CB 1.711 40.752 39.000 0.068 0.000 1.345 111 F HN -0.550 nan 8.300 nan 0.000 0.468 112 V N 2.385 122.631 119.914 0.554 0.000 2.709 112 V HA 0.410 4.530 4.120 -0.001 0.000 0.308 112 V C -0.686 175.768 176.094 0.601 0.000 1.062 112 V CA -0.802 61.845 62.300 0.578 0.000 0.901 112 V CB 2.254 34.380 31.823 0.505 0.000 1.003 112 V HN 0.586 nan 8.190 nan 0.000 0.425 113 L N 5.030 126.622 121.223 0.616 0.000 2.276 113 L HA 0.508 4.847 4.340 -0.001 0.000 0.286 113 L C -0.776 176.316 176.870 0.370 0.000 1.061 113 L CA -0.314 54.785 54.840 0.431 0.000 0.807 113 L CB 1.012 43.251 42.059 0.299 0.000 1.177 113 L HN 0.474 nan 8.230 nan 0.000 0.429 114 L N 4.721 126.125 121.223 0.302 0.000 2.294 114 L HA 0.406 4.746 4.340 -0.001 0.000 0.283 114 L C -0.028 176.933 176.870 0.151 0.000 1.015 114 L CA -0.366 54.583 54.840 0.180 0.000 0.831 114 L CB 1.567 43.679 42.059 0.089 0.000 1.217 114 L HN 0.588 nan 8.230 nan 0.000 0.420 115 E N 4.300 124.506 120.200 0.011 0.000 2.227 115 E HA 0.445 4.795 4.350 -0.001 0.000 0.282 115 E C -1.582 174.933 176.600 -0.142 0.000 1.015 115 E CA -0.424 55.763 56.400 -0.356 0.000 0.823 115 E CB 1.004 30.599 29.700 -0.176 0.000 1.081 115 E HN 0.445 nan 8.360 nan 0.000 0.396 116 Y N 1.309 121.397 120.300 -0.354 0.000 2.624 116 Y HA 0.397 4.947 4.550 -0.001 0.000 0.334 116 Y C -0.633 175.180 175.900 -0.145 0.000 1.155 116 Y CA -1.448 56.535 58.100 -0.196 0.000 1.046 116 Y CB 0.741 39.099 38.460 -0.170 0.000 1.316 116 Y HN 0.594 nan 8.280 nan 0.000 0.457 117 N N -0.137 118.592 118.700 0.048 0.000 2.816 117 N HA -0.274 4.465 4.740 -0.001 0.000 0.247 117 N C -1.228 174.277 175.510 -0.009 0.000 1.100 117 N CA 0.780 53.832 53.050 0.004 0.000 0.687 117 N CB -1.756 36.686 38.487 -0.075 0.000 1.003 117 N HN 0.875 nan 8.380 nan 0.000 0.554 118 Y N 0.017 120.254 120.300 -0.106 0.000 2.610 118 Y HA 0.342 4.892 4.550 -0.001 0.000 0.332 118 Y C 0.134 176.001 175.900 -0.055 0.000 1.201 118 Y CA 0.079 58.118 58.100 -0.100 0.000 1.465 118 Y CB 0.684 39.029 38.460 -0.193 0.000 1.283 118 Y HN -0.021 nan 8.280 nan 0.000 0.563 119 V N 7.570 127.285 119.914 -0.330 0.000 2.532 119 V HA 0.186 4.306 4.120 -0.001 0.000 0.294 119 V C -0.318 175.548 176.094 -0.380 0.000 1.036 119 V CA -1.446 60.734 62.300 -0.201 0.000 0.876 119 V CB 1.393 33.145 31.823 -0.119 0.000 1.012 119 V HN 0.798 nan 8.190 nan 0.000 0.432 120 K N 3.489 123.760 120.400 -0.215 0.000 2.286 120 K HA 0.328 4.648 4.320 -0.001 0.000 0.256 120 K C -0.218 176.270 176.600 -0.187 0.000 0.999 120 K CA -0.027 56.179 56.287 -0.134 0.000 0.908 120 K CB 0.561 33.119 32.500 0.097 0.000 0.981 120 K HN 0.768 nan 8.250 nan 0.000 0.500 121 Q N 3.249 122.919 119.800 -0.216 0.000 3.087 121 Q HA 0.080 4.419 4.340 -0.001 0.000 0.202 121 Q C -1.923 173.827 176.000 -0.417 0.000 0.763 121 Q CA -0.295 55.174 55.803 -0.557 0.000 1.023 121 Q CB 0.156 28.428 28.738 -0.778 0.000 1.570 121 Q HN 0.875 nan 8.270 nan 0.000 0.494 122 W N 0.902 122.227 121.300 0.041 0.000 3.096 122 W HA -0.297 4.363 4.660 -0.001 0.000 0.320 122 W C 1.073 177.556 176.519 -0.061 0.000 0.079 122 W CA -0.350 57.011 57.345 0.027 0.000 0.459 122 W CB -0.714 28.702 29.460 -0.074 0.000 2.824 122 W HN 0.618 nan 8.180 nan 0.000 0.417 123 R N -0.402 120.167 120.500 0.115 0.000 2.094 123 R HA -0.195 4.144 4.340 -0.001 0.000 0.239 123 R C 1.678 177.768 176.300 -0.350 0.000 1.137 123 R CA 2.611 58.580 56.100 -0.219 0.000 0.943 123 R CB -0.357 29.654 30.300 -0.481 0.000 0.850 123 R HN 0.517 nan 8.270 nan 0.000 0.433 124 H N -1.879 117.246 119.070 0.091 0.000 2.788 124 H HA 0.277 4.833 4.556 -0.001 0.000 0.262 124 H C 0.436 175.833 175.328 0.115 0.000 0.968 124 H CA -0.081 56.046 56.048 0.132 0.000 1.218 124 H CB 0.525 30.340 29.762 0.087 0.000 1.443 124 H HN 0.003 nan 8.280 nan 0.000 0.478 125 S N 1.246 116.902 115.700 -0.074 0.000 2.580 125 S HA 0.246 4.715 4.470 -0.001 0.000 0.266 125 S C -0.655 173.847 174.600 -0.164 0.000 1.354 125 S CA 0.130 57.971 58.200 -0.597 0.000 1.008 125 S CB 0.210 62.675 63.200 -1.225 0.000 0.898 125 S HN 0.526 nan 8.310 nan 0.000 0.555 126 Y N -2.664 117.488 120.300 -0.247 0.000 2.860 126 Y HA 0.447 4.997 4.550 -0.001 0.000 0.389 126 Y C -1.124 174.697 175.900 -0.131 0.000 1.143 126 Y CA -1.160 56.752 58.100 -0.312 0.000 1.330 126 Y CB 0.113 38.231 38.460 -0.571 0.000 1.481 126 Y HN 0.716 nan 8.280 nan 0.000 0.511 127 T N 0.625 115.186 114.554 0.012 0.000 2.841 127 T HA 1.010 5.359 4.350 -0.001 0.000 0.283 127 T C -0.426 174.310 174.700 0.060 0.000 1.000 127 T CA 0.063 62.182 62.100 0.031 0.000 0.977 127 T CB 1.644 70.500 68.868 -0.021 0.000 0.979 127 T HN 1.722 nan 8.240 nan 0.000 0.446 128 A N 2.215 125.082 122.820 0.077 0.000 2.475 128 A HA 0.956 5.276 4.320 -0.001 0.000 0.281 128 A C -0.354 177.045 177.584 -0.308 0.000 1.263 128 A CA -0.977 50.972 52.037 -0.145 0.000 0.776 128 A CB 1.375 20.226 19.000 -0.248 0.000 1.347 128 A HN 0.864 nan 8.150 nan 0.000 0.443 129 S N -1.288 113.965 115.700 -0.744 0.000 2.566 129 S HA 0.803 5.272 4.470 -0.001 0.000 0.298 129 S C -1.710 172.227 174.600 -1.105 0.000 1.083 129 S CA -0.144 57.566 58.200 -0.816 0.000 0.978 129 S CB 0.982 63.517 63.200 -1.108 0.000 1.073 129 S HN 0.458 nan 8.310 nan 0.000 0.491 130 Y N -0.028 119.997 120.300 -0.459 0.000 2.562 130 Y HA 0.628 5.178 4.550 -0.001 0.000 0.345 130 Y C 0.039 175.957 175.900 0.031 0.000 1.045 130 Y CA -0.759 57.237 58.100 -0.173 0.000 1.028 130 Y CB 2.170 40.501 38.460 -0.215 0.000 1.297 130 Y HN 0.551 nan 8.280 nan 0.000 0.463 131 S N 2.669 118.550 115.700 0.302 0.000 2.547 131 S HA 0.634 5.104 4.470 -0.001 0.000 0.281 131 S C -1.297 173.425 174.600 0.203 0.000 1.118 131 S CA -0.689 57.639 58.200 0.213 0.000 0.947 131 S CB 1.115 64.437 63.200 0.203 0.000 1.053 131 S HN 0.355 nan 8.310 nan 0.000 0.482 132 I N 3.016 123.681 120.570 0.159 0.000 2.353 132 I HA 0.309 4.479 4.170 -0.001 0.000 0.293 132 I C -0.697 175.599 176.117 0.298 0.000 0.992 132 I CA -0.516 60.917 61.300 0.221 0.000 1.268 132 I CB 0.666 38.729 38.000 0.104 0.000 1.387 132 I HN 0.687 nan 8.210 nan 0.000 0.478 133 Y N 5.050 125.492 120.300 0.238 0.000 2.331 133 Y HA 0.278 4.827 4.550 -0.001 0.000 0.338 133 Y C 0.063 176.076 175.900 0.187 0.000 0.976 133 Y CA -0.788 57.415 58.100 0.172 0.000 1.137 133 Y CB 0.911 39.449 38.460 0.131 0.000 1.172 133 Y HN 0.499 nan 8.280 nan 0.000 0.478 134 D N 6.706 126.854 120.400 -0.421 0.000 2.393 134 D HA 0.083 4.723 4.640 -0.001 0.000 0.232 134 D C 0.986 176.859 176.300 -0.711 0.000 1.192 134 D CA 0.326 54.073 54.000 -0.421 0.000 0.882 134 D CB 0.643 41.325 40.800 -0.198 0.000 1.038 134 D HN 0.871 nan 8.370 nan 0.000 0.499 135 L N 3.458 124.356 121.223 -0.542 0.000 2.043 135 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 135 L C 2.063 178.725 176.870 -0.346 0.000 1.075 135 L CA 0.997 55.601 54.840 -0.394 0.000 0.752 135 L CB -0.349 41.516 42.059 -0.322 0.000 0.891 135 L HN 0.383 nan 8.230 nan 0.000 0.432 136 N N 0.560 119.042 118.700 -0.363 0.000 2.083 136 N HA -0.211 4.528 4.740 -0.001 0.000 0.190 136 N C 1.729 177.114 175.510 -0.208 0.000 1.047 136 N CA 1.282 54.179 53.050 -0.254 0.000 0.845 136 N CB -0.048 38.290 38.487 -0.249 0.000 1.025 136 N HN -0.080 nan 8.380 nan 0.000 0.428 137 K N 0.960 121.234 120.400 -0.210 0.000 2.519 137 K HA 0.054 4.373 4.320 -0.001 0.000 0.196 137 K C -0.338 176.163 176.600 -0.166 0.000 1.041 137 K CA 0.391 56.591 56.287 -0.144 0.000 0.954 137 K CB -0.085 32.365 32.500 -0.084 0.000 0.774 137 K HN 0.200 nan 8.250 nan 0.000 0.480 138 R N 0.453 120.797 120.500 -0.261 0.000 3.264 138 R HA -0.232 4.107 4.340 -0.001 0.000 0.251 138 R C -1.011 175.178 176.300 -0.184 0.000 0.971 138 R CA 1.196 57.160 56.100 -0.227 0.000 0.658 138 R CB -1.848 28.407 30.300 -0.075 0.000 1.095 138 R HN 0.629 nan 8.270 nan 0.000 0.443 139 Q N -1.475 118.070 119.800 -0.424 0.000 2.829 139 Q HA 0.479 4.818 4.340 -0.001 0.000 0.296 139 Q C -1.082 174.844 176.000 -0.123 0.000 0.893 139 Q CA -1.152 54.590 55.803 -0.101 0.000 0.772 139 Q CB 0.853 29.586 28.738 -0.007 0.000 1.489 139 Q HN 0.094 nan 8.270 nan 0.000 0.420 140 L N 1.755 123.071 121.223 0.154 0.000 2.319 140 L HA 0.401 4.741 4.340 -0.001 0.000 0.280 140 L C -0.238 176.692 176.870 0.099 0.000 1.099 140 L CA -0.599 54.352 54.840 0.185 0.000 0.828 140 L CB 0.378 42.549 42.059 0.187 0.000 1.150 140 L HN 0.550 nan 8.230 nan 0.000 0.442 141 I N 2.867 123.487 120.570 0.083 0.000 2.598 141 I HA -0.061 4.108 4.170 -0.001 0.000 0.284 141 I C 1.138 177.289 176.117 0.057 0.000 1.140 141 I CA 0.597 61.932 61.300 0.058 0.000 1.420 141 I CB 0.961 38.919 38.000 -0.069 0.000 1.387 141 I HN 0.638 nan 8.210 nan 0.000 0.553 142 T N 3.676 118.271 114.554 0.068 0.000 3.170 142 T HA 0.187 4.536 4.350 -0.001 0.000 0.288 142 T C 0.862 175.583 174.700 0.035 0.000 0.992 142 T CA -0.067 62.060 62.100 0.044 0.000 0.909 142 T CB 0.083 68.976 68.868 0.041 0.000 1.133 142 T HN 0.619 nan 8.240 nan 0.000 0.530 143 E N 1.147 121.379 120.200 0.054 0.000 2.040 143 E HA 0.151 4.500 4.350 -0.001 0.000 0.205 143 E C 0.340 176.946 176.600 0.010 0.000 0.936 143 E CA 0.393 56.819 56.400 0.044 0.000 0.900 143 E CB 0.133 29.883 29.700 0.084 0.000 0.889 143 E HN 0.257 nan 8.360 nan 0.000 0.503 144 E N 2.436 122.642 120.200 0.009 0.000 1.814 144 E HA 0.085 4.434 4.350 -0.001 0.000 0.264 144 E C -0.715 175.853 176.600 -0.054 0.000 1.179 144 E CA 0.112 56.498 56.400 -0.023 0.000 0.972 144 E CB 0.212 29.907 29.700 -0.008 0.000 1.077 144 E HN 0.164 nan 8.360 nan 0.000 0.417 145 K N 1.382 121.737 120.400 -0.074 0.000 2.149 145 K HA 0.330 4.650 4.320 -0.001 0.000 0.245 145 K C 0.815 177.300 176.600 -0.192 0.000 1.024 145 K CA -0.313 55.911 56.287 -0.104 0.000 0.899 145 K CB 0.854 33.302 32.500 -0.086 0.000 1.038 145 K HN 0.423 nan 8.250 nan 0.000 0.496 146 I N 0.761 121.175 120.570 -0.260 0.000 2.404 146 I HA 0.311 4.481 4.170 -0.001 0.000 0.293 146 I C -2.235 173.564 176.117 -0.531 0.000 0.992 146 I CA -2.615 58.390 61.300 -0.492 0.000 1.149 146 I CB 1.661 39.276 38.000 -0.641 0.000 1.315 146 I HN 0.438 nan 8.210 nan 0.000 0.446 147 P HA -0.179 nan 4.420 nan 0.000 0.258 147 P C -0.407 176.641 177.300 -0.420 0.000 1.128 147 P CA 0.751 63.343 63.100 -0.847 0.000 0.760 147 P CB 0.046 30.653 31.700 -1.823 0.000 0.715 148 N N 3.046 121.613 118.700 -0.221 0.000 2.626 148 N HA -0.049 4.691 4.740 -0.001 0.000 0.226 148 N C 0.420 175.931 175.510 0.000 0.000 1.376 148 N CA -0.096 52.894 53.050 -0.100 0.000 0.894 148 N CB -0.237 38.220 38.487 -0.050 0.000 1.218 148 N HN 0.343 nan 8.380 nan 0.000 0.492 149 N N -0.057 118.694 118.700 0.086 0.000 2.425 149 N HA -0.030 4.710 4.740 -0.001 0.000 0.237 149 N C -1.170 174.489 175.510 0.249 0.000 1.406 149 N CA -0.023 53.124 53.050 0.162 0.000 1.198 149 N CB 0.313 38.927 38.487 0.211 0.000 1.331 149 N HN -0.023 nan 8.380 nan 0.000 0.550 150 T N 0.902 115.568 114.554 0.186 0.000 2.934 150 T HA 0.008 4.358 4.350 -0.001 0.000 0.306 150 T C 1.588 176.373 174.700 0.142 0.000 1.042 150 T CA 0.669 62.877 62.100 0.179 0.000 1.145 150 T CB 1.362 70.191 68.868 -0.066 0.000 0.982 150 T HN 0.186 nan 8.240 nan 0.000 0.544 151 Q N 1.221 121.099 119.800 0.131 0.000 2.302 151 Q HA 0.184 4.524 4.340 -0.001 0.000 0.202 151 Q C 0.075 176.148 176.000 0.122 0.000 0.936 151 Q CA 0.424 56.291 55.803 0.107 0.000 0.886 151 Q CB 0.645 29.406 28.738 0.038 0.000 0.986 151 Q HN 0.748 nan 8.270 nan 0.000 0.487 152 W N -0.503 120.702 121.300 -0.159 0.000 3.319 152 W HA 0.483 5.143 4.660 -0.001 0.000 0.300 152 W C -2.410 174.000 176.519 -0.181 0.000 1.244 152 W CA -0.686 56.533 57.345 -0.210 0.000 1.193 152 W CB 0.722 30.001 29.460 -0.301 0.000 1.359 152 W HN -0.102 nan 8.180 nan 0.000 0.568 153 I N 3.537 123.217 120.570 -1.483 0.000 2.908 153 I HA 0.639 4.808 4.170 -0.001 0.000 0.300 153 I C -1.654 173.708 176.117 -1.259 0.000 1.385 153 I CA -0.091 60.537 61.300 -1.120 0.000 1.004 153 I CB 2.561 39.960 38.000 -1.003 0.000 1.309 153 I HN 0.406 nan 8.210 nan 0.000 0.449 154 T N 4.002 118.161 114.554 -0.658 0.000 3.087 154 T HA 0.366 4.716 4.350 -0.001 0.000 0.351 154 T C -1.585 173.036 174.700 -0.131 0.000 1.520 154 T CA -0.327 61.557 62.100 -0.359 0.000 1.111 154 T CB 0.551 69.399 68.868 -0.033 0.000 1.353 154 T HN 0.543 nan 8.240 nan 0.000 0.481 155 W N 2.631 123.909 121.300 -0.037 0.000 1.992 155 W HA 0.461 5.121 4.660 -0.000 0.000 0.360 155 W C 1.610 177.965 176.519 -0.273 0.000 1.369 155 W CA -0.199 57.074 57.345 -0.120 0.000 1.403 155 W CB 0.403 29.815 29.460 -0.080 0.000 1.215 155 W HN 0.836 nan 8.180 nan 0.000 0.643 156 S N -0.183 115.313 115.700 -0.341 0.000 2.484 156 S HA 0.081 4.550 4.470 -0.001 0.000 0.256 156 S C 0.596 175.072 174.600 -0.208 0.000 1.223 156 S CA -0.187 57.477 58.200 -0.894 0.000 1.002 156 S CB 0.208 62.735 63.200 -1.122 0.000 1.043 156 S HN 0.652 nan 8.310 nan 0.000 0.517 157 Q N -0.202 119.508 119.800 -0.149 0.000 2.352 157 Q HA 0.162 4.502 4.340 -0.001 0.000 0.212 157 Q C 0.642 176.613 176.000 -0.048 0.000 0.888 157 Q CA 0.318 56.116 55.803 -0.008 0.000 0.934 157 Q CB 0.287 29.054 28.738 0.049 0.000 1.093 157 Q HN 0.669 nan 8.270 nan 0.000 0.523 158 E N -0.626 119.497 120.200 -0.129 0.000 2.907 158 E HA 0.161 4.510 4.350 -0.001 0.000 0.197 158 E C 1.001 177.510 176.600 -0.152 0.000 1.150 158 E CA 0.404 56.734 56.400 -0.117 0.000 1.134 158 E CB -0.830 28.797 29.700 -0.122 0.000 2.214 158 E HN 0.172 nan 8.360 nan 0.000 0.541 159 G N 1.191 109.844 108.800 -0.246 0.000 2.519 159 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.161 159 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.161 159 G C 0.143 174.878 174.900 -0.276 0.000 1.671 159 G CA 0.530 45.416 45.100 -0.357 0.000 1.028 159 G HN 0.490 nan 8.290 nan 0.000 0.486 160 H N -0.506 118.532 119.070 -0.054 0.000 2.510 160 H HA 0.381 4.936 4.556 -0.001 0.000 0.266 160 H C -0.028 175.420 175.328 0.200 0.000 1.146 160 H CA -0.408 55.655 56.048 0.024 0.000 0.993 160 H CB -0.144 29.576 29.762 -0.069 0.000 1.727 160 H HN 0.191 nan 8.280 nan 0.000 0.590 161 K N 1.720 122.051 120.400 -0.116 0.000 2.350 161 K HA 0.379 4.698 4.320 -0.001 0.000 0.279 161 K C -0.379 176.140 176.600 -0.136 0.000 1.027 161 K CA -0.146 55.994 56.287 -0.245 0.000 0.969 161 K CB 1.312 33.385 32.500 -0.712 0.000 0.954 161 K HN 0.135 nan 8.250 nan 0.000 0.474 162 L N 1.841 123.049 121.223 -0.024 0.000 2.362 162 L HA 0.604 4.944 4.340 -0.001 0.000 0.271 162 L C -0.767 176.255 176.870 0.254 0.000 1.002 162 L CA -0.807 54.017 54.840 -0.028 0.000 0.818 162 L CB 2.092 44.001 42.059 -0.250 0.000 1.298 162 L HN 0.669 nan 8.230 nan 0.000 0.420 163 A N 2.544 125.531 122.820 0.278 0.000 2.359 163 A HA 0.787 5.106 4.320 -0.001 0.000 0.303 163 A C -1.593 175.981 177.584 -0.017 0.000 1.066 163 A CA -0.386 51.725 52.037 0.123 0.000 0.730 163 A CB 1.087 20.120 19.000 0.055 0.000 1.211 163 A HN 0.619 nan 8.150 nan 0.000 0.439 164 Y N -0.220 120.026 120.300 -0.090 0.000 2.609 164 Y HA 0.808 5.357 4.550 -0.001 0.000 0.342 164 Y C -1.163 174.739 175.900 0.004 0.000 1.058 164 Y CA -1.822 56.186 58.100 -0.153 0.000 1.055 164 Y CB 1.003 39.296 38.460 -0.279 0.000 1.292 164 Y HN 0.404 nan 8.280 nan 0.000 0.476 165 V N 1.905 122.008 119.914 0.314 0.000 2.555 165 V HA 0.443 4.563 4.120 -0.001 0.000 0.302 165 V C -1.464 174.863 176.094 0.388 0.000 1.038 165 V CA -0.644 61.823 62.300 0.278 0.000 0.887 165 V CB 1.479 33.358 31.823 0.093 0.000 0.991 165 V HN 0.887 nan 8.190 nan 0.000 0.434 166 W N 4.815 126.216 121.300 0.168 0.000 3.274 166 W HA 0.543 5.202 4.660 -0.001 0.000 0.327 166 W C 0.153 176.714 176.519 0.071 0.000 1.172 166 W CA -0.985 56.389 57.345 0.048 0.000 1.217 166 W CB 1.421 30.834 29.460 -0.079 0.000 1.376 166 W HN 0.510 nan 8.180 nan 0.000 0.507 167 K N 4.797 124.790 120.400 -0.678 0.000 3.016 167 K HA -0.324 3.996 4.320 -0.001 0.000 0.262 167 K C 0.216 176.659 176.600 -0.261 0.000 1.043 167 K CA 1.671 57.583 56.287 -0.625 0.000 0.761 167 K CB -1.596 30.360 32.500 -0.907 0.000 1.230 167 K HN 0.883 nan 8.250 nan 0.000 0.485 168 N N -0.403 118.197 118.700 -0.167 0.000 2.800 168 N HA -0.159 4.581 4.740 -0.001 0.000 0.250 168 N C -0.760 174.715 175.510 -0.058 0.000 1.078 168 N CA 1.710 54.683 53.050 -0.129 0.000 0.804 168 N CB -0.374 37.975 38.487 -0.231 0.000 1.135 168 N HN 0.462 nan 8.380 nan 0.000 0.565 169 D N -0.170 120.259 120.400 0.049 0.000 2.433 169 D HA 0.468 5.108 4.640 -0.001 0.000 0.236 169 D C 0.359 176.664 176.300 0.009 0.000 1.026 169 D CA -0.468 53.522 54.000 -0.018 0.000 0.884 169 D CB 1.417 42.190 40.800 -0.045 0.000 1.384 169 D HN -0.018 nan 8.370 nan 0.000 0.477 170 I N 1.809 122.198 120.570 -0.302 0.000 2.365 170 I HA 0.219 4.388 4.170 -0.001 0.000 0.291 170 I C -0.727 175.093 176.117 -0.496 0.000 1.004 170 I CA -0.400 60.700 61.300 -0.334 0.000 1.311 170 I CB 0.468 38.129 38.000 -0.564 0.000 1.401 170 I HN 0.149 nan 8.210 nan 0.000 0.491 171 Y N 4.418 124.409 120.300 -0.514 0.000 2.499 171 Y HA 0.641 5.191 4.550 -0.001 0.000 0.347 171 Y C -0.188 175.339 175.900 -0.622 0.000 0.987 171 Y CA -0.907 56.817 58.100 -0.628 0.000 1.044 171 Y CB 2.036 39.893 38.460 -1.005 0.000 1.245 171 Y HN 0.149 nan 8.280 nan 0.000 0.461 172 V N 2.839 122.640 119.914 -0.188 0.000 2.823 172 V HA 0.539 4.658 4.120 -0.001 0.000 0.312 172 V C -1.063 175.070 176.094 0.066 0.000 1.072 172 V CA -1.362 60.913 62.300 -0.041 0.000 0.937 172 V CB 2.354 34.195 31.823 0.029 0.000 1.013 172 V HN 0.634 nan 8.190 nan 0.000 0.430 173 K N 4.379 124.837 120.400 0.095 0.000 2.640 173 K HA 0.378 4.698 4.320 -0.001 0.000 0.245 173 K C 0.028 176.676 176.600 0.080 0.000 0.962 173 K CA -0.574 55.777 56.287 0.107 0.000 0.896 173 K CB 1.991 34.532 32.500 0.068 0.000 1.147 173 K HN 0.427 nan 8.250 nan 0.000 0.445 174 I N 1.001 121.617 120.570 0.076 0.000 2.530 174 I HA -0.231 3.938 4.170 -0.001 0.000 0.257 174 I C 0.652 176.798 176.117 0.049 0.000 1.179 174 I CA 1.287 62.601 61.300 0.023 0.000 1.440 174 I CB -0.388 37.615 38.000 0.006 0.000 1.087 174 I HN 0.645 nan 8.210 nan 0.000 0.440 175 E N -1.103 119.150 120.200 0.088 0.000 2.335 175 E HA 0.301 4.651 4.350 -0.001 0.000 0.280 175 E C -2.349 174.239 176.600 -0.021 0.000 0.918 175 E CA -1.648 54.825 56.400 0.122 0.000 0.765 175 E CB 1.595 31.409 29.700 0.190 0.000 1.218 175 E HN -0.292 nan 8.360 nan 0.000 0.425 176 P HA -0.216 nan 4.420 nan 0.000 0.218 176 P C 0.532 177.676 177.300 -0.259 0.000 1.150 176 P CA 1.388 64.272 63.100 -0.359 0.000 0.841 176 P CB 0.079 31.282 31.700 -0.829 0.000 0.784 177 H N -1.892 117.151 119.070 -0.046 0.000 2.482 177 H HA 0.137 4.693 4.556 -0.001 0.000 0.286 177 H C 1.194 176.528 175.328 0.011 0.000 1.017 177 H CA 0.386 56.437 56.048 0.006 0.000 1.322 177 H CB -0.331 29.451 29.762 0.033 0.000 1.426 177 H HN 0.170 nan 8.280 nan 0.000 0.546 178 L N 2.592 123.892 121.223 0.129 0.000 2.466 178 L HA 0.156 4.496 4.340 -0.001 0.000 0.257 178 L C -1.724 175.186 176.870 0.066 0.000 1.189 178 L CA -1.766 53.134 54.840 0.100 0.000 0.813 178 L CB 0.244 42.373 42.059 0.117 0.000 1.118 178 L HN -0.000 nan 8.230 nan 0.000 0.471 179 P HA 0.041 nan 4.420 nan 0.000 0.274 179 P C -0.659 176.645 177.300 0.007 0.000 1.246 179 P CA -0.386 62.713 63.100 -0.002 0.000 0.795 179 P CB 1.045 32.714 31.700 -0.051 0.000 1.006 180 S N 0.036 115.725 115.700 -0.018 0.000 2.580 180 S HA 0.173 4.642 4.470 -0.001 0.000 0.274 180 S C -0.242 174.309 174.600 -0.083 0.000 1.329 180 S CA -0.276 57.941 58.200 0.028 0.000 1.036 180 S CB -0.360 62.889 63.200 0.082 0.000 0.919 180 S HN 0.362 nan 8.310 nan 0.000 0.515 181 H N 3.137 122.212 119.070 0.009 0.000 2.762 181 H HA 0.221 4.777 4.556 -0.001 0.000 0.310 181 H C 0.049 175.301 175.328 -0.127 0.000 1.004 181 H CA -0.467 55.559 56.048 -0.035 0.000 1.267 181 H CB 0.812 30.549 29.762 -0.042 0.000 1.437 181 H HN 0.546 nan 8.280 nan 0.000 0.498 182 R N 3.442 123.875 120.500 -0.112 0.000 2.489 182 R HA 0.030 4.370 4.340 -0.001 0.000 0.287 182 R C 0.623 176.711 176.300 -0.353 0.000 1.053 182 R CA -0.046 55.787 56.100 -0.444 0.000 1.036 182 R CB 0.295 30.356 30.300 -0.399 0.000 0.966 182 R HN 0.529 nan 8.270 nan 0.000 0.432 183 I N 2.180 122.462 120.570 -0.480 0.000 3.172 183 I HA 0.009 4.179 4.170 -0.001 0.000 0.278 183 I C 0.975 176.866 176.117 -0.376 0.000 1.174 183 I CA 0.796 61.876 61.300 -0.367 0.000 1.445 183 I CB -0.475 37.274 38.000 -0.419 0.000 1.175 183 I HN 0.689 nan 8.210 nan 0.000 0.447 184 T N -1.457 112.825 114.554 -0.454 0.000 2.916 184 T HA 0.531 4.881 4.350 -0.001 0.000 0.292 184 T C 0.345 174.874 174.700 -0.287 0.000 1.055 184 T CA -0.159 61.729 62.100 -0.353 0.000 1.009 184 T CB 2.384 71.023 68.868 -0.381 0.000 1.118 184 T HN 0.115 nan 8.240 nan 0.000 0.497 185 S N -1.263 114.324 115.700 -0.188 0.000 2.817 185 S HA 0.106 4.576 4.470 -0.001 0.000 0.262 185 S C 1.503 176.052 174.600 -0.084 0.000 1.051 185 S CA 0.297 58.422 58.200 -0.125 0.000 1.185 185 S CB -0.427 62.714 63.200 -0.098 0.000 1.152 185 S HN 1.000 nan 8.310 nan 0.000 0.653 186 T N -0.326 114.175 114.554 -0.088 0.000 3.088 186 T HA 0.272 4.621 4.350 -0.001 0.000 0.259 186 T C 1.161 175.838 174.700 -0.040 0.000 1.122 186 T CA 0.455 62.525 62.100 -0.049 0.000 1.095 186 T CB -0.661 68.186 68.868 -0.035 0.000 0.930 186 T HN 0.491 nan 8.240 nan 0.000 0.508 187 G N 1.088 109.849 108.800 -0.065 0.000 2.353 187 G HA2 0.368 4.328 3.960 -0.001 0.000 0.239 187 G HA3 0.368 4.328 3.960 -0.001 0.000 0.239 187 G C -0.650 174.195 174.900 -0.092 0.000 1.295 187 G CA -0.464 44.588 45.100 -0.080 0.000 0.884 187 G HN 0.597 nan 8.290 nan 0.000 0.537 188 K N 1.752 122.078 120.400 -0.123 0.000 2.589 188 K HA 0.161 4.481 4.320 -0.001 0.000 0.253 188 K C -0.276 176.218 176.600 -0.178 0.000 0.974 188 K CA -0.688 55.531 56.287 -0.115 0.000 0.835 188 K CB 1.553 34.028 32.500 -0.041 0.000 1.272 188 K HN 0.671 nan 8.250 nan 0.000 0.444 189 E N 3.944 124.034 120.200 -0.183 0.000 2.820 189 E HA -0.170 4.180 4.350 -0.001 0.000 0.251 189 E C -0.450 176.075 176.600 -0.125 0.000 0.944 189 E CA 0.713 56.986 56.400 -0.212 0.000 0.955 189 E CB 0.082 29.683 29.700 -0.164 0.000 0.904 189 E HN 0.630 nan 8.360 nan 0.000 0.513 190 N N 2.298 120.891 118.700 -0.179 0.000 2.725 190 N HA -0.187 4.553 4.740 -0.001 0.000 0.249 190 N C -0.440 175.219 175.510 0.249 0.000 1.103 190 N CA 1.011 54.127 53.050 0.111 0.000 0.707 190 N CB -1.083 37.434 38.487 0.050 0.000 1.043 190 N HN 0.347 nan 8.380 nan 0.000 0.553 191 V N -1.893 118.108 119.914 0.144 0.000 4.397 191 V HA 0.257 4.377 4.120 -0.001 0.000 0.158 191 V C 0.223 176.487 176.094 0.284 0.000 1.309 191 V CA 0.235 62.670 62.300 0.226 0.000 1.184 191 V CB 0.622 32.523 31.823 0.129 0.000 1.330 191 V HN 0.051 nan 8.190 nan 0.000 0.607 192 I N 1.644 122.276 120.570 0.103 0.000 2.389 192 I HA 0.517 4.686 4.170 -0.001 0.000 0.288 192 I C -1.415 174.751 176.117 0.082 0.000 0.999 192 I CA -0.391 61.020 61.300 0.185 0.000 1.129 192 I CB 1.011 39.066 38.000 0.092 0.000 1.288 192 I HN 0.109 nan 8.210 nan 0.000 0.444 193 F N 4.941 124.995 119.950 0.173 0.000 2.426 193 F HA 0.432 4.959 4.527 -0.001 0.000 0.348 193 F C 0.541 176.429 175.800 0.146 0.000 1.124 193 F CA -0.728 57.383 58.000 0.184 0.000 1.008 193 