REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2gbf_1_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 0.000 176.355 176.300 0.092 0.000 0.893 38 R CA 0.000 56.154 56.100 0.089 0.000 0.921 38 R CB 0.000 30.350 30.300 0.084 0.000 0.687 39 R N -0.035 120.523 120.500 0.097 0.000 2.486 39 R HA 0.956 5.296 4.340 -0.001 0.000 0.286 39 R C 0.770 177.141 176.300 0.119 0.000 0.999 39 R CA 0.465 56.633 56.100 0.113 0.000 0.993 39 R CB 0.470 30.852 30.300 0.137 0.000 1.084 39 R HN 1.542 nan 8.270 nan 0.000 0.487 40 T N -0.608 114.024 114.554 0.129 0.000 2.897 40 T HA 0.515 4.865 4.350 -0.001 0.000 0.278 40 T C -0.446 174.392 174.700 0.230 0.000 0.981 40 T CA -0.409 61.774 62.100 0.138 0.000 0.973 40 T CB 0.502 69.434 68.868 0.106 0.000 1.092 40 T HN 0.705 nan 8.240 nan 0.000 0.543 41 Y N 2.058 122.415 120.300 0.096 0.000 2.595 41 Y HA 0.506 5.056 4.550 -0.001 0.000 0.347 41 Y C 1.036 177.111 175.900 0.291 0.000 1.025 41 Y CA -0.807 57.398 58.100 0.175 0.000 1.295 41 Y CB -0.522 37.998 38.460 0.100 0.000 1.147 41 Y HN 0.964 nan 8.280 nan 0.000 0.515 42 T N 2.913 117.513 114.554 0.076 0.000 2.795 42 T HA 0.334 4.683 4.350 -0.001 0.000 0.314 42 T C 1.543 176.228 174.700 -0.026 0.000 1.069 42 T CA 0.266 62.437 62.100 0.118 0.000 1.071 42 T CB 0.276 69.178 68.868 0.056 0.000 0.988 42 T HN 0.946 nan 8.240 nan 0.000 0.543 43 L N 0.543 121.632 121.223 -0.224 0.000 2.291 43 L HA 0.457 4.796 4.340 -0.001 0.000 0.214 43 L C 3.037 179.752 176.870 -0.259 0.000 1.120 43 L CA 2.226 56.629 54.840 -0.728 0.000 0.799 43 L CB -1.913 39.520 42.059 -1.042 0.000 0.925 43 L HN 1.112 nan 8.230 nan 0.000 0.446 44 A N -0.959 121.764 122.820 -0.161 0.000 1.929 44 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 44 A C 2.131 179.646 177.584 -0.115 0.000 1.176 44 A CA 1.215 53.188 52.037 -0.107 0.000 0.628 44 A CB -0.591 18.372 19.000 -0.062 0.000 0.816 44 A HN 0.601 nan 8.150 nan 0.000 0.444 45 D N -1.417 118.889 120.400 -0.157 0.000 2.149 45 D HA -0.179 4.461 4.640 -0.001 0.000 0.198 45 D C 1.623 177.861 176.300 -0.104 0.000 0.990 45 D CA 1.688 55.590 54.000 -0.162 0.000 0.839 45 D CB -0.279 40.342 40.800 -0.298 0.000 0.948 45 D HN 0.621 nan 8.370 nan 0.000 0.460 46 Y N 1.396 121.505 120.300 -0.318 0.000 2.130 46 Y HA -0.059 4.490 4.550 -0.001 0.000 0.287 46 Y C 2.285 178.159 175.900 -0.045 0.000 1.124 46 Y CA 1.123 59.168 58.100 -0.092 0.000 1.118 46 Y CB -0.618 37.789 38.460 -0.088 0.000 0.994 46 Y HN -0.149 nan 8.280 nan 0.000 0.497 47 L N 0.225 121.297 121.223 -0.251 0.000 2.079 47 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 47 L C 1.951 178.708 176.870 -0.188 0.000 1.081 47 L CA 1.445 56.101 54.840 -0.307 0.000 0.752 47 L CB -0.461 41.496 42.059 -0.169 0.000 0.896 47 L HN 0.163 nan 8.230 nan 0.000 0.433 48 K N -0.220 120.101 120.400 -0.132 0.000 2.404 48 K HA 0.031 4.351 4.320 -0.001 0.000 0.194 48 K C 0.235 176.784 176.600 -0.085 0.000 1.023 48 K CA -0.052 56.179 56.287 -0.093 0.000 1.094 48 K CB -0.281 32.170 32.500 -0.080 0.000 0.841 48 K HN 0.173 nan 8.250 nan 0.000 0.523 49 N N 1.205 119.856 118.700 -0.082 0.000 2.708 49 N HA -0.161 4.579 4.740 -0.001 0.000 0.255 49 N C 0.167 175.662 175.510 -0.025 0.000 1.046 49 N CA 0.860 53.900 53.050 -0.017 0.000 0.715 49 N CB -1.334 37.134 38.487 -0.031 0.000 0.895 49 N HN 0.075 nan 8.380 nan 0.000 0.545 50 T N -0.354 114.153 114.554 -0.078 0.000 2.746 50 T HA -0.070 4.279 4.350 -0.001 0.000 0.267 50 T C 0.503 174.955 174.700 -0.414 0.000 1.039 50 T CA 1.366 63.273 62.100 -0.322 0.000 1.142 50 T CB -0.194 68.333 68.868 -0.568 0.000 0.866 50 T HN 0.398 nan 8.240 nan 0.000 0.444 51 F N 2.325 122.380 119.950 0.175 0.000 2.293 51 F HA 0.389 4.916 4.527 -0.001 0.000 0.370 51 F C 0.573 176.464 175.800 0.151 0.000 1.090 51 F CA -1.294 56.810 58.000 0.173 0.000 1.133 51 F CB 0.382 39.519 39.000 0.227 0.000 1.360 51 F HN -0.128 nan 8.300 nan 0.000 0.489 52 R N 2.597 123.230 120.500 0.220 0.000 2.442 52 R HA 0.425 4.765 4.340 -0.001 0.000 0.291 52 R C -1.295 175.123 176.300 0.196 0.000 1.069 52 R CA -0.224 55.977 56.100 0.167 0.000 1.022 52 R CB 0.794 31.154 30.300 0.099 0.000 0.976 52 R HN 0.431 nan 8.270 nan 0.000 0.443 53 V N 6.115 126.145 119.914 0.194 0.000 2.333 53 V HA 0.215 4.335 4.120 -0.001 0.000 0.274 53 V C 0.150 176.345 176.094 0.168 0.000 1.028 53 V CA -0.573 61.856 62.300 0.215 0.000 0.851 53 V CB 1.164 33.153 31.823 0.276 0.000 1.000 53 V HN 0.821 nan 8.190 nan 0.000 0.456 54 K N 2.797 123.288 120.400 0.152 0.000 2.117 54 K HA 0.711 5.031 4.320 -0.001 0.000 0.240 54 K C 0.304 176.962 176.600 0.097 0.000 1.031 54 K CA -0.294 56.058 56.287 0.109 0.000 0.909 54 K CB 1.193 33.752 32.500 0.098 0.000 1.097 54 K HN 0.840 nan 8.250 nan 0.000 0.492 55 S N -0.693 114.961 115.700 -0.077 0.000 2.790 55 S HA 0.366 4.835 4.470 -0.001 0.000 0.292 55 S C -1.826 172.467 174.600 -0.511 0.000 1.197 55 S CA -0.883 56.983 58.200 -0.557 0.000 0.851 55 S CB 0.743 63.744 63.200 -0.331 0.000 1.217 55 S HN 0.600 nan 8.310 nan 0.000 0.526 56 Y N 1.168 120.874 120.300 -0.991 0.000 2.475 56 Y HA 0.552 5.102 4.550 -0.001 0.000 0.343 56 Y C -0.865 174.884 175.900 -0.252 0.000 1.068 56 Y CA -0.411 57.434 58.100 -0.424 0.000 1.307 56 Y CB 1.476 39.665 38.460 -0.452 0.000 1.097 56 Y HN 0.742 nan 8.280 nan 0.000 0.530 57 S N 6.658 122.237 115.700 -0.202 0.000 2.415 57 S HA 0.441 4.911 4.470 -0.001 0.000 0.313 57 S C -0.516 173.963 174.600 -0.202 0.000 1.067 57 S CA -0.634 57.474 58.200 -0.153 0.000 1.099 57 S CB -0.439 62.702 63.200 -0.099 0.000 0.991 57 S HN 0.547 nan 8.310 nan 0.000 0.491 58 L N 1.297 122.342 121.223 -0.295 0.000 2.400 58 L HA 0.731 5.070 4.340 -0.001 0.000 0.264 58 L C 0.124 176.833 176.870 -0.268 0.000 1.061 58 L CA -0.738 53.861 54.840 -0.401 0.000 0.799 58 L CB 0.341 41.794 42.059 -1.009 0.000 1.240 58 L HN 0.303 nan 8.230 nan 0.000 0.461 59 R N 0.376 120.774 120.500 -0.170 0.000 2.472 59 R HA 0.276 4.615 4.340 -0.001 0.000 0.294 59 R C -1.668 174.668 176.300 0.059 0.000 1.243 59 R CA -0.285 55.797 56.100 -0.030 0.000 1.023 59 R CB 0.786 31.119 30.300 0.055 0.000 1.157 59 R HN 0.671 nan 8.270 nan 0.000 0.530 60 W N 2.617 124.004 121.300 0.145 0.000 2.443 60 W HA -0.051 4.609 4.660 -0.001 0.000 0.335 60 W C 1.124 177.718 176.519 0.126 0.000 1.382 60 W CA -0.299 57.148 57.345 0.170 0.000 1.305 60 W CB 0.518 30.064 29.460 0.144 0.000 1.283 60 W HN 0.347 nan 8.180 nan 0.000 0.567 61 V N 2.634 122.781 119.914 0.388 0.000 3.644 61 V HA 0.027 4.147 4.120 -0.001 0.000 0.267 61 V C 0.803 177.015 176.094 0.196 0.000 1.277 61 V CA 1.095 63.518 62.300 0.205 0.000 1.096 61 V CB -0.389 31.484 31.823 0.082 0.000 0.828 61 V HN 0.605 nan 8.190 nan 0.000 0.446 62 S N -1.450 114.408 115.700 0.263 0.000 2.815 62 S HA 0.273 4.743 4.470 -0.001 0.000 0.296 62 S C 0.048 174.735 174.600 0.144 0.000 1.224 62 S CA 0.110 58.414 58.200 0.174 0.000 0.938 62 S CB 1.371 64.655 63.200 0.140 0.000 1.285 62 S HN 0.012 nan 8.310 nan 0.000 0.549 63 D N 0.420 120.875 120.400 0.090 0.000 2.349 63 D HA 0.222 4.861 4.640 -0.001 0.000 0.224 63 D C 1.219 177.600 176.300 0.134 0.000 1.029 63 D CA 1.161 55.180 54.000 0.031 0.000 0.879 63 D CB 0.076 40.899 40.800 0.038 0.000 0.906 63 D HN 0.531 nan 8.370 nan 0.000 0.528 64 S N -2.294 113.524 115.700 0.197 0.000 2.820 64 S HA 0.280 4.749 4.470 -0.001 0.000 0.265 64 S C 0.375 175.091 174.600 0.194 0.000 1.043 64 S CA -0.674 57.655 58.200 0.216 0.000 1.245 64 S CB 0.888 64.219 63.200 0.219 0.000 1.187 64 S HN 0.028 nan 8.310 nan 0.000 0.673 65 E N 0.485 120.866 120.200 0.302 0.000 2.369 65 E HA 0.667 5.017 4.350 -0.001 0.000 0.270 65 E C -1.664 175.163 176.600 0.379 0.000 0.909 65 E CA -1.064 55.463 56.400 0.212 0.000 0.775 65 E CB 2.183 31.933 29.700 0.083 0.000 1.270 65 E HN 0.434 nan 8.360 nan 0.000 0.445 66 Y N -0.908 119.478 120.300 0.143 0.000 2.655 66 Y HA 0.658 5.208 4.550 -0.000 0.000 0.336 66 Y C -1.783 174.127 175.900 0.015 0.000 1.154 66 Y CA -1.296 56.797 58.100 -0.012 0.000 1.055 66 Y CB 0.761 38.930 38.460 -0.485 0.000 1.295 66 Y HN 0.364 nan 8.280 nan 0.000 0.465 67 L N 2.177 123.571 121.223 0.285 0.000 2.334 67 L HA 0.575 4.915 4.340 -0.001 0.000 0.272 67 L C -1.438 175.656 176.870 0.374 0.000 1.020 67 L CA -1.052 53.923 54.840 0.225 0.000 0.812 67 L CB 1.894 43.995 42.059 0.069 0.000 1.264 67 L HN 0.792 nan 8.230 nan 0.000 0.439 68 Y N 1.918 122.327 120.300 0.181 0.000 2.442 68 Y HA 0.284 4.833 4.550 -0.001 0.000 0.330 68 Y C -0.775 175.142 175.900 0.028 0.000 1.100 68 Y CA -1.216 56.885 58.100 0.000 0.000 1.034 68 Y CB 1.533 39.880 38.460 -0.188 0.000 1.285 68 Y HN 0.433 nan 8.280 nan 0.000 0.440 69 K N 4.975 124.924 120.400 -0.752 0.000 2.312 69 K HA 0.306 4.626 4.320 -0.001 0.000 0.287 69 K C -1.033 175.139 176.600 -0.713 0.000 1.062 69 K CA -0.257 55.692 56.287 -0.563 0.000 0.934 69 K CB 0.647 32.914 32.500 -0.388 0.000 1.027 69 K HN 0.818 nan 8.250 nan 0.000 0.478 70 Q N 4.335 123.964 119.800 -0.285 0.000 2.294 70 Q HA 0.094 4.433 4.340 -0.001 0.000 0.264 70 Q C -1.266 174.681 176.000 -0.088 0.000 0.992 70 Q CA -0.302 55.446 55.803 -0.091 0.000 0.747 70 Q CB 1.108 29.953 28.738 0.178 0.000 1.262 70 Q HN 0.778 nan 8.270 nan 0.000 0.452 71 E N 3.224 123.372 120.200 -0.087 0.000 2.230 71 E HA -0.348 4.002 4.350 -0.001 0.000 0.206 71 E C -0.680 175.834 176.600 -0.144 0.000 1.309 71 E CA 0.416 56.766 56.400 -0.084 0.000 0.697 71 E CB -1.243 28.430 29.700 -0.045 0.000 1.146 71 E HN 0.854 nan 8.360 nan 0.000 0.363 72 N N 0.618 119.198 118.700 -0.200 0.000 2.716 72 N HA -0.185 4.555 4.740 -0.001 0.000 0.250 72 N C -1.046 174.205 175.510 -0.431 0.000 1.033 72 N CA 1.097 53.959 53.050 -0.314 0.000 0.727 72 N CB -0.669 37.678 38.487 -0.232 0.000 0.950 72 N HN 0.476 nan 8.380 nan 0.000 0.541 73 N N 0.605 119.088 118.700 -0.363 0.000 2.397 73 N HA 0.282 5.022 4.740 -0.001 0.000 0.291 73 N C -0.513 174.840 175.510 -0.261 0.000 1.065 73 N CA -0.540 52.321 53.050 -0.317 0.000 0.884 73 N CB 1.395 39.781 38.487 -0.169 0.000 1.551 73 N HN -0.041 nan 8.380 nan 0.000 0.487 74 I N 3.433 123.848 120.570 -0.259 0.000 2.312 74 I HA 0.351 4.521 4.170 -0.001 0.000 0.291 74 I C 0.335 176.494 176.117 0.069 0.000 1.031 74 I CA -0.224 61.008 61.300 -0.113 0.000 1.293 74 I CB 0.223 38.150 38.000 -0.121 0.000 1.403 74 I HN 0.282 nan 8.210 nan 0.000 0.484 75 L N 6.215 127.524 121.223 0.144 0.000 2.334 75 L HA 0.494 4.833 4.340 -0.001 0.000 0.273 75 L C -0.408 176.549 176.870 0.146 0.000 1.013 75 L CA -1.046 53.871 54.840 0.129 0.000 0.816 75 L CB 2.172 44.304 42.059 0.123 0.000 1.278 75 L HN 0.321 nan 8.230 nan 0.000 0.431 76 L N 2.340 123.539 121.223 -0.039 0.000 2.275 76 L HA 0.536 4.876 4.340 -0.001 0.000 0.288 76 L C -1.065 175.626 176.870 -0.297 0.000 1.046 76 L CA 0.346 55.135 54.840 -0.085 0.000 0.805 76 L CB 0.580 42.614 42.059 -0.042 0.000 1.193 76 L HN 0.192 nan 8.230 nan 0.000 0.426 77 F N 3.503 123.175 119.950 -0.463 0.000 2.492 77 F HA 0.430 4.957 4.527 -0.000 0.000 0.327 77 F C 0.517 175.992 175.800 -0.540 0.000 1.079 77 F CA -0.660 56.977 58.000 -0.605 0.000 0.967 77 F CB 1.382 39.719 39.000 -1.104 0.000 1.169 77 F HN 0.505 nan 8.300 nan 0.000 0.472 78 N N 2.159 120.770 118.700 -0.148 0.000 2.527 78 N HA 0.368 5.108 4.740 -0.001 0.000 0.236 78 N C -0.943 174.507 175.510 -0.100 0.000 0.999 78 N CA -0.187 52.810 53.050 -0.087 0.000 0.935 78 N CB 1.231 39.712 38.487 -0.011 0.000 1.132 78 N HN 0.743 nan 8.380 nan 0.000 0.511 79 A N 3.122 125.850 122.820 -0.153 0.000 2.484 79 A HA 0.260 4.580 4.320 -0.001 0.000 0.268 79 A C 0.811 178.082 177.584 -0.522 0.000 1.114 79 A CA 0.258 52.117 52.037 -0.296 0.000 0.780 79 A CB 0.039 18.781 19.000 -0.430 0.000 1.061 79 A HN 0.933 nan 8.150 nan 0.000 0.505 80 E N 0.806 120.838 120.200 -0.280 0.000 2.406 80 E HA -0.106 4.243 4.350 -0.001 0.000 0.220 80 E C -0.645 175.722 176.600 -0.389 0.000 0.878 80 E CA 0.644 56.863 56.400 -0.303 0.000 2.308 80 E CB -0.613 28.870 29.700 -0.361 0.000 3.082 80 E HN 0.792 nan 8.360 nan 0.000 0.902 81 H N 0.360 119.435 119.070 0.009 0.000 2.481 81 H HA 0.522 5.077 4.556 -0.001 0.000 0.333 81 H C 1.113 176.446 175.328 0.007 0.000 1.066 81 H CA 0.066 56.119 56.048 0.010 0.000 1.209 81 H CB 1.490 31.256 29.762 0.006 0.000 1.445 81 H HN 0.490 nan 8.280 nan 0.000 0.488 82 G N 3.063 111.932 108.800 0.115 0.000 2.790 82 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.220 82 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.220 82 G C 0.836 175.778 174.900 0.071 0.000 1.095 82 G CA 0.463 45.633 45.100 0.116 0.000 0.713 82 G HN 0.702 nan 8.290 nan 0.000 0.603 83 N N 0.344 119.073 118.700 0.049 0.000 1.792 83 N HA -0.008 4.731 4.740 -0.001 0.000 0.321 83 N C 0.793 176.212 175.510 -0.151 0.000 1.314 83 N CA 0.756 53.789 53.050 -0.027 0.000 0.814 83 N CB 0.293 38.791 38.487 0.017 0.000 1.073 83 N HN 0.398 nan 8.380 nan 0.000 0.503 84 S N 2.045 117.592 115.700 -0.256 0.000 2.694 84 S HA 0.811 5.281 4.470 -0.001 0.000 0.286 84 S C -0.325 174.064 174.600 -0.352 0.000 1.080 84 S CA -0.108 57.764 58.200 -0.546 0.000 0.953 84 S CB 1.657 64.374 63.200 -0.806 0.000 1.313 84 S HN 0.828 nan 8.310 nan 0.000 0.555 85 S N -0.904 114.572 115.700 -0.373 0.000 2.798 85 S HA 0.218 4.688 4.470 -0.001 0.000 0.291 85 S C -1.491 173.035 174.600 -0.125 0.000 0.894 85 S CA -0.830 57.259 58.200 -0.186 0.000 0.838 85 S CB -0.471 62.660 63.200 -0.115 0.000 1.047 85 S HN 0.769 nan 8.310 nan 0.000 0.482 86 I N 4.881 125.410 120.570 -0.069 0.000 2.556 86 I HA 0.226 4.396 4.170 -0.001 0.000 0.284 86 I C 0.744 176.893 176.117 0.053 0.000 1.114 86 I CA 0.128 61.414 61.300 -0.024 0.000 1.418 86 I CB 0.689 38.660 38.000 -0.049 0.000 1.394 86 I HN 0.791 nan 8.210 nan 0.000 0.552 87 F N 7.064 126.971 119.950 -0.072 0.000 2.557 87 F HA 0.418 4.944 4.527 -0.001 0.000 0.278 87 F C 0.120 175.900 175.800 -0.033 0.000 1.051 87 F CA 0.238 58.216 58.000 -0.037 0.000 1.357 87 F CB 0.594 39.588 39.000 -0.009 0.000 1.104 87 F HN 0.134 nan 8.300 nan 0.000 0.654 88 L N 1.143 122.359 121.223 -0.011 0.000 2.482 88 L HA 0.325 4.665 4.340 -0.001 0.000 0.263 88 L C -0.772 175.997 176.870 -0.168 0.000 0.957 88 L CA -0.810 53.957 54.840 -0.121 0.000 0.836 88 L CB 2.432 44.461 42.059 -0.050 0.000 1.324 88 L HN -0.096 nan 8.230 nan 0.000 0.406 89 E N 1.363 121.460 120.200 -0.171 0.000 2.314 89 E HA 0.129 4.479 4.350 -0.001 0.000 0.262 89 E C 0.146 176.610 176.600 -0.228 0.000 1.093 89 E CA -0.609 55.688 56.400 -0.171 0.000 0.908 89 E CB 0.977 30.607 29.700 -0.117 0.000 1.091 89 E HN 0.483 nan 8.360 nan 0.000 0.425 