F CB 1.053 40.243 39.000 0.318 0.000 1.139 193 F HN 0.312 nan 8.300 nan 0.000 0.452 194 N N 2.210 121.014 118.700 0.174 0.000 2.476 194 N HA 0.392 5.132 4.740 -0.001 0.000 0.257 194 N C 0.791 176.297 175.510 -0.006 0.000 0.970 194 N CA 0.145 53.236 53.050 0.067 0.000 0.938 194 N CB 1.808 40.240 38.487 -0.091 0.000 1.144 194 N HN 0.881 nan 8.380 nan 0.000 0.500 195 G N 1.632 110.458 108.800 0.043 0.000 2.159 195 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.256 195 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.256 195 G C 0.089 174.891 174.900 -0.163 0.000 0.977 195 G CA 0.714 45.766 45.100 -0.081 0.000 0.652 195 G HN 0.673 nan 8.290 nan 0.000 0.531 196 I N -3.981 116.571 120.570 -0.031 0.000 3.006 196 I HA 0.624 4.794 4.170 -0.001 0.000 0.306 196 I C -0.832 175.402 176.117 0.195 0.000 1.250 196 I CA -1.575 59.625 61.300 -0.167 0.000 0.996 196 I CB 1.643 39.352 38.000 -0.485 0.000 1.261 196 I HN -0.117 nan 8.210 nan 0.000 0.442 197 N N 2.741 121.517 118.700 0.125 0.000 2.495 197 N HA 0.222 4.962 4.740 -0.001 0.000 0.280 197 N C -0.972 174.396 175.510 -0.237 0.000 1.168 197 N CA -0.339 52.627 53.050 -0.140 0.000 0.978 197 N CB 1.096 39.561 38.487 -0.036 0.000 1.191 197 N HN 0.766 nan 8.380 nan 0.000 0.497 198 D N -0.683 119.210 120.400 -0.845 0.000 2.447 198 D HA -0.048 4.591 4.640 -0.001 0.000 0.265 198 D C 1.107 177.277 176.300 -0.217 0.000 1.250 198 D CA -0.460 52.960 54.000 -0.967 0.000 1.046 198 D CB 0.500 40.650 40.800 -1.082 0.000 1.095 198 D HN 0.526 nan 8.370 nan 0.000 0.555 199 W N 0.266 121.456 121.300 -0.184 0.000 2.315 199 W HA -0.239 4.420 4.660 -0.001 0.000 0.323 199 W C 2.287 178.650 176.519 -0.260 0.000 1.233 199 W CA 2.571 59.794 57.345 -0.204 0.000 1.267 199 W CB -0.595 28.683 29.460 -0.304 0.000 1.160 199 W HN 0.196 nan 8.180 nan 0.000 0.474 200 V N -0.063 119.900 119.914 0.082 0.000 2.343 200 V HA -0.320 3.799 4.120 -0.001 0.000 0.247 200 V C 1.995 177.913 176.094 -0.293 0.000 1.051 200 V CA 2.196 64.429 62.300 -0.112 0.000 1.036 200 V CB -0.844 30.960 31.823 -0.032 0.000 0.654 200 V HN 0.312 nan 8.190 nan 0.000 0.451 201 Y N 0.547 120.650 120.300 -0.329 0.000 2.224 201 Y HA -0.184 4.366 4.550 -0.001 0.000 0.289 201 Y C 2.679 178.439 175.900 -0.233 0.000 1.146 201 Y CA 2.173 60.087 58.100 -0.310 0.000 1.182 201 Y CB -0.193 37.987 38.460 -0.467 0.000 0.983 201 Y HN 0.340 nan 8.280 nan 0.000 0.524 202 E N 0.297 120.430 120.200 -0.112 0.000 2.077 202 E HA -0.285 4.064 4.350 -0.001 0.000 0.193 202 E C 1.921 178.414 176.600 -0.179 0.000 0.989 202 E CA 1.673 58.021 56.400 -0.087 0.000 0.800 202 E CB 0.074 29.718 29.700 -0.092 0.000 0.746 202 E HN 0.483 nan 8.360 nan 0.000 0.452 203 E N 0.171 120.098 120.200 -0.455 0.000 2.060 203 E HA -0.108 4.242 4.350 -0.001 0.000 0.189 203 E C 1.709 178.121 176.600 -0.314 0.000 0.974 203 E CA 1.199 57.318 56.400 -0.468 0.000 0.808 203 E CB 0.142 29.255 29.700 -0.978 0.000 0.768 203 E HN 0.120 nan 8.360 nan 0.000 0.453 204 E N -0.295 119.696 120.200 -0.348 0.000 2.415 204 E HA 0.077 4.426 4.350 -0.001 0.000 0.197 204 E C 1.546 177.953 176.600 -0.323 0.000 1.007 204 E CA 0.209 56.443 56.400 -0.278 0.000 0.890 204 E CB 0.664 30.203 29.700 -0.268 0.000 0.891 204 E HN 0.354 nan 8.360 nan 0.000 0.496 205 I N -0.935 119.398 120.570 -0.393 0.000 3.744 205 I HA 0.052 4.222 4.170 -0.001 0.000 0.240 205 I C 1.874 177.759 176.117 -0.387 0.000 1.096 205 I CA 0.407 61.401 61.300 -0.509 0.000 1.558 205 I CB -1.147 36.352 38.000 -0.835 0.000 1.531 205 I HN -0.067 nan 8.210 nan 0.000 0.459 206 F N 1.677 121.615 119.950 -0.020 0.000 2.661 206 F HA 0.168 4.694 4.527 -0.001 0.000 0.298 206 F C 1.943 177.698 175.800 -0.074 0.000 1.137 206 F CA 0.841 58.852 58.000 0.018 0.000 1.454 206 F CB -0.255 38.806 39.000 0.103 0.000 1.103 206 F HN 0.416 nan 8.300 nan 0.000 0.577 207 G N 0.564 109.356 108.800 -0.013 0.000 2.196 207 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.268 207 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.268 207 G C 0.127 174.661 174.900 -0.609 0.000 0.975 207 G CA 0.182 45.162 45.100 -0.200 0.000 0.648 207 G HN 0.792 nan 8.290 nan 0.000 0.538 208 A N -2.384 120.257 122.820 -0.299 0.000 2.588 208 A HA 0.731 5.050 4.320 -0.001 0.000 0.290 208 A C 0.189 177.736 177.584 -0.062 0.000 1.136 208 A CA 0.371 52.225 52.037 -0.304 0.000 0.681 208 A CB 0.202 19.048 19.000 -0.256 0.000 1.282 208 A HN 0.824 nan 8.150 nan 0.000 0.421 209 Y N 0.939 121.085 120.300 -0.258 0.000 2.314 209 Y HA 0.136 4.685 4.550 -0.001 0.000 0.294 209 Y C 1.716 177.311 175.900 -0.508 0.000 1.119 209 Y CA 1.008 58.948 58.100 -0.268 0.000 1.179 209 Y CB -0.257 38.072 38.460 -0.218 0.000 1.025 209 Y HN 0.639 nan 8.280 nan 0.000 0.541 210 S N 0.430 115.605 115.700 -0.875 0.000 2.558 210 S HA 0.315 4.785 4.470 -0.001 0.000 0.291 210 S C 0.450 174.539 174.600 -0.851 0.000 1.306 210 S CA 0.410 57.855 58.200 -1.258 0.000 1.056 210 S CB 0.342 62.651 63.200 -1.485 0.000 0.836 210 S HN 0.449 nan 8.310 nan 0.000 0.504 211 A N 5.182 127.487 122.820 -0.858 0.000 2.573 211 A HA 0.464 4.784 4.320 -0.001 0.000 0.269 211 A C -0.394 176.554 177.584 -1.060 0.000 0.901 211 A CA -0.474 51.013 52.037 -0.917 0.000 1.066 211 A CB 0.058 18.913 19.000 -0.243 0.000 1.221 211 A HN 0.682 nan 8.150 nan 0.000 0.483 212 L N -0.126 120.407 121.223 -1.151 0.000 2.333 212 L HA 0.672 5.011 4.340 -0.001 0.000 0.269 212 L C -0.966 175.388 176.870 -0.860 0.000 1.010 212 L CA -0.724 53.712 54.840 -0.674 0.000 0.818 212 L CB 1.831 43.728 42.059 -0.269 0.000 1.306 212 L HN 0.404 nan 8.230 nan 0.000 0.430 213 W N 1.686 123.028 121.300 0.071 0.000 2.822 213 W HA 0.171 4.831 4.660 -0.001 0.000 0.317 213 W C -1.422 175.308 176.519 0.352 0.000 1.033 213 W CA -1.120 56.391 57.345 0.277 0.000 1.252 213 W CB 0.988 30.657 29.460 0.349 0.000 1.186 213 W HN 0.485 nan 8.180 nan 0.000 0.383 214 W N 2.812 124.311 121.300 0.333 0.000 2.216 214 W HA 0.251 4.911 4.660 -0.000 0.000 0.326 214 W C 1.349 177.710 176.519 -0.264 0.000 1.319 214 W CA 0.469 57.870 57.345 0.093 0.000 1.213 214 W CB 0.909 30.397 29.460 0.046 0.000 1.171 214 W HN 0.162 nan 8.180 nan 0.000 0.557 215 S N 3.839 119.269 115.700 -0.449 0.000 2.614 215 S HA 0.469 4.939 4.470 -0.001 0.000 0.265 215 S C -2.349 171.964 174.600 -0.480 0.000 1.303 215 S CA -1.380 55.958 58.200 -1.437 0.000 1.000 215 S CB 1.047 63.283 63.200 -1.608 0.000 0.935 215 S HN 0.156 nan 8.310 nan 0.000 0.551 216 P HA 0.265 nan 4.420 nan 0.000 0.273 216 P C 0.094 177.335 177.300 -0.098 0.000 1.250 216 P CA -0.169 62.872 63.100 -0.099 0.000 0.793 216 P CB 0.116 31.815 31.700 -0.001 0.000 1.011 217 N N -0.505 118.158 118.700 -0.061 0.000 2.690 217 N HA -0.203 4.537 4.740 -0.001 0.000 0.249 217 N C 0.685 176.131 175.510 -0.106 0.000 1.125 217 N CA 1.618 54.627 53.050 -0.069 0.000 0.794 217 N CB -1.845 36.617 38.487 -0.042 0.000 1.152 217 N HN 0.892 nan 8.380 nan 0.000 0.571 218 G N -0.452 108.281 108.800 -0.112 0.000 2.451 218 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.296 218 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.296 218 G C 1.023 175.897 174.900 -0.043 0.000 0.922 218 G CA 1.457 46.511 45.100 -0.077 0.000 1.074 218 G HN 0.490 nan 8.290 nan 0.000 0.509 219 T N -0.562 113.913 114.554 -0.130 0.000 2.818 219 T HA 0.274 4.623 4.350 -0.001 0.000 0.246 219 T C 1.025 175.558 174.700 -0.278 0.000 1.036 219 T CA 0.820 62.731 62.100 -0.315 0.000 1.160 219 T CB 0.001 68.474 68.868 -0.658 0.000 0.869 219 T HN 0.287 nan 8.240 nan 0.000 0.419 220 F N 0.740 120.701 119.950 0.018 0.000 2.380 220 F HA 0.621 5.147 4.527 -0.001 0.000 0.321 220 F C -0.151 175.678 175.800 0.048 0.000 1.103 220 F CA -1.307 56.738 58.000 0.074 0.000 1.067 220 F CB 0.648 39.769 39.000 0.203 0.000 1.265 220 F HN -0.052 nan 8.300 nan 0.000 0.517 221 L N 1.985 123.331 121.223 0.205 0.000 2.446 221 L HA 0.727 5.067 4.340 -0.001 0.000 0.268 221 L C -0.822 176.107 176.870 0.099 0.000 0.975 221 L CA -0.761 54.012 54.840 -0.112 0.000 0.848 221 L CB 0.707 42.383 42.059 -0.640 0.000 1.225 221 L HN 0.654 nan 8.230 nan 0.000 0.410 222 A N 4.803 127.776 122.820 0.255 0.000 2.306 222 A HA 0.779 5.099 4.320 -0.001 0.000 0.314 222 A C -1.311 176.333 177.584 0.101 0.000 1.164 222 A CA -0.236 51.825 52.037 0.041 0.000 0.822 222 A CB 0.479 19.515 19.000 0.060 0.000 1.130 222 A HN 0.904 nan 8.150 nan 0.000 0.496 223 Y N -1.217 118.897 120.300 -0.311 0.000 2.625 223 Y HA 0.800 5.350 4.550 -0.001 0.000 0.338 223 Y C -0.258 175.517 175.900 -0.209 0.000 1.123 223 Y CA -0.947 57.057 58.100 -0.159 0.000 1.046 223 Y CB 0.994 39.338 38.460 -0.193 0.000 1.299 223 Y HN 0.885 nan 8.280 nan 0.000 0.464 224 A N 1.746 124.610 122.820 0.073 0.000 2.330 224 A HA 0.717 5.037 4.320 -0.001 0.000 0.329 224 A C -1.318 176.166 177.584 -0.166 0.000 1.135 224 A CA -0.868 51.102 52.037 -0.113 0.000 0.817 224 A CB 1.869 20.808 19.000 -0.103 0.000 1.269 224 A HN 0.817 nan 8.150 nan 0.000 0.469 225 Q N 0.967 120.551 119.800 -0.360 0.000 2.274 225 Q HA 0.576 4.916 4.340 -0.001 0.000 0.268 225 Q C -2.163 173.618 176.000 -0.366 0.000 1.015 225 Q CA -0.316 55.394 55.803 -0.155 0.000 0.775 225 Q CB 1.130 30.007 28.738 0.231 0.000 1.256 225 Q HN 0.598 nan 8.270 nan 0.000 0.442 226 F N 2.231 122.274 119.950 0.155 0.000 2.469 226 F HA 0.441 4.967 4.527 -0.001 0.000 0.332 226 F C 0.430 176.357 175.800 0.212 0.000 1.103 226 F CA -0.958 57.091 58.000 0.082 0.000 0.979 226 F CB 1.337 40.262 39.000 -0.124 0.000 1.137 226 F HN 0.424 nan 8.300 nan 0.000 0.463 227 N N 1.920 120.815 118.700 0.326 0.000 2.446 227 N HA 0.183 4.923 4.740 -0.001 0.000 0.265 227 N C -0.407 175.257 175.510 0.257 0.000 0.975 227 N CA -0.224 52.991 53.050 0.275 0.000 0.928 227 N CB 1.033 39.631 38.487 0.186 0.000 1.160 227 N HN 0.547 nan 8.380 nan 0.000 0.495 228 D N 1.713 122.290 120.400 0.295 0.000 2.349 228 D HA 0.059 4.698 4.640 -0.001 0.000 0.214 228 D C 1.195 177.616 176.300 0.202 0.000 1.063 228 D CA 0.234 54.382 54.000 0.246 0.000 0.847 228 D CB 0.392 41.385 40.800 0.321 0.000 0.933 228 D HN 0.526 nan 8.370 nan 0.000 0.513 229 T N -0.189 114.475 114.554 0.183 0.000 2.635 229 T HA -0.226 4.123 4.350 -0.001 0.000 0.265 229 T C 1.677 176.446 174.700 0.115 0.000 1.058 229 T CA 2.018 64.202 62.100 0.140 0.000 1.162 229 T CB -0.248 68.688 68.868 0.114 0.000 0.859 229 T HN 0.340 nan 8.240 nan 0.000 0.449 230 G N 0.109 108.971 108.800 0.103 0.000 3.042 230 G HA2 0.322 4.281 3.960 -0.001 0.000 0.212 230 G HA3 0.322 4.281 3.960 -0.001 0.000 0.212 230 G C 0.266 175.219 174.900 0.088 0.000 1.166 230 G CA -0.224 44.926 45.100 0.082 0.000 0.767 230 G HN 0.432 nan 8.290 nan 0.000 0.546 231 V N 2.221 122.202 119.914 0.112 0.000 2.508 231 V HA 0.171 4.291 4.120 -0.001 0.000 0.281 231 V C -1.614 174.550 176.094 0.117 0.000 1.041 231 V CA -1.341 61.029 62.300 0.117 0.000 1.016 231 V CB 1.436 33.342 31.823 0.138 0.000 0.984 231 V HN 0.087 nan 8.190 nan 0.000 0.478 232 P HA 0.180 nan 4.420 nan 0.000 0.270 232 P C -0.666 176.688 177.300 0.091 0.000 1.227 232 P CA -0.038 63.109 63.100 0.078 0.000 0.788 232 P CB 0.489 32.229 31.700 0.066 0.000 0.926 233 L N 1.340 122.597 121.223 0.057 0.000 2.333 233 L HA 0.603 4.942 4.340 -0.001 0.000 0.269 233 L C 0.119 176.969 176.870 -0.032 0.000 1.010 233 L CA -1.039 53.840 54.840 0.065 0.000 0.818 233 L CB 1.286 43.407 42.059 0.103 0.000 1.306 233 L HN 0.289 nan 8.230 nan 0.000 0.430 234 I N -1.247 119.270 120.570 -0.089 0.000 2.433 234 I HA 0.525 4.694 4.170 -0.001 0.000 0.292 234 I C -0.798 175.227 176.117 -0.152 0.000 1.001 234 I CA -0.378 60.764 61.300 -0.263 0.000 1.119 234 I CB 1.886 39.484 38.000 -0.670 0.000 1.289 234 I HN 0.498 nan 8.210 nan 0.000 0.438 235 E N 5.785 125.904 120.200 -0.136 0.000 2.220 235 E HA 0.331 4.680 4.350 -0.001 0.000 0.256 235 E C -1.737 174.811 176.600 -0.086 0.000 0.881 235 E CA -0.728 55.612 56.400 -0.099 0.000 0.766 235 E CB 1.804 31.472 29.700 -0.052 0.000 1.187 235 E HN 0.689 nan 8.360 nan 0.000 0.419 236 Y N -0.426 119.829 120.300 -0.075 0.000 2.487 236 Y HA 0.659 5.208 4.550 -0.001 0.000 0.337 236 Y C -0.163 175.695 175.900 -0.069 0.000 1.076 236 Y CA -1.212 56.833 58.100 -0.091 0.000 1.115 236 Y CB 1.032 39.451 38.460 -0.068 0.000 1.235 236 Y HN 0.069 nan 8.280 nan 0.000 0.468 237 S N 2.463 118.196 115.700 0.055 0.000 2.585 237 S HA 0.483 4.952 4.470 -0.001 0.000 0.277 237 S C -1.425 173.082 174.600 -0.156 0.000 1.241 237 S CA -0.490 57.620 58.200 -0.149 0.000 1.041 237 S CB 0.474 63.463 63.200 -0.352 0.000 0.987 237 S HN 0.578 nan 8.310 nan 0.000 0.512 238 F N 1.754 121.479 119.950 -0.374 0.000 2.520 238 F HA 0.475 5.002 4.527 -0.001 0.000 0.322 238 F C -0.344 175.212 175.800 -0.405 0.000 1.103 238 F CA -0.806 57.042 58.000 -0.254 0.000 0.926 238 F CB 1.003 39.992 39.000 -0.019 0.000 1.154 238 F HN 0.662 nan 8.300 nan 0.000 0.453 239 Y N 2.395 122.479 120.300 -0.361 0.000 2.524 239 Y HA 0.199 4.748 4.550 -0.001 0.000 0.270 239 Y C 1.563 177.389 175.900 -0.123 0.000 1.094 239 Y CA 0.779 58.771 58.100 -0.179 0.000 1.276 239 Y CB -0.533 37.821 38.460 -0.177 0.000 1.130 239 Y HN 0.722 nan 8.280 nan 0.000 0.536 240 S N 0.151 115.755 115.700 -0.160 0.000 3.238 240 S HA -0.232 4.237 4.470 -0.001 0.000 0.635 240 S C -0.388 174.261 174.600 0.081 0.000 2.771 240 S CA 0.315 58.571 58.200 0.094 0.000 2.973 240 S CB -0.992 62.384 63.200 0.294 0.000 0.332 240 S HN 0.495 nan 8.310 nan 0.000 1.788 241 D N 1.952 122.416 120.400 0.106 0.000 2.515 241 D HA 0.021 4.660 4.640 -0.001 0.000 0.230 241 D C 1.511 177.848 176.300 0.061 0.000 1.181 241 D CA 0.906 54.951 54.000 0.075 0.000 0.875 241 D CB 0.104 40.949 40.800 0.075 0.000 1.213 241 D HN 0.720 nan 8.370 nan 0.000 0.478 242 E N -0.672 119.553 120.200 0.041 0.000 2.478 242 E HA -0.126 4.224 4.350 -0.001 0.000 0.198 242 E C 1.127 177.745 176.600 0.031 0.000 1.046 242 E CA 0.528 56.945 56.400 0.028 0.000 0.870 242 E CB -0.067 29.641 29.700 0.014 0.000 0.818 242 E HN 0.300 nan 8.360 nan 0.000 0.527 243 S N 0.479 116.204 115.700 0.042 0.000 2.527 243 S HA -0.003 4.466 4.470 -0.001 0.000 0.222 243 S C 0.805 175.438 174.600 0.055 0.000 0.985 243 S CA -0.426 57.799 58.200 0.042 0.000 0.921 243 S CB -0.177 63.049 63.200 0.043 0.000 0.772 243 S HN 0.272 nan 8.310 nan 0.000 0.529 244 L N 2.802 124.066 121.223 0.069 0.000 2.342 244 L HA 0.361 4.701 4.340 -0.001 0.000 0.285 244 L C 1.360 178.276 176.870 0.076 0.000 1.095 244 L CA 0.028 54.922 54.840 0.089 0.000 0.843 244 L CB 0.604 42.731 42.059 0.114 0.000 1.201 244 L HN 0.300 nan 8.230 nan 0.000 0.445 245 Q N 4.107 123.955 119.800 0.080 0.000 2.020 245 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 245 Q C -0.468 175.487 176.000 -0.075 0.000 0.982 245 Q CA 1.612 57.421 55.803 0.010 0.000 0.838 245 Q CB 0.032 28.808 28.738 0.063 0.000 0.899 245 Q HN 0.661 nan 8.270 nan 0.000 0.423 246 Y N 1.502 121.824 120.300 0.036 0.000 2.342 246 Y HA 0.355 4.904 4.550 -0.001 0.000 0.338 246 Y C -2.037 173.886 175.900 0.038 0.000 0.965 246 Y CA -3.031 55.088 58.100 0.032 0.000 1.159 246 Y CB 1.152 39.622 38.460 0.018 0.000 1.157 246 Y HN 0.222 nan 8.280 nan 0.000 0.486 247 P HA 0.013 nan 4.420 nan 0.000 0.267 247 P C -0.450 176.880 177.300 0.050 0.000 1.205 247 P CA -0.218 62.926 63.100 0.074 0.000 0.765 247 P CB 0.982 32.690 31.700 0.014 0.000 0.828 248 K N 1.903 122.341 120.400 0.062 0.000 2.187 248 K HA 0.300 4.620 4.320 -0.001 0.000 0.247 248 K C 0.415 177.015 176.600 -0.001 0.000 1.019 248 K CA 0.175 56.495 56.287 0.054 0.000 0.893 248 K CB 0.055 32.604 32.500 0.083 0.000 1.025 248 K HN 0.405 nan 8.250 nan 0.000 0.500 249 T N 0.412 114.965 114.554 -0.002 0.000 2.881 249 T HA 0.350 4.699 4.350 -0.001 0.000 0.290 249 T C -0.825 173.850 174.700 -0.041 0.000 1.000 249 T CA -0.669 61.408 62.100 -0.037 0.000 0.978 249 T CB 1.645 70.509 68.868 -0.008 0.000 0.997 249 T HN 0.154 nan 8.240 nan 0.000 0.443 250 V N 4.971 124.740 119.914 -0.241 0.000 2.384 250 V HA 0.589 4.709 4.120 -0.001 0.000 0.287 250 V C -0.552 175.376 176.094 -0.277 0.000 1.020 250 V CA -0.922 61.161 62.300 -0.362 0.000 0.850 250 V CB 1.078 32.476 31.823 -0.709 0.000 0.987 250 V HN 0.808 nan 8.190 nan 0.000 0.436 251 W N 5.008 126.179 121.300 -0.215 0.000 2.639 251 W HA 0.906 5.566 4.660 -0.001 0.000 0.347 251 W C -1.152 175.347 176.519 -0.033 0.000 1.067 251 W CA -1.802 55.457 57.345 -0.144 0.000 1.218 251 W CB 1.129 30.534 29.460 -0.093 0.000 1.393 251 W HN 0.339 nan 8.180 nan 0.000 0.557 252 I N 2.939 123.594 120.570 0.141 0.000 2.649 252 I HA 0.174 4.343 4.170 -0.001 0.000 0.289 252 I C -2.379 173.828 176.117 0.150 0.000 1.222 252 I CA -2.247 59.114 61.300 0.101 0.000 1.046 252 I CB 3.123 41.106 38.000 -0.028 0.000 1.272 252 I HN -0.024 nan 8.210 nan 0.000 0.425 253 P HA 0.032 nan 4.420 nan 0.000 0.269 253 P C -1.465 175.934 177.300 0.166 0.000 1.252 253 P CA 0.350 63.577 63.100 0.213 0.000 0.780 253 P CB 0.035 31.892 31.700 0.261 0.000 0.829 254 Y N 6.897 127.179 120.300 -0.031 0.000 2.329 254 Y HA 0.409 4.958 4.550 -0.001 0.000 0.328 254 Y C -2.434 173.453 175.900 -0.022 0.000 0.992 254 Y CA -2.863 55.172 58.100 -0.109 0.000 1.151 254 Y CB 2.560 40.848 38.460 -0.287 0.000 1.150 254 Y HN 0.255 nan 8.280 nan 0.000 0.450 255 P HA 0.240 nan 4.420 nan 0.000 0.292 255 P C -1.340 176.114 177.300 0.258 0.000 1.326 255 P CA -0.368 62.843 63.100 0.185 0.000 0.787 255 P CB 1.594 33.354 31.700 0.100 0.000 0.903 256 K N 2.008 122.594 120.400 0.309 0.000 2.107 256 K HA 0.498 4.818 4.320 -0.001 0.000 0.251 256 K C 0.583 177.312 176.600 0.215 0.000 1.012 256 K CA -0.668 55.802 56.287 0.304 0.000 0.920 256 K CB 0.608 33.260 32.500 0.253 0.000 1.033 256 K HN 0.473 nan 8.250 nan 0.000 0.478 257 A N 0.908 123.876 122.820 0.247 0.000 2.608 257 A HA 0.187 4.507 4.320 -0.001 0.000 0.239 257 A C 1.288 178.933 177.584 0.102 0.000 1.018 257 A CA 1.140 53.305 52.037 0.214 0.000 0.766 257 A CB -1.164 18.049 19.000 0.356 0.000 0.928 257 A HN 0.947 nan 8.150 nan 0.000 0.512 258 G N 0.802 109.644 108.800 0.071 0.000 2.189 258 G HA2 0.080 4.040 3.960 -0.001 0.000 0.267 258 G HA3 0.080 4.040 3.960 -0.001 0.000 0.267 258 G C 0.697 175.617 174.900 0.033 0.000 0.975 258 G CA 1.063 46.174 45.100 0.019 0.000 0.644 258 G HN 2.266 nan 8.290 nan 0.000 0.537 259 A N -0.555 122.303 122.820 0.063 0.000 2.246 259 A HA 0.757 5.077 4.320 -0.001 0.000 0.291 259 A C 0.818 178.438 177.584 0.060 0.000 1.103 259 A CA 0.218 52.293 52.037 0.063 0.000 0.844 259 A CB 0.845 19.898 19.000 0.088 0.000 1.136 259 A HN 1.121 nan 8.150 nan 0.000 0.500 260 V N 2.531 122.479 119.914 0.057 0.000 2.493 260 V HA -0.011 4.108 4.120 -0.001 0.000 0.292 260 V C 0.273 176.407 176.094 0.067 0.000 1.016 260 V CA 0.181 62.513 62.300 0.053 0.000 1.097 260 V CB -0.415 31.441 31.823 0.054 0.000 0.947 260 V HN 0.799 nan 8.190 nan 0.000 0.479 261 N N 7.017 125.748 118.700 0.051 0.000 2.495 261 N HA 0.463 5.202 4.740 -0.001 0.000 0.280 261 N C -2.331 173.231 175.510 0.086 0.000 1.168 261 N CA -1.451 51.638 53.050 0.066 0.000 0.978 261 N CB 1.119 39.615 38.487 0.016 0.000 1.191 261 N HN 0.387 nan 8.380 nan 0.000 0.497 262 P HA 0.084 nan 4.420 nan 0.000 0.272 262 P C -0.447 176.956 177.300 0.172 0.000 1.223 262 P CA -0.134 63.070 63.100 0.172 0.000 0.784 262 P CB 0.411 32.227 31.700 0.193 0.000 0.923 263 T N -1.367 113.283 114.554 0.160 0.000 2.952 263 T HA 0.634 4.984 4.350 -0.001 0.000 0.286 263 T C 0.003 174.786 174.700 0.138 0.000 1.024 263 T CA -0.668 61.495 62.100 0.106 0.000 1.029 263 T CB 0.999 69.916 68.868 0.083 0.000 1.094 263 T HN 0.227 nan 8.240 nan 0.000 0.515 264 V N 0.362 120.318 119.914 0.070 0.000 3.074 264 V HA 0.768 4.888 4.120 -0.001 0.000 0.314 264 V C -0.464 175.639 176.094 0.015 0.000 1.117 264 V CA -1.160 61.143 62.300 0.004 0.000 1.014 264 V CB 2.021 33.888 31.823 0.073 0.000 1.057 264 V HN 1.002 nan 8.190 nan 0.000 0.438 265 K N 1.169 121.519 120.400 -0.084 0.000 2.546 265 K HA 0.575 4.895 4.320 -0.001 0.000 0.264 265 K C -2.057 174.364 176.600 -0.298 0.000 0.937 265 K CA -0.492 55.690 56.287 -0.176 0.000 0.833 265 K CB 2.882 35.268 32.500 -0.189 0.000 1.378 265 K HN 0.558 nan 8.250 nan 0.000 0.432 266 F N 2.902 122.480 119.950 -0.621 0.000 2.507 266 F HA 0.604 5.130 4.527 -0.001 0.000 0.325 266 F C -1.426 173.803 175.800 -0.952 0.000 1.116 266 F CA -0.574 57.068 58.000 -0.597 0.000 0.930 266 F CB 0.811 39.642 39.000 -0.281 0.000 1.146 266 F HN 0.392 nan 8.300 nan 0.000 0.447 267 F N 5.309 124.551 119.950 -1.180 0.000 2.620 267 F HA 0.718 5.245 4.527 -0.001 0.000 0.320 267 F C -0.778 174.399 175.800 -1.038 0.000 1.069 267 F CA -1.042 56.366 58.000 -0.986 0.000 0.953 267 F CB 1.991 40.353 39.000 -1.063 0.000 1.322 267 F HN 0.117 nan 8.300 nan 0.000 0.479 268 I N 2.203 122.580 120.570 -0.321 0.000 2.534 268 I HA 0.437 4.606 4.170 -0.001 0.000 0.288 268 I C -1.441 174.752 176.117 0.126 0.000 1.077 268 I CA -0.906 60.285 61.300 -0.181 0.000 1.051 268 I CB 2.122 39.855 38.000 -0.444 0.000 1.234 268 I HN 0.310 nan 8.210 nan 0.000 0.425 269 V N 6.363 126.408 119.914 0.218 0.000 2.581 269 V HA 0.438 4.558 4.120 -0.001 0.000 0.303 269 V C -0.363 175.902 176.094 0.286 0.000 1.041 269 V CA -0.494 61.946 62.300 0.233 0.000 0.907 269 V CB 2.074 33.985 31.823 0.146 0.000 0.994 269 V HN 0.791 nan 8.190 nan 0.000 0.442 270 N N 4.119 122.980 118.700 0.268 0.000 2.402 270 N HA 0.114 4.854 4.740 -0.001 0.000 0.252 270 N C 0.867 176.395 175.510 0.031 0.000 1.118 270 N CA 0.461 53.604 53.050 0.154 0.000 0.945 270 N CB 1.520 40.089 38.487 0.137 0.000 1.147 270 N HN 0.800 nan 8.380 nan 0.000 0.495 271 T N 2.168 116.725 114.554 0.005 0.000 2.867 271 T HA -0.083 4.267 4.350 -0.001 0.000 0.268 271 T C 0.728 175.400 174.700 -0.046 0.000 1.057 271 T CA 0.931 63.038 62.100 0.013 0.000 1.136 271 T CB 0.073 69.040 68.868 0.165 0.000 0.874 271 T HN 0.519 nan 8.240 nan 0.000 0.466 272 D N 1.112 121.462 120.400 -0.083 0.000 2.263 272 D HA -0.067 4.573 4.640 -0.001 0.000 0.208 272 D C 2.415 178.672 176.300 -0.072 0.000 0.971 272 D CA 1.197 55.144 54.000 -0.088 0.000 0.867 272 D CB -0.232 40.501 40.800 -0.111 0.000 0.929 272 D HN 0.537 nan 8.370 nan 0.000 0.492 273 S N 0.409 116.074 115.700 -0.058 0.000 2.395 273 S HA -0.060 4.410 4.470 -0.001 0.000 0.225 273 S C 2.245 176.804 174.600 -0.068 0.000 1.027 273 S CA 0.082 58.258 58.200 -0.040 0.000 0.965 273 S CB -0.600 62.597 63.200 -0.004 0.000 0.812 273 S HN 0.221 nan 8.310 nan 0.000 0.482 274 L N 2.211 123.358 121.223 -0.127 0.000 2.201 274 L HA -0.336 4.003 4.340 -0.001 0.000 0.233 274 L C 2.965 179.720 176.870 -0.191 0.000 1.115 274 L CA 2.214 56.901 54.840 -0.254 0.000 0.840 274 L CB -1.770 39.944 42.059 -0.575 0.000 0.924 274 L HN 0.671 nan 8.230 nan 0.000 0.450 275 S N -1.125 114.485 115.700 -0.151 0.000 2.442 275 S HA -0.122 4.348 4.470 -0.001 0.000 0.236 275 S C 1.632 176.262 174.600 0.049 0.000 1.007 275 S CA 1.088 59.292 58.200 0.007 0.000 0.965 275 S CB -0.431 62.770 63.200 0.002 0.000 0.773 275 S HN 0.617 nan 8.310 nan 0.000 0.504 276 S N 0.107 115.819 115.700 0.021 0.000 2.582 276 S HA 0.413 4.883 4.470 -0.001 0.000 0.234 276 S C 0.189 174.810 174.600 0.035 0.000 0.961 276 S CA -0.455 57.761 58.200 0.028 0.000 