90 N N 0.726 119.314 118.700 -0.187 0.000 2.184 90 N HA -0.154 4.585 4.740 -0.001 0.000 0.190 90 N C 1.103 176.528 175.510 -0.141 0.000 1.011 90 N CA 0.844 53.786 53.050 -0.181 0.000 0.867 90 N CB -0.050 38.369 38.487 -0.112 0.000 0.993 90 N HN 0.281 nan 8.380 nan 0.000 0.433 91 S N -1.259 114.376 115.700 -0.109 0.000 2.536 91 S HA 0.032 4.501 4.470 -0.001 0.000 0.248 91 S C 1.141 175.716 174.600 -0.042 0.000 1.287 91 S CA 1.434 59.593 58.200 -0.069 0.000 0.978 91 S CB 0.004 63.163 63.200 -0.069 0.000 0.992 91 S HN 0.531 nan 8.310 nan 0.000 0.539 92 T N 0.474 114.988 114.554 -0.066 0.000 12.996 92 T HA -0.297 4.053 4.350 -0.001 0.000 0.419 92 T C 1.083 175.794 174.700 0.017 0.000 1.441 92 T CA 2.212 64.244 62.100 -0.112 0.000 2.368 92 T CB -1.953 66.790 68.868 -0.208 0.000 2.821 92 T HN 0.509 nan 8.240 nan 0.000 0.685 93 F N 3.008 122.846 119.950 -0.187 0.000 2.147 93 F HA -0.129 4.397 4.527 -0.001 0.000 0.301 93 F C 2.608 178.340 175.800 -0.113 0.000 1.084 93 F CA 1.846 59.767 58.000 -0.132 0.000 1.268 93 F CB -0.546 38.385 39.000 -0.114 0.000 1.009 93 F HN 0.583 nan 8.300 nan 0.000 0.486 94 E N 1.068 121.318 120.200 0.085 0.000 2.347 94 E HA -0.172 4.178 4.350 -0.001 0.000 0.196 94 E C 2.035 178.612 176.600 -0.040 0.000 1.008 94 E CA 1.033 57.440 56.400 0.011 0.000 0.852 94 E CB -0.944 28.755 29.700 -0.002 0.000 0.783 94 E HN 0.470 nan 8.360 nan 0.000 0.505 95 I N 1.195 121.729 120.570 -0.060 0.000 2.099 95 I HA -0.250 3.919 4.170 -0.001 0.000 0.239 95 I C 2.462 178.496 176.117 -0.137 0.000 1.066 95 I CA 2.030 63.279 61.300 -0.086 0.000 1.324 95 I CB -0.924 37.025 38.000 -0.085 0.000 1.037 95 I HN 0.114 nan 8.210 nan 0.000 0.401 96 F N 2.797 122.622 119.950 -0.209 0.000 2.727 96 F HA 0.548 5.075 4.527 -0.001 0.000 0.349 96 F C 1.467 177.129 175.800 -0.229 0.000 1.172 96 F CA -0.245 57.548 58.000 -0.346 0.000 1.355 96 F CB -1.936 36.710 39.000 -0.590 0.000 1.546 96 F HN 0.344 nan 8.300 nan 0.000 0.596 97 G N 0.999 109.717 108.800 -0.138 0.000 2.602 97 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.306 97 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.306 97 G C 0.622 175.493 174.900 -0.049 0.000 1.301 97 G CA 0.539 45.592 45.100 -0.078 0.000 0.974 97 G HN 1.173 nan 8.290 nan 0.000 0.547 98 D N -0.359 120.025 120.400 -0.026 0.000 2.440 98 D HA 0.157 4.797 4.640 -0.001 0.000 0.216 98 D C 1.718 178.020 176.300 0.004 0.000 1.150 98 D CA 0.918 54.916 54.000 -0.003 0.000 0.832 98 D CB -0.129 40.670 40.800 -0.001 0.000 0.992 98 D HN 0.664 nan 8.370 nan 0.000 0.502 99 S N 0.097 115.795 115.700 -0.003 0.000 2.634 99 S HA 0.141 4.610 4.470 -0.001 0.000 0.221 99 S C 0.920 175.556 174.600 0.059 0.000 0.952 99 S CA -0.519 57.702 58.200 0.035 0.000 0.930 99 S CB -0.250 62.992 63.200 0.069 0.000 0.780 99 S HN 0.119 nan 8.310 nan 0.000 0.498 100 I N 3.596 124.174 120.570 0.013 0.000 2.357 100 I HA 0.105 4.275 4.170 -0.001 0.000 0.300 100 I C 1.672 177.801 176.117 0.020 0.000 1.159 100 I CA 0.072 61.366 61.300 -0.011 0.000 1.339 100 I CB -0.242 37.683 38.000 -0.125 0.000 1.458 100 I HN 0.379 nan 8.210 nan 0.000 0.577 101 S N 4.180 119.897 115.700 0.029 0.000 2.368 101 S HA -0.111 4.358 4.470 -0.001 0.000 0.225 101 S C 0.708 175.326 174.600 0.029 0.000 1.030 101 S CA 1.405 59.602 58.200 -0.005 0.000 0.999 101 S CB 0.224 63.435 63.200 0.019 0.000 0.844 101 S HN 0.797 nan 8.310 nan 0.000 0.459 102 D N -2.321 118.123 120.400 0.073 0.000 2.792 102 D HA 0.356 4.996 4.640 -0.001 0.000 0.335 102 D C -1.764 174.652 176.300 0.194 0.000 1.353 102 D CA -0.469 53.621 54.000 0.150 0.000 0.839 102 D CB 0.797 41.663 40.800 0.111 0.000 1.396 102 D HN 0.281 nan 8.370 nan 0.000 0.479 103 Y N -1.267 119.104 120.300 0.119 0.000 2.571 103 Y HA 0.735 5.285 4.550 -0.001 0.000 0.341 103 Y C -1.463 174.572 175.900 0.226 0.000 1.076 103 Y CA -0.861 57.325 58.100 0.142 0.000 1.029 103 Y CB 1.859 40.425 38.460 0.176 0.000 1.308 103 Y HN 0.184 nan 8.280 nan 0.000 0.461 104 S N 2.516 118.363 115.700 0.245 0.000 2.736 104 S HA 0.597 5.067 4.470 -0.001 0.000 0.285 104 S C -1.746 173.169 174.600 0.525 0.000 1.163 104 S CA -0.605 57.738 58.200 0.239 0.000 1.025 104 S CB 0.799 64.141 63.200 0.236 0.000 1.030 104 S HN 0.720 nan 8.310 nan 0.000 0.486 105 V N 5.235 125.380 119.914 0.385 0.000 2.461 105 V HA 0.390 4.510 4.120 -0.001 0.000 0.275 105 V C 0.892 176.921 176.094 -0.108 0.000 1.047 105 V CA -0.621 61.854 62.300 0.292 0.000 0.955 105 V CB 0.993 32.995 31.823 0.298 0.000 0.988 105 V HN 1.001 nan 8.190 nan 0.000 0.471 106 S N 6.933 122.234 115.700 -0.665 0.000 2.558 106 S HA 0.101 4.570 4.470 -0.001 0.000 0.287 106 S C -1.047 173.257 174.600 -0.494 0.000 1.321 106 S CA -0.493 56.833 58.200 -1.456 0.000 1.048 106 S CB 0.527 62.755 63.200 -1.619 0.000 0.844 106 S HN 0.673 nan 8.310 nan 0.000 0.512 107 P HA -0.133 nan 4.420 nan 0.000 0.218 107 P C 0.657 177.918 177.300 -0.065 0.000 1.148 107 P CA 1.397 64.430 63.100 -0.112 0.000 0.822 107 P CB -0.291 31.376 31.700 -0.055 0.000 0.784 108 D N -0.146 120.211 120.400 -0.072 0.000 2.344 108 D HA -0.067 4.573 4.640 -0.001 0.000 0.242 108 D C 0.406 176.703 176.300 -0.005 0.000 1.159 108 D CA -0.312 53.687 54.000 -0.003 0.000 0.859 108 D CB -0.858 39.982 40.800 0.067 0.000 0.925 108 D HN 0.100 nan 8.370 nan 0.000 0.510 109 R N -0.489 120.007 120.500 -0.006 0.000 3.701 109 R HA -0.205 4.135 4.340 -0.001 0.000 0.276 109 R C 0.860 177.187 176.300 0.044 0.000 1.150 109 R CA 0.536 56.699 56.100 0.105 0.000 0.763 109 R CB -2.104 28.307 30.300 0.185 0.000 1.147 109 R HN 0.365 nan 8.270 nan 0.000 0.489 110 L N -1.170 119.986 121.223 -0.113 0.000 2.354 110 L HA 0.190 4.529 4.340 -0.001 0.000 0.212 110 L C 0.533 176.966 176.870 -0.730 0.000 1.091 110 L CA 0.806 55.395 54.840 -0.419 0.000 0.828 110 L CB 0.167 41.919 42.059 -0.512 0.000 0.973 110 L HN -0.005 nan 8.230 nan 0.000 0.461 111 F N -1.910 117.963 119.950 -0.127 0.000 2.620 111 F HA 0.589 5.116 4.527 -0.001 0.000 0.320 111 F C -0.386 175.506 175.800 0.153 0.000 1.069 111 F CA -1.104 56.898 58.000 0.002 0.000 0.953 111 F CB 1.611 40.651 39.000 0.066 0.000 1.322 111 F HN -0.569 nan 8.300 nan 0.000 0.479 112 V N 2.402 122.653 119.914 0.561 0.000 2.686 112 V HA 0.380 4.500 4.120 -0.001 0.000 0.306 112 V C -0.604 175.832 176.094 0.570 0.000 1.065 112 V CA -0.793 61.854 62.300 0.578 0.000 0.894 112 V CB 2.104 34.237 31.823 0.517 0.000 1.004 112 V HN 0.559 nan 8.190 nan 0.000 0.424 113 L N 5.191 126.758 121.223 0.573 0.000 2.305 113 L HA 0.499 4.838 4.340 -0.001 0.000 0.281 113 L C -0.701 176.356 176.870 0.312 0.000 1.085 113 L CA -0.276 54.785 54.840 0.368 0.000 0.813 113 L CB 1.022 43.206 42.059 0.208 0.000 1.157 113 L HN 0.471 nan 8.230 nan 0.000 0.436 114 L N 4.439 125.814 121.223 0.254 0.000 2.318 114 L HA 0.388 4.728 4.340 -0.001 0.000 0.277 114 L C -0.056 176.901 176.870 0.146 0.000 1.008 114 L CA -0.380 54.539 54.840 0.132 0.000 0.846 114 L CB 1.592 43.669 42.059 0.030 0.000 1.220 114 L HN 0.582 nan 8.230 nan 0.000 0.423 115 E N 4.219 124.451 120.200 0.053 0.000 2.283 115 E HA 0.434 4.784 4.350 -0.001 0.000 0.278 115 E C -1.550 175.005 176.600 -0.075 0.000 1.027 115 E CA -0.344 55.916 56.400 -0.234 0.000 0.843 115 E CB 0.922 30.616 29.700 -0.010 0.000 1.062 115 E HN 0.427 nan 8.360 nan 0.000 0.401 116 Y N 1.192 121.303 120.300 -0.315 0.000 2.620 116 Y HA 0.349 4.898 4.550 -0.001 0.000 0.331 116 Y C -0.793 175.028 175.900 -0.132 0.000 1.173 116 Y CA -1.439 56.562 58.100 -0.165 0.000 1.076 116 Y CB 0.582 38.953 38.460 -0.148 0.000 1.336 116 Y HN 0.618 nan 8.280 nan 0.000 0.459 117 N N -0.110 118.640 118.700 0.083 0.000 2.815 117 N HA -0.270 4.469 4.740 -0.001 0.000 0.248 117 N C -1.225 174.294 175.510 0.014 0.000 1.110 117 N CA 0.844 53.913 53.050 0.030 0.000 0.699 117 N CB -1.781 36.673 38.487 -0.055 0.000 1.040 117 N HN 0.890 nan 8.380 nan 0.000 0.555 118 Y N 0.143 120.399 120.300 -0.074 0.000 2.620 118 Y HA 0.323 4.873 4.550 -0.001 0.000 0.330 118 Y C 0.035 175.925 175.900 -0.017 0.000 1.186 118 Y CA -0.024 58.043 58.100 -0.056 0.000 1.467 118 Y CB 0.621 38.991 38.460 -0.150 0.000 1.262 118 Y HN -0.018 nan 8.280 nan 0.000 0.550 119 V N 8.034 127.849 119.914 -0.165 0.000 2.447 119 V HA 0.192 4.312 4.120 -0.001 0.000 0.292 119 V C -0.248 175.722 176.094 -0.207 0.000 1.021 119 V CA -1.326 60.938 62.300 -0.059 0.000 0.850 119 V CB 1.358 33.149 31.823 -0.053 0.000 1.005 119 V HN 0.784 nan 8.190 nan 0.000 0.426 120 K N 4.028 124.418 120.400 -0.015 0.000 2.230 120 K HA 0.378 4.698 4.320 -0.001 0.000 0.253 120 K C -0.332 176.203 176.600 -0.110 0.000 1.008 120 K CA -0.115 56.181 56.287 0.015 0.000 0.910 120 K CB 0.673 33.303 32.500 0.216 0.000 0.994 120 K HN 0.759 nan 8.250 nan 0.000 0.495 121 Q N 3.377 123.074 119.800 -0.172 0.000 2.597 121 Q HA 0.092 4.432 4.340 -0.001 0.000 0.227 121 Q C -1.744 174.034 176.000 -0.371 0.000 0.803 121 Q CA -0.427 55.064 55.803 -0.520 0.000 1.030 121 Q CB 0.346 28.597 28.738 -0.812 0.000 1.559 121 Q HN 0.890 nan 8.270 nan 0.000 0.481 122 W N 1.436 122.779 121.300 0.071 0.000 3.094 122 W HA -0.346 4.314 4.660 -0.001 0.000 0.320 122 W C 1.144 177.638 176.519 -0.042 0.000 0.089 122 W CA -0.217 57.162 57.345 0.057 0.000 0.459 122 W CB -0.729 28.699 29.460 -0.054 0.000 2.828 122 W HN 0.704 nan 8.180 nan 0.000 0.416 123 R N -0.571 120.008 120.500 0.132 0.000 2.080 123 R HA -0.165 4.174 4.340 -0.001 0.000 0.236 123 R C 1.756 177.828 176.300 -0.380 0.000 1.137 123 R CA 2.482 58.448 56.100 -0.224 0.000 0.943 123 R CB -0.387 29.619 30.300 -0.490 0.000 0.846 123 R HN 0.508 nan 8.270 nan 0.000 0.431 124 H N -1.748 117.380 119.070 0.096 0.000 2.855 124 H HA 0.278 4.833 4.556 -0.001 0.000 0.259 124 H C 0.391 175.794 175.328 0.124 0.000 0.972 124 H CA -0.154 55.976 56.048 0.137 0.000 1.213 124 H CB 0.566 30.386 29.762 0.096 0.000 1.451 124 H HN 0.001 nan 8.280 nan 0.000 0.484 125 S N 1.243 116.890 115.700 -0.089 0.000 2.580 125 S HA 0.266 4.735 4.470 -0.001 0.000 0.266 125 S C -0.629 173.878 174.600 -0.156 0.000 1.354 125 S CA 0.043 57.887 58.200 -0.593 0.000 1.008 125 S CB 0.267 62.738 63.200 -1.214 0.000 0.898 125 S HN 0.536 nan 8.310 nan 0.000 0.555 126 Y N -2.589 117.566 120.300 -0.241 0.000 2.860 126 Y HA 0.441 4.990 4.550 -0.001 0.000 0.389 126 Y C -1.239 174.580 175.900 -0.135 0.000 1.143 126 Y CA -1.137 56.775 58.100 -0.313 0.000 1.330 126 Y CB 0.132 38.221 38.460 -0.617 0.000 1.481 126 Y HN 0.726 nan 8.280 nan 0.000 0.511 127 T N 0.683 115.214 114.554 -0.039 0.000 2.848 127 T HA 0.998 5.347 4.350 -0.001 0.000 0.285 127 T C -0.498 174.213 174.700 0.018 0.000 0.995 127 T CA 0.057 62.149 62.100 -0.013 0.000 0.970 127 T CB 1.531 70.388 68.868 -0.018 0.000 0.976 127 T HN 1.699 nan 8.240 nan 0.000 0.441 128 A N 2.371 125.206 122.820 0.025 0.000 2.443 128 A HA 0.961 5.280 4.320 -0.001 0.000 0.278 128 A C -0.259 177.080 177.584 -0.408 0.000 1.252 128 A CA -0.985 50.929 52.037 -0.205 0.000 0.816 128 A CB 1.400 20.224 19.000 -0.294 0.000 1.369 128 A HN 0.853 nan 8.150 nan 0.000 0.446 129 S N -1.126 114.069 115.700 -0.840 0.000 2.532 129 S HA 0.761 5.230 4.470 -0.001 0.000 0.301 129 S C -1.579 172.231 174.600 -1.315 0.000 1.083 129 S CA -0.118 57.529 58.200 -0.922 0.000 1.025 129 S CB 0.856 63.409 63.200 -1.079 0.000 1.056 129 S HN 0.454 nan 8.310 nan 0.000 0.494 130 Y N 0.172 120.172 120.300 -0.500 0.000 2.576 130 Y HA 0.649 5.199 4.550 -0.001 0.000 0.346 130 Y C 0.109 175.992 175.900 -0.029 0.000 1.018 130 Y CA -0.770 57.183 58.100 -0.245 0.000 1.050 130 Y CB 2.172 40.467 38.460 -0.275 0.000 1.280 130 Y HN 0.566 nan 8.280 nan 0.000 0.474 131 S N 2.425 118.269 115.700 0.240 0.000 2.575 131 S HA 0.547 5.016 4.470 -0.001 0.000 0.278 131 S C -1.435 173.264 174.600 0.166 0.000 1.139 131 S CA -0.681 57.625 58.200 0.177 0.000 0.954 131 S CB 1.117 64.435 63.200 0.197 0.000 1.054 131 S HN 0.336 nan 8.310 nan 0.000 0.483 132 I N 3.314 123.952 120.570 0.112 0.000 2.325 132 I HA 0.260 4.429 4.170 -0.001 0.000 0.291 132 I C -0.539 175.726 176.117 0.247 0.000 1.019 132 I CA -0.479 60.925 61.300 0.173 0.000 1.302 132 I CB 0.210 38.236 38.000 0.043 0.000 1.401 132 I HN 0.728 nan 8.210 nan 0.000 0.485 133 Y N 5.753 126.179 120.300 0.210 0.000 2.335 133 Y HA 0.275 4.824 4.550 -0.001 0.000 0.339 133 Y C 0.158 176.177 175.900 0.199 0.000 0.987 133 Y CA -0.628 57.566 58.100 0.158 0.000 1.140 133 Y CB 0.793 39.320 38.460 0.112 0.000 1.173 133 Y HN 0.509 nan 8.280 nan 0.000 0.486 134 D N 6.654 126.790 120.400 -0.440 0.000 2.336 134 D HA 0.080 4.720 4.640 -0.001 0.000 0.249 134 D C 0.874 176.726 176.300 -0.746 0.000 1.213 134 D CA 0.324 54.077 54.000 -0.413 0.000 0.870 134 D CB 0.828 41.525 40.800 -0.171 0.000 1.076 134 D HN 0.869 nan 8.370 nan 0.000 0.483 135 L N 3.741 124.641 121.223 -0.540 0.000 1.994 135 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 135 L C 2.122 178.788 176.870 -0.341 0.000 1.071 135 L CA 0.960 55.580 54.840 -0.368 0.000 0.745 135 L CB -0.472 41.401 42.059 -0.310 0.000 0.892 135 L HN 0.418 nan 8.230 nan 0.000 0.431 136 N N 0.559 119.039 118.700 -0.367 0.000 2.025 136 N HA -0.265 4.474 4.740 -0.001 0.000 0.194 136 N C 1.727 177.112 175.510 -0.207 0.000 1.044 136 N CA 1.612 54.505 53.050 -0.262 0.000 0.851 136 N CB -0.058 38.268 38.487 -0.269 0.000 1.036 136 N HN -0.008 nan 8.380 nan 0.000 0.422 137 K N 0.832 121.103 120.400 -0.214 0.000 2.504 137 K HA 0.107 4.426 4.320 -0.001 0.000 0.195 137 K C -0.382 176.119 176.600 -0.164 0.000 1.036 137 K CA 0.300 56.498 56.287 -0.149 0.000 0.984 137 K CB 0.057 32.501 32.500 -0.093 0.000 0.788 137 K HN 0.159 nan 8.250 nan 0.000 0.488 138 R N 0.690 121.037 120.500 -0.254 0.000 3.264 138 R HA -0.229 4.110 4.340 -0.001 0.000 0.251 138 R C -1.071 175.133 176.300 -0.161 0.000 0.971 138 R CA 1.124 57.103 56.100 -0.202 0.000 0.658 138 R CB -1.914 28.357 30.300 -0.050 0.000 1.095 138 R HN 0.579 nan 8.270 nan 0.000 0.443 139 Q N -1.517 118.030 119.800 -0.422 0.000 2.829 139 Q HA 0.462 4.802 4.340 -0.001 0.000 0.296 139 Q C -1.115 174.797 176.000 -0.146 0.000 0.893 139 Q CA -1.097 54.646 55.803 -0.101 0.000 0.772 139 Q CB 0.728 29.462 28.738 -0.006 0.000 1.489 139 Q HN 0.107 nan 8.270 nan 0.000 0.420 140 L N 1.694 122.984 121.223 0.112 0.000 2.319 140 L HA 0.407 4.746 4.340 -0.001 0.000 0.280 140 L C -0.194 176.712 176.870 0.061 0.000 1.099 140 L CA -0.576 54.343 54.840 0.132 0.000 0.828 140 L CB 0.278 42.431 42.059 0.157 0.000 1.150 140 L HN 0.567 nan 8.230 nan 0.000 0.442 141 I N 2.800 123.390 120.570 0.034 0.000 2.668 141 I HA -0.086 4.084 4.170 -0.001 0.000 