0.953 276 S CB -0.096 63.114 63.200 0.016 0.000 0.800 276 S HN 0.448 nan 8.310 nan 0.000 0.471 277 T N 0.340 114.924 114.554 0.050 0.000 2.731 277 T HA 0.443 4.792 4.350 -0.001 0.000 0.300 277 T C 0.881 175.620 174.700 0.066 0.000 1.283 277 T CA -0.172 61.956 62.100 0.047 0.000 1.005 277 T CB 1.393 70.284 68.868 0.038 0.000 1.420 277 T HN 0.190 nan 8.240 nan 0.000 0.503 278 T N -1.892 112.689 114.554 0.045 0.000 3.034 278 T HA 0.286 4.636 4.350 -0.001 0.000 0.248 278 T C 0.527 175.246 174.700 0.032 0.000 1.040 278 T CA 0.258 62.380 62.100 0.037 0.000 1.107 278 T CB 0.087 68.966 68.868 0.017 0.000 0.932 278 T HN 0.601 nan 8.240 nan 0.000 0.474 279 T N 1.650 116.219 114.554 0.024 0.000 2.912 279 T HA 0.609 4.958 4.350 -0.001 0.000 0.299 279 T C -1.160 173.547 174.700 0.011 0.000 1.052 279 T CA -0.607 61.496 62.100 0.007 0.000 0.996 279 T CB 2.168 71.031 68.868 -0.008 0.000 1.070 279 T HN 0.098 nan 8.240 nan 0.000 0.465 280 T N 2.226 116.781 114.554 0.000 0.000 2.863 280 T HA 0.571 4.920 4.350 -0.001 0.000 0.285 280 T C -0.135 174.571 174.700 0.010 0.000 1.009 280 T CA -0.602 61.505 62.100 0.013 0.000 0.989 280 T CB 0.832 69.707 68.868 0.012 0.000 1.004 280 T HN 0.461 nan 8.240 nan 0.000 0.455 281 I N 5.438 126.029 120.570 0.036 0.000 2.291 281 I HA 0.244 4.414 4.170 -0.001 0.000 0.290 281 I C -1.604 174.561 176.117 0.081 0.000 1.050 281 I CA -2.039 59.285 61.300 0.041 0.000 1.245 281 I CB 1.015 39.046 38.000 0.051 0.000 1.405 281 I HN 0.371 nan 8.210 nan 0.000 0.478 282 P HA 0.085 nan 4.420 nan 0.000 0.269 282 P C -0.866 176.553 177.300 0.198 0.000 1.209 282 P CA -0.140 63.033 63.100 0.122 0.000 0.776 282 P CB 0.729 32.456 31.700 0.045 0.000 0.876 283 M N 0.825 120.578 119.600 0.255 0.000 2.300 283 M HA 0.442 4.922 4.480 -0.001 0.000 0.348 283 M C 0.053 176.495 176.300 0.237 0.000 1.151 283 M CA -0.810 54.657 55.300 0.278 0.000 1.046 283 M CB 1.683 34.511 32.600 0.379 0.000 1.647 283 M HN 0.336 nan 8.290 nan 0.000 0.451 284 Q N 3.060 122.974 119.800 0.189 0.000 2.274 284 Q HA 0.644 4.984 4.340 -0.001 0.000 0.260 284 Q C -1.788 174.170 176.000 -0.070 0.000 0.974 284 Q CA -0.619 55.140 55.803 -0.074 0.000 0.876 284 Q CB 1.852 30.490 28.738 -0.167 0.000 1.297 284 Q HN 0.905 nan 8.270 nan 0.000 0.446 285 I N 3.509 124.011 120.570 -0.114 0.000 2.336 285 I HA 0.250 4.419 4.170 -0.001 0.000 0.292 285 I C -0.028 176.045 176.117 -0.073 0.000 0.991 285 I CA -0.749 60.540 61.300 -0.017 0.000 1.227 285 I CB 1.797 39.834 38.000 0.062 0.000 1.366 285 I HN 0.724 nan 8.210 nan 0.000 0.466 286 T N 3.255 117.741 114.554 -0.113 0.000 2.799 286 T HA 0.668 5.018 4.350 -0.001 0.000 0.286 286 T C 0.285 174.758 174.700 -0.377 0.000 0.973 286 T CA -0.845 61.131 62.100 -0.207 0.000 1.035 286 T CB 1.607 70.375 68.868 -0.168 0.000 0.932 286 T HN 0.642 nan 8.240 nan 0.000 0.469 287 A N 4.809 127.200 122.820 -0.715 0.000 2.521 287 A HA 0.449 4.769 4.320 -0.001 0.000 0.237 287 A C -1.771 175.332 177.584 -0.802 0.000 1.087 287 A CA -1.130 50.069 52.037 -1.396 0.000 0.777 287 A CB -0.791 17.000 19.000 -2.015 0.000 1.035 287 A HN 0.805 nan 8.150 nan 0.000 0.510 288 P HA 0.206 nan 4.420 nan 0.000 0.271 288 P C 0.713 177.821 177.300 -0.320 0.000 1.216 288 P CA 0.583 63.453 63.100 -0.383 0.000 0.771 288 P CB 1.076 32.630 31.700 -0.244 0.000 0.864 289 A N 4.182 126.867 122.820 -0.226 0.000 1.940 289 A HA -0.238 4.082 4.320 -0.001 0.000 0.221 289 A C 1.766 179.239 177.584 -0.185 0.000 1.190 289 A CA 2.468 54.390 52.037 -0.192 0.000 0.647 289 A CB -1.780 17.140 19.000 -0.132 0.000 0.821 289 A HN 0.667 nan 8.150 nan 0.000 0.457 290 S N -1.431 114.187 115.700 -0.136 0.000 3.009 290 S HA 0.327 4.797 4.470 -0.001 0.000 0.243 290 S C 0.598 175.093 174.600 -0.174 0.000 1.012 290 S CA 0.565 58.684 58.200 -0.135 0.000 1.113 290 S CB 0.137 63.331 63.200 -0.010 0.000 0.827 290 S HN 0.428 nan 8.310 nan 0.000 0.495 291 V N -0.788 118.987 119.914 -0.232 0.000 3.093 291 V HA 0.006 4.125 4.120 -0.001 0.000 0.251 291 V C 1.411 177.211 176.094 -0.489 0.000 1.719 291 V CA 0.610 62.749 62.300 -0.268 0.000 1.026 291 V CB -0.121 31.576 31.823 -0.210 0.000 0.926 291 V HN 0.483 nan 8.190 nan 0.000 0.396 292 T N 0.754 115.015 114.554 -0.488 0.000 3.284 292 T HA -0.037 4.312 4.350 -0.001 0.000 0.252 292 T C 1.531 176.075 174.700 -0.261 0.000 1.144 292 T CA 1.425 63.240 62.100 -0.476 0.000 1.021 292 T CB -0.169 68.485 68.868 -0.356 0.000 0.984 292 T HN 0.511 nan 8.240 nan 0.000 0.545 293 T N 0.352 114.779 114.554 -0.213 0.000 3.035 293 T HA 0.329 4.679 4.350 -0.001 0.000 0.259 293 T C 1.168 175.817 174.700 -0.084 0.000 1.078 293 T CA 0.421 62.443 62.100 -0.131 0.000 1.132 293 T CB 0.251 69.044 68.868 -0.125 0.000 0.900 293 T HN 0.531 nan 8.240 nan 0.000 0.480 294 G N 0.267 109.025 108.800 -0.071 0.000 2.721 294 G HA2 0.487 4.447 3.960 -0.001 0.000 0.296 294 G HA3 0.487 4.447 3.960 -0.001 0.000 0.296 294 G C -1.917 173.035 174.900 0.086 0.000 1.383 294 G CA -0.844 44.252 45.100 -0.006 0.000 0.788 294 G HN -0.023 nan 8.290 nan 0.000 0.500 295 D N 1.048 121.487 120.400 0.064 0.000 2.474 295 D HA 0.290 4.929 4.640 -0.001 0.000 0.232 295 D C 0.380 176.730 176.300 0.084 0.000 1.177 295 D CA 1.109 55.132 54.000 0.037 0.000 0.876 295 D CB 0.303 41.051 40.800 -0.086 0.000 1.208 295 D HN 0.615 nan 8.370 nan 0.000 0.464 296 H N -1.630 117.294 119.070 -0.243 0.000 2.887 296 H HA 0.391 4.946 4.556 -0.001 0.000 0.290 296 H C -1.475 173.705 175.328 -0.245 0.000 1.429 296 H CA -0.785 55.150 56.048 -0.187 0.000 1.137 296 H CB 0.157 29.931 29.762 0.021 0.000 1.824 296 H HN 0.397 nan 8.280 nan 0.000 0.520 297 Y N -0.419 120.012 120.300 0.217 0.000 2.665 297 Y HA 0.491 5.040 4.550 -0.001 0.000 0.336 297 Y C -0.508 175.571 175.900 0.298 0.000 1.085 297 Y CA -1.260 56.962 58.100 0.203 0.000 1.096 297 Y CB 1.779 40.226 38.460 -0.021 0.000 1.301 297 Y HN 0.435 nan 8.280 nan 0.000 0.493 298 L N 1.112 122.602 121.223 0.445 0.000 2.283 298 L HA 0.436 4.775 4.340 -0.001 0.000 0.281 298 L C -0.070 176.726 176.870 -0.125 0.000 1.033 298 L CA -0.140 54.698 54.840 -0.004 0.000 0.848 298 L CB 0.209 42.321 42.059 0.089 0.000 1.226 298 L HN 0.959 nan 8.230 nan 0.000 0.429 299 C N 2.497 121.648 119.300 -0.247 0.000 2.455 299 C HA 0.014 4.473 4.460 -0.001 0.000 0.281 299 C C 0.920 175.750 174.990 -0.267 0.000 1.237 299 C CA 0.857 59.706 59.018 -0.281 0.000 1.726 299 C CB -0.465 27.160 27.740 -0.191 0.000 2.068 299 C HN 0.927 nan 8.230 nan 0.000 0.466 300 D N -1.652 118.614 120.400 -0.225 0.000 2.655 300 D HA 0.383 5.022 4.640 -0.001 0.000 0.229 300 D C -1.853 174.213 176.300 -0.389 0.000 1.229 300 D CA -0.115 53.830 54.000 -0.091 0.000 0.807 300 D CB 1.908 42.658 40.800 -0.085 0.000 1.514 300 D HN 0.113 nan 8.370 nan 0.000 0.444 301 V N 0.628 120.234 119.914 -0.513 0.000 2.604 301 V HA 0.827 4.947 4.120 -0.001 0.000 0.305 301 V C -0.349 175.334 176.094 -0.684 0.000 1.043 301 V CA -0.464 61.253 62.300 -0.972 0.000 0.888 301 V CB 1.225 31.822 31.823 -2.044 0.000 0.995 301 V HN 0.798 nan 8.190 nan 0.000 0.429 302 A N 3.992 126.459 122.820 -0.587 0.000 2.466 302 A HA 0.627 4.947 4.320 -0.001 0.000 0.284 302 A C -1.480 175.925 177.584 -0.298 0.000 1.049 302 A CA -0.578 51.277 52.037 -0.304 0.000 0.760 302 A CB 0.622 19.511 19.000 -0.186 0.000 1.274 302 A HN 0.764 nan 8.150 nan 0.000 0.412 303 W N 2.783 124.020 121.300 -0.106 0.000 2.253 303 W HA 0.386 5.046 4.660 -0.000 0.000 0.322 303 W C 1.012 177.468 176.519 -0.106 0.000 1.342 303 W CA 0.171 57.473 57.345 -0.072 0.000 1.218 303 W CB 1.231 30.725 29.460 0.057 0.000 1.205 303 W HN 0.499 nan 8.180 nan 0.000 0.551 304 V N 2.176 122.116 119.914 0.043 0.000 2.398 304 V HA 0.020 4.139 4.120 -0.001 0.000 0.236 304 V C 0.893 177.041 176.094 0.091 0.000 1.054 304 V CA 1.317 63.524 62.300 -0.155 0.000 1.060 304 V CB -0.183 31.282 31.823 -0.597 0.000 0.707 304 V HN 0.574 nan 8.190 nan 0.000 0.480 305 S N -1.484 114.316 115.700 0.168 0.000 2.732 305 S HA 0.374 4.844 4.470 -0.001 0.000 0.293 305 S C 0.399 175.183 174.600 0.307 0.000 1.159 305 S CA -0.335 57.984 58.200 0.198 0.000 0.847 305 S CB 1.901 65.196 63.200 0.158 0.000 1.169 305 S HN 0.301 nan 8.310 nan 0.000 0.501 306 E N -0.409 119.936 120.200 0.243 0.000 2.516 306 E HA -0.049 4.300 4.350 -0.001 0.000 0.199 306 E C -0.252 176.641 176.600 0.489 0.000 1.069 306 E CA 0.691 57.267 56.400 0.293 0.000 0.876 306 E CB -0.018 29.780 29.700 0.164 0.000 0.843 306 E HN 0.555 nan 8.360 nan 0.000 0.530 307 D N -0.141 120.500 120.400 0.401 0.000 2.535 307 D HA 0.099 4.738 4.640 -0.001 0.000 0.229 307 D C -0.195 176.322 176.300 0.361 0.000 1.238 307 D CA 0.007 54.209 54.000 0.337 0.000 0.824 307 D CB 0.618 41.552 40.800 0.223 0.000 1.045 307 D HN -0.028 nan 8.370 nan 0.000 0.500 308 R N 0.997 121.767 120.500 0.451 0.000 2.564 308 R HA 0.615 4.954 4.340 -0.001 0.000 0.284 308 R C -1.903 174.493 176.300 0.160 0.000 1.031 308 R CA -0.552 55.716 56.100 0.279 0.000 0.904 308 R CB 1.975 32.330 30.300 0.092 0.000 1.199 308 R HN -0.025 nan 8.270 nan 0.000 0.443 309 I N 1.886 122.393 120.570 -0.104 0.000 2.769 309 I HA 0.406 4.575 4.170 -0.001 0.000 0.298 309 I C -1.401 174.437 176.117 -0.465 0.000 1.128 309 I CA -0.496 60.494 61.300 -0.518 0.000 1.031 309 I CB 2.474 39.779 38.000 -1.158 0.000 1.235 309 I HN 0.681 nan 8.210 nan 0.000 0.423 310 S N 7.587 122.968 115.700 -0.531 0.000 2.530 310 S HA 0.655 5.124 4.470 -0.001 0.000 0.322 310 S C -1.155 173.136 174.600 -0.515 0.000 1.085 310 S CA -0.620 57.325 58.200 -0.425 0.000 1.096 310 S CB 0.506 63.510 63.200 -0.326 0.000 0.988 310 S HN 0.498 nan 8.310 nan 0.000 0.466 311 L N 4.336 125.267 121.223 -0.486 0.000 2.329 311 L HA 0.592 4.931 4.340 -0.001 0.000 0.279 311 L C 0.079 176.641 176.870 -0.513 0.000 1.014 311 L CA -0.687 53.755 54.840 -0.663 0.000 0.814 311 L CB 1.778 43.382 42.059 -0.759 0.000 1.257 311 L HN 0.555 nan 8.230 nan 0.000 0.424 312 Q N 2.031 121.447 119.800 -0.641 0.000 2.331 312 Q HA 0.384 4.723 4.340 -0.001 0.000 0.267 312 Q C -1.670 174.011 176.000 -0.531 0.000 1.006 312 Q CA -0.550 55.011 55.803 -0.403 0.000 0.818 312 Q CB 2.492 31.067 28.738 -0.271 0.000 1.276 312 Q HN 0.466 nan 8.270 nan 0.000 0.450 313 W N 2.162 123.433 121.300 -0.048 0.000 2.706 313 W HA 0.624 5.283 4.660 -0.001 0.000 0.346 313 W C -0.731 175.844 176.519 0.092 0.000 1.071 313 W CA -0.604 56.767 57.345 0.043 0.000 1.206 313 W CB 1.005 30.499 29.460 0.056 0.000 1.413 313 W HN 0.358 nan 8.180 nan 0.000 0.542 314 L N 2.044 123.517 121.223 0.417 0.000 2.422 314 L HA 0.547 4.886 4.340 -0.001 0.000 0.264 314 L C -0.149 176.967 176.870 0.410 0.000 0.984 314 L CA -1.276 53.771 54.840 0.345 0.000 0.819 314 L CB 1.642 43.849 42.059 0.246 0.000 1.330 314 L HN 0.397 nan 8.230 nan 0.000 0.410 315 R N 1.884 122.588 120.500 0.339 0.000 2.615 315 R HA 0.291 4.631 4.340 -0.001 0.000 0.270 315 R C 0.951 177.400 176.300 0.249 0.000 1.081 315 R CA -0.366 55.885 56.100 0.250 0.000 1.154 315 R CB 0.715 31.120 30.300 0.174 0.000 1.063 315 R HN 0.595 nan 8.270 nan 0.000 0.519 316 R N 1.122 121.696 120.500 0.123 0.000 2.127 316 R HA -0.068 4.271 4.340 -0.001 0.000 0.238 316 R C 0.317 176.731 176.300 0.190 0.000 1.134 316 R CA 1.195 57.376 56.100 0.134 0.000 0.975 316 R CB 0.200 30.491 30.300 -0.015 0.000 0.865 316 R HN 0.354 nan 8.270 nan 0.000 0.447 317 I N 2.640 123.284 120.570 0.123 0.000 2.287 317 I HA 0.050 4.219 4.170 -0.001 0.000 0.290 317 I C 0.062 176.250 176.117 0.119 0.000 1.069 317 I CA 0.037 61.392 61.300 0.091 0.000 1.237 317 I CB 1.142 39.181 38.000 0.064 0.000 1.418 317 I HN 0.234 nan 8.210 nan 0.000 0.481 318 Q N 3.624 123.482 119.800 0.096 0.000 2.294 318 Q HA -0.066 4.274 4.340 -0.001 0.000 0.207 318 Q C 1.318 177.400 176.000 0.138 0.000 0.887 318 Q CA 0.149 56.020 55.803 0.113 0.000 0.987 318 Q CB -0.504 28.254 28.738 0.034 0.000 1.101 318 Q HN 0.583 nan 8.270 nan 0.000 0.447 319 N N -0.286 118.501 118.700 0.145 0.000 2.333 319 N HA -0.098 4.642 4.740 -0.001 0.000 0.178 319 N C -0.418 175.210 175.510 0.196 0.000 1.018 319 N CA 0.217 53.353 53.050 0.142 0.000 0.882 319 N CB 0.385 38.945 38.487 0.121 0.000 0.984 319 N HN 0.291 nan 8.380 nan 0.000 0.434 320 Y N -0.090 120.247 120.300 0.061 0.000 2.512 320 Y HA 0.491 5.040 4.550 -0.001 0.000 0.348 320 Y C -1.167 174.779 175.900 0.077 0.000 0.990 320 Y CA -0.825 57.311 58.100 0.060 0.000 1.033 320 Y CB 1.938 40.427 38.460 0.048 0.000 1.259 320 Y HN -0.173 nan 8.280 nan 0.000 0.461 321 S N 3.839 119.395 115.700 -0.239 0.000 2.533 321 S HA 0.792 5.261 4.470 -0.001 0.000 0.271 321 S C -2.407 172.049 174.600 -0.240 0.000 1.143 321 S CA -0.534 57.620 58.200 -0.077 0.000 0.891 321 S CB 1.292 64.477 63.200 -0.024 0.000 1.105 321 S HN 0.559 nan 8.310 nan 0.000 0.468 322 V N 4.911 124.834 119.914 0.014 0.000 2.656 322 V HA 0.604 4.723 4.120 -0.001 0.000 0.307 322 V C -0.350 175.812 176.094 0.114 0.000 1.051 322 V CA -0.657 61.666 62.300 0.038 0.000 0.893 322 V CB 1.914 33.816 31.823 0.133 0.000 0.999 322 V HN 0.944 nan 8.190 nan 0.000 0.426 323 M N 4.855 124.486 119.600 0.051 0.000 2.027 323 M HA 0.720 5.199 4.480 -0.001 0.000 0.329 323 M C -0.263 176.073 176.300 0.061 0.000 0.971 323 M CA -0.458 54.844 55.300 0.003 0.000 0.933 323 M CB 0.837 33.357 32.600 -0.134 0.000 1.392 323 M HN 0.785 nan 8.290 nan 0.000 0.394 324 A N 5.507 128.384 122.820 0.096 0.000 2.316 324 A HA 0.731 5.051 4.320 -0.001 0.000 0.284 324 A C -0.581 177.014 177.584 0.018 0.000 1.115 324 A CA -0.601 51.483 52.037 0.077 0.000 0.812 324 A CB 0.560 19.610 19.000 0.083 0.000 1.064 324 A HN 0.912 nan 8.150 nan 0.000 0.489 325 I N 0.983 121.585 120.570 0.053 0.000 2.404 325 I HA 0.320 4.489 4.170 -0.001 0.000 0.293 325 I C -0.780 175.354 176.117 0.028 0.000 0.992 325 I CA -0.341 60.973 61.300 0.022 0.000 1.149 325 I CB 1.548 39.623 38.000 0.125 0.000 1.315 325 I HN 0.530 nan 8.210 nan 0.000 0.446 326 c N 4.144 122.749 118.600 0.009 0.000 2.455 326 c HA 0.485 5.055 4.570 -0.001 0.000 0.320 326 c C -0.382 173.848 174.090 0.234 0.000 1.226 326 c CA -0.848 55.548 56.329 0.111 0.000 1.569 326 c CB 1.380 43.956 42.510 0.111 0.000 2.200 326 c HN 0.622 nan 8.230 nan 0.000 0.491 327 D N 0.487 121.010 120.400 0.206 0.000 2.198 327 D HA 0.251 4.891 4.640 -0.001 0.000 0.247 327 D C -0.945 175.325 176.300 -0.050 0.000 1.010 327 D CA -0.170 53.911 54.000 0.134 0.000 0.880 327 D CB 1.767 42.597 40.800 0.051 0.000 1.209 327 D HN 0.604 nan 8.370 nan 0.000 0.451 328 Y N 1.403 121.371 120.300 -0.553 0.000 2.316 328 Y HA 0.117 4.666 4.550 -0.001 0.000 0.331 328 Y C -0.069 175.540 175.900 -0.485 0.000 1.083 328 Y CA -0.348 57.097 58.100 -1.092 0.000 1.206 328 Y CB 0.831 38.464 38.460 -1.377 0.000 1.195 328 Y HN 0.141 nan 8.280 nan 0.000 0.497 329 D N 6.075 125.871 120.400 -1.005 0.000 2.412 329 D HA 0.138 4.778 4.640 -0.001 0.000 0.224 329 D C 0.274 176.031 176.300 -0.905 0.000 1.093 329 D CA -0.141 53.453 54.000 -0.678 0.000 0.850 329 D CB 1.014 41.563 40.800 -0.419 0.000 1.046 329 D HN 0.773 nan 8.370 nan 0.000 0.507 330 K N 1.477 121.541 120.400 -0.559 0.000 2.032 330 K HA -0.122 4.198 4.320 -0.001 0.000 0.209 330 K C 1.787 178.255 176.600 -0.219 0.000 1.048 330 K CA 1.315 57.411 56.287 -0.318 0.000 0.927 330 K CB 0.052 32.510 32.500 -0.069 0.000 0.712 330 K HN 0.327 nan 8.250 nan 0.000 0.441 331 T N 0.532 114.977 114.554 -0.181 0.000 2.737 331 T HA -0.083 4.266 4.350 -0.001 0.000 0.265 331 T C 1.644 176.278 174.700 -0.110 0.000 1.038 331 T CA 1.662 63.695 62.100 -0.112 0.000 1.144 331 T CB -0.096 68.720 68.868 -0.086 0.000 0.866 331 T HN 0.267 nan 8.240 nan 0.000 0.434 332 T N 1.595 116.057 114.554 -0.153 0.000 3.069 332 T HA 0.363 4.712 4.350 -0.001 0.000 0.252 332 T C 0.568 175.199 174.700 -0.115 0.000 1.053 332 T CA -0.216 61.819 62.100 -0.108 0.000 0.964 332 T CB -0.275 68.539 68.868 -0.091 0.000 1.005 332 T HN 0.331 nan 8.240 nan 0.000 0.532 333 L N 1.187 122.282 121.223 -0.213 0.000 3.823 333 L HA -0.149 4.190 4.340 -0.001 0.000 0.525 333 L C -0.707 176.128 176.870 -0.058 0.000 1.247 333 L CA -0.227 54.522 54.840 -0.152 0.000 0.776 333 L CB -1.881 40.219 42.059 0.068 0.000 1.443 333 L HN 0.127 nan 8.230 nan 0.000 0.831 334 V N -1.327 118.440 119.914 -0.244 0.000 3.087 334 V HA 0.506 4.625 4.120 -0.001 0.000 0.306 334 V C -0.681 175.306 176.094 -0.178 0.000 1.187 334 V CA -0.805 61.465 62.300 -0.050 0.000 0.999 334 V CB 2.293 34.103 31.823 -0.021 0.000 1.049 334 V HN 0.278 nan 8.190 nan 0.000 0.431 335 W N 2.356 123.684 121.300 0.046 0.000 2.433 335 W HA 0.592 5.252 4.660 -0.001 0.000 0.315 335 W C 0.147 176.662 176.519 -0.006 0.000 1.087 335 W CA -0.319 57.049 57.345 0.038 0.000 1.205 335 W CB 0.902 30.386 29.460 0.039 0.000 1.288 335 W HN 0.407 nan 8.180 nan 0.000 0.504 336 N N 2.132 120.918 118.700 0.144 0.000 2.405 336 N HA 0.418 5.157 4.740 -0.001 0.000 0.299 336 N C -1.199 174.364 175.510 0.089 0.000 1.075 336 N CA -0.476 52.620 53.050 0.077 0.000 0.884 336 N CB 1.850 40.345 38.487 0.013 0.000 1.194 336 N HN 0.301 nan 8.380 nan 0.000 0.491 337 c N 2.084 120.713 118.600 0.049 0.000 3.401 337 c HA 0.247 4.816 4.570 -0.001 0.000 0.204 337 c C -2.128 171.966 174.090 0.006 0.000 1.522 337 c CA -1.380 54.968 56.329 0.032 0.000 1.409 337 c CB -0.536 41.982 42.510 0.013 0.000 1.967 337 c HN 0.536 nan 8.230 nan 0.000 0.496 338 P HA -0.017 nan 4.420 nan 0.000 0.260 338 P C 1.151 178.444 177.300 -0.012 0.000 1.172 338 P CA 1.034 64.132 63.100 -0.003 0.000 0.760 338 P CB 0.601 32.304 31.700 0.005 0.000 0.773 339 T N 0.034 114.574 114.554 -0.023 0.000 2.869 339 T HA -0.177 4.172 4.350 -0.001 0.000 0.270 339 T C 1.410 176.086 174.700 -0.041 0.000 1.082 339 T CA 1.895 63.977 62.100 -0.031 0.000 1.123 339 T CB -1.376 67.474 68.868 -0.030 0.000 0.856 339 T HN 0.426 nan 8.240 nan 0.000 0.499 340 T N 2.017 116.551 114.554 -0.033 0.000 2.962 340 T HA -0.058 4.291 4.350 -0.001 0.000 0.270 340 T C 1.378 176.034 174.700 -0.074 0.000 1.088 340 T CA 0.927 63.001 62.100 -0.042 0.000 1.127 340 T CB -0.245 68.612 68.868 -0.018 0.000 0.883 340 T HN 0.624 nan 8.240 nan 0.000 0.493 341 Q N -0.096 119.672 119.800 -0.054 0.000 2.182 341 Q HA 0.301 4.641 4.340 -0.001 0.000 0.270 341 Q C 1.073 177.036 176.000 -0.061 0.000 0.861 341 Q CA -0.245 55.529 55.803 -0.049 0.000 1.098 341 Q CB 0.643 29.426 28.738 0.076 0.000 1.188 341 Q HN 0.300 nan 8.270 nan 0.000 0.464 342 E N 0.684 120.809 120.200 -0.125 0.000 2.006 342 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 342 E C -0.512 176.097 176.600 0.015 0.000 0.993 342 E CA 1.012 57.385 56.400 -0.045 0.000 0.808 342 E CB 0.269 29.948 29.700 -0.035 0.000 0.764 342 E HN 0.275 nan 8.360 nan 0.000 0.449 343 H N -0.934 118.160 119.070 0.040 0.000 3.665 343 H HA -0.140 4.415 4.556 -0.001 0.000 0.316 343 H C -0.847 174.459 175.328 -0.037 0.000 0.870 343 H CA 0.793 56.857 56.048 0.026 0.000 0.947 343 H CB -1.670 28.099 29.762 0.013 0.000 1.453 343 H HN 0.172 nan 8.280 nan 0.000 0.339 344 I N 2.693 123.300 120.570 0.061 0.000 2.412 344 I HA 0.246 4.416 4.170 -0.001 0.000 0.296 344 I C 0.685 176.751 176.117 -0.086 0.000 0.987 344 I CA -0.210 61.032 61.300 -0.097 0.000 1.180 344 I CB 1.953 39.868 38.000 -0.141 0.000 1.340 344 I HN 0.412 nan 8.210 nan 0.000 0.455 345 E N 4.065 124.155 120.200 -0.184 0.000 2.187 345 E HA 0.561 4.911 4.350 -0.001 0.000 0.268 345 E C -1.268 175.238 176.600 -0.158 0.000 0.896 345 E CA -0.349 55.988 56.400 -0.105 0.000 0.766 345 E CB 1.960 31.617 29.700 -0.072 0.000 1.142 345 E HN 0.554 nan 8.360 nan 0.000 0.408 346 T N 1.444 115.958 114.554 -0.067 0.000 2.841 346 T HA 0.501 4.850 4.350 -0.001 0.000 0.296 346 T C -1.679 173.025 174.700 0.006 0.000 1.166 346 T CA -0.594 61.490 62.100 -0.027 0.000 1.007 346 T CB 1.702 70.574 68.868 0.007 0.000 1.253 346 T HN 0.282 nan 8.240 nan 0.000 0.511 347 S N 0.534 116.253 115.700 0.030 0.000 2.750 347 S HA 0.586 5.056 4.470 -0.001 0.000 0.276 347 S C 0.491 175.114 174.600 0.039 0.000 1.165 347 S CA 0.010 58.224 58.200 0.024 0.000 1.047 347 S CB 0.633 63.841 63.200 0.013 0.000 1.056 347 S HN 0.864 nan 8.310 nan 0.000 0.481 348 A N 3.501 126.340 122.820 0.032 0.000 2.208 348 A HA 0.176 4.495 4.320 -0.001 0.000 0.209 348 A C 1.648 179.257 177.584 0.042 0.000 1.161 348 A CA 1.292 53.350 52.037 0.036 0.000 0.782 348 A CB -0.507 18.508 19.000 0.025 0.000 0.816 348 A HN 0.758 nan 8.150 nan 0.000 0.477 349 T N -1.660 112.931 114.554 0.062 0.000 2.939 349 T HA 0.372 4.722 4.350 -0.001 0.000 0.254 349 T C 1.396 176.147 174.700 0.085 0.000 1.041 349 T CA 1.160 63.327 62.100 0.111 0.000 1.142 349 T CB 0.250 69.221 68.868 0.172 0.000 0.874 349 T HN 0.567 nan 8.240 nan 0.000 0.452 350 G N 0.208 108.973 108.800 -0.057 0.000 3.364 350 G HA2 0.444 4.403 3.960 -0.001 0.000 0.137 350 G HA3 0.444 4.403 3.960 -0.001 0.000 0.137 350 G C -1.481 173.366 174.900 -0.087 0.000 1.298 350 G CA -0.198 44.738 45.100 -0.273 0.000 1.341 350 G HN 0.509 nan 8.290 nan 0.000 0.718 351 W N -0.452 120.568 121.300 -0.466 0.000 3.032 351 W HA 0.731 5.390 4.660 -0.001 0.000 0.341 351 W C -0.860 175.608 176.519 -0.085 0.000 1.202 351 W CA -1.506 55.707 57.345 -0.220 0.000 1.132 351 W CB 0.708 30.002 29.460 -0.277 0.000 1.465 351 W HN 0.370 nan 8.180 nan 0.000 0.576 352 C N 3.543 122.912 119.300 0.114 0.000 2.499 352 C HA 0.729 5.188 4.460 -0.001 0.000 0.386 352 C C 1.176 176.201 174.990 0.059 0.000 1.293 352 C CA 1.285 60.322 59.018 0.031 0.000 1.884 352 C CB -0.726 27.040 27.740 0.043 0.000 2.509 352 C HN 1.247 nan 8.230 nan 0.000 0.566 353 G N 4.434 113.212 108.800 -0.037 0.000 2.855 353 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.352 353 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.352 353 G C 0.554 175.452 174.900 -0.004 0.000 1.415 353 G CA -0.223 44.872 45.100 -0.008 0.000 0.871 353 G HN 0.738 nan 8.290 nan 0.000 0.543 354 R N -0.856 119.637 120.500 -0.013 0.000 2.055 354 R HA 0.107 4.446 4.340 -0.001 0.000 0.228 354 R C 1.935 178.099 176.300 -0.226 0.000 1.143 354 R CA 2.140 58.144 56.100 -0.160 0.000 0.945 354 R CB -0.111 30.099 30.300 -0.150 0.000 0.841 354 R HN 0.515 nan 8.270 nan 0.000 0.429 355 F N -0.493 119.593 119.950 0.226 0.000 2.856 355 F HA 0.288 4.815 4.527 -0.001 0.000 0.338 355 F C 0.190 176.027 175.800 0.061 0.000 1.100 355 F CA -0.586 57.520 58.000 0.176 0.000 1.150 355 F CB 0.913 40.008 39.000 0.158 0.000 1.101 355 F HN -0.063 nan 8.300 nan 0.000 0.548 356 R N -0.891 119.727 120.500 0.197 0.000 3.570 356 R HA 0.186 4.525 4.340 -0.001 0.000 0.270 356 R C -3.525 172.810 176.300 0.057 0.000 0.980 356 R CA -1.400 54.744 56.100 0.073 0.000 0.944 356 R CB -0.554 29.741 30.300 -0.008 0.000 1.278 356 R HN -0.284 nan 8.270 nan 0.000 0.549 357 P HA -0.014 nan 4.420 nan 0.000 0.263 357 P C -0.336 176.967 177.300 0.004 0.000 1.168 357 P CA 0.685 63.782 63.100 -0.005 0.000 0.759 357 P CB 0.434 32.108 31.700 -0.043 0.000 0.782 358 A N 2.718 125.550 122.820 0.019 0.000 2.386 358 A HA 0.105 4.425 4.320 -0.001 0.000 0.248 358 A C 0.426 178.013 177.584 0.005 0.000 1.082 358 A CA -0.298 51.768 52.037 0.049 0.000 0.789 358 A CB -0.106 18.943 19.000 0.081 0.000 1.025 358 A HN 0.586 nan 8.150 nan 0.000 0.490 359 E N 1.716 121.930 120.200 0.022 0.000 2.360 359 E HA 0.242 4.591 4.350 -0.001 0.000 0.269 359 E C -2.130 174.397 176.600 -0.122 0.000 1.022 359 E CA -1.603 54.758 56.400 -0.065 0.000 0.887 359 E CB 0.610 30.279 29.700 -0.053 0.000 0.990 359 E HN 0.475 nan 8.360 nan 0.000 0.426 360 P HA 0.134 nan 4.420 nan 0.000 0.281 360 P C -1.174 175.963 177.300 -0.271 0.000 1.249 360 P CA -0.148 62.801 63.100 -0.251 0.000 0.810 360 P CB 0.909 32.264 31.700 -0.576 0.000 1.008 361 H N 1.867 120.973 119.070 0.060 0.000 2.708 361 H HA 0.319 4.875 4.556 -0.001 0.000 0.320 361 H C -0.384 175.063 175.328 0.199 0.000 0.991 361 H CA -0.249 55.909 56.048 0.184 0.000 1.243 361 H CB 0.414 30.289 29.762 0.189 0.000 1.446 361 H HN 0.301 nan 8.280 nan 0.000 0.502 362 F N 1.475 121.596 119.950 0.285 0.000 2.377 362 F HA 0.144 4.671 4.527 -0.001 0.000 0.328 362 F C 1.535 177.510 175.800 0.291 0.000 1.094 362 F CA -0.480 57.703 58.000 0.305 0.000 1.093 362 F CB 1.207 40.325 39.000 0.197 0.000 1.214 362 F HN 0.356 nan 8.300 nan 0.000 0.518 363 T N -1.720 113.116 114.554 0.469 0.000 2.816 363 T HA 0.163 4.513 4.350 -0.001 0.000 0.282 363 T C 1.171 176.050 174.700 0.298 0.000 0.993 363 T CA -0.528 61.778 62.100 0.342 0.000 0.994 363 T CB 1.093 70.140 68.868 0.298 0.000 1.025 363 T HN 0.505 nan 8.240 nan 0.000 0.529 364 S N 1.342 117.174 115.700 0.220 0.000 2.359 364 S HA -0.151 4.318 4.470 -0.001 0.000 0.223 364 S C 1.761 176.468 174.600 0.178 0.000 1.039 364 S CA 1.647 59.955 58.200 0.180 0.000 1.042 364 S CB -0.641 62.641 63.200 0.136 0.000 0.915 364 S HN 0.986 nan 8.310 nan 0.000 0.439 365 D N 0.732 121.234 120.400 0.170 0.000 2.378 365 D HA 0.069 4.709 4.640 -0.001 0.000 0.227 365 D C 1.208 177.624 176.300 0.194 0.000 1.012 365 D CA 0.803 54.897 54.000 0.156 0.000 0.905 365 D CB -0.958 39.920 40.800 0.130 0.000 0.895 365 D HN 0.457 nan 8.370 nan 0.000 0.532 366 G N 0.967 109.925 108.800 0.264 0.000 2.269 366 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.277 366 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.277 366 G C 1.139 176.281 174.900 0.404 0.000 1.008 366 G CA 1.250 46.575 45.100 0.376 0.000 0.774 366 G HN 0.608 nan 8.290 nan 0.000 0.511 367 S N -1.746 114.129 115.700 0.292 0.000 2.387 367 S HA 0.366 4.836 4.470 -0.001 0.000 0.226 367 S C 1.148 175.878 174.600 0.215 0.000 1.026 367 S CA 1.379 59.714 58.200 0.225 0.000 0.972 367 S CB 0.270 63.557 63.200 0.146 0.000 0.814 367 S HN 0.791 nan 8.310 nan 0.000 0.477 368 S N 0.548 116.359 115.700 0.184 0.000 2.667 368 S HA 0.814 5.284 4.470 -0.001 0.000 0.292 368 S C -1.074 173.514 174.600 -0.019 0.000 1.126 368 S CA -0.854 57.336 58.200 -0.016 0.000 0.881 368 S CB 1.706 64.824 63.200 -0.137 0.000 1.132 368 S HN 0.597 nan 8.310 nan 0.000 0.492 369 F N -0.794 118.945 119.950 -0.352 0.000 2.631 369 F HA 0.776 5.303 4.527 -0.001 0.000 0.308 369 F C -2.121 173.490 175.800 -0.315 0.000 1.097 369 F CA -1.375 56.348 58.000 -0.462 0.000 0.952 369 F CB 0.538 38.715 39.000 -1.371 0.000 1.307 369 F HN 0.440 nan 8.300 nan 0.000 0.450 370 Y N 1.615 121.995 120.300 0.133 0.000 2.360 370 Y HA 0.697 5.247 4.550 -0.001 0.000 0.337 370 Y C -0.096 175.950 175.900 0.243 0.000 1.039 370 Y CA -1.041 57.133 58.100 0.124 0.000 1.109 370 Y CB 1.939 40.431 38.460 0.053 0.000 1.201 370 Y HN 0.777 nan 8.280 nan 0.000 0.458 371 K N 2.775 123.389 120.400 0.357 0.000 2.527 371 K HA 0.553 4.873 4.320 -0.001 0.000 0.260 371 K C -1.661 175.047 176.600 0.179 0.000 0.937 371 K CA -0.633 55.816 56.287 0.270 0.000 0.826 371 K CB 1.727 34.339 32.500 0.187 0.000 1.359 371 K HN 0.741 nan 8.250 nan 0.000 0.434 372 I N 4.604 125.255 120.570 0.135 0.000 2.379 372 I HA 0.182 4.351 4.170 -0.001 0.000 0.290 372 I C -0.108 176.056 176.117 0.079 0.000 1.063 372 I CA -0.469 60.886 61.300 0.091 0.000 1.351 372 I CB 1.019 39.073 38.000 0.091 0.000 1.410 372 I HN 0.370 nan 8.210 nan 0.000 0.505 373 V N 1.933 121.897 119.914 0.084 0.000 3.114 373 V HA 0.524 4.643 4.120 -0.001 0.000 0.308 373 V C -0.120 176.057 176.094 0.139 0.000 1.168 373 V CA -0.779 61.575 62.300 0.091 0.000 1.015 373 V CB 1.805 33.698 31.823 0.117 0.000 1.050 373 V HN 0.588 nan 8.190 nan 0.000 0.433 374 S N 2.748 118.474 115.700 0.043 0.000 2.533 374 S HA 0.310 4.779 4.470 -0.001 0.000 0.282 374 S C -0.135 174.496 174.600 0.051 0.000 1.304 374 S CA 0.040 58.212 58.200 -0.045 0.000 1.063 374 S CB 0.242 63.343 63.200 -0.164 0.000 0.881 374 S HN 1.111 nan 8.310 nan 0.000 0.493 375 D N 1.832 122.143 120.400 -0.149 0.000 2.478 375 D HA 0.181 4.821 4.640 -0.001 0.000 0.274 375 D C 1.001 177.124 176.300 -0.295 0.000 1.234 375 D CA -0.761 52.959 54.000 -0.467 0.000 1.069 375 D CB 0.274 40.477 40.800 -0.995 0.000 1.113 375 D HN 0.381 nan 8.370 nan 0.000 0.571 376 K N -1.119 119.083 120.400 -0.329 0.000 2.211 376 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 376 K C 0.408 176.917 176.600 -0.152 0.000 1.047 376 K CA 1.393 57.567 56.287 -0.188 0.000 0.935 376 K CB 0.001 32.399 32.500 -0.170 0.000 0.728 376 K HN 0.324 nan 8.250 nan 0.000 0.452 377 D N -1.316 118.994 120.400 -0.149 0.000 2.349 377 D HA 0.078 4.718 4.640 -0.001 0.000 0.214 377 D C 0.688 176.911 176.300 -0.129 0.000 1.063 377 D CA 0.857 54.820 54.000 -0.061 0.000 0.847 377 D CB 0.970 41.802 40.800 0.053 0.000 0.933 377 D HN 0.436 nan 8.370 nan 0.000 0.513 378 G N 0.894 109.552 108.800 -0.237 0.000 2.130 378 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.216 378 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.216 378 G C -0.394 174.141 174.900 -0.610 0.000 0.999 378 G CA -0.479 44.369 45.100 -0.420 0.000 0.686 378 G HN 0.268 nan 8.290 nan 0.000 0.515 379 Y N 0.165 120.196 120.300 -0.449 0.000 2.342 379 Y HA 0.577 5.127 4.550 -0.001 0.000 0.338 379 Y C 0.753 176.240 175.900 -0.689 0.000 0.965 379 Y CA -1.133 56.602 58.100 -0.609 0.000 1.159 379 Y CB 1.421 39.393 38.460 -0.813 0.000 1.157 379 Y HN -0.013 nan 8.280 nan 0.000 0.486 380 K N 3.764 123.947 120.400 -0.362 0.000 2.320 380 K HA 0.030 4.349 4.320 -0.001 0.000 0.273 380 K C -0.773 175.720 176.600 -0.177 0.000 1.146 380 K CA 0.800 56.966 56.287 -0.201 0.000 1.144 380 K CB -0.511 31.927 32.500 -0.103 0.000 0.878 380 K HN 0.681 nan 8.250 nan 0.000 0.458 381 H N 0.843 119.912 119.070 -0.001 0.000 2.927 381 H HA 0.508 5.064 4.556 -0.001 0.000 0.316 381 H C -0.252 175.069 175.328 -0.011 0.000 1.403 381 H CA -1.355 54.663 56.048 -0.051 0.000 1.288 381 H CB 1.484 31.237 29.762 -0.016 0.000 1.944 381 H HN 0.241 nan 8.280 nan 0.000 0.629 382 I N 2.120 122.722 120.570 0.054 0.000 2.359 382 I HA 0.265 4.435 4.170 -0.001 0.000 0.294 382 I C -0.433 175.565 176.117 -0.199 0.000 0.987 382 I CA -0.408 60.850 61.300 -0.069 0.000 1.225 382 I CB 0.650 38.567 38.000 -0.137 0.000 1.366 382 I HN 0.523 nan 8.210 nan 0.000 0.466 383 c N 2.987 121.381 118.600 -0.344 0.000 3.086 383 c HA 0.513 5.083 4.570 -0.001 0.000 0.311 383 c C -0.529 173.223 174.090 -0.563 0.000 1.260 383 c CA -1.000 54.960 56.329 -0.615 0.000 1.426 383 c CB 1.367 43.053 42.510 -1.372 0.000 1.826 383 c HN 0.742 nan 8.230 nan 0.000 0.474 384 Q N 0.680 120.091 119.800 -0.648 0.000 2.293 384 Q HA 0.623 4.962 4.340 -0.001 0.000 0.251 384 Q C -1.315 174.141 176.000 -0.906 0.000 0.930 384 Q CA 0.313 55.648 55.803 -0.781 0.000 0.893 384 Q CB 1.061 29.401 28.738 -0.664 0.000 1.215 384 Q HN 0.695 nan 8.270 nan 0.000 0.425 385 F N 0.163 119.542 119.950 -0.952 0.000 2.603 385 F HA 0.339 4.866 4.527 -0.001 0.000 0.317 385 F C 0.080 175.378 175.800 -0.836 0.000 1.066 385 F CA -0.969 56.440 58.000 -0.984 0.000 0.941 385 F CB 1.722 39.683 39.000 -1.731 0.000 1.291 385 F HN 0.255 nan 8.300 nan 0.000 0.472 386 Q N 1.312 120.981 119.800 -0.219 0.000 2.266 386 Q HA 0.226 4.566 4.340 -0.001 0.000 0.261 386 Q C 0.960 177.062 176.000 0.170 0.000 0.985 386 Q CA -0.662 55.109 55.803 -0.054 0.000 0.873 386 Q CB 2.321 31.064 28.738 0.008 0.000 1.306 386 Q HN 0.774 nan 8.270 nan 0.000 0.447 387 K N 1.728 122.286 120.400 0.265 0.000 2.052 387 K HA -0.190 4.130 4.320 -0.001 0.000 0.215 387 K C -0.228 176.638 176.600 0.443 0.000 1.053 387 K CA 1.580 58.140 56.287 0.454 0.000 0.934 387 K CB 0.099 32.800 32.500 0.335 0.000 0.717 387 K HN 0.516 nan 8.250 nan 0.000 0.450 388 D N 1.046 121.578 120.400 0.221 0.000 2.339 388 D HA 0.035 4.674 4.640 -0.001 0.000 0.245 388 D C 0.003 176.311 176.300 0.012 0.000 1.115 388 D CA -0.087 53.959 54.000 0.077 0.000 0.917 388 D CB 1.051 41.879 40.800 0.046 0.000 1.192 388 D HN 0.236 nan 8.370 nan 0.000 0.428 389 R N 0.794 121.180 120.500 -0.189 0.000 2.637 389 R HA 0.281 4.621 4.340 -0.001 0.000 0.269 389 R C -0.421 175.864 176.300 -0.025 0.000 1.089 389 R CA -0.232 55.756 56.100 -0.188 0.000 1.177 389 R CB 0.640 30.775 30.300 -0.274 0.000 1.091 389 R HN 0.265 nan 8.270 nan 0.000 0.540 390 K N 2.609 123.021 120.400 0.020 0.000 2.443 390 K HA 0.326 4.646 4.320 -0.001 0.000 0.252 390 K C -2.496 174.111 176.600 0.011 0.000 0.933 390 K CA -2.059 54.234 56.287 0.011 0.000 0.792 390 K CB 2.350 34.854 32.500 0.006 0.000 1.185 390 K HN 0.524 nan 8.250 nan 0.000 0.425 391 P HA -0.080 nan 4.420 nan 0.000 0.252 391 P C -0.939 176.365 177.300 0.007 0.000 1.183 391 P CA 0.679 63.782 63.100 0.006 0.000 0.973 391 P CB 0.008 31.709 31.700 0.001 0.000 0.990 392 E N 2.246 122.456 120.200 0.016 0.000 2.360 392 E HA -0.235 4.115 4.350 -0.001 0.000 0.238 392 E C -0.102 176.499 176.600 0.003 0.000 1.186 392 E CA 0.565 56.974 56.400 0.015 0.000 0.719 392 E CB -1.480 28.226 29.700 0.011 0.000 1.236 392 E HN 0.669 nan 8.360 nan 0.000 0.386 393 Q N -1.909 117.888 119.800 -0.005 0.000 1.798 393 Q HA 0.054 4.394 4.340 -0.001 0.000 0.173 393 Q C 1.046 177.004 176.000 -0.070 0.000 0.780 393 Q CA 0.307 56.090 55.803 -0.034 0.000 0.866 393 Q CB 0.808 29.528 28.738 -0.031 0.000 1.234 393 Q HN 0.172 nan 8.270 nan 0.000 0.390 394 V N -0.726 119.168 119.914 -0.033 0.000 2.794 394 V HA -0.200 3.919 4.120 -0.001 0.000 0.260 394 V C 1.174 177.034 176.094 -0.391 0.000 1.103 394 V CA 1.024 63.311 62.300 -0.023 0.000 1.125 394 V CB -0.666 31.316 31.823 0.264 0.000 0.702 394 V HN 0.441 nan 8.190 nan 0.000 0.494 395 c N -0.977 117.346 118.600 -0.461 0.000 2.710 395 c HA 0.780 5.349 4.570 -0.001 0.000 0.367 395 c C 0.402 174.226 174.090 -0.445 0.000 1.315 395 c CA -0.074 55.792 56.329 -0.771 0.000 1.764 395 c CB 1.992 43.977 42.510 -0.875 0.000 2.182 395 c HN 0.494 nan 8.230 nan 0.000 0.491 396 T N 1.909 116.167 114.554 -0.493 0.000 4.096 396 T HA 0.279 4.628 4.350 -0.001 0.000 0.336 396 T C -1.089 173.465 174.700 -0.243 0.000 0.820 396 T CA -0.184 61.786 62.100 -0.217 0.000 0.986 396 T CB -0.075 68.683 68.868 -0.183 0.000 1.077 396 T HN 0.327 nan 8.240 nan 0.000 0.466 397 F N 2.391 122.232 119.950 -0.182 0.000 2.471 397 F HA 0.390 4.916 4.527 -0.001 0.000 0.353 397 F C 1.658 177.354 175.800 -0.174 0.000 1.113 397 F CA -0.722 57.175 58.000 -0.171 0.000 1.262 397 F CB 0.506 39.426 39.000 -0.134 0.000 1.146 397 F HN 0.524 nan 8.300 nan 0.000 0.578 398 I N 0.706 121.229 120.570 -0.079 0.000 3.941 398 I HA 0.043 4.212 4.170 -0.001 0.000 0.321 398 I C 0.097 176.100 176.117 -0.190 0.000 1.284 398 I CA 0.641 61.799 61.300 -0.236 0.000 1.226 398 I CB 0.095 37.889 38.000 -0.343 0.000 1.045 398 I HN 0.479 nan 8.210 nan 0.000 0.420 399 T N 2.057 116.495 114.554 -0.193 0.000 2.879 399 T HA 0.454 4.804 4.350 -0.001 0.000 0.290 399 T C -0.534 173.745 174.700 -0.701 0.000 0.993 399 T CA -0.610 61.222 62.100 -0.448 0.000 0.975 399 T CB 2.180 70.635 68.868 -0.687 0.000 0.981 399 T HN -0.014 nan 8.240 nan 0.000 0.439 400 K N 1.070 121.123 120.400 -0.578 0.000 2.352 400 K HA 0.909 5.229 4.320 -0.001 0.000 0.240 400 K C 0.013 176.395 176.600 -0.364 0.000 1.017 400 K CA -1.072 54.984 56.287 -0.386 0.000 0.851 400 K CB 2.232 34.638 32.500 -0.156 0.000 1.261 400 K HN 0.906 nan 8.250 nan 0.000 0.451 401 G N -0.526 108.160 108.800 -0.190 0.000 2.381 401 G HA2 0.237 4.197 3.960 -0.001 0.000 0.672 401 G HA3 0.237 4.197 3.960 -0.001 0.000 0.672 401 G C -1.527 172.966 174.900 -0.677 0.000 1.324 401 G CA -0.483 44.484 45.100 -0.221 0.000 0.975 401 G HN 0.616 nan 8.290 nan 0.000 0.593 402 A N 0.938 123.465 122.820 -0.488 0.000 3.175 402 A HA 0.718 5.038 4.320 -0.001 0.000 0.289 402 A C 0.088 177.575 177.584 -0.161 0.000 1.429 402 A CA 0.548 52.014 52.037 -0.950 0.000 1.155 402 A CB -0.830 17.891 19.000 -0.465 0.000 1.169 402 A HN 1.909 nan 8.150 nan 0.000 0.574 403 W N -0.812 120.384 121.300 -0.174 0.000 2.881 403 W HA 0.630 5.289 4.660 -0.001 0.000 0.380 403 W C -1.227 175.410 176.519 0.196 0.000 1.170 403 W CA -0.747 56.645 57.345 0.079 0.000 1.171 403 W CB 0.198 29.666 29.460 0.013 0.000 1.464 403 W HN 0.281 nan 8.180 nan 0.000 0.574 404 E N 0.476 120.877 120.200 0.334 0.000 2.393 404 E HA 0.475 4.824 4.350 -0.001 0.000 0.273 404 E C -1.260 175.505 176.600 0.276 0.000 0.918 404 E CA -1.156 55.319 56.400 0.125 0.000 0.773 404 E CB 3.280 33.038 29.700 0.097 0.000 1.275 404 E HN 0.178 nan 8.360 nan 0.000 0.451 405 V N 3.667 123.674 119.914 0.155 0.000 2.432 405 V HA 0.030 4.150 4.120 -0.001 0.000 0.271 405 V C 1.230 177.417 176.094 0.154 0.000 1.046 405 V CA -0.174 62.211 62.300 0.142 0.000 0.945 405 V CB 0.517 32.299 31.823 -0.069 0.000 0.992 405 V HN 0.694 nan 8.190 nan 0.000 0.471 406 I N 3.264 123.938 120.570 0.172 0.000 2.233 406 I HA -0.013 4.157 4.170 -0.001 0.000 0.243 406 I C 1.036 177.245 176.117 0.153 0.000 1.093 406 I CA 1.309 62.688 61.300 0.132 0.000 1.380 406 I CB -0.572 37.448 38.000 0.032 0.000 1.067 406 I HN 0.841 nan 8.210 nan 0.000 0.413 407 S N -0.457 115.339 115.700 0.159 0.000 2.542 407 S HA 0.517 4.987 4.470 -0.001 0.000 0.276 407 S C -0.786 173.905 174.600 0.151 0.000 1.148 407 S CA -0.857 57.438 58.200 0.159 0.000 0.886 407 S CB 1.500 64.796 63.200 0.160 0.000 1.109 407 S HN 0.047 nan 8.310 nan 0.000 0.458 408 I N 2.645 123.269 120.570 0.091 0.000 2.441 408 I HA 0.246 4.415 4.170 -0.001 0.000 0.287 408 I C 0.914 177.001 176.117 -0.050 0.000 1.049 408 I CA -0.264 61.007 61.300 -0.048 0.000 1.381 408 I CB 0.914 38.687 38.000 -0.378 0.000 1.409 408 I HN 0.786 nan 8.210 nan 0.000 0.523 409 E N 4.654 124.862 120.200 0.015 0.000 2.372 409 E HA 0.335 4.685 4.350 -0.001 0.000 0.201 409 E C -0.042 176.582 176.600 0.039 0.000 0.938 409 E CA 0.165 56.596 56.400 0.050 0.000 0.944 409 E CB 1.062 30.800 29.700 0.063 0.000 0.937 409 E HN 0.681 nan 8.360 nan 0.000 0.495 410 A N 0.719 123.562 122.820 0.038 0.000 2.594 410 A HA 0.524 4.844 4.320 -0.001 0.000 0.296 410 A C -2.032 175.627 177.584 0.125 0.000 1.056 410 A CA -0.669 51.416 52.037 0.080 0.000 0.693 410 A CB 1.009 20.016 19.000 0.012 0.000 1.278 410 A HN 0.033 nan 8.150 nan 0.000 0.408 411 L N 1.739 123.038 121.223 0.127 0.000 2.345 411 L HA 0.679 5.019 4.340 -0.001 0.000 0.274 411 L C 0.207 177.161 176.870 0.139 0.000 0.999 411 L CA 0.408 55.310 54.840 0.103 0.000 0.849 411 L CB 1.493 43.610 42.059 0.097 0.000 1.220 411 L HN 0.812 nan 8.230 nan 0.000 0.422 412 T N 1.322 115.972 114.554 0.161 0.000 2.849 412 T HA 0.235 4.585 4.350 -0.001 0.000 0.276 412 T C 1.269 176.014 174.700 0.076 0.000 0.971 412 T CA 0.018 62.205 62.100 0.144 0.000 0.949 412 T CB 1.346 70.351 68.868 0.229 0.000 1.093 412 T HN 0.679 nan 8.240 nan 0.000 0.545 413 S N 0.632 116.357 115.700 0.042 0.000 2.447 413 S HA -0.086 4.384 4.470 -0.001 0.000 0.233 413 S C 0.863 175.443 174.600 -0.033 0.000 1.006 413 S CA 1.410 59.622 58.200 0.020 0.000 0.957 413 S CB -0.323 62.880 63.200 0.006 0.000 0.773 413 S HN 0.857 nan 8.310 nan 0.000 0.507 414 D N -1.896 118.429 120.400 -0.124 0.000 2.510 414 D HA 0.222 4.862 4.640 -0.001 0.000 0.234 414 D C -0.176 175.944 176.300 -0.300 0.000 1.178 414 D CA -0.314 53.530 54.000 -0.260 0.000 0.816 414 D CB 0.107 40.638 40.800 -0.449 0.000 1.143 414 D HN 0.399 nan 8.370 nan 0.000 0.526 415 Y N 0.225 120.507 120.300 -0.030 0.000 2.545 415 Y HA 0.540 5.090 4.550 -0.001 0.000 0.348 415 Y C -1.310 174.506 175.900 -0.139 0.000 1.002 415 Y CA -1.806 56.216 58.100 -0.130 0.000 1.039 415 Y CB 2.539 40.858 38.460 -0.234 0.000 1.271 415 Y HN -0.151 nan 8.280 nan 0.000 0.467 416 L N 3.204 124.404 121.223 -0.038 0.000 2.372 416 L HA 0.493 4.832 4.340 -0.001 0.000 0.273 416 L C -1.991 174.818 176.870 -0.102 0.000 0.989 416 L CA -1.165 53.628 54.840 -0.078 0.000 0.841 416 L CB 0.092 42.030 42.059 -0.202 0.000 1.225 416 L HN 0.406 nan 8.230 nan 0.000 0.414 417 Y N 5.827 126.105 120.300 -0.037 0.000 2.313 417 Y HA 0.565 5.115 4.550 -0.001 0.000 0.332 417 Y C -0.044 175.857 175.900 0.002 0.000 1.071 417 Y CA 0.093 58.135 58.100 -0.096 0.000 1.169 417 Y CB 1.024 39.395 38.460 -0.148 0.000 1.192 417 Y HN 0.659 nan 8.280 nan 0.000 0.487 418 Y N -0.083 120.245 120.300 0.046 0.000 2.896 418 Y HA 0.857 5.406 4.550 -0.001 0.000 0.317 418 Y C -1.843 174.095 175.900 0.063 0.000 1.444 418 Y CA -2.228 55.891 58.100 0.032 0.000 1.084 418 Y CB 1.300 39.764 38.460 0.007 0.000 1.382 418 Y HN 0.354 nan 8.280 nan 0.000 0.471 419 I N 2.363 123.174 120.570 0.401 0.000 2.548 419 I HA 0.517 4.687 4.170 -0.001 0.000 0.287 419 I C -0.958 175.366 176.117 0.344 0.000 1.103 419 I CA -0.486 60.957 61.300 0.238 0.000 1.049 419 I CB 2.188 40.250 38.000 0.104 0.000 1.232 419 I HN 0.885 nan 8.210 nan 0.000 0.429 420 S N 3.452 119.333 115.700 0.303 0.000 2.740 420 S HA 0.508 4.978 4.470 -0.001 0.000 0.300 420 S C -0.430 174.255 174.600 0.143 0.000 1.147 420 S CA -0.770 57.591 58.200 0.269 0.000 0.871 420 S CB 1.885 65.343 63.200 0.431 0.000 1.173 420 S HN 0.645 nan 8.310 nan 0.000 0.510 421 N N -0.556 118.236 118.700 0.152 0.000 2.458 421 N HA 0.138 4.878 4.740 -0.001 0.000 0.274 421 N C 0.381 175.910 175.510 0.032 0.000 1.242 421 N CA -0.340 52.752 53.050 0.069 0.000 0.904 421 N CB 0.313 38.816 38.487 0.027 0.000 1.206 421 N HN 0.861 nan 8.380 nan 0.000 0.510 422 E N -0.121 119.983 120.200 -0.160 0.000 2.076 422 E HA -0.160 4.190 4.350 -0.001 0.000 0.190 422 E C -0.254 176.196 176.600 -0.249 0.000 0.979 422 E CA 0.051 56.093 56.400 -0.598 0.000 0.807 422 E CB -0.087 28.578 29.700 -1.725 0.000 0.761 422 E HN 0.324 nan 8.360 nan 0.000 0.454 423 Y N 2.178 122.393 120.300 -0.142 0.000 2.903 423 Y HA -0.151 4.399 4.550 -0.001 0.000 0.338 423 Y C 0.480 176.348 175.900 -0.052 0.000 1.265 423 Y CA 0.807 58.877 58.100 -0.050 0.000 1.532 423 Y CB 0.277 38.748 38.460 0.019 0.000 1.293 423 Y HN 0.106 nan 8.280 nan 0.000 0.609 424 K N 3.316 123.313 120.400 -0.672 0.000 2.905 424 K HA -0.367 3.953 4.320 -0.001 0.000 0.256 424 K C 0.198 176.698 176.600 -0.168 0.000 1.008 424 K CA 1.279 57.271 56.287 -0.491 0.000 0.752 424 K CB -0.914 31.230 32.500 -0.593 0.000 1.216 424 K HN 0.932 nan 8.250 nan 0.000 0.479 425 E N -1.718 118.406 120.200 -0.127 0.000 2.735 425 E HA -0.260 4.089 4.350 -0.001 0.000 0.261 425 E C -0.476 176.089 176.600 -0.058 0.000 1.137 425 E CA 1.176 57.550 56.400 -0.043 0.000 0.754 425 E CB -0.988 28.723 29.700 0.018 0.000 1.352 425 E HN 0.480 nan 8.360 nan 0.000 0.430 426 M N 1.199 120.693 119.600 -0.177 0.000 2.151 426 M HA 0.122 4.601 4.480 -0.001 0.000 0.349 426 M C -1.382 174.647 176.300 -0.452 0.000 1.284 426 M CA -1.660 53.347 55.300 -0.488 0.000 1.173 426 M CB 0.541 32.958 32.600 -0.305 0.000 1.469 426 M HN -0.157 nan 8.290 nan 0.000 0.439 427 P HA -0.060 nan 4.420 nan 0.000 0.230 427 P C 0.981 178.119 177.300 -0.271 0.000 1.158 427 P CA 1.079 63.990 63.100 -0.315 0.000 0.769 427 P CB 0.167 31.684 31.700 -0.306 0.000 0.807 428 G N -0.494 108.052 108.800 -0.424 0.000 3.141 428 G HA2 0.269 4.229 3.960 -0.001 0.000 0.218 428 G HA3 0.269 4.229 3.960 -0.001 0.000 0.218 428 G C 0.703 175.609 174.900 0.010 0.000 1.170 428 G CA 0.081 45.078 45.100 -0.172 0.000 0.769 428 G HN 0.425 nan 8.290 nan 0.000 0.546 429 G N -0.283 108.491 108.800 -0.043 0.000 2.471 429 G HA2 0.619 4.579 3.960 -0.001 0.000 0.332 429 G HA3 0.619 4.579 3.960 -0.001 0.000 0.332 429 G C -0.908 173.975 174.900 -0.028 0.000 1.176 429 G CA -0.751 44.388 45.100 0.064 0.000 0.949 429 G HN 0.035 nan 8.290 nan 0.000 0.488 430 R N 1.167 121.603 120.500 -0.107 0.000 2.483 430 R HA 0.426 4.766 4.340 -0.001 0.000 0.303 430 R C -1.091 175.206 176.300 -0.005 0.000 0.987 430 R CA -0.808 55.158 56.100 -0.224 0.000 0.881 430 R CB 1.561 31.415 30.300 -0.743 0.000 1.177 430 R HN 0.565 nan 8.270 nan 0.000 0.451 431 N N 1.762 120.510 118.700 0.080 0.000 2.262 431 N HA 0.317 5.057 4.740 -0.001 0.000 0.295 431 N C -1.156 174.352 175.510 -0.003 0.000 1.161 431 N CA -0.816 52.269 53.050 0.057 0.000 0.767 431 N CB 2.731 41.218 38.487 0.001 0.000 1.499 431 N HN 0.242 nan 8.380 nan 0.000 0.476 432 L N 2.930 123.996 121.223 -0.262 0.000 2.268 432 L HA 0.424 4.763 4.340 -0.001 0.000 0.289 432 L C -1.288 175.273 176.870 -0.514 0.000 1.064 432 L CA -0.049 54.597 54.840 -0.323 0.000 0.824 432 L CB -0.664 41.151 42.059 -0.407 0.000 1.202 432 L HN 0.373 nan 8.230 nan 0.000 0.433 433 Y N 3.992 123.872 120.300 -0.699 0.000 2.545 433 Y HA 0.693 5.243 4.550 -0.001 0.000 0.324 433 Y C 0.026 175.445 175.900 -0.803 0.000 1.220 433 Y CA -0.734 56.872 58.100 -0.822 0.000 1.290 433 Y CB 1.220 39.012 38.460 -1.113 0.000 1.355 433 Y HN 0.577 nan 8.280 nan 0.000 0.516 434 K N 0.928 121.048 120.400 -0.467 0.000 2.543 434 K HA 0.644 4.964 4.320 -0.001 0.000 0.255 434 K C -2.251 174.150 176.600 -0.332 0.000 0.934 434 K CA -0.456 55.507 56.287 -0.541 0.000 0.810 434 K CB 1.446 33.395 32.500 -0.918 0.000 1.315 434 K HN 0.678 nan 8.250 nan 0.000 0.433 435 I N 2.713 123.166 120.570 -0.195 0.000 2.509 435 I HA 0.225 4.394 4.170 -0.001 0.000 0.293 435 I C -0.410 175.766 176.117 0.098 0.000 1.020 435 I CA -1.039 60.245 61.300 -0.026 0.000 1.088 435 I CB 2.145 40.182 38.000 0.063 0.000 1.267 435 I HN 0.722 nan 8.210 nan 0.000 0.430 436 Q N 4.758 124.687 119.800 0.215 0.000 2.296 436 Q HA 0.256 4.595 4.340 -0.001 0.000 0.262 436 Q C 0.443 176.589 176.000 0.242 0.000 0.981 436 Q CA -0.290 55.742 55.803 0.381 0.000 0.905 436 Q CB 1.249 30.185 28.738 0.330 0.000 1.186 436 Q HN 0.675 nan 8.270 nan 0.000 0.399 437 L N 2.626 123.951 121.223 0.170 0.000 1.989 437 L HA -0.222 4.118 4.340 -0.001 0.000 0.211 437 L C 2.561 179.502 176.870 0.118 0.000 1.071 437 L CA 1.904 56.865 54.840 0.202 0.000 0.749 437 L CB -1.009 41.125 42.059 0.125 0.000 0.890 437 L HN 0.848 nan 8.230 nan 0.000 0.431 438 T N -3.488 111.078 114.554 0.021 0.000 2.803 438 T HA -0.204 4.145 4.350 -0.001 0.000 0.269 438 T C 0.889 175.530 174.700 -0.099 0.000 1.052 438 T CA 1.198 63.267 62.100 -0.051 0.000 1.136 438 T CB -0.181 68.663 68.868 -0.040 0.000 0.864 438 T HN 0.175 nan 8.240 nan 0.000 0.467 439 D N 0.588 120.977 120.400 -0.018 0.000 2.438 439 D HA 0.177 4.817 4.640 -0.001 0.000 0.257 439 D C -0.138 176.228 176.300 0.111 0.000 1.148 439 D CA -0.568 53.429 54.000 -0.004 0.000 0.902 439 D CB 0.474 41.290 40.800 0.028 0.000 1.062 439 D HN 0.230 nan 8.370 nan 0.000 0.518 440 H N 1.501 120.594 119.070 0.039 0.000 2.567 440 H HA 0.011 4.567 4.556 -0.001 0.000 0.281 440 H C 1.314 176.663 175.328 0.036 0.000 1.055 440 H CA 0.555 56.628 56.048 0.042 0.000 1.185 440 H CB 0.046 29.829 29.762 0.036 0.000 1.325 440 H HN 0.274 nan 8.280 nan 0.000 0.622 441 T N -1.140 113.496 114.554 0.138 0.000 