0.285 141 I C 1.246 177.369 176.117 0.009 0.000 1.168 141 I CA 0.548 61.846 61.300 -0.004 0.000 1.424 141 I CB 0.986 38.870 38.000 -0.193 0.000 1.377 141 I HN 0.682 nan 8.210 nan 0.000 0.560 142 T N 3.529 118.103 114.554 0.033 0.000 2.959 142 T HA 0.077 4.427 4.350 -0.001 0.000 0.254 142 T C 1.157 175.861 174.700 0.006 0.000 1.003 142 T CA 0.182 62.292 62.100 0.017 0.000 0.950 142 T CB 0.178 69.060 68.868 0.024 0.000 1.090 142 T HN 0.599 nan 8.240 nan 0.000 0.503 143 E N 1.695 121.912 120.200 0.029 0.000 1.957 143 E HA -0.007 4.343 4.350 -0.001 0.000 0.214 143 E C 0.634 177.223 176.600 -0.019 0.000 0.922 143 E CA 0.854 57.267 56.400 0.021 0.000 0.977 143 E CB -0.044 29.695 29.700 0.066 0.000 0.841 143 E HN 0.262 nan 8.360 nan 0.000 0.583 144 E N 2.271 122.457 120.200 -0.023 0.000 1.842 144 E HA 0.037 4.386 4.350 -0.001 0.000 0.278 144 E C -0.439 176.099 176.600 -0.104 0.000 1.171 144 E CA 0.183 56.548 56.400 -0.058 0.000 1.127 144 E CB -0.204 29.472 29.700 -0.040 0.000 1.100 144 E HN 0.181 nan 8.360 nan 0.000 0.456 145 K N 0.992 121.321 120.400 -0.118 0.000 2.181 145 K HA 0.261 4.580 4.320 -0.001 0.000 0.239 145 K C 0.735 177.181 176.600 -0.256 0.000 1.073 145 K CA -0.133 56.060 56.287 -0.157 0.000 0.839 145 K CB 0.639 33.061 32.500 -0.130 0.000 1.116 145 K HN 0.356 nan 8.250 nan 0.000 0.518 146 I N 2.173 122.552 120.570 -0.318 0.000 2.418 146 I HA 0.261 4.430 4.170 -0.001 0.000 0.287 146 I C -2.263 173.541 176.117 -0.522 0.000 1.008 146 I CA -2.619 58.359 61.300 -0.537 0.000 1.104 146 I CB 1.692 39.301 38.000 -0.651 0.000 1.264 146 I HN 0.436 nan 8.210 nan 0.000 0.438 147 P HA -0.181 nan 4.420 nan 0.000 0.261 147 P C -0.397 176.640 177.300 -0.438 0.000 1.133 147 P CA 0.732 63.349 63.100 -0.805 0.000 0.756 147 P CB 0.140 30.881 31.700 -1.599 0.000 0.726 148 N N 2.694 121.231 118.700 -0.272 0.000 2.530 148 N HA -0.037 4.702 4.740 -0.001 0.000 0.216 148 N C 0.476 175.965 175.510 -0.036 0.000 1.315 148 N CA -0.118 52.848 53.050 -0.140 0.000 0.858 148 N CB -0.171 38.265 38.487 -0.085 0.000 1.138 148 N HN 0.339 nan 8.380 nan 0.000 0.473 149 N N -0.071 118.668 118.700 0.065 0.000 2.423 149 N HA -0.004 4.735 4.740 -0.001 0.000 0.262 149 N C -1.112 174.574 175.510 0.293 0.000 1.467 149 N CA 0.010 53.171 53.050 0.185 0.000 0.847 149 N CB 0.628 39.279 38.487 0.274 0.000 1.394 149 N HN -0.022 nan 8.380 nan 0.000 0.495 150 T N 0.975 115.673 114.554 0.240 0.000 2.933 150 T HA -0.007 4.343 4.350 -0.001 0.000 0.306 150 T C 1.583 176.391 174.700 0.180 0.000 1.045 150 T CA 0.679 62.939 62.100 0.267 0.000 1.143 150 T CB 1.158 70.090 68.868 0.106 0.000 1.003 150 T HN 0.207 nan 8.240 nan 0.000 0.540 151 Q N 1.204 121.094 119.800 0.150 0.000 2.376 151 Q HA 0.184 4.523 4.340 -0.001 0.000 0.206 151 Q C 0.168 176.211 176.000 0.071 0.000 0.921 151 Q CA 0.256 56.107 55.803 0.079 0.000 0.911 151 Q CB 0.876 29.609 28.738 -0.008 0.000 1.032 151 Q HN 0.739 nan 8.270 nan 0.000 0.510 152 W N -0.096 121.093 121.300 -0.186 0.000 3.464 152 W HA 0.531 5.191 4.660 -0.001 0.000 0.292 152 W C -2.364 174.043 176.519 -0.186 0.000 1.262 152 W CA -0.690 56.511 57.345 -0.240 0.000 1.202 152 W CB 1.083 30.336 29.460 -0.345 0.000 1.334 152 W HN -0.083 nan 8.180 nan 0.000 0.561 153 I N 3.659 123.430 120.570 -1.332 0.000 3.004 153 I HA 0.684 4.854 4.170 -0.001 0.000 0.305 153 I C -1.545 173.891 176.117 -1.135 0.000 1.312 153 I CA -0.126 60.571 61.300 -1.005 0.000 0.992 153 I CB 2.586 39.980 38.000 -1.011 0.000 1.282 153 I HN 0.381 nan 8.210 nan 0.000 0.449 154 T N 3.562 117.748 114.554 -0.613 0.000 3.003 154 T HA 0.352 4.701 4.350 -0.001 0.000 0.354 154 T C -1.783 172.810 174.700 -0.177 0.000 1.651 154 T CA -0.373 61.512 62.100 -0.359 0.000 1.103 154 T CB 0.469 69.314 68.868 -0.037 0.000 1.450 154 T HN 0.554 nan 8.240 nan 0.000 0.484 155 W N 2.607 123.873 121.300 -0.056 0.000 2.086 155 W HA 0.524 5.184 4.660 -0.000 0.000 0.355 155 W C 1.386 177.700 176.519 -0.341 0.000 1.313 155 W CA -0.353 56.901 57.345 -0.151 0.000 1.358 155 W CB 0.517 29.917 29.460 -0.099 0.000 1.166 155 W HN 0.826 nan 8.180 nan 0.000 0.630 156 S N -0.152 115.296 115.700 -0.421 0.000 2.640 156 S HA 0.093 4.563 4.470 -0.001 0.000 0.262 156 S C 0.570 175.019 174.600 -0.252 0.000 1.232 156 S CA -0.511 57.103 58.200 -0.977 0.000 0.988 156 S CB 0.659 63.162 63.200 -1.162 0.000 1.034 156 S HN 0.645 nan 8.310 nan 0.000 0.569 157 Q N -0.066 119.650 119.800 -0.140 0.000 2.389 157 Q HA -0.000 4.339 4.340 -0.001 0.000 0.204 157 Q C 0.842 176.819 176.000 -0.038 0.000 0.944 157 Q CA 0.878 56.681 55.803 0.000 0.000 0.908 157 Q CB 0.003 28.777 28.738 0.060 0.000 1.002 157 Q HN 0.683 nan 8.270 nan 0.000 0.493 158 E N -0.168 119.962 120.200 -0.117 0.000 2.430 158 E HA 0.114 4.464 4.350 -0.001 0.000 0.253 158 E C 1.252 177.784 176.600 -0.113 0.000 0.903 158 E CA 0.629 56.968 56.400 -0.102 0.000 1.082 158 E CB -0.890 28.739 29.700 -0.120 0.000 1.751 158 E HN 0.191 nan 8.360 nan 0.000 0.530 159 G N 0.722 109.416 108.800 -0.177 0.000 2.948 159 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.174 159 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.174 159 G C 0.162 174.988 174.900 -0.122 0.000 1.839 159 G CA 0.541 45.543 45.100 -0.164 0.000 0.908 159 G HN 0.511 nan 8.290 nan 0.000 0.419 160 H N -0.409 118.632 119.070 -0.049 0.000 2.651 160 H HA 0.444 4.999 4.556 -0.001 0.000 0.241 160 H C -0.230 175.228 175.328 0.216 0.000 1.225 160 H CA -0.466 55.600 56.048 0.030 0.000 0.942 160 H CB -0.243 29.512 29.762 -0.012 0.000 1.996 160 H HN 0.161 nan 8.280 nan 0.000 0.600 161 K N 1.604 121.950 120.400 -0.090 0.000 2.218 161 K HA 0.489 4.809 4.320 -0.001 0.000 0.276 161 K C -0.420 176.127 176.600 -0.088 0.000 1.022 161 K CA -0.390 55.778 56.287 -0.199 0.000 0.946 161 K CB 1.577 33.706 32.500 -0.618 0.000 1.000 161 K HN 0.163 nan 8.250 nan 0.000 0.468 162 L N 1.728 122.957 121.223 0.009 0.000 2.381 162 L HA 0.614 4.953 4.340 -0.001 0.000 0.268 162 L C -0.874 176.183 176.870 0.311 0.000 0.997 162 L CA -0.875 53.960 54.840 -0.007 0.000 0.818 162 L CB 2.098 44.005 42.059 -0.254 0.000 1.310 162 L HN 0.683 nan 8.230 nan 0.000 0.416 163 A N 2.942 125.968 122.820 0.343 0.000 2.359 163 A HA 0.795 5.114 4.320 -0.001 0.000 0.303 163 A C -1.613 176.020 177.584 0.081 0.000 1.066 163 A CA -0.380 51.788 52.037 0.219 0.000 0.730 163 A CB 1.184 20.262 19.000 0.130 0.000 1.211 163 A HN 0.652 nan 8.150 nan 0.000 0.439 164 Y N -0.215 120.047 120.300 -0.062 0.000 2.562 164 Y HA 0.751 5.300 4.550 -0.001 0.000 0.345 164 Y C -1.266 174.655 175.900 0.034 0.000 1.045 164 Y CA -1.505 56.524 58.100 -0.118 0.000 1.028 164 Y CB 1.102 39.414 38.460 -0.246 0.000 1.297 164 Y HN 0.387 nan 8.280 nan 0.000 0.463 165 V N 2.878 122.883 119.914 0.151 0.000 2.435 165 V HA 0.385 4.505 4.120 -0.001 0.000 0.290 165 V C -1.345 174.928 176.094 0.299 0.000 1.030 165 V CA -0.501 61.872 62.300 0.121 0.000 0.881 165 V CB 1.315 33.133 31.823 -0.008 0.000 0.983 165 V HN 0.881 nan 8.190 nan 0.000 0.445 166 W N 5.684 127.049 121.300 0.109 0.000 3.211 166 W HA 0.537 5.197 4.660 -0.001 0.000 0.335 166 W C 0.050 176.612 176.519 0.071 0.000 1.113 166 W CA -1.018 56.371 57.345 0.073 0.000 1.235 166 W CB 1.216 30.697 29.460 0.035 0.000 1.365 166 W HN 0.518 nan 8.180 nan 0.000 0.476 167 