3.042 441 T HA -0.025 4.324 4.350 -0.001 0.000 0.245 441 T C 1.718 176.458 174.700 0.066 0.000 1.029 441 T CA 0.677 62.828 62.100 0.084 0.000 1.120 441 T CB -0.155 68.745 68.868 0.053 0.000 0.917 441 T HN 0.651 nan 8.240 nan 0.000 0.467 442 N N 2.582 121.325 118.700 0.070 0.000 3.059 442 N HA 0.074 4.813 4.740 -0.001 0.000 0.321 442 N C 0.133 175.653 175.510 0.016 0.000 1.224 442 N CA 0.264 53.342 53.050 0.047 0.000 1.197 442 N CB -0.887 37.646 38.487 0.076 0.000 1.453 442 N HN 0.411 nan 8.380 nan 0.000 0.544 443 K N 0.793 121.203 120.400 0.017 0.000 2.292 443 K HA 0.270 4.590 4.320 -0.001 0.000 0.270 443 K C -0.699 175.885 176.600 -0.027 0.000 1.062 443 K CA -0.577 55.717 56.287 0.011 0.000 0.916 443 K CB 0.438 32.985 32.500 0.079 0.000 1.166 443 K HN 0.403 nan 8.250 nan 0.000 0.458 444 K N 4.140 124.468 120.400 -0.120 0.000 2.316 444 K HA 0.259 4.578 4.320 -0.001 0.000 0.251 444 K C -1.310 175.098 176.600 -0.319 0.000 0.934 444 K CA -0.842 55.335 56.287 -0.183 0.000 0.802 444 K CB 1.692 34.070 32.500 -0.203 0.000 1.171 444 K HN 0.720 nan 8.250 nan 0.000 0.426 445 C N 5.868 124.895 119.300 -0.455 0.000 2.435 445 C HA 0.368 4.828 4.460 -0.001 0.000 0.375 445 C C 1.246 175.861 174.990 -0.625 0.000 1.281 445 C CA -0.600 57.889 59.018 -0.881 0.000 1.963 445 C CB -0.934 26.130 27.740 -1.128 0.000 2.490 445 C HN 0.946 nan 8.230 nan 0.000 0.557 446 L N 4.748 125.587 121.223 -0.640 0.000 2.616 446 L HA 0.147 4.487 4.340 -0.001 0.000 0.229 446 L C 1.875 178.448 176.870 -0.495 0.000 1.110 446 L CA 0.581 55.135 54.840 -0.475 0.000 0.884 446 L CB -0.278 41.497 42.059 -0.474 0.000 1.115 446 L HN 0.897 nan 8.230 nan 0.000 0.481 447 S N -3.233 112.088 115.700 -0.632 0.000 2.649 447 S HA 0.012 4.482 4.470 -0.001 0.000 0.246 447 S C 1.728 176.045 174.600 -0.471 0.000 1.057 447 S CA -0.170 57.605 58.200 -0.708 0.000 1.051 447 S CB -0.231 62.175 63.200 -1.325 0.000 1.018 447 S HN 0.274 nan 8.310 nan 0.000 0.569 448 C N 3.144 122.101 119.300 -0.571 0.000 2.367 448 C HA -0.129 4.331 4.460 -0.001 0.000 0.276 448 C C 2.485 177.248 174.990 -0.379 0.000 1.195 448 C CA 1.531 60.130 59.018 -0.699 0.000 1.756 448 C CB -1.009 26.053 27.740 -1.129 0.000 2.046 448 C HN 0.632 nan 8.230 nan 0.000 0.453 449 D N 0.813 121.041 120.400 -0.286 0.000 2.088 449 D HA -0.088 4.552 4.640 -0.001 0.000 0.196 449 D C 2.024 178.292 176.300 -0.054 0.000 0.983 449 D CA 0.956 54.877 54.000 -0.132 0.000 0.846 449 D CB -0.922 39.807 40.800 -0.118 0.000 0.992 449 D HN 0.434 nan 8.370 nan 0.000 0.448 450 L N -0.295 120.897 121.223 -0.050 0.000 2.645 450 L HA -0.335 4.004 4.340 -0.001 0.000 0.241 450 L C 0.371 177.270 176.870 0.048 0.000 2.000 450 L CA 2.115 56.967 54.840 0.019 0.000 0.772 450 L CB -1.036 41.055 42.059 0.053 0.000 1.505 450 L HN 0.109 nan 8.230 nan 0.000 0.393 451 N N -0.719 118.034 118.700 0.088 0.000 2.703 451 N HA 0.171 4.911 4.740 -0.001 0.000 0.283 451 N C -1.861 173.687 175.510 0.064 0.000 1.851 451 N CA -0.741 52.346 53.050 0.062 0.000 0.826 451 N CB 0.787 39.303 38.487 0.049 0.000 1.239 451 N HN 0.228 nan 8.380 nan 0.000 0.495 452 P HA -0.236 nan 4.420 nan 0.000 0.219 452 P C 0.238 177.582 177.300 0.072 0.000 1.144 452 P CA 1.512 64.673 63.100 0.101 0.000 0.806 452 P CB 0.528 32.295 31.700 0.112 0.000 0.771 453 E N 0.154 120.378 120.200 0.041 0.000 2.060 453 E HA -0.063 4.287 4.350 -0.001 0.000 0.189 453 E C 2.381 178.983 176.600 0.002 0.000 0.974 453 E CA 0.678 57.091 56.400 0.021 0.000 0.808 453 E CB -0.895 28.811 29.700 0.009 0.000 0.768 453 E HN 0.190 nan 8.360 nan 0.000 0.453 454 R N -0.074 120.417 120.500 -0.015 0.000 2.156 454 R HA 0.185 4.524 4.340 -0.001 0.000 0.207 454 R C -0.349 175.903 176.300 -0.080 0.000 1.040 454 R CA 0.563 56.631 56.100 -0.053 0.000 1.013 454 R CB 0.327 30.584 30.300 -0.072 0.000 0.931 454 R HN 0.222 nan 8.270 nan 0.000 0.465 455 c N 0.896 119.452 118.600 -0.074 0.000 2.340 455 c HA 0.456 5.025 4.570 -0.001 0.000 0.323 455 c C 0.256 174.281 174.090 -0.109 0.000 1.260 455 c CA -0.745 55.465 56.329 -0.199 0.000 1.464 455 c CB 1.523 43.808 42.510 -0.374 0.000 2.156 455 c HN 0.484 nan 8.230 nan 0.000 0.476 456 Q N 0.085 119.826 119.800 -0.099 0.000 2.081 456 Q HA 0.156 4.496 4.340 -0.001 0.000 0.220 456 Q C -0.939 175.109 176.000 0.079 0.000 0.775 456 Q CA 0.106 55.945 55.803 0.060 0.000 0.983 456 Q CB 1.303 30.104 28.738 0.105 0.000 1.188 456 Q HN 0.809 nan 8.270 nan 0.000 0.458 457 Y N 0.598 120.772 120.300 -0.210 0.000 2.426 457 Y HA 0.379 4.929 4.550 -0.001 0.000 0.325 457 Y C -1.420 174.334 175.900 -0.243 0.000 0.989 457 Y CA -0.971 57.049 58.100 -0.134 0.000 1.284 457 Y CB 0.679 39.087 38.460 -0.087 0.000 1.104 457 Y HN -0.076 nan 8.280 nan 0.000 0.481 458 Y N 2.363 122.581 120.300 -0.136 0.000 2.420 458 Y HA 0.524 5.073 4.550 -0.001 0.000 0.334 458 Y C 0.280 176.125 175.900 -0.092 0.000 1.094 458 Y CA -0.537 57.512 58.100 -0.086 0.000 1.126 458 Y CB 2.070 40.469 38.460 -0.102 0.000 1.217 458 Y HN 0.483 nan 8.280 nan 0.000 0.462 459 S N 2.174 117.997 115.700 0.204 0.000 2.532 459 S HA 0.807 5.277 4.470 -0.001 0.000 0.301 459 S C -1.445 173.260 174.600 0.176 0.000 1.083 459 S CA -0.501 57.800 58.200 0.168 0.000 1.025 459 S CB 1.557 64.889 63.200 0.219 0.000 1.056 459 S HN 0.595 nan 8.310 nan 0.000 0.494 460 V N 1.956 121.951 119.914 0.136 0.000 3.164 460 V HA 0.967 5.086 4.120 -0.001 0.000 0.313 460 V C -0.966 175.230 176.094 0.169 0.000 1.188 460 V CA -0.121 62.253 62.300 0.123 0.000 1.058 460 V CB 2.278 34.112 31.823 0.019 0.000 1.110 460 V HN 1.188 nan 8.190 nan 0.000 0.453 461 S N 2.029 117.855 115.700 0.211 0.000 2.288 461 S HA 0.459 4.929 4.470 -0.001 0.000 0.258 461 S C -1.717 173.172 174.600 0.483 0.000 0.919 461 S CA -0.510 57.876 58.200 0.311 0.000 1.010 461 S CB 0.242 63.609 63.200 0.279 0.000 1.231 461 S HN 0.636 nan 8.310 nan 0.000 0.403 462 L N 3.833 125.210 121.223 0.257 0.000 2.334 462 L HA 0.669 5.008 4.340 -0.001 0.000 0.275 462 L C 0.992 177.593 176.870 -0.448 0.000 1.036 462 L CA -0.457 54.394 54.840 0.019 0.000 0.807 462 L CB 1.571 43.512 42.059 -0.197 0.000 1.231 462 L HN 0.725 nan 8.230 nan 0.000 0.438 463 S N 0.871 115.891 115.700 -1.133 0.000 2.576 463 S HA 0.125 4.595 4.470 -0.001 0.000 0.272 463 S C 1.187 175.447 174.600 -0.566 0.000 1.352 463 S CA -0.587 56.638 58.200 -1.625 0.000 1.021 463 S CB 0.583 62.897 63.200 -1.477 0.000 0.887 463 S HN 0.534 nan 8.310 nan 0.000 0.542 464 K N 1.778 121.990 120.400 -0.312 0.000 2.097 464 K HA -0.247 4.073 4.320 -0.001 0.000 0.223 464 K C 1.296 177.854 176.600 -0.070 0.000 1.049 464 K CA 2.547 58.780 56.287 -0.089 0.000 0.956 464 K CB -0.725 31.766 32.500 -0.015 0.000 0.746 464 K HN 0.886 nan 8.250 nan 0.000 0.461 465 E N -1.152 118.995 120.200 -0.087 0.000 2.558 465 E HA 0.318 4.668 4.350 -0.001 0.000 0.205 465 E C -0.299 176.261 176.600 -0.066 0.000 1.006 465 E CA 0.361 56.737 56.400 -0.040 0.000 0.961 465 E CB 0.544 30.242 29.700 -0.003 0.000 1.044 465 E HN 0.346 nan 8.360 nan 0.000 0.465 466 A N 1.494 124.219 122.820 -0.159 0.000 3.009 466 A HA -0.272 4.047 4.320 -0.001 0.000 0.264 466 A C 1.231 178.728 177.584 -0.145 0.000 1.408 466 A CA 1.274 53.186 52.037 -0.208 0.000 0.789 466 A CB -2.037 16.825 19.000 -0.229 0.000 1.040 466 A HN 0.289 nan 8.150 nan 0.000 0.576 467 K N -1.703 118.606 120.400 -0.152 0.000 2.243 467 K HA 0.208 4.527 4.320 -0.001 0.000 0.201 467 K C 0.120 176.377 176.600 -0.572 0.000 1.051 467 K CA 1.249 57.380 56.287 -0.261 0.000 0.970 467 K CB 0.070 32.477 32.500 -0.154 0.000 0.755 467 K HN 0.687 nan 8.250 nan 0.000 0.465 468 Y N -1.107 119.102 120.300 -0.153 0.000 2.638 468 Y HA 0.339 4.888 4.550 -0.001 0.000 0.339 468 Y C -1.131 174.790 175.900 0.034 0.000 1.084 468 Y CA -1.390 56.669 58.100 -0.067 0.000 1.068 468 Y CB 1.587 40.058 38.460 0.019 0.000 1.294 468 Y HN -0.020 nan 8.280 nan 0.000 0.480 469 Y N -0.828 119.640 120.300 0.281 0.000 2.376 469 Y HA 0.403 4.953 4.550 -0.001 0.000 0.321 469 Y C -1.353 174.725 175.900 0.296 0.000 1.189 469 Y CA -1.428 56.805 58.100 0.222 0.000 1.069 469 Y CB 1.015 39.453 38.460 -0.036 0.000 1.292 469 Y HN 0.638 nan 8.280 nan 0.000 0.430 470 Q N 4.330 124.437 119.800 0.511 0.000 2.230 470 Q HA 0.607 4.947 4.340 -0.001 0.000 0.248 470 Q C -1.678 174.524 176.000 0.336 0.000 0.915 470 Q CA -0.708 55.298 55.803 0.338 0.000 0.900 470 Q CB 1.489 30.329 28.738 0.171 0.000 1.229 470 Q HN 1.000 nan 8.270 nan 0.000 0.439 471 L N 1.784 123.189 121.223 0.302 0.000 2.346 471 L HA 0.584 4.924 4.340 -0.001 0.000 0.276 471 L C 0.094 177.140 176.870 0.293 0.000 1.006 471 L CA -0.854 54.141 54.840 0.258 0.000 0.817 471 L CB 2.133 44.283 42.059 0.152 0.000 1.272 471 L HN 0.809 nan 8.230 nan 0.000 0.421 472 G N 1.347 110.322 108.800 0.292 0.000 2.671 472 G HA2 0.317 4.277 3.960 -0.001 0.000 0.318 472 G HA3 0.317 4.277 3.960 -0.001 0.000 0.318 472 G C -0.715 174.172 174.900 -0.022 0.000 1.250 472 G CA -0.293 44.883 45.100 0.127 0.000 1.028 472 G HN 0.667 nan 8.290 nan 0.000 0.501 473 c N 5.413 123.833 118.600 -0.301 0.000 2.322 473 c HA 0.532 5.101 4.570 -0.001 0.000 0.343 473 c C 1.155 175.038 174.090 -0.345 0.000 1.190 473 c CA -0.891 55.165 56.329 -0.455 0.000 1.704 473 c CB -0.329 41.952 42.510 -0.381 0.000 2.293 473 c HN 0.727 nan 8.230 nan 0.000 0.523 474 R N 4.043 124.442 120.500 -0.168 0.000 2.334 474 R HA 0.222 4.561 4.340 -0.001 0.000 0.212 474 R C 1.379 177.672 176.300 -0.011 0.000 0.897 474 R CA 0.376 56.476 56.100 0.001 0.000 1.056 474 R CB -1.272 29.142 30.300 0.191 0.000 1.046 474 R HN 0.872 nan 8.270 nan 0.000 0.513 475 G N 3.008 111.745 108.800 -0.105 0.000 3.365 475 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.238 475 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.238 475 G C -1.445 173.439 174.900 -0.028 0.000 1.264 475 G CA -0.542 44.506 45.100 -0.086 0.000 0.876 475 G HN 0.016 nan 8.290 nan 0.000 0.610 476 P HA -0.169 nan 4.420 nan 0.000 0.222 476 P C 1.401 178.725 177.300 0.040 0.000 1.157 476 P CA 1.980 65.099 63.100 0.032 0.000 0.905 476 P CB -0.105 31.604 31.700 0.016 0.000 0.792 477 G N -1.634 107.126 108.800 -0.066 0.000 2.543 477 G HA2 0.429 4.388 3.960 -0.001 0.000 0.290 477 G HA3 0.429 4.388 3.960 -0.001 0.000 0.290 477 G C -0.599 174.054 174.900 -0.412 0.000 1.310 477 G CA -0.740 44.245 45.100 -0.192 0.000 1.025 477 G HN 0.030 nan 8.290 nan 0.000 0.502 478 L N 1.943 122.800 121.223 -0.611 0.000 2.578 478 L HA 0.113 4.453 4.340 -0.001 0.000 0.279 478 L C -1.571 175.087 176.870 -0.353 0.000 1.227 478 L CA -1.056 53.362 54.840 -0.704 0.000 0.900 478 L CB 0.004 41.773 42.059 -0.484 0.000 1.144 478 L HN 0.321 nan 8.230 nan 0.000 0.496 479 P HA -0.051 nan 4.420 nan 0.000 0.261 479 P C -0.773 176.364 177.300 -0.273 0.000 1.173 479 P CA -0.031 62.934 63.100 -0.224 0.000 0.760 479 P CB 0.892 32.558 31.700 -0.056 0.000 0.783 480 L N 5.731 126.714 121.223 -0.401 0.000 2.372 480 L HA 0.412 4.752 4.340 -0.001 0.000 0.273 480 L C -1.428 175.230 176.870 -0.352 0.000 0.989 480 L CA -0.985 53.696 54.840 -0.266 0.000 0.841 480 L CB 0.744 42.721 42.059 -0.137 0.000 1.225 480 L HN 0.169 nan 8.230 nan 0.000 0.414 481 Y N 3.400 123.702 120.300 0.004 0.000 2.385 481 Y HA 0.623 5.172 4.550 -0.001 0.000 0.341 481 Y C 0.734 176.594 175.900 -0.067 0.000 0.965 481 Y CA -0.461 57.639 58.100 -0.001 0.000 1.180 481 Y CB 1.366 39.815 38.460 -0.019 0.000 1.139 481 Y HN 0.664 nan 8.280 nan 0.000 0.502 482 T N 1.763 116.396 114.554 0.130 0.000 2.924 482 T HA 0.759 5.108 4.350 -0.001 0.000 0.291 482 T C -0.996 173.790 174.700 0.144 0.000 1.045 482 T CA -0.993 61.145 62.100 0.065 0.000 1.015 482 T CB 1.914 70.841 68.868 0.098 0.000 1.103 482 T HN 0.565 nan 8.240 nan 0.000 0.496 483 L N 1.160 122.381 121.223 -0.004 0.000 2.365 483 L HA 0.851 5.190 4.340 -0.001 0.000 0.273 483 L C -1.455 175.372 176.870 -0.072 0.000 1.000 483 L CA -0.634 54.266 54.840 0.100 0.000 0.819 483 L CB 1.494 43.580 42.059 0.045 0.000 1.284 483 L HN 0.835 nan 8.230 nan 0.000 0.418 484 H N 1.583 120.469 119.070 -0.306 0.000 2.797 484 H HA 0.655 5.211 4.556 -0.001 0.000 0.362 484 H C -0.940 174.158 175.328 -0.383 0.000 1.183 484 H CA -0.943 54.821 56.048 -0.473 0.000 1.197 484 H CB 1.225 30.404 29.762 -0.971 0.000 1.835 484 H HN 0.659 nan 8.280 nan 0.000 0.567 485 R N -0.111 120.286 120.500 -0.172 0.000 2.215 485 R HA 0.460 4.800 4.340 -0.001 0.000 0.336 485 R C 0.361 176.535 176.300 -0.209 0.000 0.996 485 R CA -0.401 55.543 56.100 -0.259 0.000 0.847 485 R CB 1.177 31.351 30.300 -0.210 0.000 1.127 485 R HN 0.480 nan 8.270 nan 0.000 0.465 486 S N 2.360 117.958 115.700 -0.169 0.000 2.393 486 S HA -0.258 4.212 4.470 -0.001 0.000 0.234 486 S C 1.205 175.853 174.600 0.080 0.000 1.064 486 S CA 2.419 60.682 58.200 0.106 0.000 1.088 486 S CB -0.331 62.908 63.200 0.065 0.000 0.939 486 S HN 0.861 nan 8.310 nan 0.000 0.448 487 T N 1.367 115.901 114.554 -0.033 0.000 2.594 487 T HA -0.233 4.116 4.350 -0.001 0.000 0.266 487 T C 1.277 175.991 174.700 0.023 0.000 1.070 487 T CA 2.028 64.127 62.100 -0.002 0.000 1.166 487 T CB -0.515 68.321 68.868 -0.054 0.000 0.862 487 T HN 0.866 nan 8.240 nan 0.000 0.436 488 D N -1.006 119.396 120.400 0.004 0.000 2.525 488 D HA 0.245 4.885 4.640 -0.001 0.000 0.231 488 D C 0.405 176.717 176.300 0.020 0.000 1.216 488 D CA -0.192 53.813 54.000 0.009 0.000 0.813 488 D CB -0.185 40.613 40.800 -0.004 0.000 1.108 488 D HN 0.250 nan 8.370 nan 0.000 0.524 489 Q N -0.401 119.425 119.800 0.043 0.000 2.465 489 Q HA -0.220 4.119 4.340 -0.001 0.000 0.248 489 Q C -0.303 175.732 176.000 0.058 0.000 0.819 489 Q CA 1.021 56.878 55.803 0.090 0.000 1.219 489 Q CB -1.954 26.854 28.738 0.116 0.000 1.472 489 Q HN 0.478 nan 8.270 nan 0.000 0.630 490 K N 1.838 122.231 120.400 -0.012 0.000 2.419 490 K HA 0.030 4.350 4.320 -0.001 0.000 0.282 490 K C -0.150 176.376 176.600 -0.124 0.000 1.056 490 K CA 0.122 56.381 56.287 -0.046 0.000 1.035 490 K CB 0.389 32.863 32.500 -0.044 0.000 0.921 490 K HN 0.242 nan 8.250 nan 0.000 0.472 491 E N 6.130 126.209 120.200 -0.202 0.000 2.161 491 E HA -0.054 4.296 4.350 -0.001 0.000 0.263 491 E C 0.770 177.204 176.600 -0.277 0.000 1.185 491 E CA -0.209 55.902 56.400 -0.482 0.000 0.938 491 E CB 0.311 29.736 29.700 -0.458 0.000 1.023 491 E HN 0.670 nan 8.360 nan 0.000 0.433 492 L N 4.546 125.630 121.223 -0.230 0.000 1.970 492 L HA -0.138 4.202 4.340 -0.001 0.000 0.212 492 L C 1.397 178.202 176.870 -0.107 0.000 1.071 492 L CA 1.491 56.266 54.840 -0.108 0.000 0.751 492 L CB -0.679 41.359 42.059 -0.034 0.000 0.889 492 L HN 0.632 nan 8.230 nan 0.000 0.432 493 R N -2.150 118.265 120.500 -0.142 0.000 2.741 493 R HA 0.492 4.832 4.340 -0.001 0.000 0.274 493 R C -1.571 174.636 176.300 -0.154 0.000 1.029 493 R CA -0.942 55.086 56.100 -0.120 0.000 0.880 493 R CB 1.638 31.894 30.300 -0.073 0.000 1.264 493 R HN -0.270 nan 8.270 nan 0.000 0.465 494 V N 2.739 122.574 119.914 -0.132 0.000 2.348 494 V HA 0.182 4.302 4.120 -0.001 0.000 0.270 494 V C 1.289 177.260 176.094 -0.205 0.000 1.037 494 V CA -0.422 61.795 62.300 -0.137 0.000 0.872 494 V CB 1.024 32.792 31.823 -0.091 0.000 1.002 494 V HN 0.634 nan 8.190 nan 0.000 0.464 495 L N 2.914 123.949 121.223 -0.313 0.000 2.131 495 L HA 0.157 4.496 4.340 -0.001 0.000 0.206 495 L C 0.814 177.375 176.870 -0.514 0.000 1.087 495 L CA 1.012 55.450 54.840 -0.671 0.000 0.767 495 L CB 0.160 41.553 42.059 -1.109 0.000 0.917 495 L HN 0.699 nan 8.230 nan 0.000 0.441 496 E N 0.460 120.541 120.200 -0.197 0.000 2.406 496 E HA 0.145 4.494 4.350 -0.001 0.000 0.297 496 E C -1.967 174.673 176.600 0.067 0.000 0.917 496 E CA -0.694 55.698 56.400 -0.014 0.000 0.795 496 E CB 0.972 30.729 29.700 0.096 0.000 1.285 496 E HN 0.135 nan 8.360 nan 0.000 0.400 497 D N 2.846 123.262 120.400 0.027 0.000 2.502 497 D HA 0.247 4.887 4.640 -0.001 0.000 0.249 497 D C -0.501 175.812 176.300 0.022 0.000 1.092 497 D CA -0.773 53.231 54.000 0.005 0.000 0.839 497 D CB 1.105 41.894 40.800 -0.019 0.000 1.264 497 D HN 0.383 nan 8.370 nan 0.000 0.511 498 N N 0.744 119.451 118.700 0.012 0.000 2.926 498 N HA -0.053 4.686 4.740 -0.001 0.000 0.284 498 N C 1.489 177.003 175.510 0.007 0.000 1.303 498 N CA 0.090 53.154 53.050 0.025 0.000 1.062 498 N CB 0.108 38.601 38.487 0.011 0.000 1.389 498 N HN 0.455 nan 8.380 nan 0.000 0.538 499 S N -0.345 115.361 115.700 0.009 0.000 2.372 499 S HA -0.334 4.136 4.470 -0.001 0.000 0.227 499 S C 2.163 176.778 174.600 0.025 0.000 1.044 499 S CA 1.121 59.325 58.200 0.007 0.000 1.050 499 S CB -0.548 62.659 63.200 0.010 0.000 0.901 499 S HN 0.432 nan 8.310 nan 0.000 0.447 500 A N 2.346 125.193 122.820 0.044 0.000 1.859 500 A HA -0.029 4.290 4.320 -0.001 0.000 0.217 500 A C 2.338 179.971 177.584 0.081 0.000 1.198 500 A CA 1.875 53.949 52.037 0.063 0.000 0.629 500 A CB -1.157 17.886 19.000 0.073 0.000 0.830 500 A HN 0.628 nan 8.150 nan 0.000 0.446 501 L N 0.219 121.495 121.223 0.088 0.000 2.079 501 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 501 L C 2.054 178.962 176.870 0.062 0.000 1.081 501 L CA 2.801 57.710 54.840 0.115 0.000 0.752 501 L CB -0.609 41.517 42.059 0.112 0.000 0.896 501 L HN 0.547 nan 8.230 nan 0.000 0.433 502 D N 0.032 120.440 120.400 0.013 0.000 2.092 502 D HA -0.270 4.370 4.640 -0.001 0.000 0.193 502 D C 2.155 178.459 176.300 0.006 0.000 0.994 502 D CA 2.218 56.206 54.000 -0.020 0.000 0.828 502 D CB 0.245 41.024 40.800 -0.034 0.000 0.963 502 D HN 0.448 nan 8.370 nan 0.000 0.450 503 K N 0.626 121.043 120.400 0.030 0.000 2.152 503 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 503 K C 2.294 178.934 176.600 0.066 0.000 1.048 503 K CA 1.631 57.943 56.287 0.042 0.000 0.933 503 K CB -0.774 31.754 32.500 0.047 0.000 0.721 503 K HN 0.341 nan 8.250 nan 0.000 0.447 504 M N -0.217 119.444 119.600 0.103 0.000 2.287 504 M HA 0.152 4.632 4.480 -0.001 0.000 0.266 504 M C 2.218 178.579 176.300 0.102 0.000 1.079 504 M CA 0.920 56.326 55.300 0.176 0.000 1.146 504 M CB -0.076 32.724 32.600 0.335 0.000 1.374 504 M HN 0.193 nan 8.290 nan 0.000 0.435 505 L N 0.080 121.292 121.223 -0.019 0.000 2.465 505 L HA -0.153 4.186 4.340 -0.001 0.000 0.224 505 L C 2.502 179.325 176.870 -0.078 0.000 1.145 505 L CA 0.366 55.110 54.840 -0.159 0.000 0.834 505 L CB -0.660 41.295 42.059 -0.173 0.000 0.944 505 L HN 0.361 nan 8.230 nan 0.000 0.451 506 Q N 0.343 120.132 119.800 -0.018 0.000 2.061 506 Q HA -0.190 4.150 4.340 -0.001 0.000 0.204 506 Q C 1.179 177.187 176.000 0.013 0.000 0.984 506 Q CA 1.397 57.198 55.803 -0.002 0.000 0.846 506 Q CB -0.290 28.457 28.738 0.015 0.000 0.902 506 Q HN 0.543 nan 8.270 nan 0.000 0.421 507 D N 0.258 120.681 120.400 0.039 0.000 2.332 507 D HA 0.049 4.688 4.640 -0.001 0.000 0.244 507 D C -0.134 176.202 176.300 0.060 0.000 1.136 507 D CA 0.171 54.207 54.000 0.060 0.000 0.884 507 D CB 0.418 41.271 40.800 0.089 0.000 0.906 507 D HN -0.038 nan 8.370 nan 0.000 0.520 508 V N 0.549 120.470 119.914 0.012 0.000 2.789 508 V HA 0.149 4.269 4.120 -0.001 0.000 0.311 508 V C 0.253 176.325 176.094 -0.035 0.000 1.073 508 V CA -0.929 61.371 62.300 0.000 0.000 0.921 508 V CB 2.527 34.307 31.823 -0.071 0.000 1.009 508 V HN -0.177 nan 8.190 nan 0.000 0.426 509 Q N 3.707 123.497 119.800 -0.016 0.000 3.159 509 Q HA 0.249 4.589 4.340 -0.001 0.000 0.280 509 Q C -0.170 175.765 176.000 -0.108 0.000 1.403 509 Q CA -0.209 55.551 55.803 -0.071 0.000 0.957 509 Q CB 0.099 28.796 28.738 -0.067 0.000 1.729 509 Q HN 0.542 nan 8.270 nan 0.000 0.551 510 M N 2.647 122.169 119.600 -0.130 0.000 2.252 510 M HA 0.151 4.631 4.480 -0.001 0.000 0.333 510 M C -1.814 174.392 176.300 -0.158 0.000 1.111 510 M CA -1.547 53.655 55.300 -0.163 0.000 1.140 510 M CB -0.499 32.004 32.600 -0.162 0.000 1.538 510 M HN 0.232 nan 8.290 nan 0.000 0.448 511 P HA 0.323 nan 4.420 nan 0.000 0.284 511 P C -0.858 176.352 177.300 -0.151 0.000 1.292 511 P CA -0.434 62.562 63.100 -0.172 0.000 0.800 511 P CB 0.796 32.384 31.700 -0.186 0.000 1.188 512 S N -1.073 114.529 115.700 -0.163 0.000 2.747 512 S HA 0.602 5.071 4.470 -0.001 0.000 0.300 512 S C -0.465 174.046 174.600 -0.148 0.000 1.121 512 S CA -0.749 57.374 58.200 -0.130 0.000 0.995 512 S CB 1.492 64.623 63.200 -0.116 0.000 1.113 512 S HN 0.534 nan 8.310 nan 0.000 0.547 513 K N 0.639 120.976 120.400 -0.106 0.000 2.578 513 K HA 0.343 4.663 4.320 -0.001 0.000 0.250 513 K C -1.334 175.217 176.600 -0.082 0.000 0.955 513 K CA -0.439 55.789 56.287 -0.099 0.000 0.825 513 K CB 1.317 33.779 32.500 -0.063 0.000 1.151 513 K HN 0.713 nan 8.250 nan 0.000 0.432 514 K N 4.517 124.854 120.400 -0.106 0.000 2.156 514 K HA 0.301 4.621 4.320 -0.001 0.000 0.271 514 K C -1.275 175.268 176.600 -0.094 0.000 0.995 514 K CA -0.756 55.476 56.287 -0.091 0.000 0.890 514 K CB 0.869 33.306 32.500 -0.105 0.000 1.073 514 K HN 0.422 nan 8.250 nan 0.000 0.454 515 L N 4.767 125.950 121.223 -0.067 0.000 2.454 515 L HA 0.405 4.745 4.340 -0.001 0.000 0.258 515 L C -1.191 175.668 176.870 -0.018 0.000 1.025 515 L CA -0.031 54.797 54.840 -0.021 0.000 0.901 515 L CB 0.719 42.845 42.059 0.112 0.000 1.210 515 L HN 0.734 nan 8.230 nan 0.000 0.457 516 D N 2.244 122.394 120.400 -0.416 0.000 2.712 516 D HA 0.561 5.201 4.640 -0.001 0.000 0.252 516 D C -1.322 174.566 176.300 -0.688 0.000 1.123 516 D CA -0.024 53.663 54.000 -0.521 0.000 1.109 516 D CB 2.251 42.791 40.800 -0.433 0.000 1.313 516 D HN 0.191 nan 8.370 nan 0.000 0.629 517 F N -0.296 119.303 119.950 -0.586 0.000 2.613 517 F HA 0.574 5.101 4.527 -0.001 0.000 0.310 517 F C -1.386 174.499 175.800 0.142 0.000 1.085 517 F CA -0.989 56.797 58.000 -0.356 0.000 0.945 517 F CB 1.002 39.218 39.000 -1.307 0.000 1.298 517 F HN 0.062 nan 8.300 nan 0.000 0.455 518 I N 2.139 122.998 120.570 0.483 0.000 3.100 518 I HA 0.755 4.925 4.170 -0.001 0.000 0.312 518 I C -1.246 175.136 176.117 0.441 0.000 1.063 518 I CA -1.510 59.975 61.300 0.308 0.000 1.031 518 I CB 2.208 40.343 38.000 0.225 0.000 1.243 518 I HN 0.722 nan 8.210 nan 0.000 0.483 519 V N 6.004 126.107 119.914 0.316 0.000 2.569 519 V HA 0.541 4.660 4.120 -0.001 0.000 0.301 519 V C -1.350 174.905 176.094 0.269 0.000 1.044 519 V CA -0.404 62.096 62.300 0.333 0.000 0.874 519 V CB 1.791 33.775 31.823 0.270 0.000 1.002 519 V HN 0.552 nan 8.190 nan 0.000 0.424 520 L N 5.257 126.702 121.223 0.369 0.000 2.319 520 L HA 0.647 4.987 4.340 -0.001 0.000 0.267 520 L C 0.827 177.844 176.870 0.245 0.000 1.011 520 L CA -1.106 53.888 54.840 0.257 0.000 0.818 520 L CB 1.747 43.936 42.059 0.217 0.000 1.316 520 L HN 0.678 nan 8.230 nan 0.000 0.432 521 N N 2.044 120.835 118.700 0.151 0.000 2.675 521 N HA -0.244 4.496 4.740 -0.001 0.000 0.252 521 N C -0.404 175.176 175.510 0.118 0.000 1.008 521 N CA 1.470 54.593 53.050 0.121 0.000 0.779 521 N CB -0.792 37.770 38.487 0.124 0.000 0.954 521 N HN 0.768 nan 8.380 nan 0.000 0.541 522 E N -3.008 117.260 120.200 0.114 0.000 2.442 522 E HA -0.186 4.164 4.350 -0.001 0.000 0.256 522 E C -0.810 175.828 176.600 0.063 0.000 1.095 522 E CA 0.859 57.310 56.400 0.085 0.000 0.747 522 E CB -1.803 27.931 29.700 0.058 0.000 1.310 522 E HN 0.364 nan 8.360 nan 0.000 0.396 523 T N 0.167 114.768 114.554 0.077 0.000 2.952 523 T HA 0.334 4.684 4.350 -0.001 0.000 0.305 523 T C -0.217 174.393 174.700 -0.150 0.000 1.064 