K N 5.131 125.086 120.400 -0.743 0.000 3.117 167 K HA -0.307 4.013 4.320 -0.001 0.000 0.269 167 K C 0.277 176.673 176.600 -0.340 0.000 1.098 167 K CA 1.469 57.334 56.287 -0.704 0.000 0.785 167 K CB -1.741 30.127 32.500 -1.054 0.000 1.242 167 K HN 0.923 nan 8.250 nan 0.000 0.491 168 N N -0.433 118.121 118.700 -0.243 0.000 2.828 168 N HA -0.168 4.572 4.740 -0.001 0.000 0.248 168 N C -0.716 174.705 175.510 -0.148 0.000 1.044 168 N CA 1.835 54.764 53.050 -0.202 0.000 0.851 168 N CB -0.354 37.960 38.487 -0.288 0.000 1.136 168 N HN 0.479 nan 8.380 nan 0.000 0.572 169 D N -0.112 120.234 120.400 -0.090 0.000 2.342 169 D HA 0.452 5.092 4.640 -0.001 0.000 0.243 169 D C 0.421 176.611 176.300 -0.183 0.000 1.019 169 D CA -0.456 53.445 54.000 -0.164 0.000 0.864 169 D CB 1.329 42.025 40.800 -0.173 0.000 1.315 169 D HN 0.010 nan 8.370 nan 0.000 0.468 170 I N 1.929 122.233 120.570 -0.443 0.000 2.428 170 I HA 0.206 4.375 4.170 -0.001 0.000 0.289 170 I C -0.608 175.104 176.117 -0.675 0.000 1.019 170 I CA -0.320 60.697 61.300 -0.472 0.000 1.351 170 I CB 0.465 38.094 38.000 -0.618 0.000 1.412 170 I HN 0.175 nan 8.210 nan 0.000 0.513 171 Y N 4.100 124.055 120.300 -0.575 0.000 2.545 171 Y HA 0.675 5.225 4.550 -0.001 0.000 0.348 171 Y C -0.273 175.350 175.900 -0.461 0.000 1.002 171 Y CA -0.897 56.847 58.100 -0.594 0.000 1.039 171 Y CB 2.047 39.911 38.460 -0.993 0.000 1.271 171 Y HN 0.119 nan 8.280 nan 0.000 0.467 172 V N 2.219 122.119 119.914 -0.023 0.000 2.789 172 V HA 0.505 4.625 4.120 -0.001 0.000 0.311 172 V C -1.060 175.164 176.094 0.216 0.000 1.073 172 V CA -1.454 60.914 62.300 0.114 0.000 0.921 172 V CB 2.310 34.202 31.823 0.115 0.000 1.009 172 V HN 0.604 nan 8.190 nan 0.000 0.426 173 K N 3.972 124.501 120.400 0.215 0.000 2.604 173 K HA 0.406 4.726 4.320 -0.001 0.000 0.247 173 K C 0.173 176.853 176.600 0.134 0.000 0.956 173 K CA -0.609 55.784 56.287 0.177 0.000 0.896 173 K CB 2.167 34.731 32.500 0.108 0.000 1.131 173 K HN 0.409 nan 8.250 nan 0.000 0.440 174 I N 1.602 122.252 120.570 0.133 0.000 2.315 174 I HA -0.284 3.886 4.170 -0.001 0.000 0.251 174 I C 0.812 176.952 176.117 0.039 0.000 1.125 174 I CA 1.607 62.942 61.300 0.059 0.000 1.392 174 I CB -0.209 37.816 38.000 0.042 0.000 1.065 174 I HN 0.691 nan 8.210 nan 0.000 0.424 175 E N -1.907 118.350 120.200 0.095 0.000 2.372 175 E HA 0.308 4.657 4.350 -0.001 0.000 0.279 175 E C -2.387 174.221 176.600 0.013 0.000 0.946 175 E CA -1.602 54.892 56.400 0.156 0.000 0.769 175 E CB 1.378 31.231 29.700 0.255 0.000 1.230 175 E HN -0.297 nan 8.360 nan 0.000 0.442 176 P HA -0.233 nan 4.420 nan 0.000 0.218 176 P C 0.553 177.677 177.300 -0.293 0.000 1.152 176 P CA 1.560 64.438 63.100 -0.369 0.000 0.857 176 P CB 0.027 31.198 31.700 -0.881 0.000 0.787 177 H N -1.953 117.079 119.070 -0.062 0.000 2.512 177 H HA 0.130 4.686 4.556 -0.001 0.000 0.279 177 H C 1.142 176.468 175.328 -0.004 0.000 0.999 177 H CA 0.353 56.394 56.048 -0.012 0.000 1.283 177 H CB -0.281 29.494 29.762 0.021 0.000 1.421 177 H HN 0.181 nan 8.280 nan 0.000 0.554 178 L N 2.602 123.890 121.223 0.108 0.000 2.466 178 L HA 0.169 4.509 4.340 -0.001 0.000 0.257 178 L C -1.790 175.107 176.870 0.045 0.000 1.189 178 L CA -1.823 53.068 54.840 0.086 0.000 0.813 178 L CB 0.326 42.452 42.059 0.112 0.000 1.118 178 L HN -0.018 nan 8.230 nan 0.000 0.471 179 P HA 0.095 nan 4.420 nan 0.000 0.277 179 P C -0.915 176.364 177.300 -0.035 0.000 1.240 179 P CA -0.452 62.630 63.100 -0.030 0.000 0.798 179 P CB 1.035 32.690 31.700 -0.074 0.000 0.979 180 S N 1.144 116.827 115.700 -0.029 0.000 2.564 180 S HA 0.142 4.612 4.470 -0.001 0.000 0.278 180 S C 0.138 174.688 174.600 -0.083 0.000 1.333 180 S CA -0.139 58.092 58.200 0.053 0.000 1.048 180 S CB -0.325 62.957 63.200 0.136 0.000 0.900 180 S HN 0.403 nan 8.310 nan 0.000 0.505 181 H N 2.472 121.596 119.070 0.089 0.000 2.595 181 H HA 0.220 4.776 4.556 -0.001 0.000 0.313 181 H C 0.210 175.509 175.328 -0.049 0.000 1.023 181 H CA -0.433 55.631 56.048 0.027 0.000 1.218 181 H CB 0.725 30.490 29.762 0.005 0.000 1.403 181 H HN 0.494 nan 8.280 nan 0.000 0.477 182 R N 4.001 124.482 120.500 -0.032 0.000 2.370 182 R HA 0.040 4.379 4.340 -0.001 0.000 0.309 182 R C 0.670 176.774 176.300 -0.326 0.000 1.059 182 R CA -0.232 55.645 56.100 -0.371 0.000 0.981 182 R CB 0.183 30.297 30.300 -0.311 0.000 0.972 182 R HN 0.526 nan 8.270 nan 0.000 0.437 183 I N 2.502 122.800 120.570 -0.454 0.000 2.585 183 I HA -0.044 4.126 4.170 -0.001 0.000 0.254 183 I C 1.226 177.118 176.117 -0.375 0.000 1.129 183 I CA 1.023 62.111 61.300 -0.354 0.000 1.455 183 I CB -0.768 36.990 38.000 -0.403 0.000 1.111 183 I HN 0.692 nan 8.210 nan 0.000 0.433 184 T N -1.928 112.341 114.554 -0.474 0.000 2.907 184 T HA 0.544 4.893 4.350 -0.001 0.000 0.290 184 T C 0.366 174.874 174.700 -0.319 0.000 1.066 184 T CA 0.106 61.979 62.100 -0.379 0.000 1.012 184 T CB 2.408 71.024 68.868 -0.420 0.000 1.184 184 T HN 0.117 nan 8.240 nan 0.000 0.522 185 S N -1.716 113.855 115.700 -0.215 0.000 2.760 185 S HA 0.076 4.545 4.470 -0.001 0.000 0.263 185 S C 1.571 176.107 174.600 -0.107 0.000 1.007 185 S CA 0.489 58.599 58.200 -0.150 0.000 1.358 185 S CB -0.634 62.498 63.200 -0.114 0.000 1.228 185 S HN 1.077 nan 8.310 nan 0.000 0.684 186 T N 0.347 114.837 114.554 -0.107 0.000 3.072 186 T HA 0.241 4.590 4.350 -0.001 0.000 0.266 186 T C 1.218 175.882 174.700 -0.060 0.000 1.127 186 T CA 0.635 62.696 62.100 -0.065 0.000 1.107 186 T CB -0.954 67.886 68.868 -0.047 0.000 0.910 186 T HN 0.632 nan 8.240 nan 0.000 0.513 187 G N 1.035 109.777 108.800 -0.096 0.000 2.368 187 G HA2 0.331 4.290 3.960 -0.001 0.000 0.233 187 G HA3 0.331 4.290 3.960 -0.001 0.000 0.233 187 G C -0.590 174.237 174.900 -0.122 0.000 1.267 187 G CA -0.383 44.646 45.100 -0.117 0.000 0.873 187 G HN 0.675 nan 8.290 nan 0.000 0.539 188 K N 1.417 121.723 120.400 -0.157 0.000 2.580 188 K HA 0.120 4.439 4.320 -0.001 0.000 0.258 188 K C -0.396 176.075 176.600 -0.215 0.000 0.936 188 K CA -0.675 55.526 56.287 -0.143 0.000 0.852 188 K CB 1.500 33.965 32.500 -0.058 0.000 1.329 188 K HN 0.675 nan 8.250 nan 0.000 0.430 189 E N 3.305 123.383 120.200 -0.202 0.000 2.529 189 E HA -0.117 4.233 4.350 -0.001 0.000 0.259 189 E C -0.325 176.207 176.600 -0.113 0.000 0.966 189 E CA 0.585 56.846 56.400 -0.231 0.000 0.937 189 E CB 0.222 29.823 29.700 -0.165 0.000 0.923 189 E HN 0.647 nan 8.360 nan 0.000 0.468 190 N N 2.010 120.619 118.700 -0.153 0.000 2.681 190 N HA -0.206 4.534 4.740 -0.001 0.000 0.250 190 N C -0.156 175.548 175.510 0.324 0.000 1.133 190 N CA 1.096 54.263 53.050 0.196 0.000 0.732 190 N CB -1.019 37.574 38.487 0.177 0.000 1.107 190 N HN 0.341 nan 8.380 nan 0.000 0.559 191 V N -1.767 118.256 119.914 0.183 0.000 3.629 191 V HA 0.267 4.386 4.120 -0.001 0.000 0.194 191 V C 0.356 176.632 176.094 0.302 0.000 1.343 191 V CA 0.255 62.705 62.300 0.249 0.000 1.292 191 V CB 0.651 32.560 31.823 0.142 0.000 1.287 191 V HN 0.019 nan 8.190 nan 0.000 0.554 192 I N 1.676 122.313 120.570 0.112 0.000 2.382 192 I HA 0.495 4.665 4.170 -0.001 0.000 0.286 192 I C -1.379 174.792 176.117 0.091 0.000 1.002 192 I CA -0.404 61.007 61.300 0.186 0.000 1.135 192 I CB 0.901 38.954 38.000 0.088 0.000 1.288 192 I HN 0.103 nan 8.210 nan 0.000 0.448 193 F N 5.015 125.064 119.950 0.165 0.000 