523 T CA -0.910 61.143 62.100 -0.077 0.000 1.008 523 T CB 1.568 70.327 68.868 -0.181 0.000 1.078 523 T HN 0.076 nan 8.240 nan 0.000 0.459 524 R N 1.689 122.039 120.500 -0.250 0.000 2.449 524 R HA 0.346 4.685 4.340 -0.001 0.000 0.296 524 R C -1.011 175.089 176.300 -0.334 0.000 1.047 524 R CA 0.207 56.152 56.100 -0.258 0.000 1.018 524 R CB 0.250 30.250 30.300 -0.501 0.000 0.962 524 R HN 0.492 nan 8.270 nan 0.000 0.428 525 F N 2.686 122.751 119.950 0.192 0.000 2.577 525 F HA 0.228 4.754 4.527 -0.001 0.000 0.344 525 F C -0.429 175.492 175.800 0.202 0.000 1.145 525 F CA -0.864 57.233 58.000 0.162 0.000 0.996 525 F CB 0.887 40.006 39.000 0.199 0.000 1.248 525 F HN 0.428 nan 8.300 nan 0.000 0.447 526 W N 3.734 125.156 121.300 0.203 0.000 2.126 526 W HA 0.401 5.060 4.660 -0.001 0.000 0.346 526 W C -0.323 176.356 176.519 0.266 0.000 1.279 526 W CA -0.268 57.233 57.345 0.261 0.000 1.259 526 W CB 0.256 29.796 29.460 0.133 0.000 1.133 526 W HN 0.451 nan 8.180 nan 0.000 0.592 527 Y N -1.127 119.449 120.300 0.460 0.000 2.689 527 Y HA 0.588 5.138 4.550 -0.001 0.000 0.333 527 Y C -1.227 174.891 175.900 0.364 0.000 1.208 527 Y CA -1.899 56.475 58.100 0.457 0.000 1.055 527 Y CB 1.054 39.967 38.460 0.754 0.000 1.304 527 Y HN 0.533 nan 8.280 nan 0.000 0.455 528 Q N 2.013 122.035 119.800 0.369 0.000 2.345 528 Q HA 0.745 5.084 4.340 -0.001 0.000 0.275 528 Q C -1.907 174.201 176.000 0.179 0.000 1.063 528 Q CA -1.105 54.781 55.803 0.139 0.000 0.819 528 Q CB 3.273 32.077 28.738 0.111 0.000 1.356 528 Q HN 0.834 nan 8.270 nan 0.000 0.418 529 M N 2.633 122.262 119.600 0.048 0.000 2.395 529 M HA 0.492 4.971 4.480 -0.001 0.000 0.307 529 M C -1.088 175.135 176.300 -0.128 0.000 1.091 529 M CA -1.029 54.242 55.300 -0.048 0.000 0.919 529 M CB 2.192 34.725 32.600 -0.111 0.000 1.662 529 M HN 0.594 nan 8.290 nan 0.000 0.440 530 I N 4.797 125.279 120.570 -0.147 0.000 2.306 530 I HA 0.356 4.525 4.170 -0.001 0.000 0.288 530 I C -0.463 175.473 176.117 -0.301 0.000 1.036 530 I CA -0.340 60.849 61.300 -0.185 0.000 1.221 530 I CB 0.405 38.325 38.000 -0.133 0.000 1.385 530 I HN 0.631 nan 8.210 nan 0.000 0.472 531 L N 8.712 129.693 121.223 -0.402 0.000 2.276 531 L HA 0.391 4.731 4.340 -0.001 0.000 0.286 531 L C -1.959 174.651 176.870 -0.433 0.000 1.061 531 L CA -1.733 52.727 54.840 -0.633 0.000 0.807 531 L CB 1.040 42.565 42.059 -0.891 0.000 1.177 531 L HN 0.284 nan 8.230 nan 0.000 0.429 532 P HA 0.130 nan 4.420 nan 0.000 0.271 532 P C -2.337 174.864 177.300 -0.166 0.000 1.218 532 P CA -1.014 61.940 63.100 -0.243 0.000 0.780 532 P CB 0.430 32.011 31.700 -0.199 0.000 0.901 533 P HA -0.258 nan 4.420 nan 0.000 0.252 533 P C 0.771 177.935 177.300 -0.227 0.000 0.811 533 P CA 1.742 64.680 63.100 -0.269 0.000 1.111 533 P CB -0.763 30.737 31.700 -0.333 0.000 0.781 534 H N -1.534 117.569 119.070 0.056 0.000 3.262 534 H HA 0.078 4.633 4.556 -0.001 0.000 0.270 534 H C 0.373 175.770 175.328 0.115 0.000 1.431 534 H CA -0.426 55.662 56.048 0.066 0.000 1.237 534 H CB -1.883 27.906 29.762 0.046 0.000 1.443 534 H HN 0.101 nan 8.280 nan 0.000 0.609 535 F N 2.805 122.744 119.950 -0.019 0.000 2.548 535 F HA -0.107 4.419 4.527 -0.001 0.000 0.403 535 F C 0.319 176.133 175.800 0.023 0.000 1.004 535 F CA -0.239 57.717 58.000 -0.075 0.000 1.177 535 F CB 0.294 39.139 39.000 -0.258 0.000 0.974 535 F HN 0.159 nan 8.300 nan 0.000 0.541 536 D N 5.705 125.887 120.400 -0.364 0.000 2.454 536 D HA 0.185 4.825 4.640 -0.001 0.000 0.247 536 D C 0.666 176.627 176.300 -0.565 0.000 1.129 536 D CA -0.473 53.300 54.000 -0.380 0.000 0.877 536 D CB 1.000 41.740 40.800 -0.100 0.000 1.082 536 D HN 0.604 nan 8.370 nan 0.000 0.537 537 K N 1.135 121.090 120.400 -0.742 0.000 2.444 537 K HA -0.155 4.164 4.320 -0.001 0.000 0.200 537 K C 1.590 178.133 176.600 -0.095 0.000 1.045 537 K CA 1.419 57.434 56.287 -0.452 0.000 0.934 537 K CB 0.144 32.483 32.500 -0.269 0.000 0.756 537 K HN 0.490 nan 8.250 nan 0.000 0.477 538 S N -0.220 115.412 115.700 -0.112 0.000 2.439 538 S HA 0.018 4.488 4.470 -0.001 0.000 0.224 538 S C 0.794 175.365 174.600 -0.047 0.000 1.029 538 S CA 0.057 58.225 58.200 -0.052 0.000 0.946 538 S CB 0.168 63.329 63.200 -0.065 0.000 0.797 538 S HN 0.086 nan 8.310 nan 0.000 0.504 539 K N 0.963 121.311 120.400 -0.086 0.000 2.273 539 K HA 0.351 4.671 4.320 -0.001 0.000 0.240 539 K C -0.320 176.201 176.600 -0.132 0.000 1.056 539 K CA -0.269 55.915 56.287 -0.171 0.000 0.910 539 K CB 0.270 32.563 32.500 -0.345 0.000 1.196 539 K HN 0.043 nan 8.250 nan 0.000 0.509 540 K N 1.407 121.646 120.400 -0.267 0.000 2.376 540 K HA 0.324 4.644 4.320 -0.001 0.000 0.257 540 K C -1.248 175.181 176.600 -0.285 0.000 0.939 540 K CA -0.510 55.695 56.287 -0.136 0.000 0.809 540 K CB 1.320 33.759 32.500 -0.101 0.000 1.121 540 K HN 0.422 nan 8.250 nan 0.000 0.425 541 Y N 1.767 122.098 120.300 0.051 0.000 2.562 541 Y HA 0.388 4.937 4.550 -0.001 0.000 0.343 541 Y C -1.998 173.831 175.900 -0.119 0.000 1.025 541 Y CA -2.387 55.706 58.100 -0.010 0.000 1.082 541 Y CB 1.411 39.918 38.460 0.078 0.000 1.264 541 Y HN 0.412 nan 8.280 nan 0.000 0.478 542 P HA 0.199 nan 4.420 nan 0.000 0.278 542 P C -1.255 175.929 177.300 -0.193 0.000 1.238 542 P CA -0.218 62.621 63.100 -0.435 0.000 0.794 542 P CB 1.804 32.809 31.700 -1.158 0.000 0.955 543 L N 3.484 124.659 121.223 -0.081 0.000 2.346 543 L HA 0.607 4.947 4.340 -0.001 0.000 0.276 543 L C -1.207 175.839 176.870 0.294 0.000 1.006 543 L CA -0.899 54.000 54.840 0.098 0.000 0.817 543 L CB 1.441 43.553 42.059 0.088 0.000 1.272 543 L HN 0.203 nan 8.230 nan 0.000 0.421 544 L N 5.608 127.003 121.223 0.288 0.000 2.381 544 L HA 0.624 4.963 4.340 -0.001 0.000 0.274 544 L C -1.304 175.799 176.870 0.388 0.000 0.988 544 L CA -0.274 54.794 54.840 0.380 0.000 0.824 544 L CB 1.546 43.789 42.059 0.306 0.000 1.263 544 L HN 0.417 nan 8.230 nan 0.000 0.410 545 I N 3.862 124.716 120.570 0.472 0.000 2.353 545 I HA 0.321 4.490 4.170 -0.001 0.000 0.293 545 I C -0.155 176.223 176.117 0.435 0.000 0.992 545 I CA -0.242 61.322 61.300 0.441 0.000 1.268 545 I CB 1.351 39.619 38.000 0.447 0.000 1.387 545 I HN 0.612 nan 8.210 nan 0.000 0.478 546 D N 6.193 126.809 120.400 0.360 0.000 2.232 546 D HA 0.496 5.135 4.640 -0.001 0.000 0.242 546 D C -0.864 175.508 176.300 0.121 0.000 1.093 546 D CA -0.126 54.005 54.000 0.217 0.000 0.845 546 D CB 1.930 42.918 40.800 0.314 0.000 1.124 546 D HN 0.186 nan 8.370 nan 0.000 0.467 547 V N 3.665 123.552 119.914 -0.044 0.000 3.001 547 V HA 0.414 4.534 4.120 -0.001 0.000 0.314 547 V C -0.362 175.830 176.094 0.164 0.000 1.099 547 V CA -0.737 61.623 62.300 0.101 0.000 0.989 547 V CB 1.850 33.741 31.823 0.112 0.000 1.040 547 V HN 0.636 nan 8.190 nan 0.000 0.434 548 Y N 1.756 122.129 120.300 0.122 0.000 3.065 548 Y HA 0.550 5.100 4.550 -0.001 0.000 0.135 548 Y C 1.482 177.503 175.900 0.203 0.000 0.909 548 Y CA 1.076 59.271 58.100 0.158 0.000 1.898 548 Y CB -0.161 38.365 38.460 0.110 0.000 1.298 548 Y HN 1.135 nan 8.280 nan 0.000 0.255 549 A N 0.988 123.951 122.820 0.237 0.000 2.861 549 A HA -0.122 4.198 4.320 -0.001 0.000 0.261 549 A C 0.944 178.423 177.584 -0.175 0.000 1.351 549 A CA 1.344 53.426 52.037 0.076 0.000 0.904 549 A CB -2.401 16.744 19.000 0.242 0.000 1.076 549 A HN 1.169 nan 8.150 nan 0.000 0.729 550 G N -1.067 107.400 108.800 -0.556 0.000 2.562 550 G HA2 0.521 4.481 3.960 -0.001 0.000 0.275 550 G HA3 0.521 4.481 3.960 -0.001 0.000 0.275 550 G C -2.370 172.113 174.900 -0.695 0.000 1.196 550 G CA -1.112 43.247 45.100 -1.234 0.000 0.908 550 G HN 0.257 nan 8.290 nan 0.000 0.524 551 P HA 0.047 nan 4.420 nan 0.000 0.262 551 P C 0.573 177.692 177.300 -0.303 0.000 1.182 551 P CA 0.154 62.964 63.100 -0.483 0.000 0.761 551 P CB 0.574 31.651 31.700 -1.038 0.000 0.795 552 C N 2.583 121.721 119.300 -0.270 0.000 4.356 552 C HA -0.146 4.314 4.460 -0.001 0.000 0.296 552 C C 0.915 175.736 174.990 -0.281 0.000 1.424 552 C CA 1.167 59.962 59.018 -0.372 0.000 2.000 552 C CB -2.749 24.635 27.740 -0.593 0.000 1.262 552 C HN 0.780 nan 8.230 nan 0.000 0.789 553 S N -0.086 115.398 115.700 -0.361 0.000 2.672 553 S HA 0.665 5.135 4.470 -0.001 0.000 0.276 553 S C -0.674 173.820 174.600 -0.176 0.000 1.207 553 S CA -0.230 57.661 58.200 -0.515 0.000 1.002 553 S CB 1.856 64.236 63.200 -1.367 0.000 0.998 553 S HN 0.746 nan 8.310 nan 0.000 0.542 554 Q N 0.114 119.913 119.800 -0.002 0.000 2.406 554 Q HA 0.311 4.651 4.340 -0.001 0.000 0.244 554 Q C -0.679 175.419 176.000 0.163 0.000 0.884 554 Q CA -0.609 55.275 55.803 0.134 0.000 0.813 554 Q CB 1.008 29.924 28.738 0.296 0.000 1.368 554 Q HN 0.685 nan 8.270 nan 0.000 0.439 555 K N 0.796 121.289 120.400 0.156 0.000 2.348 555 K HA 0.272 4.591 4.320 -0.001 0.000 0.194 555 K C 0.184 176.880 176.600 0.161 0.000 1.052 555 K CA 0.483 56.880 56.287 0.183 0.000 1.004 555 K CB 1.016 33.647 32.500 0.218 0.000 0.873 555 K HN 0.488 nan 8.250 nan 0.000 0.523 556 A N 3.268 126.187 122.820 0.166 0.000 2.798 556 A HA 0.273 4.592 4.320 -0.001 0.000 0.316 556 A C -0.710 176.939 177.584 0.109 0.000 1.506 556 A CA -0.467 51.672 52.037 0.170 0.000 1.162 556 A CB -0.522 18.630 19.000 0.253 0.000 1.138 556 A HN 0.277 nan 8.150 nan 0.000 0.532 557 D N 0.033 120.465 120.400 0.053 0.000 2.566 557 D HA 0.561 5.201 4.640 -0.001 0.000 0.254 557 D C 0.053 176.327 176.300 -0.044 0.000 1.090 557 D CA -0.112 53.890 54.000 0.003 0.000 1.034 557 D CB 1.388 42.169 40.800 -0.032 0.000 1.434 557 D HN 0.146 nan 8.370 nan 0.000 0.509 558 A N -0.341 122.457 122.820 -0.037 0.000 2.734 558 A HA 0.622 4.942 4.320 -0.001 0.000 0.279 558 A C 0.388 177.893 177.584 -0.131 0.000 1.386 558 A CA -0.063 51.959 52.037 -0.025 0.000 0.987 558 A CB -1.190 17.852 19.000 0.070 0.000 1.041 558 A HN 0.698 nan 8.150 nan 0.000 0.569 559 A N -0.335 122.298 122.820 -0.312 0.000 2.303 559 A HA 0.643 4.962 4.320 -0.001 0.000 0.317 559 A C -0.470 177.057 177.584 -0.094 0.000 1.149 559 A CA -0.527 51.317 52.037 -0.321 0.000 0.822 559 A CB 0.260 18.904 19.000 -0.593 0.000 1.131 559 A HN 0.591 nan 8.150 nan 0.000 0.493 560 F N 1.900 121.771 119.950 -0.132 0.000 2.427 560 F HA 0.622 5.149 4.527 -0.001 0.000 0.352 560 F C 0.504 176.275 175.800 -0.048 0.000 1.100 560 F CA 0.166 58.117 58.000 -0.081 0.000 1.191 560 F CB 0.584 39.544 39.000 -0.066 0.000 1.128 560 F HN 0.603 nan 8.300 nan 0.000 0.533 561 R N 5.965 125.892 120.500 -0.953 0.000 2.604 561 R HA 0.480 4.820 4.340 -0.001 0.000 0.270 561 R C -1.790 174.096 176.300 -0.691 0.000 1.052 561 R CA -0.946 54.779 56.100 -0.626 0.000 0.902 561 R CB 1.972 32.123 30.300 -0.247 0.000 1.233 561 R HN 0.668 nan 8.270 nan 0.000 0.455 562 L N 4.334 125.344 121.223 -0.354 0.000 2.337 562 L HA 0.405 4.745 4.340 -0.001 0.000 0.269 562 L C -0.680 176.268 176.870 0.129 0.000 1.018 562 L CA -0.687 54.062 54.840 -0.152 0.000 0.876 562 L CB 0.668 42.741 42.059 0.022 0.000 1.236 562 L HN 0.727 nan 8.230 nan 0.000 0.436 563 N N 0.242 118.982 118.700 0.067 0.000 3.294 563 N HA 0.207 4.946 4.740 -0.001 0.000 0.355 563 N C 0.285 175.569 175.510 -0.376 0.000 1.497 563 N CA -0.853 52.209 53.050 0.019 0.000 0.707 563 N CB 0.187 38.714 38.487 0.066 0.000 1.732 563 N HN 0.310 nan 8.380 nan 0.000 0.640 564 W N 0.479 121.210 121.300 -0.948 0.000 2.381 564 W HA 0.215 4.875 4.660 -0.001 0.000 0.301 564 W C 2.014 178.425 176.519 -0.180 0.000 1.205 564 W CA 2.473 59.325 57.345 -0.821 0.000 1.285 564 W CB -1.006 28.074 29.460 -0.633 0.000 1.133 564 W HN 0.666 nan 8.180 nan 0.000 0.521 565 A N -0.317 122.475 122.820 -0.045 0.000 2.084 565 A HA -0.219 4.100 4.320 -0.001 0.000 0.221 565 A C 1.899 179.403 177.584 -0.132 0.000 1.161 565 A CA 2.422 54.381 52.037 -0.130 0.000 0.653 565 A CB -1.170 17.843 19.000 0.022 0.000 0.802 565 A HN 0.329 nan 8.150 nan 0.000 0.457 566 T N -1.581 112.940 114.554 -0.054 0.000 2.701 566 T HA -0.145 4.205 4.350 -0.001 0.000 0.263 566 T C 1.792 176.568 174.700 0.126 0.000 1.040 566 T CA 1.541 63.627 62.100 -0.022 0.000 1.147 566 T CB -0.491 68.311 68.868 -0.110 0.000 0.865 566 T HN 0.664 nan 8.240 nan 0.000 0.426 567 Y N 2.244 122.638 120.300 0.157 0.000 2.128 567 Y HA -0.146 4.404 4.550 -0.001 0.000 0.284 567 Y C 2.009 177.857 175.900 -0.087 0.000 1.154 567 Y CA 1.181 59.333 58.100 0.087 0.000 1.149 567 Y CB -0.763 37.699 38.460 0.004 0.000 0.976 567 Y HN 0.104 nan 8.280 nan 0.000 0.505 568 L N -0.027 120.964 121.223 -0.388 0.000 2.081 568 L HA -0.293 4.047 4.340 -0.001 0.000 0.212 568 L C 2.716 179.370 176.870 -0.360 0.000 1.080 568 L CA 1.437 55.959 54.840 -0.531 0.000 0.754 568 L CB -0.942 40.773 42.059 -0.573 0.000 0.893 568 L HN 0.486 nan 8.230 nan 0.000 0.433 569 A N -1.468 121.201 122.820 -0.252 0.000 1.871 569 A HA -0.128 4.192 4.320 -0.001 0.000 0.211 569 A C 2.459 179.943 177.584 -0.166 0.000 1.207 569 A CA 1.219 53.136 52.037 -0.200 0.000 0.620 569 A CB -0.565 18.318 19.000 -0.196 0.000 0.860 569 A HN 0.279 nan 8.150 nan 0.000 0.450 570 S N -0.846 114.780 115.700 -0.122 0.000 2.383 570 S HA -0.131 4.339 4.470 -0.001 0.000 0.229 570 S C 1.746 176.304 174.600 -0.070 0.000 1.030 570 S CA 2.403 60.565 58.200 -0.063 0.000 1.002 570 S CB -0.275 62.956 63.200 0.053 0.000 0.829 570 S HN 0.579 nan 8.310 nan 0.000 0.467 571 T N 0.385 114.835 114.554 -0.173 0.000 2.978 571 T HA 0.246 4.596 4.350 -0.001 0.000 0.248 571 T C 1.170 175.732 174.700 -0.230 0.000 1.018 571 T CA 0.035 62.025 62.100 -0.184 0.000 1.026 571 T CB 0.131 68.891 68.868 -0.180 0.000 1.032 571 T HN 0.265 nan 8.240 nan 0.000 0.485 572 E N 1.559 121.550 120.200 -0.349 0.000 2.474 572 E HA 0.181 4.531 4.350 -0.001 0.000 0.195 572 E C 0.025 176.569 176.600 -0.094 0.000 1.039 572 E CA -0.087 56.182 56.400 -0.219 0.000 0.881 572 E CB 0.019 29.550 29.700 -0.282 0.000 0.970 572 E HN 0.281 nan 8.360 nan 0.000 0.486 573 N N 0.951 119.601 118.700 -0.083 0.000 2.725 573 N HA -0.198 4.542 4.740 -0.001 0.000 0.251 573 N C -0.623 174.913 175.510 0.043 0.000 1.031 573 N CA 0.753 53.818 53.050 0.024 0.000 0.720 573 N CB -1.398 37.170 38.487 0.135 0.000 0.930 573 N HN 0.295 nan 8.380 nan 0.000 0.543 574 I N 0.716 121.248 120.570 -0.064 0.000 2.493 574 I HA 0.386 4.556 4.170 -0.001 0.000 0.298 574 I C 0.895 176.948 176.117 -0.107 0.000 0.998 574 I CA -0.755 60.513 61.300 -0.053 0.000 1.137 574 I CB 1.734 39.721 38.000 -0.023 0.000 1.310 574 I HN -0.077 nan 8.210 nan 0.000 0.445 575 I N 5.932 126.448 120.570 -0.089 0.000 2.325 575 I HA 0.206 4.375 4.170 -0.001 0.000 0.291 575 I C -0.444 175.639 176.117 -0.056 0.000 1.019 575 I CA -0.517 60.696 61.300 -0.146 0.000 1.302 575 I CB 1.298 39.209 38.000 -0.149 0.000 1.401 575 I HN 0.199 nan 8.210 nan 0.000 0.485 576 V N 6.697 126.571 119.914 -0.066 0.000 2.370 576 V HA 0.668 4.788 4.120 -0.001 0.000 0.279 576 V C 0.292 176.416 176.094 0.050 0.000 1.029 576 V CA -0.380 61.940 62.300 0.034 0.000 0.870 576 V CB 1.186 33.024 31.823 0.025 0.000 0.984 576 V HN 0.841 nan 8.190 nan 0.000 0.451 577 A N 4.032 126.931 122.820 0.131 0.000 2.454 577 A HA 0.949 5.269 4.320 -0.001 0.000 0.302 577 A C -0.392 177.386 177.584 0.324 0.000 1.079 577 A CA -0.545 51.589 52.037 0.161 0.000 0.731 577 A CB 2.014 21.000 19.000 -0.023 0.000 1.299 577 A HN 0.701 nan 8.150 nan 0.000 0.413 578 S N -0.122 115.810 115.700 0.388 0.000 2.570 578 S HA 0.795 5.265 4.470 -0.001 0.000 0.286 578 S C -1.406 173.549 174.600 0.593 0.000 1.099 578 S CA -0.354 58.100 58.200 0.424 0.000 0.913 578 S CB 1.456 64.842 63.200 0.311 0.000 1.085 578 S HN 0.909 nan 8.310 nan 0.000 0.480 579 F N 1.876 122.042 119.950 0.361 0.000 2.617 579 F HA 0.365 4.892 4.527 -0.001 0.000 0.325 579 F C -1.503 174.463 175.800 0.277 0.000 1.179 579 F CA -0.671 57.551 58.000 0.370 0.000 0.965 579 F CB 1.158 40.321 39.000 0.271 0.000 1.232 579 F HN 0.413 nan 8.300 nan 0.000 0.461 580 D N 5.083 125.351 120.400 -0.221 0.000 2.374 580 D HA 0.306 4.946 4.640 -0.001 0.000 0.240 580 D C 0.491 176.602 176.300 -0.315 0.000 1.229 580 D CA 0.345 54.264 54.000 -0.135 0.000 0.895 580 D CB 1.421 42.231 40.800 0.017 0.000 1.046 580 D HN 0.750 nan 8.370 nan 0.000 0.498 581 G N 1.742 110.473 108.800 -0.116 0.000 2.695 581 G HA2 0.264 4.223 3.960 -0.001 0.000 0.213 581 G HA3 0.264 4.223 3.960 -0.001 0.000 0.213 581 G C 0.225 175.189 174.900 0.108 0.000 1.406 581 G CA -0.692 44.379 45.100 -0.048 0.000 1.049 581 G HN 0.306 nan 8.290 nan 0.000 0.573 582 R N -0.560 119.968 120.500 0.047 0.000 2.698 582 R HA 0.389 4.729 4.340 -0.001 0.000 0.266 582 R C 0.756 177.101 176.300 0.075 0.000 1.026 582 R CA 1.191 57.373 56.100 0.137 0.000 1.102 582 R CB 0.147 30.496 30.300 0.080 0.000 0.978 582 R HN 1.122 nan 8.270 nan 0.000 0.436 583 G N 1.633 110.472 108.800 0.066 0.000 2.587 583 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.245 583 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.245 583 G C -0.332 174.543 174.900 -0.041 0.000 0.959 583 G CA 0.291 45.404 45.100 0.023 0.000 1.268 583 G HN 0.886 nan 8.290 nan 0.000 0.448 584 S N 0.037 115.696 115.700 -0.069 0.000 2.655 584 S HA 0.870 5.340 4.470 -0.001 0.000 0.263 584 S C 1.258 175.752 174.600 -0.176 0.000 1.091 584 S CA 0.439 58.559 58.200 -0.133 0.000 0.865 584 S CB 0.542 63.700 63.200 -0.070 0.000 1.146 584 S HN 2.674 nan 8.310 nan 0.000 0.482 585 G N 0.404 109.096 108.800 -0.180 0.000 2.568 585 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.797 585 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.797 585 G C -0.569 174.117 174.900 -0.357 0.000 1.336 585 G CA 0.753 45.767 45.100 -0.144 0.000 0.908 585 G HN 1.443 nan 8.290 nan 0.000 0.533 586 Y N 0.341 120.613 120.300 -0.048 0.000 2.850 586 Y HA 0.519 5.068 4.550 -0.001 0.000 0.360 586 Y C 1.372 177.239 175.900 -0.055 0.000 1.174 586 Y CA -0.332 57.736 58.100 -0.053 0.000 1.373 586 Y CB 0.628 39.088 38.460 0.000 0.000 1.487 586 Y HN 0.460 nan 8.280 nan 0.000 0.553 587 Q N 0.768 120.546 119.800 -0.036 0.000 2.112 587 Q HA 0.447 4.787 4.340 -0.001 0.000 0.222 587 Q C 0.440 176.271 176.000 -0.281 0.000 0.798 587 Q CA -0.103 55.672 55.803 -0.047 0.000 1.060 587 Q CB 1.562 30.270 28.738 -0.050 0.000 1.184 587 Q HN 0.680 nan 8.270 nan 0.000 0.475 588 G N 0.724 109.248 108.800 -0.460 0.000 2.650 588 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.686 588 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.686 588 G C -0.554 173.963 174.900 -0.637 0.000 1.205 588 G CA -0.628 43.949 45.100 -0.871 0.000 0.781 588 G HN 0.073 nan 8.290 nan 0.000 0.648 589 D N 0.197 120.171 120.400 -0.709 0.000 2.178 589 D HA -0.082 4.558 4.640 -0.001 0.000 0.201 589 D C 2.220 178.188 176.300 -0.553 0.000 0.980 589 D CA 1.322 54.847 54.000 -0.791 0.000 0.842 589 D CB 0.004 40.191 40.800 -1.022 0.000 0.948 589 D HN 0.624 nan 8.370 nan 0.000 0.472 590 K N 0.604 120.747 120.400 -0.428 0.000 2.059 590 K HA -0.180 4.139 4.320 -0.001 0.000 0.212 590 K C 2.117 178.625 176.600 -0.154 0.000 1.050 590 K CA 1.099 57.239 56.287 -0.244 0.000 0.927 590 K CB -0.147 32.234 32.500 -0.199 0.000 0.714 590 K HN 0.132 nan 8.250 nan 0.000 0.447 591 I N 0.340 120.807 120.570 -0.173 0.000 2.235 591 I HA -0.254 3.915 4.170 -0.001 0.000 0.241 591 I C 2.696 178.787 176.117 -0.043 0.000 1.085 591 I CA 0.988 62.253 61.300 -0.057 0.000 1.378 591 I CB -0.161 37.803 38.000 -0.060 0.000 1.076 591 I HN 0.332 nan 8.210 nan 0.000 0.415 592 M N 0.367 119.886 119.600 -0.135 0.000 2.065 592 M HA -0.269 4.211 4.480 -0.001 0.000 0.259 592 M C 2.188 178.550 176.300 0.104 0.000 1.069 592 M CA 2.026 57.284 55.300 -0.069 0.000 1.110 592 M CB -0.361 32.119 32.600 -0.200 0.000 1.328 592 M HN 0.222 nan 8.290 nan 0.000 0.405 593 H N 0.291 119.229 119.070 -0.220 0.000 2.563 593 H HA 0.170 4.725 4.556 -0.001 0.000 0.272 593 H C 1.912 177.245 175.328 0.009 0.000 1.005 593 H CA 0.780 56.740 56.048 -0.146 0.000 1.171 593 H CB -0.808 28.785 29.762 -0.281 0.000 1.351 593 H HN 0.551 nan 8.280 nan 0.000 0.602 594 A N 0.484 123.371 122.820 0.111 0.000 2.032 594 A HA -0.153 4.167 4.320 -0.001 0.000 0.221 594 A C 2.264 179.898 177.584 0.084 0.000 1.165 594 A CA 1.293 53.380 52.037 0.082 0.000 0.645 594 A CB -0.585 18.459 19.000 0.072 0.000 0.807 594 A HN 0.424 nan 8.150 nan 0.000 0.453 595 I N -1.003 119.631 120.570 0.106 0.000 3.427 595 I HA -0.045 4.125 4.170 -0.001 0.000 0.288 595 I C 0.675 176.835 176.117 0.070 0.000 1.249 595 I CA -0.240 61.098 61.300 0.063 0.000 1.421 595 I CB -0.338 37.675 38.000 0.022 0.000 1.086 595 I HN 0.314 nan 8.210 nan 0.000 0.448 596 N N 2.662 121.470 118.700 0.180 0.000 2.052 596 N HA -0.226 4.514 4.740 -0.001 0.000 0.283 596 N C 0.575 176.134 175.510 0.083 0.000 1.272 596 N CA 0.997 54.159 53.050 0.187 0.000 0.810 596 N CB 0.286 38.899 38.487 0.210 0.000 1.042 596 N HN 0.055 nan 8.380 nan 0.000 0.483 597 K N -0.307 120.118 120.400 0.043 0.000 3.529 597 K HA -0.253 4.067 4.320 -0.001 0.000 0.313 597 K C -0.588 176.033 176.600 0.035 0.000 1.316 597 K CA 1.661 57.983 56.287 0.058 0.000 0.988 597 K CB -1.287 31.294 32.500 0.134 0.000 1.252 597 K HN 0.904 nan 8.250 nan 0.000 0.438 598 R N -0.131 120.325 120.500 -0.075 0.000 2.734 598 R HA 0.421 4.760 4.340 -0.001 0.000 0.242 598 R C -0.022 176.199 176.300 -0.132 0.000 1.617 598 R CA -0.531 55.452 56.100 -0.195 0.000 1.572 598 R CB -0.280 29.791 30.300 -0.381 0.000 1.477 598 R HN -0.065 nan 8.270 nan 0.000 0.707 599 L N 0.993 122.131 121.223 -0.141 0.000 2.476 599 L HA 0.416 4.756 4.340 -0.001 0.000 0.264 599 L C 1.301 178.268 176.870 0.163 0.000 1.224 599 L CA 0.787 55.617 54.840 -0.017 0.000 0.821 599 L CB 0.401 42.332 42.059 -0.212 0.000 1.101 599 L HN 0.886 nan 8.230 nan 0.000 0.488 600 G N 0.483 109.473 108.800 0.316 0.000 2.160 600 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.251 600 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.251 600 G C 0.291 175.226 174.900 0.058 0.000 1.008 600 G CA 0.448 45.681 45.100 0.221 0.000 0.724 600 G HN 0.708 nan 8.290 nan 0.000 0.514 601 T N -0.434 114.145 114.554 0.042 0.000 2.233 601 T HA 0.367 4.717 4.350 -0.001 0.000 0.172 601 T C 2.296 176.998 174.700 0.003 0.000 0.740 601 T CA 0.233 62.331 62.100 -0.003 0.000 1.172 601 T CB -0.206 68.640 68.868 -0.037 0.000 2.941 601 T HN 0.096 nan 8.240 nan 0.000 0.398 602 L N 2.097 123.323 121.223 0.004 0.000 2.043 602 L HA -0.135 4.204 4.340 -0.001 0.000 0.212 602 L C 2.894 179.775 176.870 0.019 0.000 1.075 602 L CA 1.711 56.554 54.840 0.006 0.000 0.752 602 L CB -0.964 41.103 42.059 0.012 0.000 0.891 602 L HN 0.588 nan 8.230 nan 0.000 0.432 603 E N 0.960 121.191 120.200 0.052 0.000 2.153 603 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 603 E C 2.052 178.700 176.600 0.080 0.000 0.988 603 E CA 1.644 58.095 56.400 0.084 0.000 0.811 603 E CB -0.696 29.088 29.700 0.140 0.000 0.746 603 E HN 0.406 nan 8.360 nan 0.000 0.466 604 V N 1.676 121.616 119.914 0.043 0.000 2.239 604 V HA -0.222 3.898 4.120 -0.001 0.000 0.242 604 V C 2.441 178.521 176.094 -0.024 0.000 1.038 604 V CA 2.043 64.336 62.300 -0.012 0.000 1.002 604 V CB -0.833 30.947 31.823 -0.072 0.000 0.641 604 V HN 0.172 nan 8.190 nan 0.000 0.449 605 E N 0.547 120.729 120.200 -0.030 0.000 2.055 605 E HA -0.325 4.025 4.350 -0.001 0.000 0.209 605 E C 1.937 178.501 176.600 -0.061 0.000 1.036 605 E CA 2.046 58.421 