2.411 193 F HA 0.430 4.957 4.527 -0.001 0.000 0.352 193 F C 0.579 176.462 175.800 0.139 0.000 1.123 193 F CA -0.690 57.412 58.000 0.171 0.000 1.044 193 F CB 1.011 40.187 39.000 0.292 0.000 1.135 193 F HN 0.316 nan 8.300 nan 0.000 0.461 194 N N 2.248 121.036 118.700 0.148 0.000 2.518 194 N HA 0.392 5.132 4.740 -0.001 0.000 0.254 194 N C 0.794 176.262 175.510 -0.071 0.000 0.979 194 N CA 0.147 53.208 53.050 0.018 0.000 0.930 194 N CB 1.776 40.172 38.487 -0.153 0.000 1.152 194 N HN 0.872 nan 8.380 nan 0.000 0.505 195 G N 1.547 110.333 108.800 -0.024 0.000 2.176 195 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.253 195 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.253 195 G C 0.084 174.854 174.900 -0.216 0.000 0.979 195 G CA 0.645 45.657 45.100 -0.147 0.000 0.641 195 G HN 0.642 nan 8.290 nan 0.000 0.530 196 I N -3.598 116.924 120.570 -0.080 0.000 2.994 196 I HA 0.636 4.805 4.170 -0.001 0.000 0.306 196 I C -0.730 175.465 176.117 0.130 0.000 1.195 196 I CA -1.591 59.584 61.300 -0.208 0.000 1.001 196 I CB 1.730 39.457 38.000 -0.455 0.000 1.244 196 I HN -0.129 nan 8.210 nan 0.000 0.437 197 N N 2.861 121.599 118.700 0.064 0.000 2.508 197 N HA 0.200 4.939 4.740 -0.001 0.000 0.285 197 N C -0.890 174.466 175.510 -0.256 0.000 1.144 197 N CA -0.342 52.585 53.050 -0.205 0.000 0.978 197 N CB 1.210 39.653 38.487 -0.075 0.000 1.180 197 N HN 0.773 nan 8.380 nan 0.000 0.484 198 D N -0.397 119.497 120.400 -0.843 0.000 2.398 198 D HA -0.067 4.573 4.640 -0.001 0.000 0.264 198 D C 1.102 177.284 176.300 -0.197 0.000 1.263 198 D CA -0.407 53.030 54.000 -0.939 0.000 1.037 198 D CB 0.547 40.705 40.800 -1.070 0.000 1.101 198 D HN 0.521 nan 8.370 nan 0.000 0.551 199 W N 0.179 121.379 121.300 -0.166 0.000 2.332 199 W HA -0.217 4.443 4.660 -0.001 0.000 0.321 199 W C 2.319 178.733 176.519 -0.176 0.000 1.219 199 W CA 2.374 59.637 57.345 -0.137 0.000 1.277 199 W CB -0.594 28.728 29.460 -0.229 0.000 1.161 199 W HN 0.195 nan 8.180 nan 0.000 0.476 200 V N 0.029 120.054 119.914 0.185 0.000 2.407 200 V HA -0.314 3.805 4.120 -0.001 0.000 0.248 200 V C 1.911 177.874 176.094 -0.220 0.000 1.055 200 V CA 2.125 64.417 62.300 -0.014 0.000 1.049 200 V CB -0.775 31.047 31.823 -0.001 0.000 0.662 200 V HN 0.327 nan 8.190 nan 0.000 0.455 201 Y N 0.470 120.618 120.300 -0.253 0.000 2.200 201 Y HA -0.147 4.403 4.550 -0.001 0.000 0.290 201 Y C 2.676 178.488 175.900 -0.147 0.000 1.137 201 Y CA 2.148 60.115 58.100 -0.222 0.000 1.163 201 Y CB -0.162 38.067 38.460 -0.385 0.000 0.988 201 Y HN 0.318 nan 8.280 nan 0.000 0.518 202 E N 0.345 120.521 120.200 -0.040 0.000 2.077 202 E HA -0.284 4.066 4.350 -0.001 0.000 0.193 202 E C 1.915 178.443 176.600 -0.121 0.000 0.989 202 E CA 1.632 58.012 56.400 -0.033 0.000 0.800 202 E CB 0.075 29.746 29.700 -0.049 0.000 0.746 202 E HN 0.427 nan 8.360 nan 0.000 0.452 203 E N 0.311 120.279 120.200 -0.387 0.000 2.033 203 E HA -0.125 4.224 4.350 -0.001 0.000 0.189 203 E C 1.752 178.212 176.600 -0.233 0.000 0.979 203 E CA 1.390 57.536 56.400 -0.424 0.000 0.802 203 E CB 0.109 29.200 29.700 -1.015 0.000 0.763 203 E HN 0.156 nan 8.360 nan 0.000 0.449 204 E N -0.403 119.645 120.200 -0.253 0.000 2.364 204 E HA 0.073 4.423 4.350 -0.001 0.000 0.196 204 E C 1.813 178.268 176.600 -0.242 0.000 0.990 204 E CA 0.235 56.529 56.400 -0.177 0.000 0.886 204 E CB 0.465 30.066 29.700 -0.167 0.000 0.866 204 E HN 0.330 nan 8.360 nan 0.000 0.493 205 I N -0.701 119.665 120.570 -0.339 0.000 2.962 205 I HA 0.039 4.209 4.170 -0.001 0.000 0.246 205 I C 2.034 177.917 176.117 -0.390 0.000 1.091 205 I CA 0.721 61.736 61.300 -0.475 0.000 1.469 205 I CB -1.125 36.420 38.000 -0.759 0.000 1.324 205 I HN -0.054 nan 8.210 nan 0.000 0.461 206 F N 1.157 121.105 119.950 -0.005 0.000 2.387 206 F HA 0.247 4.773 4.527 -0.001 0.000 0.294 206 F C 2.019 177.780 175.800 -0.065 0.000 1.093 206 F CA 1.015 59.030 58.000 0.025 0.000 1.420 206 F CB -0.134 38.928 39.000 0.102 0.000 1.086 206 F HN 0.328 nan 8.300 nan 0.000 0.531 207 G N 0.298 109.111 108.800 0.021 0.000 2.176 207 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.253 207 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.253 207 G C 0.083 174.616 174.900 -0.612 0.000 0.979 207 G CA -0.027 44.946 45.100 -0.212 0.000 0.641 207 G HN 0.756 nan 8.290 nan 0.000 0.530 208 A N -1.919 120.740 122.820 -0.269 0.000 2.564 208 A HA 0.747 5.067 4.320 -0.001 0.000 0.288 208 A C 0.249 177.788 177.584 -0.075 0.000 1.164 208 A CA 0.304 52.184 52.037 -0.261 0.000 0.712 208 A CB 0.358 19.220 19.000 -0.230 0.000 1.303 208 A HN 0.853 nan 8.150 nan 0.000 0.418 209 Y N 0.783 120.905 120.300 -0.296 0.000 2.337 209 Y HA 0.131 4.680 4.550 -0.001 0.000 0.293 209 Y C 1.617 177.167 175.900 -0.583 0.000 1.123 209 Y CA 0.980 58.887 58.100 -0.322 0.000 1.201 209 Y CB -0.236 38.065 38.460 -0.265 0.000 1.011 209 Y HN 0.569 nan 8.280 nan 0.000 0.545 210 S N 0.271 115.396 115.700 -0.959 0.000 2.560 210 S HA 0.401 4.871 4.470 -0.001 0.000 0.284 210 S C 0.417 174.487 174.600 -0.882 0.000 1.327 210 S CA 0.314 57.741 58.200 -1.290 0.000 1.055 210 S CB 0.411 62.655 63.200 -1.593 0.000 0.868 210 S HN 0.409 nan 8.310 nan 0.000 0.506 211 A N 5.364 127.663 122.820 -0.869 0.000 2.676 211 A HA 0.474 4.793 4.320 -0.001 0.000 0.258 211 A C -0.442 176.487 177.584 -1.092 0.000 0.898 211 A CA -0.464 51.021 52.037 -0.919 0.000 1.087 211 A CB 0.032 18.890 19.000 -0.238 0.000 1.214 211 A HN 0.678 nan 8.150 nan 0.000 0.474 212 L N -0.326 120.167 121.223 -1.218 0.000 2.333 212 L HA 0.681 5.020 4.340 -0.001 0.000 0.269 212 L C -0.961 175.350 176.870 -0.932 0.000 1.010 212 L CA -0.767 53.629 54.840 -0.740 0.000 0.818 212 L CB 1.882 43.745 42.059 -0.326 0.000 1.306 212 L HN 0.391 nan 8.230 nan 0.000 0.430 213 W N 1.367 122.706 121.300 0.065 0.000 2.822 213 W HA 0.193 4.852 4.660 -0.001 0.000 0.317 213 W C -1.431 175.299 176.519 0.351 0.000 1.033 213 W CA -1.047 56.466 57.345 0.280 0.000 1.252 213 W CB 1.143 30.820 29.460 0.361 0.000 1.186 213 W HN 0.488 nan 8.180 nan 0.000 0.383 214 W N 2.677 124.181 121.300 0.340 0.000 2.238 214 W HA 0.275 4.935 4.660 -0.000 0.000 0.321 214 W C 1.281 177.615 176.519 -0.307 0.000 1.293 214 W CA 0.417 57.815 57.345 0.088 0.000 1.204 214 W CB 0.932 30.419 29.460 0.044 0.000 1.167 214 W HN 0.157 nan 8.180 nan 0.000 0.553 215 S N 3.406 118.797 115.700 -0.514 0.000 2.632 215 S HA 0.504 4.973 4.470 -0.001 0.000 0.267 215 S C -2.436 171.893 174.600 -0.451 0.000 1.276 215 S CA -1.490 55.834 58.200 -1.459 0.000 0.998 215 S CB 1.071 63.317 63.200 -1.589 0.000 0.953 215 S HN 0.145 nan 8.310 nan 0.000 0.547 216 P HA 0.280 nan 4.420 nan 0.000 0.272 216 P C -0.123 177.126 177.300 -0.085 0.000 1.230 216 P CA -0.051 63.000 63.100 -0.082 0.000 0.788 216 P CB 0.112 31.815 31.700 0.006 0.000 0.949 217 N N 0.243 118.908 118.700 -0.058 0.000 2.778 217 N HA -0.185 4.554 4.740 -0.001 0.000 0.249 217 N C 0.866 176.317 175.510 -0.098 0.000 1.069 217 N CA 1.488 54.497 53.050 -0.067 0.000 0.831 217 N CB -2.084 36.378 38.487 -0.042 0.000 1.142 217 N HN 0.880 nan 8.380 nan 0.000 0.573 218 G N -0.673 108.073 108.800 -0.091 0.000 2.439 218 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.305 218 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.305 218 G C 1.141 176.057 