56.400 -0.042 0.000 0.849 605 E CB -0.377 29.299 29.700 -0.039 0.000 0.767 605 E HN 0.590 nan 8.360 nan 0.000 0.461 606 D N -0.059 120.305 120.400 -0.061 0.000 2.239 606 D HA -0.197 4.443 4.640 -0.001 0.000 0.202 606 D C 1.891 178.116 176.300 -0.124 0.000 0.993 606 D CA 1.090 55.029 54.000 -0.101 0.000 0.874 606 D CB -0.238 40.538 40.800 -0.039 0.000 0.922 606 D HN 0.082 nan 8.370 nan 0.000 0.464 607 Q N -0.227 119.564 119.800 -0.014 0.000 2.230 607 Q HA 0.036 4.376 4.340 -0.001 0.000 0.202 607 Q C 1.998 177.987 176.000 -0.019 0.000 0.963 607 Q CA 0.669 56.484 55.803 0.021 0.000 0.866 607 Q CB -0.027 28.753 28.738 0.070 0.000 0.931 607 Q HN 0.367 nan 8.270 nan 0.000 0.452 608 I N -0.265 120.294 120.570 -0.018 0.000 2.235 608 I HA -0.187 3.983 4.170 -0.001 0.000 0.241 608 I C 2.102 178.142 176.117 -0.127 0.000 1.085 608 I CA 0.768 62.103 61.300 0.059 0.000 1.378 608 I CB -0.252 37.781 38.000 0.055 0.000 1.076 608 I HN 0.164 nan 8.210 nan 0.000 0.415 609 E N 1.152 121.221 120.200 -0.219 0.000 2.114 609 E HA -0.277 4.073 4.350 -0.001 0.000 0.199 609 E C 2.262 178.534 176.600 -0.546 0.000 1.008 609 E CA 1.676 57.885 56.400 -0.319 0.000 0.810 609 E CB -0.312 29.206 29.700 -0.304 0.000 0.739 609 E HN 0.492 nan 8.360 nan 0.000 0.456 610 A N 0.982 123.314 122.820 -0.813 0.000 1.948 610 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 610 A C 2.367 179.237 177.584 -1.190 0.000 1.177 610 A CA 2.318 53.554 52.037 -1.336 0.000 0.636 610 A CB -0.488 17.573 19.000 -1.565 0.000 0.815 610 A HN 0.297 nan 8.150 nan 0.000 0.449 611 A N -0.778 121.714 122.820 -0.546 0.000 1.930 611 A HA -0.045 4.274 4.320 -0.001 0.000 0.215 611 A C 2.223 179.618 177.584 -0.314 0.000 1.176 611 A CA 1.006 52.865 52.037 -0.296 0.000 0.632 611 A CB -0.363 18.515 19.000 -0.202 0.000 0.819 611 A HN 0.430 nan 8.150 nan 0.000 0.445 612 R N -0.193 120.113 120.500 -0.325 0.000 2.082 612 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 612 R C 2.224 178.365 176.300 -0.265 0.000 1.136 612 R CA 1.587 57.535 56.100 -0.253 0.000 0.935 612 R CB -0.772 29.396 30.300 -0.220 0.000 0.842 612 R HN 0.562 nan 8.270 nan 0.000 0.430 613 Q N 0.073 119.648 119.800 -0.375 0.000 2.112 613 Q HA -0.127 4.213 4.340 -0.001 0.000 0.206 613 Q C 2.209 178.075 176.000 -0.223 0.000 0.987 613 Q CA 1.521 57.119 55.803 -0.342 0.000 0.858 613 Q CB -0.499 27.947 28.738 -0.488 0.000 0.905 613 Q HN 0.468 nan 8.270 nan 0.000 0.420 614 F N 0.274 120.056 119.950 -0.281 0.000 2.216 614 F HA -0.159 4.368 4.527 -0.001 0.000 0.300 614 F C 2.254 177.845 175.800 -0.348 0.000 1.085 614 F CA 0.131 57.952 58.000 -0.298 0.000 1.326 614 F CB -0.084 38.782 39.000 -0.223 0.000 1.027 614 F HN 0.035 nan 8.300 nan 0.000 0.497 615 L N 0.059 121.221 121.223 -0.101 0.000 2.072 615 L HA -0.191 4.149 4.340 -0.001 0.000 0.205 615 L C 2.195 178.958 176.870 -0.178 0.000 1.079 615 L CA 1.333 56.078 54.840 -0.159 0.000 0.752 615 L CB -0.589 41.384 42.059 -0.144 0.000 0.906 615 L HN 0.011 nan 8.230 nan 0.000 0.436 616 K N -0.201 120.109 120.400 -0.149 0.000 2.442 616 K HA -0.118 4.202 4.320 -0.001 0.000 0.198 616 K C 1.950 178.475 176.600 -0.125 0.000 1.044 616 K CA 1.010 57.224 56.287 -0.121 0.000 0.948 616 K CB -0.057 32.381 32.500 -0.103 0.000 0.762 616 K HN 0.359 nan 8.250 nan 0.000 0.472 617 M N -1.124 118.358 119.600 -0.198 0.000 2.492 617 M HA -0.031 4.449 4.480 -0.001 0.000 0.262 617 M C 1.445 177.578 176.300 -0.279 0.000 1.090 617 M CA 1.110 56.277 55.300 -0.220 0.000 1.110 617 M CB 0.315 32.711 32.600 -0.340 0.000 1.407 617 M HN 0.461 nan 8.290 nan 0.000 0.470 618 G N 0.943 109.543 108.800 -0.334 0.000 3.597 618 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.202 618 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.202 618 G C 0.472 175.270 174.900 -0.171 0.000 1.702 618 G CA 0.076 45.071 45.100 -0.175 0.000 1.354 618 G HN 0.508 nan 8.290 nan 0.000 0.609 619 F N 2.252 122.266 119.950 0.106 0.000 2.717 619 F HA 0.530 5.057 4.527 -0.001 0.000 0.296 619 F C 0.438 176.367 175.800 0.214 0.000 1.268 619 F CA 0.129 58.242 58.000 0.189 0.000 1.466 619 F CB -0.540 38.672 39.000 0.353 0.000 1.120 619 F HN 0.196 nan 8.300 nan 0.000 0.596 620 V N 1.093 120.972 119.914 -0.059 0.000 2.448 620 V HA 0.117 4.237 4.120 -0.001 0.000 0.295 620 V C -0.228 175.840 176.094 -0.043 0.000 1.025 620 V CA -1.107 61.187 62.300 -0.011 0.000 0.859 620 V CB 1.575 33.334 31.823 -0.105 0.000 0.988 620 V HN 0.065 nan 8.190 nan 0.000 0.431 621 D N 3.441 123.818 120.400 -0.038 0.000 2.398 621 D HA -0.013 4.627 4.640 -0.001 0.000 0.250 621 D C 1.602 177.853 176.300 -0.082 0.000 1.287 621 D CA 0.657 54.611 54.000 -0.075 0.000 0.992 621 D CB 1.067 41.802 40.800 -0.109 0.000 1.071 621 D HN 0.728 nan 8.370 nan 0.000 0.514 622 S N 4.002 119.654 115.700 -0.080 0.000 2.428 622 S HA -0.211 4.258 4.470 -0.001 0.000 0.240 622 S C 1.349 175.908 174.600 -0.068 0.000 1.036 622 S CA 0.986 59.135 58.200 -0.086 0.000 1.009 622 S CB -0.014 63.136 63.200 -0.082 0.000 0.803 622 S HN 0.308 nan 8.310 nan 0.000 0.486 623 K N 0.637 121.006 120.400 -0.051 0.000 2.437 623 K HA 0.294 4.614 4.320 -0.001 0.000 0.198 623 K C 0.117 176.724 176.600 0.011 0.000 1.024 623 K CA 0.109 56.383 56.287 -0.021 0.000 1.148 623 K CB 0.063 32.551 32.500 -0.020 0.000 0.860 623 K HN 0.405 nan 8.250 nan 0.000 0.515 624 R N 0.162 120.656 120.500 -0.010 0.000 2.837 624 R HA 0.215 4.555 4.340 -0.001 0.000 0.245 624 R C -1.522 174.811 176.300 0.055 0.000 1.712 624 R CA -0.111 56.012 56.100 0.037 0.000 1.539 624 R CB 1.069 31.243 30.300 -0.209 0.000 1.490 624 R HN -0.217 nan 8.270 nan 0.000 0.667 625 V N 1.406 121.437 119.914 0.195 0.000 2.444 625 V HA 0.799 4.919 4.120 -0.001 0.000 0.294 625 V C -0.013 176.307 176.094 0.377 0.000 1.022 625 V CA -0.648 61.765 62.300 0.187 0.000 0.850 625 V CB 1.538 33.293 31.823 -0.114 0.000 0.992 625 V HN 0.598 nan 8.190 nan 0.000 0.426 626 A N 5.097 128.246 122.820 0.549 0.000 2.468 626 A HA 1.027 5.347 4.320 -0.001 0.000 0.277 626 A C -0.733 177.223 177.584 0.620 0.000 1.203 626 A CA -0.844 51.507 52.037 0.523 0.000 0.932 626 A CB 1.697 20.868 19.000 0.285 0.000 1.438 626 A HN 0.958 nan 8.150 nan 0.000 0.468 627 I N -0.722 120.126 120.570 0.463 0.000 2.739 627 I HA 0.496 4.665 4.170 -0.001 0.000 0.288 627 I C -2.268 174.104 176.117 0.425 0.000 1.582 627 I CA -0.558 60.973 61.300 0.386 0.000 1.035 627 I CB 1.452 39.459 38.000 0.012 0.000 1.432 627 I HN 1.002 nan 8.210 nan 0.000 0.444 628 W N 6.711 128.127 121.300 0.192 0.000 3.075 628 W HA 0.900 5.560 4.660 -0.001 0.000 0.334 628 W C -1.289 175.351 176.519 0.201 0.000 1.243 628 W CA -1.113 56.343 57.345 0.186 0.000 1.170 628 W CB 1.027 30.637 29.460 0.250 0.000 1.452 628 W HN 0.838 nan 8.180 nan 0.000 0.572 629 G N 0.235 108.982 108.800 -0.089 0.000 2.646 629 G HA2 0.494 4.453 3.960 -0.001 0.000 0.291 629 G HA3 0.494 4.453 3.960 -0.001 0.000 0.291 629 G C -2.653 172.149 174.900 -0.165 0.000 1.445 629 G CA -0.715 44.179 45.100 -0.343 0.000 0.814 629 G HN 0.622 nan 8.290 nan 0.000 0.495 630 W N 0.821 121.930 121.300 -0.318 0.000 2.719 630 W HA 0.572 5.232 4.660 -0.001 0.000 0.352 630 W C 0.977 177.428 176.519 -0.113 0.000 1.085 630 W CA 0.458 57.687 57.345 -0.193 0.000 1.187 630 W CB 1.760 31.086 29.460 -0.223 0.000 1.417 630 W HN 0.977 nan 8.180 nan 0.000 0.557 631 S N 1.350 117.255 115.700 0.341 0.000 4.108 631 S HA -0.438 4.032 4.470 -0.001 0.000 0.550 631 S C 0.963 175.662 174.600 0.166 0.000 1.916 631 S CA 1.901 60.272 58.200 0.286 0.000 4.207 631 S CB -1.678 61.715 63.200 0.322 0.000 0.522 631 S HN 0.759 nan 8.310 nan 0.000 0.534 632 Y N 2.842 123.188 120.300 0.077 0.000 2.207 632 Y HA -0.085 4.465 4.550 -0.001 0.000 0.287 632 Y C 2.456 178.514 175.900 0.264 0.000 1.156 632 Y CA 2.077 60.310 58.100 0.223 0.000 1.182 632 Y CB -0.952 37.722 38.460 0.358 0.000 0.979 632 Y HN 0.524 nan 8.280 nan 0.000 0.521 633 G N -0.872 108.147 108.800 0.365 0.000 2.422 633 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.218 633 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.218 633 G C 1.860 176.832 174.900 0.119 0.000 1.146 633 G CA 0.695 45.940 45.100 0.242 0.000 0.769 633 G HN 0.562 nan 8.290 nan 0.000 0.547 634 G N -0.353 108.498 108.800 0.084 0.000 2.448 634 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.219 634 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.219 634 G C 1.522 176.469 174.900 0.078 0.000 1.127 634 G CA 1.120 46.247 45.100 0.045 0.000 0.766 634 G HN 0.422 nan 8.290 nan 0.000 0.552 635 Y N 1.610 121.855 120.300 -0.091 0.000 2.084 635 Y HA -0.140 4.410 4.550 -0.001 0.000 0.279 635 Y C 2.809 178.650 175.900 -0.098 0.000 1.119 635 Y CA 1.583 59.580 58.100 -0.171 0.000 1.101 635 Y CB -0.747 37.492 38.460 -0.369 0.000 0.989 635 Y HN 0.017 nan 8.280 nan 0.000 0.484 636 V N 0.165 119.964 119.914 -0.192 0.000 2.278 636 V HA -0.424 3.696 4.120 -0.001 0.000 0.251 636 V C 2.336 178.312 176.094 -0.196 0.000 1.062 636 V CA 2.629 64.786 62.300 -0.238 0.000 1.038 636 V CB -1.644 30.201 31.823 0.038 0.000 0.646 636 V HN 0.547 nan 8.190 nan 0.000 0.447 637 T N 0.188 114.689 114.554 -0.088 0.000 2.624 637 T HA -0.259 4.090 4.350 -0.001 0.000 0.268 637 T C 2.118 176.729 174.700 -0.148 0.000 1.041 637 T CA 2.238 64.282 62.100 -0.094 0.000 1.159 637 T CB -0.409 68.479 68.868 0.033 0.000 0.863 637 T HN 0.580 nan 8.240 nan 0.000 0.434 638 S N 1.063 116.715 115.700 -0.080 0.000 2.356 638 S HA -0.026 4.443 4.470 -0.001 0.000 0.223 638 S C 2.153 176.673 174.600 -0.133 0.000 1.032 638 S CA 1.060 59.225 58.200 -0.057 0.000 1.005 638 S CB -0.351 62.889 63.200 0.066 0.000 0.867 638 S HN 0.347 nan 8.310 nan 0.000 0.449 639 M N 0.974 120.420 119.600 -0.257 0.000 2.202 639 M HA -0.066 4.414 4.480 -0.001 0.000 0.262 639 M C 2.109 178.260 176.300 -0.248 0.000 1.063 639 M CA 1.047 56.178 55.300 -0.283 0.000 1.097 639 M CB -1.102 31.196 32.600 -0.503 0.000 1.382 639 M HN 0.207 nan 8.290 nan 0.000 0.413 640 V N 0.405 120.143 119.914 -0.294 0.000 2.283 640 V HA -0.217 3.902 4.120 -0.001 0.000 0.243 640 V C 2.428 178.304 176.094 -0.364 0.000 1.039 640 V CA 1.240 63.346 62.300 -0.324 0.000 1.016 640 V CB -0.638 30.904 31.823 -0.469 0.000 0.650 640 V HN 0.394 nan 8.190 nan 0.000 0.449 641 L N 0.749 121.690 121.223 -0.471 0.000 2.127 641 L HA -0.120 4.219 4.340 -0.001 0.000 0.211 641 L C 2.277 178.669 176.870 -0.797 0.000 1.089 641 L CA 1.646 56.116 54.840 -0.617 0.000 0.757 641 L CB -0.808 40.752 42.059 -0.831 0.000 0.899 641 L HN 0.508 nan 8.230 nan 0.000 0.434 642 G N -1.370 107.033 108.800 -0.662 0.000 3.042 642 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.212 642 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.212 642 G C 1.527 176.349 174.900 -0.130 0.000 1.166 642 G CA 0.577 45.469 45.100 -0.347 0.000 0.767 642 G HN 0.461 nan 8.290 nan 0.000 0.546 643 S N -0.493 115.116 115.700 -0.150 0.000 2.489 643 S HA 0.280 4.749 4.470 -0.001 0.000 0.228 643 S C 1.901 176.471 174.600 -0.050 0.000 0.995 643 S CA 0.875 59.029 58.200 -0.078 0.000 0.934 643 S CB -0.166 62.989 63.200 -0.075 0.000 0.771 643 S HN 1.341 nan 8.310 nan 0.000 0.522 644 G N 1.617 110.377 108.800 -0.067 0.000 2.221 644 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.265 644 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.265 644 G C 0.778 175.671 174.900 -0.012 0.000 1.041 644 G CA 0.687 45.767 45.100 -0.034 0.000 0.807 644 G HN 1.200 nan 8.290 nan 0.000 0.502 645 S N -1.035 114.666 115.700 0.001 0.000 2.522 645 S HA 0.335 4.805 4.470 -0.001 0.000 0.227 645 S C 2.426 177.037 174.600 0.019 0.000 0.986 645 S CA 1.267 59.478 58.200 0.018 0.000 0.929 645 S CB -0.021 63.212 63.200 0.054 0.000 0.769 645 S HN 2.313 nan 8.310 nan 0.000 0.529 646 G N 0.599 109.414 108.800 0.026 0.000 2.186 646 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.266 646 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.266 646 G C 0.726 175.628 174.900 0.003 0.000 0.982 646 G CA 0.547 45.657 45.100 0.017 0.000 0.670 646 G HN 0.685 nan 8.290 nan 0.000 0.533 647 V N -1.029 118.890 119.914 0.009 0.000 2.788 647 V HA 0.293 4.412 4.120 -0.001 0.000 0.251 647 V C 1.148 177.061 176.094 -0.302 0.000 1.068 647 V CA 1.214 63.420 62.300 -0.158 0.000 1.090 647 V CB -0.339 31.337 31.823 -0.244 0.000 0.710 647 V HN 0.285 nan 8.190 nan 0.000 0.467 648 F N -0.101 119.848 119.950 -0.001 0.000 2.450 648 F HA 0.433 4.960 4.527 -0.001 0.000 0.332 648 F C 1.081 176.904 175.800 0.038 0.000 1.093 648 F CA -0.691 57.330 58.000 0.035 0.000 1.003 648 F CB 1.605 40.621 39.000 0.026 0.000 1.151 648 F HN -0.276 nan 8.300 nan 0.000 0.474 649 K N 1.179 121.722 120.400 0.240 0.000 2.242 649 K HA 0.197 4.517 4.320 -0.001 0.000 0.200 649 K C -0.327 176.378 176.600 0.175 0.000 1.050 649 K CA 0.702 57.093 56.287 0.172 0.000 0.981 649 K CB 0.339 32.940 32.500 0.168 0.000 0.795 649 K HN 0.789 nan 8.250 nan 0.000 0.477 650 c N -2.908 115.829 118.600 0.228 0.000 3.306 650 c HA 0.881 5.451 4.570 -0.001 0.000 0.335 650 c C -0.201 174.082 174.090 0.322 0.000 1.382 650 c CA -0.600 55.888 56.329 0.265 0.000 1.254 650 c CB 1.049 43.682 42.510 0.205 0.000 1.555 650 c HN 0.335 nan 8.230 nan 0.000 0.463 651 G N -0.268 108.779 108.800 0.412 0.000 2.608 651 G HA2 0.758 4.718 3.960 -0.001 0.000 0.291 651 G HA3 0.758 4.718 3.960 -0.001 0.000 0.291 651 G C -2.104 172.979 174.900 0.305 0.000 1.425 651 G CA -0.715 44.596 45.100 0.352 0.000 0.787 651 G HN 1.082 nan 8.290 nan 0.000 0.484 652 I N 0.317 121.057 120.570 0.284 0.000 2.534 652 I HA 0.605 4.775 4.170 -0.001 0.000 0.288 652 I C -0.085 176.162 176.117 0.216 0.000 1.077 652 I CA -0.988 60.388 61.300 0.127 0.000 1.051 652 I CB 2.315 40.366 38.000 0.084 0.000 1.234 652 I HN 0.698 nan 8.210 nan 0.000 0.425 653 A N 6.322 129.189 122.820 0.078 0.000 2.291 653 A HA 0.775 5.094 4.320 -0.001 0.000 0.311 653 A C -0.803 176.679 177.584 -0.171 0.000 1.224 653 A CA -0.519 51.541 52.037 0.038 0.000 0.821 653 A CB 1.180 20.276 19.000 0.161 0.000 1.172 653 A HN 0.430 nan 8.150 nan 0.000 0.494 654 V N 2.306 122.030 119.914 -0.316 0.000 2.347 654 V HA 0.551 4.671 4.120 -0.001 0.000 0.280 654 V C 0.920 176.573 176.094 -0.735 0.000 1.021 654 V CA 0.372 62.255 62.300 -0.695 0.000 0.847 654 V CB 0.646 31.683 31.823 -1.310 0.000 0.990 654 V HN 2.080 nan 8.190 nan 0.000 0.444 655 A N 6.016 128.448 122.820 -0.647 0.000 2.312 655 A HA -0.101 4.218 4.320 -0.001 0.000 0.286 655 A C -1.857 175.635 177.584 -0.152 0.000 1.425 655 A CA 0.369 52.016 52.037 -0.651 0.000 0.748 655 A CB -1.443 17.184 19.000 -0.621 0.000 1.126 655 A HN 0.608 nan 8.150 nan 0.000 0.368 656 P HA 0.482 nan 4.420 nan 0.000 0.282 656 P C -0.056 177.211 177.300 -0.055 0.000 1.259 656 P CA -0.377 62.709 63.100 -0.024 0.000 0.826 656 P CB 1.498 33.204 31.700 0.010 0.000 1.064 657 V N 2.036 121.818 119.914 -0.221 0.000 2.498 657 V HA 0.088 4.208 4.120 -0.001 0.000 0.279 657 V C 1.691 177.542 176.094 -0.405 0.000 1.048 657 V CA 0.582 62.608 62.300 -0.456 0.000 0.967 657 V CB 0.885 32.087 31.823 -1.035 0.000 0.988 657 V HN 0.779 nan 8.190 nan 0.000 0.473 658 S N 4.380 119.918 115.700 -0.269 0.000 2.505 658 S HA 0.227 4.697 4.470 -0.001 0.000 0.216 658 S C 0.482 174.890 174.600 -0.320 0.000 1.018 658 S CA -0.368 57.734 58.200 -0.164 0.000 0.911 658 S CB 0.185 63.374 63.200 -0.017 0.000 0.818 658 S HN 0.860 nan 8.310 nan 0.000 0.497 659 R N -1.339 118.804 120.500 -0.594 0.000 2.633 659 R HA 0.275 4.614 4.340 -0.001 0.000 0.256 659 R C -1.063 174.828 176.300 -0.680 0.000 1.131 659 R CA -0.891 54.815 56.100 -0.657 0.000 0.994 659 R CB -0.440 29.515 30.300 -0.575 0.000 1.261 659 R HN 0.140 nan 8.270 nan 0.000 0.446 660 W N 1.701 122.894 121.300 -0.179 0.000 2.389 660 W HA -0.122 4.538 4.660 -0.001 0.000 0.267 660 W C 1.258 177.905 176.519 0.213 0.000 1.219 660 W CA 1.105 58.441 57.345 -0.014 0.000 1.189 660 W CB 0.037 29.384 29.460 -0.188 0.000 1.129 660 W HN 0.745 nan 8.180 nan 0.000 0.581 661 E N -1.046 119.307 120.200 0.254 0.000 2.150 661 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 661 E C 1.583 178.361 176.600 0.296 0.000 0.985 661 E CA 1.163 57.705 56.400 0.236 0.000 0.814 661 E CB -0.504 29.241 29.700 0.075 0.000 0.752 661 E HN 0.333 nan 8.360 nan 0.000 0.466 662 Y N -1.224 119.170 120.300 0.155 0.000 2.571 662 Y HA -0.002 4.548 4.550 -0.001 0.000 0.294 662 Y C 0.667 176.689 175.900 0.203 0.000 1.141 662 Y CA -0.165 58.005 58.100 0.117 0.000 1.308 662 Y CB -0.755 37.722 38.460 0.028 0.000 1.002 662 Y HN 0.031 nan 8.280 nan 0.000 0.551 663 Y N 1.917 122.387 120.300 0.283 0.000 2.374 663 Y HA 0.278 4.828 4.550 -0.001 0.000 0.322 663 Y C 0.368 176.531 175.900 0.438 0.000 1.275 663 Y CA -2.363 55.932 58.100 0.324 0.000 1.307 663 Y CB 0.371 39.071 38.460 0.401 0.000 1.282 663 Y HN 0.187 nan 8.280 nan 0.000 0.509 664 D N -0.177 119.991 120.400 -0.386 0.000 2.419 664 D HA 0.026 4.665 4.640 -0.001 0.000 0.236 664 D C 0.916 177.227 176.300 0.019 0.000 1.165 664 D CA 0.557 54.454 54.000 -0.170 0.000 0.882 664 D CB 0.792 41.288 40.800 -0.506 0.000 1.201 664 D HN 0.490 nan 8.370 nan 0.000 0.443 665 S N 1.393 117.126 115.700 0.054 0.000 2.343 665 S HA -0.222 4.248 4.470 -0.001 0.000 0.219 665 S C 2.047 176.679 174.600 0.054 0.000 1.033 665 S CA 1.164 59.425 58.200 0.101 0.000 1.014 665 S CB -1.121 62.147 63.200 0.114 0.000 0.915 665 S HN 0.446 nan 8.310 nan 0.000 0.435 666 V N 1.148 121.048 119.914 -0.023 0.000 2.250 666 V HA -0.255 3.865 4.120 -0.001 0.000 0.253 666 V C 2.308 178.308 176.094 -0.157 0.000 1.065 666 V CA 2.528 64.714 62.300 -0.189 0.000 1.039 666 V CB -1.165 30.430 31.823 -0.379 0.000 0.647 666 V HN 0.575 nan 8.190 nan 0.000 0.446 667 Y N 1.313 121.534 120.300 -0.131 0.000 2.092 667 Y HA -0.225 4.324 4.550 -0.001 0.000 0.282 667 Y C 2.783 178.658 175.900 -0.042 0.000 1.126 667 Y CA 2.268 60.358 58.100 -0.017 0.000 1.111 667 Y CB -0.940 37.687 38.460 0.279 0.000 0.987 667 Y HN 0.249 nan 8.280 nan 0.000 0.489 668 T N 0.676 115.352 114.554 0.204 0.000 2.570 668 T HA -0.288 4.061 4.350 -0.001 0.000 0.266 668 T C 1.597 176.205 174.700 -0.154 0.000 1.071 668 T CA 2.220 64.361 62.100 0.069 0.000 1.172 668 T CB -0.553 68.550 68.868 0.391 0.000 0.864 668 T HN 0.478 nan 8.240 nan 0.000 0.421 669 E N 0.593 120.765 120.200 -0.047 0.000 2.209 669 E HA -0.169 4.180 4.350 -0.001 0.000 0.196 669 E C 2.316 178.746 176.600 -0.283 0.000 0.993 669 E CA 0.744 57.108 56.400 -0.060 0.000 0.819 669 E CB -0.228 29.491 29.700 0.032 0.000 0.745 669 E HN 0.405 nan 8.360 nan 0.000 0.477 670 R N 0.252 120.417 120.500 -0.558 0.000 2.139 670 R HA -0.203 4.136 4.340 -0.001 0.000 0.243 670 R C 1.155 176.750 176.300 -1.175 0.000 1.145 670 R CA 1.638 57.189 56.100 -0.915 0.000 0.976 670 R CB -0.012 29.490 30.300 -1.329 0.000 0.866 670 R HN 0.306 nan 8.270 nan 0.000 0.449 671 Y N -2.650 117.250 120.300 -0.668 0.000 2.581 671 Y HA 0.216 4.765 4.550 -0.001 0.000 0.271 671 Y C 1.886 177.536 175.900 -0.416 0.000 1.100 671 Y CA -0.440 57.245 58.100 -0.692 0.000 1.281 671 Y CB 0.286 38.225 38.460 -0.869 0.000 1.237 671 Y HN -0.069 nan 8.280 nan 0.000 0.514 672 M N 0.128 119.562 119.600 -0.276 0.000 2.510 672 M HA 0.318 4.798 4.480 -0.001 0.000 0.256 672 M C 1.158 177.488 176.300 0.049 0.000 1.132 672 M CA 1.010 56.175 55.300 -0.226 0.000 1.105 672 M CB -0.834 31.415 32.600 -0.585 0.000 1.375 672 M HN 0.408 nan 8.290 nan 0.000 0.477 673 G N 1.299 110.131 108.800 0.055 0.000 2.632 673 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.224 673 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.224 673 G C -0.606 174.423 174.900 0.214 0.000 1.341 673 G CA -0.777 44.394 45.100 0.117 0.000 0.880 673 G HN 0.340 nan 8.290 nan 0.000 0.566 674 L N 1.903 123.201 121.223 0.126 0.000 2.307 674 L HA 0.429 4.769 4.340 -0.001 0.000 0.282 674 L C -1.408 175.384 176.870 -0.129 0.000 1.051 674 L CA -1.820 53.034 54.840 0.022 0.000 0.804 674 L CB 1.925 43.982 42.059 -0.004 0.000 1.197 674 L HN 0.447 nan 8.230 nan 0.000 0.431 675 P HA 0.032 nan 4.420 nan 0.000 0.238 675 P C -0.482 176.633 177.300 -0.307 0.000 1.714 675 P CA -0.022 62.581 63.100 -0.828 0.000 0.908 675 P CB -0.590 30.383 31.700 -1.211 0.000 1.893 676 T N -3.150 111.314 114.554 -0.149 0.000 2.876 676 T HA 0.407 4.757 4.350 -0.001 0.000 0.289 676 T C -1.926 172.751 174.700 -0.039 0.000 1.014 676 T CA -2.475 59.579 62.100 -0.078 0.000 0.986 676 T CB 2.169 71.005 68.868 -0.054 0.000 1.021 676 T HN -0.205 nan 8.240 nan 0.000 0.458 677 P HA -0.171 nan 4.420 nan 0.000 0.219 677 P C 0.906 178.197 177.300 -0.015 0.000 1.144 677 P CA 1.217 64.306 63.100 -0.018 0.000 0.806 677 P CB 0.264 31.955 31.700 -0.014 0.000 0.771 678 E N -0.858 119.333 120.200 -0.015 0.000 2.285 678 E HA -0.084 4.266 4.350 -0.001 0.000 0.194 678 E C 1.286 177.884 176.600 -0.005 0.000 0.997 678 E CA 0.610 57.004 56.400 -0.010 0.000 0.845 678 E CB 0.021 29.715 29.700 -0.010 0.000 0.782 678 E HN 0.351 nan 8.360 nan 0.000 0.491 679 D N 0.433 120.832 120.400 -0.002 0.000 3.305 679 D HA 0.012 4.652 4.640 -0.001 0.000 0.221 679 D C 0.295 176.608 176.300 0.022 0.000 1.187 679 D CA -0.172 53.837 54.000 0.015 0.000 1.276 679 D CB -0.091 40.726 40.800 0.027 0.000 0.924 679 D HN -0.120 nan 8.370 nan 0.000 0.189 680 N N 0.264 119.005 118.700 0.069 0.000 2.389 680 N HA 0.054 4.794 4.740 -0.001 0.000 0.260 680 N C 1.360 176.988 175.510 0.196 0.000 1.191 680 N CA -0.177 52.941 53.050 0.113 0.000 0.885 680 N CB 0.416 39.026 38.487 0.203 0.000 1.162 680 N HN 0.060 nan 8.380 nan 0.000 0.512 681 L N 0.943 122.215 121.223 0.081 0.000 2.013 681 L HA -0.211 4.129 4.340 -0.001 0.000 0.212 681 L C 1.491 178.449 176.870 0.147 0.000 1.073 681 L CA 2.006 56.889 54.840 0.072 0.000 0.753 681 L CB -0.523 41.531 42.059 -0.009 0.000 0.890 681 L HN 0.205 nan 8.230 nan 0.000 0.432 682 D N -1.058 119.377 120.400 0.057 0.000 2.133 682 D HA -0.235 4.405 4.640 -0.001 0.000 0.192 682 D C 2.083 178.475 176.300 0.154 0.000 1.001 682 D CA 1.735 55.762 54.000 0.044 0.000 0.844 682 D CB -0.328 40.429 40.800 -0.071 0.000 0.944 682 D HN 0.502 nan 8.370 nan 0.000 0.447 683 H N -1.052 118.106 119.070 0.146 0.000 2.491 683 H HA -0.053 4.502 4.556 -0.001 0.000 0.290 683 H C 1.847 177.258 175.328 0.138 0.000 1.050 683 H CA 0.509 56.626 56.048 0.114 0.000 1.309 683 H CB -0.421 29.378 29.762 0.061 0.000 1.392 683 H HN 0.331 nan 8.280 nan 0.000 0.554 684 Y N 0.891 121.312 120.300 0.200 0.000 2.200 684 Y HA -0.108 4.441 4.550 -0.001 0.000 0.290 684 Y C 2.594 178.580 175.900 0.144 0.000 1.137 684 Y CA 1.166 59.377 58.100 0.185 0.000 1.163 684 Y CB 0.114 38.653 38.460 0.131 0.000 0.988 684 Y HN 0.044 nan 8.280 nan 0.000 0.518 685 R N -0.483 120.179 120.500 0.271 0.000 2.115 685 R HA -0.090 4.250 4.340 -0.001 0.000 0.226 685 R C 1.301 177.682 176.300 0.135 0.000 1.100 685 R CA 0.919 57.116 56.100 0.161 0.000 0.980 685 R CB -0.323 30.048 30.300 0.118 0.000 0.875 685 R HN 0.270 nan 8.270 nan 0.000 0.445 686 N N 1.108 119.907 118.700 0.164 0.000 2.434 686 N HA -0.033 4.706 4.740 -0.001 0.000 0.196 686 N C -0.058 175.526 175.510 0.124 0.000 1.183 686 N CA 0.449 53.581 53.050 0.136 0.000 0.849 686 N CB 0.448 39.034 38.487 0.164 0.000 0.992 686 N HN 0.145 nan 8.380 nan 0.000 0.460 687 S N -1.781 114.007 115.700 0.147 0.000 2.902 687 S HA 0.192 4.661 4.470 -0.001 0.000 0.250 687 S C 0.070 174.770 174.600 0.166 0.000 1.046 687 S CA -0.680 57.624 58.200 0.174 0.000 1.069 687 S CB 0.130 63.489 63.200 0.265 0.000 0.967 687 S HN -0.160 nan 8.310 nan 0.000 0.530 688 T N 1.691 116.295 114.554 0.084 0.000 2.869 688 T HA 0.301 4.650 4.350 -0.001 0.000 0.295 688 T C 1.456 176.173 174.700 0.028 0.000 0.987 688 T CA -0.292 61.821 62.100 0.021 0.000 1.109 688 T CB 1.575 70.440 68.868 -0.006 0.000 0.932 688 T HN 0.113 nan 8.240 nan 0.000 0.518 689 V N 4.180 124.106 119.914 0.019 0.000 2.358 689 V HA -0.158 3.961 4.120 -0.001 0.000 0.246 689 V C 2.577 178.632 176.094 -0.065 0.000 1.047 689 V CA 1.418 63.715 62.300 -0.005 0.000 1.035 689 V CB -0.481 31.339 31.823 -0.006 0.000 0.658 689 V HN 0.850 nan 8.190 nan 0.000 0.452 690 M N 0.812 120.365 119.600 -0.079 0.000 2.446 690 M HA -0.064 4.416 4.480 -0.001 0.000 0.263 690 M C 2.214 178.477 176.300 -0.061 0.000 1.066 690 M CA 2.063 57.300 55.300 -0.106 0.000 1.087 690 M CB -2.075 30.482 32.600 -0.072 0.000 1.406 690 M HN 0.531 nan 8.290 nan 0.000 0.459 691 S N 0.909 116.596 115.700 -0.021 0.000 2.481 691 S HA -0.010 4.459 4.470 -0.001 0.000 0.231 691 S C 1.705 176.316 174.600 0.018 0.000 0.996 691 S CA 0.218 58.421 58.200 0.004 0.000 0.942 691 S CB -0.389 62.824 63.200 0.021 0.000 0.768 691 S HN 0.661 nan 8.310 nan 0.000 0.520 692 R N 0.557 121.072 120.500 0.025 0.000 2.515 692 R HA 0.462 4.801 4.340 -0.001 0.000 0.294 692 R C 1.933 178.318 176.300 0.141 0.000 1.021 692 R CA 0.378 56.531 56.100 0.087 0.000 1.081 692 R CB -0.141 30.232 30.300 0.121 0.000 1.263 692 R HN 0.481 nan 8.270 nan 0.000 0.557 693 A N 1.809 124.628 122.820 -0.001 0.000 1.859 693 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 693 A C 1.903 179.550 177.584 0.106 0.000 1.198 693 A CA 1.301 53.288 52.037 -0.082 0.000 0.629 693 A CB -0.214 18.720 19.000 -0.110 0.000 0.830 693 A HN 0.218 nan 8.150 nan 0.000 0.446 694 E N 0.346 120.600 120.200 0.090 0.000 2.095 694 E HA -0.245 4.105 4.350 -0.001 0.000 0.212 694 E C 1.538 178.227 176.600 0.149 0.000 1.044 694 E CA 1.625 58.087 56.400 0.103 0.000 0.857 694 E CB -0.604 29.138 29.700 0.070 0.000 0.764 694 E HN 0.616 nan 8.360 nan 0.000 0.462 695 N N 0.015 118.807 118.700 0.154 0.000 2.651 695 N HA -0.149 4.590 4.740 -0.001 0.000 0.193 695 N C 1.128 176.699 175.510 0.101 0.000 1.149 695 N CA 0.451 53.566 53.050 0.107 0.000 0.933 695 N CB -0.280 38.239 38.487 0.052 0.000 0.974 695 N HN 0.114 nan 8.380 nan 0.000 0.448 696 F N 1.205 121.145 119.950 -0.018 0.000 2.797 696 F HA 0.127 4.654 4.527 -0.001 0.000 0.302 696 F C 1.855 177.683 175.800 0.046 0.000 1.130 696 F CA 0.208 58.198 58.000 -0.017 0.000 1.387 696 F CB 0.247 39.224 39.000 -0.039 0.000 1.107 696 F HN -0.066 nan 8.300 nan 0.000 0.577 697 K N -0.046 120.465 120.400 0.184 0.000 2.217 697 K HA -0.125 4.195 4.320 -0.001 0.000 0.202 697 K C 1.107 177.766 176.600 0.100 0.000 1.051 697 K CA 0.938 57.310 56.287 0.142 0.000 0.952 697 K CB -0.277 32.287 32.500 0.107 0.000 0.736 697 K HN 0.405 nan 8.250 nan 0.000 0.453 698 Q N 0.995 120.831 119.800 0.060 0.000 2.329 698 Q HA 0.111 4.450 4.340 -0.001 0.000 0.208 698 Q C -0.393 175.628 176.000 0.035 0.000 0.934 698 Q CA 0.017 55.843 55.803 0.038 0.000 0.951 698 Q CB 0.378 29.125 28.738 0.015 0.000 1.017 698 Q HN -0.045 nan 8.270 nan 0.000 0.490 699 V N 0.303 120.251 119.914 0.057 0.000 3.087 699 V HA 0.193 4.313 4.120 -0.001 0.000 0.306 699 V C -0.866 175.340 176.094 0.186 0.000 1.187 699 V CA -1.003 61.342 62.300 0.075 0.000 0.999 699 V CB 2.697 34.486 31.823 -0.057 0.000 1.049 699 V HN 0.114 nan 8.190 nan 0.000 0.431 700 E N 2.335 122.675 120.200 0.233 0.000 2.115 700 E HA 0.403 4.753 4.350 -0.001 0.000 0.282 700 E C -1.746 175.183 176.600 0.548 0.000 0.987 700 E CA -0.385 56.225 56.400 0.349 0.000 0.797 700 E CB 1.546 31.394 29.700 0.247 0.000 1.086 700 E HN 0.522 nan 8.360 nan 0.000 0.397 701 Y N 3.520 124.043 120.300 0.372 0.000 2.429 701 Y HA 0.475 5.024 4.550 -0.001 0.000 0.342 701 Y C -1.603 174.347 175.900 0.084 0.000 1.004 701 Y CA -1.638 56.617 58.100 0.259 0.000 1.075 701 Y CB 1.090 39.753 38.460 0.337 0.000 1.214 701 Y HN 0.401 nan 8.280 nan 0.000 0.455 702 L N 7.657 128.607 121.223 -0.454 0.000 2.343 702 L HA 0.567 4.907 4.340 -0.001 0.000 0.278 702 L C -2.189 174.232 176.870 -0.748 0.000 0.996 702 L CA -0.750 53.661 54.840 -0.716 0.000 0.831 702 L CB 1.219 42.573 42.059 -1.176 0.000 1.232 702 L HN 0.644 nan 8.230 nan 0.000 0.413 703 L N 6.502 127.316 121.223 -0.682 0.000 2.296 703 L HA 0.703 5.042 4.340 -0.001 0.000 0.286 703 L C -0.994 175.695 176.870 -0.301 0.000 1.023 703 L CA -0.014 54.492 54.840 -0.557 0.000 0.812 703 L CB 1.181 42.870 42.059 -0.616 0.000 1.223 703 L HN 0.585 nan 8.230 nan 0.000 0.421 704 I N 4.149 124.563 120.570 -0.261 0.000 2.689 704 I HA 0.482 4.652 4.170 -0.001 0.000 0.299 704 I C -1.201 174.834 176.117 -0.136 0.000 1.059 704 I CA -0.806 60.385 61.300 -0.181 0.000 1.055 704 I CB 2.161 40.028 38.000 -0.222 0.000 1.243 704 I HN 0.670 nan 8.210 nan 0.000 0.425 705 H N 1.593 120.644 119.070 -0.032 0.000 3.112 705 H HA 0.451 5.006 4.556 -0.001 0.000 0.347 705 H C -0.352 175.149 175.328 0.288 0.000 1.188 705 H CA -0.505 55.566 56.048 0.039 0.000 1.240 705 H CB 1.954 31.625 29.762 -0.152 0.000 1.920 705 H HN 0.763 nan 8.280 nan 0.000 0.535 706 G N 1.571 110.633 108.800 0.437 0.000 2.406 706 G HA2 0.117 4.076 3.960 -0.001 0.000 0.251 706 G HA3 0.117 4.076 3.960 -0.001 0.000 0.251 706 G C 0.808 176.039 174.900 0.552 0.000 1.271 706 G CA 0.056 45.436 45.100 0.467 0.000 0.859 706 G HN 0.695 nan 8.290 nan 0.000 0.540 707 T N 1.446 116.218 114.554 0.363 0.000 3.035 707 T HA 0.095 4.444 4.350 -0.001 0.000 0.268 707 T C 1.911 176.624 174.700 0.022 0.000 1.109 707 T CA 1.577 63.754 62.100 0.127 0.000 1.119 707 T CB -0.061 68.886 68.868 0.132 0.000 0.900 707 T HN 0.652 nan 8.240 nan 0.000 0.503 708 A N 0.693 123.548 122.820 0.058 0.000 2.701 708 A HA 0.279 4.599 4.320 -0.001 0.000 0.297 708 A C 0.122 177.534 177.584 -0.287 0.000 1.197 708 A CA -0.448 51.466 52.037 -0.204 0.000 0.963 708 A CB 0.102 19.236 19.000 0.224 0.000 1.175 708 A HN 0.245 nan 8.150 nan 0.000 0.531 709 D N 1.669 122.042 120.400 -0.046 0.000 2.342 709 D HA -0.025 4.614 4.640 -0.001 0.000 0.260 709 D C 0.220 176.524 176.300 0.007 0.000 1.278 709 D CA 0.355 54.441 54.000 0.142 0.000 0.910 709 D CB 0.699 41.762 40.800 0.439 0.000 1.079 709 D HN 0.604 nan 8.370 nan 0.000 0.496 710 D N 2.457 122.888 120.400 0.052 0.000 2.348 710 D HA -0.130 4.510 4.640 -0.001 0.000 0.211 710 D C 0.986 177.323 176.300 0.061 0.000 0.998 710 D CA -0.158 53.888 54.000 0.076 0.000 0.873 710 D CB 0.367 41.189 40.800 0.037 0.000 0.925 710 D HN 0.231 nan 8.370 nan 0.000 0.524 711 N N 0.850 119.632 118.700 0.137 0.000 2.245 711 N HA -0.051 4.689 4.740 -0.001 0.000 0.185 711 N C 0.081 175.552 175.510 -0.064 0.000 1.036 711 N CA 0.635 53.785 53.050 0.166 0.000 0.857 711 N CB 0.670 39.189 38.487 0.052 0.000 1.015 711 N HN -0.062 nan 8.380 nan 0.000 0.436 712 V N 3.337 123.191 119.914 -0.100 0.000 2.250 712 V HA 0.191 4.311 4.120 -0.001 0.000 0.268 712 V C 0.460 176.643 176.094 0.147 0.000 1.043 712 V CA -0.617 61.684 62.300 0.003 0.000 0.814 712 V CB 0.509 32.367 31.823 0.058 0.000 1.072 712 V HN 0.316 nan 8.190 nan 0.000 0.451 713 H N 2.809 121.911 119.070 0.052 0.000 2.526 713 H HA -0.281 4.275 4.556 -0.001 0.000 0.294 713 H C 1.563 176.888 175.328 -0.004 0.000 1.118 713 H CA 2.242 58.266 56.048 -0.040 0.000 1.178 713 H CB -0.133 29.511 29.762 -0.197 0.000 1.344 713 H HN 0.785 nan 8.280 nan 0.000 0.542 714 F N -0.993 118.768 119.950 -0.315 0.000 2.424 714 F HA -0.412 4.115 4.527 -0.001 0.000 0.678 714 F C 2.096 177.636 175.800 -0.434 0.000 0.491 714 F CA 1.653 59.175 58.000 -0.798 0.000 1.153 714 F CB -1.257 37.480 39.000 -0.438 0.000 1.945 714 F HN 0.264 nan 8.300 nan 0.000 0.265 715 Q N 1.124 120.890 119.800 -0.056 0.000 2.133 715 Q HA -0.307 4.032 4.340 -0.001 0.000 0.208 715 Q C 1.706 177.521 176.000 -0.309 0.000 0.991 715 Q CA 2.384 58.074 55.803 -0.188 0.000 0.867 715 Q CB -0.326 28.217 28.738 -0.324 0.000 0.911 715 Q HN 0.795 nan 8.270 nan 0.000 0.417 716 Q N -0.126 119.526 119.800 -0.247 0.000 2.077 716 Q HA -0.152 4.188 4.340 -0.001 0.000 0.206 716 Q C 2.270 178.191 176.000 -0.132 0.000 0.989 716 Q CA 1.957 57.722 55.803 -0.063 0.000 0.853 716 Q CB -0.183 28.579 28.738 0.039 0.000 0.907 716 Q HN 0.378 nan 8.270 nan 0.000 0.418 717 S N 0.809 116.309 115.700 -0.334 0.000 2.377 717 S HA 0.005 4.475 4.470 -0.001 0.000 0.223 717 S C 2.125 176.504 174.600 -0.368 0.000 1.030 717 S CA 0.719 58.708 58.200 -0.352 0.000 0.970 717 S CB -0.204 62.719 63.200 -0.462 0.000 0.830 717 S HN 0.487 nan 8.310 nan 0.000 0.473 718 A N 1.319 123.868 122.820 -0.453 0.000 1.948 718 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 718 A C 2.106 179.618 177.584 -0.121 0.000 1.177 718 A CA 1.881 53.791 52.037 -0.213 0.000 0.636 718 A CB -0.680 18.299 19.000 -0.034 0.000 0.815 718 A HN 0.395 nan 8.150 nan 0.000 0.449 719 Q N -0.247 119.483 119.800 -0.117 0.000 2.167 719 Q HA 0.010 4.349 4.340 -0.001 0.000 0.202 719 Q C 1.783 177.749 176.000 -0.056 0.000 0.970 719 Q CA 1.357 57.138 55.803 -0.037 0.000 0.855 719 Q CB -0.348 28.433 28.738 0.072 0.000 0.911 719 Q HN 0.739 nan 8.270 nan 0.000 0.438 720 I N -0.310 120.193 120.570 -0.111 0.000 2.133 720 I HA -0.289 3.880 4.170 -0.001 0.000 0.238 720 I C 2.260 178.232 176.117 -0.242 0.000 1.074 720 I CA 1.224 62.416 61.300 -0.179 0.000 1.342 720 I CB -0.612 37.272 38.000 -0.194 0.000 1.053 720 I HN 0.274 nan 8.210 nan 0.000 0.404 721 S N 1.422 116.964 115.700 -0.264 0.000 2.377 721 S HA -0.373 4.097 4.470 -0.001 0.000 0.224 721 S C 2.027 176.608 174.600 -0.032 0.000 1.042 721 S CA 1.959 60.021 58.200 -0.229 0.000 1.086 721 S CB -0.827 62.359 63.200 -0.022 0.000 0.995 721 S HN 0.381 nan 8.310 nan 0.000 0.428 722 K N 2.034 122.427 120.400 -0.012 0.000 2.071 722 K HA -0.266 4.054 4.320 -0.001 0.000 0.217 722 K C 2.338 178.942 176.600 0.006 0.000 1.054 722 K CA 1.832 58.129 56.287 0.017 0.000 0.937 722 K CB -0.945 31.555 32.500 0.001 0.000 0.719 722 K HN 0.481 nan 8.250 nan 0.000 0.454 723 A N 1.162 123.958 122.820 -0.041 0.000 1.892 723 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 723 A C 2.237 179.791 177.584 -0.051 0.000 1.188 723 A CA 1.885 53.889 52.037 -0.055 0.000 0.631 723 A CB -0.746 18.193 19.000 -0.102 0.000 0.822 723 A HN 0.400 nan 8.150 nan 0.000 0.447 724 L N -0.637 120.534 121.223 -0.085 0.000 2.083 724 L HA -0.164 4.176 4.340 -0.001 0.000 0.209 724 L C 2.528 179.479 176.870 0.134 0.000 1.083 724 L CA 1.046 55.880 54.840 -0.010 0.000 0.752 724 L CB -0.537 41.496 42.059 -0.043 0.000 0.899 724 L HN 0.263 nan 8.230 nan 0.000 0.433 725 V N -0.314 119.702 119.914 0.170 0.000 2.343 725 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 725 V C 1.944 178.086 176.094 0.080 0.000 1.051 725 V CA 1.860 64.248 62.300 0.146 0.000 1.036 725 V CB -0.510 31.393 31.823 0.133 0.000 0.654 725 V HN 0.434 nan 8.190 nan 0.000 0.451 726 D N 0.376 120.809 120.400 0.055 0.000 2.264 726 D HA -0.038 4.601 4.640 -0.001 0.000 0.208 726 D C 1.985 178.308 176.300 0.038 0.000 0.966 726 D CA 1.344 55.367 54.000 0.038 0.000 0.864 726 D CB -0.095 40.720 40.800 0.025 0.000 0.933 726 D HN 0.481 nan 8.370 nan 0.000 0.499 727 A N -0.299 122.548 122.820 0.044 0.000 2.178 727 A HA 0.401 4.721 4.320 -0.001 0.000 0.211 727 A C 1.836 179.458 177.584 0.063 0.000 1.157 727 A CA 1.037 53.103 52.037 0.047 0.000 0.780 727 A CB -0.081 18.944 19.000 0.042 0.000 0.828 727 A HN 0.223 nan 8.150 nan 0.000 0.476 728 G N -1.384 107.459 108.800 0.071 0.000 2.143 728 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.249 728 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.249 728 G C 0.128 175.083 174.900 0.092 0.000 0.981 728 G CA 0.180 45.322 45.100 0.069 0.000 0.665 728 G HN 0.765 nan 8.290 nan 0.000 0.528 729 V N 0.831 120.824 119.914 0.133 0.000 2.498 729 V HA 0.489 4.608 4.120 -0.001 0.000 0.279 729 V C 0.466 176.698 176.094 0.229 0.000 1.048 729 V CA -0.125 62.288 62.300 0.188 0.000 0.967 729 V CB 1.671 33.635 31.823 0.235 0.000 0.988 729 V HN 0.409 nan 8.190 nan 0.000 0.473 730 D N 3.538 124.045 120.400 0.178 0.000 2.225 730 D HA 0.651 5.290 4.640 -0.001 0.000 0.249 730 D C -0.567 175.866 176.300 0.222 0.000 1.052 730 D CA -0.079 53.969 54.000 0.080 0.000 0.909 730 D CB 1.021 41.834 40.800 0.021 0.000 1.186 730 D HN 0.344 nan 8.370 nan 0.000 0.431 731 F N -0.754 119.277 119.950 0.135 0.000 2.789 731 F HA 0.497 5.024 4.527 -0.001 0.000 0.319 731 F C -1.478 174.371 175.800 0.082 0.000 1.168 731 F CA -1.070 57.027 58.000 0.162 0.000 0.934 731 F CB 0.932 40.058 39.000 0.211 0.000 1.375 731 F HN 0.185 nan 8.300 nan 0.000 0.480 732 Q N 1.155 121.142 119.800 0.312 0.000 2.333 732 Q HA 0.794 5.133 4.340 -0.001 0.000 0.267 732 Q C -1.059 175.044 176.000 0.173 0.000 1.012 732 Q CA -1.165 54.725 55.803 0.147 0.000 0.824 732 Q CB 2.347 31.179 28.738 0.157 0.000 1.290 732 Q HN 0.963 nan 8.270 nan 0.000 0.449 733 A N 2.402 125.291 122.820 0.115 0.000 2.435 733 A HA 0.927 5.247 4.320 -0.001 0.000 0.296 733 A C -1.246 176.288 177.584 -0.084 0.000 1.147 733 A CA -0.602 51.477 52.037 0.069 0.000 0.775 733 A CB 1.851 20.996 19.000 0.241 0.000 1.340 733 A HN 0.650 nan 8.150 nan 0.000 0.427 734 M N 0.805 120.315 119.600 -0.151 0.000 2.307 734 M HA 0.531 5.011 4.480 -0.001 0.000 0.279 734 M C -2.248 173.893 176.300 -0.265 0.000 1.080 734 M CA -0.528 54.534 55.300 -0.397 0.000 0.964 734 M CB 1.114 33.371 32.600 -0.573 0.000 1.825 734 M HN 0.973 nan 8.290 nan 0.000 0.489 735 W N 4.418 125.540 121.300 -0.297 0.000 2.627 735 W HA 0.795 5.454 4.660 -0.001 0.000 0.339 735 W C -2.143 174.138 176.519 -0.396 0.000 1.058 735 W CA -1.039 56.231 57.345 -0.126 0.000 1.223 735 W CB 0.483 29.981 29.460 0.064 0.000 1.389 735 W HN 0.630 nan 8.180 nan 0.000 0.541 736 Y N 2.567 123.035 120.300 0.280 0.000 2.388 736 Y HA 0.305 4.854 4.550 -0.001 0.000 0.328 736 Y C 0.621 176.671 175.900 0.250 0.000 0.963 736 Y CA -0.943 57.233 58.100 0.127 0.000 1.240 736 Y CB 1.516 39.994 38.460 0.030 0.000 1.118 736 Y HN 0.421 nan 8.280 nan 0.000 0.484 737 T N 4.549 119.312 114.554 0.348 0.000 2.822 737 T HA -0.052 4.297 4.350 -0.001 0.000 0.288 737 T C 0.126 174.924 174.700 0.162 0.000 0.991 737 T CA 0.692 62.929 62.100 0.229 0.000 1.176 737 T CB -0.218 68.713 68.868 0.105 0.000 0.951 737 T HN 0.701 nan 8.240 nan 0.000 0.526 738 D N 1.196 121.680 120.400 0.140 0.000 3.012 738 D HA -0.121 4.519 4.640 -0.001 0.000 0.222 738 D C 0.240 176.659 176.300 0.198 0.000 1.167 738 D CA 1.077 55.102 54.000 0.041 0.000 0.854 738 D CB -0.386 40.238 40.800 -0.293 0.000 1.107 738 D HN 0.518 nan 8.370 nan 0.000 0.421 739 E N 0.519 120.858 120.200 0.231 0.000 2.283 739 E HA 0.255 4.604 4.350 -0.001 0.000 0.271 739 E C 0.805 177.551 176.600 0.244 0.000 1.031 739 E CA -0.416 56.123 56.400 0.232 0.000 0.868 739 E CB 1.112 30.944 29.700 0.219 0.000 1.094 739 E HN 0.073 nan 8.360 nan 0.000 0.401 740 D N 0.069 120.612 120.400 0.238 0.000 2.289 740 D HA -0.060 4.580 4.640 -0.001 0.000 0.266 740 D C 0.756 177.226 176.300 0.284 0.000 1.243 740 D CA 0.106 54.264 54.000 0.262 0.000 1.019 740 D CB 0.326 41.276 40.800 0.251 0.000 1.126 740 D HN 0.461 nan 8.370 nan 0.000 0.541 741 H N -1.449 117.749 119.070 0.212 0.000 2.533 741 H HA 0.242 4.798 4.556 -0.001 0.000 0.271 741 H C 1.142 176.647 175.328 0.295 0.000 1.000 741 H CA 0.695 56.884 56.048 0.234 0.000 1.149 741 H CB -0.120 29.771 29.762 0.214 0.000 1.375 741 H HN 0.298 nan 8.280 nan 0.000 0.582 742 G N -0.421 108.481 108.800 0.170 0.000 2.944 742 G HA2 0.106 4.065 3.960 -0.001 0.000 0.223 742 G HA3 0.106 4.065 3.960 -0.001 0.000 0.223 742 G C 0.478 175.491 174.900 0.189 0.000 1.071 742 G CA 0.113 45.251 45.100 0.064 0.000 0.806 742 G HN 0.431 nan 8.290 nan 0.000 0.538 743 I N 0.386 121.069 120.570 0.189 0.000 6.272 743 I HA -0.326 3.844 4.170 -0.001 0.000 0.126 743 I C 1.535 177.714 176.117 0.102 0.000 1.619 743 I CA 0.196 61.560 61.300 0.106 0.000 2.452 743 I CB -1.364 36.647 38.000 0.019 0.000 3.064 743 I HN 0.247 nan 8.210 nan 0.000 0.279 744 A N 0.983 123.850 122.820 0.078 0.000 2.308 744 A HA 0.286 4.605 4.320 -0.001 0.000 0.217 744 A C 1.282 178.882 177.584 0.027 0.000 1.216 744 A CA 0.567 52.617 52.037 0.021 0.000 0.864 744 A CB 0.044 19.024 19.000 -0.034 0.000 0.902 744 A HN 0.664 nan 8.150 nan 0.000 0.499 745 S N -0.628 115.111 115.700 0.065 0.000 2.580 745 S HA 0.178 4.648 4.470 -0.001 0.000 0.266 745 S C 1.207 175.853 174.600 0.076 0.000 1.354 745 S CA 0.278 58.518 58.200 0.067 0.000 1.008 745 S CB 0.950 64.200 63.200 0.084 0.000 0.898 745 S HN 0.369 nan 8.310 nan 0.000 0.555 746 S N 1.640 117.378 115.700 0.063 0.000 2.380 746 S HA -0.160 4.309 4.470 -0.001 0.000 0.217 746 S C 2.151 176.813 174.600 0.103 0.000 1.036 746 S CA 2.138 60.384 58.200 0.077 0.000 1.050 746 S CB -1.709 61.518 63.200 0.046 0.000 1.016 746 S HN 0.989 nan 8.310 nan 0.000 0.419 747 T N 1.791 116.393 114.554 0.080 0.000 2.653 747 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 747 T C 1.938 176.701 174.700 0.105 0.000 1.037 747 T CA 1.880 64.033 62.100 0.088 0.000 1.159 747 T CB -1.205 67.711 68.868 0.079 0.000 0.859 747 T HN 0.550 nan 8.240 nan 0.000 0.449 748 A N 1.281 124.144 122.820 0.071 0.000 1.930 748 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 748 A C 2.165 179.709 177.584 -0.065 0.000 1.175 748 A CA 1.976 53.996 52.037 -0.028 0.000 0.627 748 A CB -1.016 17.933 19.000 -0.085 0.000 0.815 748 A HN 0.719 nan 8.150 nan 0.000 0.443 749 H N 0.102 119.148 119.070 -0.041 0.000 2.319 749 H HA -0.141 4.415 4.556 -0.001 0.000 0.299 749 H C 2.105 177.488 175.328 0.091 0.000 1.092 749 H CA 2.363 58.427 56.048 0.028 0.000 1.302 749 H CB -0.256 29.532 29.762 0.045 0.000 1.373 749 H HN 0.588 nan 8.280 nan 0.000 0.497 750 Q N -0.818 118.948 119.800 -0.056 0.000 2.020 750 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 750 Q C 2.289 178.253 176.000 -0.059 0.000 0.982 750 Q CA 1.405 57.142 55.803 -0.110 0.000 0.838 750 Q CB -0.367 28.357 28.738 -0.024 0.000 0.899 750 Q HN 0.618 nan 8.270 nan 0.000 0.423 751 H N 1.079 120.116 119.070 -0.056 0.000 2.265 751 H HA -0.166 4.389 4.556 -0.001 0.000 0.295 751 H C 2.083 177.403 175.328 -0.012 0.000 1.084 751 H CA 1.888 57.942 56.048 0.010 0.000 1.261 751 H CB -0.274 29.554 29.762 0.109 0.000 1.360 751 H HN 0.311 nan 8.280 nan 0.000 0.487 752 I N -0.010 120.563 120.570 0.004 0.000 2.361 752 I HA -0.318 3.851 4.170 -0.001 0.000 0.251 752 I C 1.841 177.764 176.117 -0.323 0.000 1.133 752 I CA 1.310 62.526 61.300 -0.140 0.000 1.413 752 I CB -0.288 37.405 38.000 -0.511 0.000 1.073 752 I HN 0.171 nan 8.210 nan 0.000 0.424 753 Y N 0.469 120.559 120.300 -0.350 0.000 2.263 753 Y HA -0.168 4.382 4.550 -0.001 0.000 0.292 753 Y C 2.851 178.502 175.900 -0.414 0.000 1.130 753 Y CA 1.529 59.283 58.100 -0.577 0.000 1.179 753 Y CB -0.283 37.778 38.460 -0.664 0.000 0.998 753 Y HN 0.140 nan 8.280 nan 0.000 0.532 754 S N -0.949 114.645 115.700 -0.176 0.000 2.359 754 S HA -0.298 4.172 4.470 -0.001 0.000 0.224 754 S C 1.714 176.103 174.600 -0.350 0.000 1.035 754 S CA 1.760 59.785 58.200 -0.292 0.000 1.018 754 S CB -0.561 62.501 63.200 -0.229 0.000 0.876 754 S HN 0.555 nan 8.310 nan 0.000 0.448 755 H N 1.217 120.154 119.070 -0.223 0.000 2.290 755 H HA 0.003 4.559 4.556 -0.001 0.000 0.298 755 H C 2.109 177.423 175.328 -0.023 0.000 1.087 755 H CA 2.012 58.023 56.048 -0.062 0.000 1.291 755 H CB -0.227 29.535 29.762 -0.000 0.000 1.369 755 H HN 0.296 nan 8.280 nan 0.000 0.492 756 M N -0.644 118.953 119.600 -0.005 0.000 2.159 756 M HA -0.185 4.295 4.480 -0.001 0.000 0.263 756 M C 2.463 178.888 176.300 0.208 0.000 1.063 756 M CA 1.538 56.847 55.300 0.015 0.000 1.110 756 M CB 0.016 32.419 32.600 -0.329 0.000 1.374 756 M HN 0.215 nan 8.290 nan 0.000 0.411 757 S N -0.493 115.316 115.700 0.182 0.000 2.351 757 S HA -0.174 4.295 4.470 -0.001 0.000 0.220 757 S C 1.715 176.397 174.600 0.136 0.000 1.035 757 S CA 1.229 59.607 58.200 0.296 0.000 1.031 757 S CB -0.724 62.571 63.200 0.157 0.000 0.928 757 S HN 0.482 nan 8.310 nan 0.000 0.433 758 H N -0.027 119.097 119.070 0.091 0.000 2.422 758 H HA -0.062 4.493 4.556 -0.001 0.000 0.298 758 H C 1.915 177.225 175.328 -0.030 0.000 1.098 758 H CA 1.179 57.226 56.048 -0.002 0.000 1.315 758 H CB -0.729 28.977 29.762 -0.093 0.000 1.382 758 H HN 0.456 nan 8.280 nan 0.000 0.523 759 F N 1.162 121.096 119.950 -0.026 0.000 2.186 759 F HA -0.110 4.416 4.527 -0.001 0.000 0.299 759 F C 2.251 178.015 175.800 -0.060 0.000 1.090 759 F CA 0.811 58.777 58.000 -0.056 0.000 1.307 759 F CB -0.361 38.609 39.000 -0.050 0.000 1.019 759 F HN -0.010 nan 8.300 nan 0.000 0.489 760 L N -0.364 120.837 121.223 -0.036 0.000 2.109 760 L HA -0.184 4.155 4.340 -0.001 0.000 0.207 760 L C 2.453 179.181 176.870 -0.236 0.000 1.086 760 L CA 1.178 55.859 54.840 -0.264 0.000 0.760 760 L CB -0.787 41.209 42.059 -0.105 0.000 0.910 760 L HN 0.192 nan 8.230 nan 0.000 0.437 761 Q N -0.269 119.512 119.800 -0.031 0.000 2.030 761 Q HA -0.272 4.067 4.340 -0.001 0.000 0.204 761 Q C 2.253 178.233 176.000 -0.034 0.000 0.986 761 Q CA 1.750 57.577 55.803 0.040 0.000 0.843 761 Q CB -0.144 28.666 28.738 0.120 0.000 0.904 761 Q HN 0.546 nan 8.270 nan 0.000 0.420 762 Q N -0.182 119.548 119.800 -0.118 0.000 2.030 762 Q HA -0.217 4.123 4.340 -0.001 0.000 0.204 762 Q C 2.470 178.347 176.000 -0.205 0.000 0.986 762 Q CA 1.491 57.201 55.803 -0.155 0.000 0.843 762 Q CB -0.508 28.107 28.738 -0.205 0.000 0.904 762 Q HN 0.467 nan 8.270 nan 0.000 0.420 763 c N 0.148 118.501 118.600 -0.412 0.000 2.413 763 c HA -0.134 4.436 4.570 -0.001 0.000 0.276 763 c C 2.098 176.139 174.090 -0.082 0.000 1.248 763 c CA 0.604 56.706 56.329 -0.379 0.000 1.742 763 c CB -1.031 41.080 42.510 -0.666 0.000 2.017 763 c HN 0.498 nan 8.230 nan 0.000 0.481 764 F N 0.773 120.672 119.950 -0.084 0.000 2.773 764 F HA 0.127 4.653 4.527 -0.001 0.000 0.304 764 F C 1.537 177.316 175.800 -0.035 0.000 1.129 764 F CA 0.173 58.149 58.000 -0.040 0.000 1.378 764 F CB -0.079 38.907 39.000 -0.023 0.000 1.095 764 F HN 0.177 nan 8.300 nan 0.000 0.565 765 S N 0.809 116.583 115.700 0.125 0.000 3.587 765 S HA -0.192 4.278 4.470 -0.001 0.000 0.337 765 S C 0.530 175.165 174.600 0.059 0.000 1.119 765 S CA 0.355 58.593 58.200 0.063 0.000 0.976 765 S CB -1.950 61.280 63.200 0.049 0.000 0.922 765 S HN 0.346 nan 8.310 nan 0.000 0.503 766 L N -0.445 120.825 121.223 0.079 0.000 2.674 766 L HA 0.635 4.974 4.340 -0.001 0.000 0.182 766 L C 1.311 178.212 176.870 0.051 0.000 1.867 766 L CA -0.847 54.032 54.840 0.066 0.000 2.994 766 L CB -0.365 41.749 42.059 0.091 0.000 2.945 766 L HN 0.457 nan 8.230 nan 0.000 0.729 767 R N 0.000 120.540 120.500 0.066 0.000 2.786 767 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 767 R CA 0.000 56.138 56.100 0.063 0.000 0.921 767 R CB 0.000 30.338 30.300 0.063 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535