174.900 0.027 0.000 0.966 218 G CA 1.703 46.795 45.100 -0.014 0.000 0.890 218 G HN 0.502 nan 8.290 nan 0.000 0.513 219 T N -0.713 113.759 114.554 -0.137 0.000 2.770 219 T HA 0.197 4.546 4.350 -0.001 0.000 0.263 219 T C 0.965 175.421 174.700 -0.406 0.000 1.039 219 T CA 1.133 63.011 62.100 -0.370 0.000 1.142 219 T CB -0.049 68.404 68.868 -0.691 0.000 0.868 219 T HN 0.336 nan 8.240 nan 0.000 0.435 220 F N 0.005 119.962 119.950 0.012 0.000 2.509 220 F HA 0.679 5.206 4.527 -0.001 0.000 0.334 220 F C -0.309 175.494 175.800 0.005 0.000 1.060 220 F CA -1.482 56.546 58.000 0.046 0.000 0.997 220 F CB 1.018 40.110 39.000 0.153 0.000 1.271 220 F HN -0.143 nan 8.300 nan 0.000 0.488 221 L N 1.731 123.068 121.223 0.190 0.000 2.491 221 L HA 0.753 5.093 4.340 -0.001 0.000 0.267 221 L C -0.866 176.070 176.870 0.112 0.000 0.971 221 L CA -0.587 54.187 54.840 -0.110 0.000 0.857 221 L CB 0.883 42.592 42.059 -0.583 0.000 1.226 221 L HN 0.676 nan 8.230 nan 0.000 0.408 222 A N 4.490 127.465 122.820 0.258 0.000 2.304 222 A HA 0.808 5.128 4.320 -0.001 0.000 0.301 222 A C -1.361 176.267 177.584 0.073 0.000 1.132 222 A CA -0.162 51.891 52.037 0.026 0.000 0.819 222 A CB 0.562 19.634 19.000 0.120 0.000 1.094 222 A HN 0.975 nan 8.150 nan 0.000 0.492 223 Y N -1.798 118.268 120.300 -0.389 0.000 2.624 223 Y HA 0.744 5.294 4.550 -0.001 0.000 0.334 223 Y C -0.386 175.320 175.900 -0.324 0.000 1.155 223 Y CA -0.906 57.063 58.100 -0.218 0.000 1.046 223 Y CB 0.815 39.146 38.460 -0.215 0.000 1.316 223 Y HN 0.935 nan 8.280 nan 0.000 0.457 224 A N 2.205 125.063 122.820 0.063 0.000 2.320 224 A HA 0.725 5.045 4.320 -0.001 0.000 0.334 224 A C -1.219 176.246 177.584 -0.199 0.000 1.147 224 A CA -0.846 51.099 52.037 -0.153 0.000 0.820 224 A CB 1.827 20.744 19.000 -0.138 0.000 1.218 224 A HN 0.827 nan 8.150 nan 0.000 0.482 225 Q N 0.864 120.425 119.800 -0.399 0.000 2.304 225 Q HA 0.622 4.961 4.340 -0.001 0.000 0.270 225 Q C -2.147 173.588 176.000 -0.442 0.000 1.035 225 Q CA -0.368 55.327 55.803 -0.180 0.000 0.781 225 Q CB 1.231 30.108 28.738 0.231 0.000 1.261 225 Q HN 0.605 nan 8.270 nan 0.000 0.444 226 F N 2.137 122.172 119.950 0.143 0.000 2.495 226 F HA 0.428 4.955 4.527 -0.001 0.000 0.327 226 F C 0.311 176.230 175.800 0.197 0.000 1.103 226 F CA -0.984 57.062 58.000 0.077 0.000 0.949 226 F CB 1.491 40.424 39.000 -0.112 0.000 1.142 226 F HN 0.417 nan 8.300 nan 0.000 0.457 227 N N 1.921 120.810 118.700 0.316 0.000 2.444 227 N HA 0.168 4.907 4.740 -0.001 0.000 0.262 227 N C -0.465 175.198 175.510 0.256 0.000 0.974 227 N CA -0.165 53.045 53.050 0.267 0.000 0.933 227 N CB 1.118 39.712 38.487 0.178 0.000 1.137 227 N HN 0.581 nan 8.380 nan 0.000 0.498 228 D N 1.705 122.282 120.400 0.296 0.000 2.340 228 D HA 0.090 4.730 4.640 -0.001 0.000 0.217 228 D C 1.216 177.638 176.300 0.205 0.000 1.081 228 D CA 0.238 54.388 54.000 0.251 0.000 0.842 228 D CB 0.472 41.477 40.800 0.341 0.000 0.934 228 D HN 0.508 nan 8.370 nan 0.000 0.511 229 T N -0.503 114.159 114.554 0.179 0.000 2.531 229 T HA -0.212 4.137 4.350 -0.001 0.000 0.261 229 T C 1.825 176.590 174.700 0.109 0.000 1.141 229 T CA 1.984 64.165 62.100 0.136 0.000 1.176 229 T CB -0.469 68.465 68.868 0.109 0.000 0.863 229 T HN 0.340 nan 8.240 nan 0.000 0.424 230 G N 0.608 109.463 108.800 0.093 0.000 2.744 230 G HA2 0.170 4.129 3.960 -0.001 0.000 0.211 230 G HA3 0.170 4.129 3.960 -0.001 0.000 0.211 230 G C 0.454 175.401 174.900 0.078 0.000 1.143 230 G CA -0.096 45.047 45.100 0.072 0.000 0.788 230 G HN 0.456 nan 8.290 nan 0.000 0.534 231 V N 2.298 122.272 119.914 0.101 0.000 2.529 231 V HA 0.126 4.246 4.120 -0.001 0.000 0.292 231 V C -1.546 174.612 176.094 0.107 0.000 1.028 231 V CA -1.257 61.105 62.300 0.105 0.000 1.074 231 V CB 1.187 33.085 31.823 0.125 0.000 0.958 231 V HN 0.097 nan 8.190 nan 0.000 0.481 232 P HA 0.246 nan 4.420 nan 0.000 0.271 232 P C -0.639 176.717 177.300 0.093 0.000 1.244 232 P CA -0.191 62.955 63.100 0.077 0.000 0.793 232 P CB 0.517 32.257 31.700 0.066 0.000 0.984 233 L N 0.895 122.155 121.223 0.061 0.000 2.330 233 L HA 0.602 4.942 4.340 -0.001 0.000 0.271 233 L C 0.002 176.853 176.870 -0.031 0.000 1.013 233 L CA -1.102 53.776 54.840 0.065 0.000 0.816 233 L CB 1.254 43.373 42.059 0.100 0.000 1.287 233 L HN 0.269 nan 8.230 nan 0.000 0.435 234 I N -1.280 119.230 120.570 -0.100 0.000 2.474 234 I HA 0.509 4.678 4.170 -0.001 0.000 0.294 234 I C -0.701 175.307 176.117 -0.181 0.000 1.005 234 I CA -0.288 60.843 61.300 -0.282 0.000 1.113 234 I CB 1.859 39.426 38.000 -0.722 0.000 1.289 234 I HN 0.487 nan 8.210 nan 0.000 0.436 235 E N 5.471 125.578 120.200 -0.156 0.000 2.580 235 E HA 0.235 4.584 4.350 -0.001 0.000 0.248 235 E C -1.644 174.900 176.600 -0.094 0.000 1.018 235 E CA -0.656 55.675 56.400 -0.115 0.000 0.775 235 E CB 1.302 30.976 29.700 -0.043 0.000 1.378 235 E HN 0.682 nan 8.360 nan 0.000 0.401 236 Y N -0.238 120.018 120.300 -0.073 0.000 2.316 236 Y HA 0.582 5.131 4.550 -0.001 0.000 0.324 236 Y C 0.179 176.049 175.900 -0.050 0.000 1.267 236 Y CA -0.913 57.144 58.100 -0.071 0.000 1.311 236 Y CB 0.736 39.167 38.460 -0.049 0.000 1.267 236 Y HN -0.012 nan 8.280 nan 0.000 0.516 237 S N 2.015 117.800 115.700 0.141 0.000 2.616 237 S HA 0.494 4.963 4.470 -0.001 0.000 0.277 237 S C -1.511 173.044 174.600 -0.076 0.000 1.234 237 S CA -0.515 57.636 58.200 -0.081 0.000 1.028 237 S CB 0.365 63.381 63.200 -0.306 0.000 0.988 237 S HN 0.569 nan 8.310 nan 0.000 0.522 238 F N 2.059 121.794 119.950 -0.358 0.000 2.518 238 F HA 0.456 4.983 4.527 -0.001 0.000 0.323 238 F C -0.429 175.122 175.800 -0.416 0.000 1.129 238 F CA -0.797 57.053 58.000 -0.250 0.000 0.920 238 F CB 0.871 39.877 39.000 0.010 0.000 1.160 238 F HN 0.675 nan 8.300 nan 0.000 0.440 239 Y N 2.647 122.671 120.300 -0.461 0.000 2.389 239 Y HA 0.163 4.713 4.550 -0.001 0.000 0.292 239 Y C 1.662 177.432 175.900 -0.217 0.000 1.117 239 Y CA 0.968 58.916 58.100 -0.255 0.000 1.195 239 Y CB -0.630 37.697 38.460 -0.222 0.000 1.076 239 Y HN 0.713 nan 8.280 nan 0.000 0.548 240 S N 0.033 115.518 115.700 -0.359 0.000 3.460 240 S HA -0.223 4.246 4.470 -0.001 0.000 0.637 240 S C -0.591 174.039 174.600 0.050 0.000 2.505 240 S CA 0.131 58.327 58.200 -0.007 0.000 2.686 240 S CB -1.130 62.245 63.200 0.293 0.000 0.330 240 S HN 0.486 nan 8.310 nan 0.000 1.795 241 D N 2.056 122.515 120.400 0.098 0.000 2.515 241 D HA 0.034 4.674 4.640 -0.001 0.000 0.232 241 D C 1.513 177.849 176.300 0.059 0.000 1.157 241 D CA 0.901 54.944 54.000 0.073 0.000 0.871 241 D CB 0.136 40.984 40.800 0.079 0.000 1.200 241 D HN 0.730 nan 8.370 nan 0.000 0.466 242 E N -0.209 120.015 120.200 0.039 0.000 2.510 242 E HA -0.154 4.196 4.350 -0.001 0.000 0.202 242 E C 1.021 177.640 176.600 0.032 0.000 1.072 242 E CA 0.706 57.122 56.400 0.028 0.000 0.883 242 E CB -0.060 29.647 29.700 0.012 0.000 0.818 242 E HN 0.325 nan 8.360 nan 0.000 0.548 243 S N 0.487 116.214 115.700 0.044 0.000 2.470 243 S HA -0.016 4.453 4.470 -0.001 0.000 0.225 243 S C 0.887 175.523 174.600 0.059 0.000 1.006 243 S CA -0.344 57.883 58.200 0.046 0.000 0.934 243 S CB -0.233 62.996 63.200 0.048 0.000 0.778 243 S HN 0.274 nan 8.310 nan 0.000 0.517 244 L N 2.927 124.195 121.223 0.076 0.000 2.500 244 L HA 0.215 4.554 4.340 -0.001 0.000 0.272 244 L C 1.463 178.384 176.870 0.085 0.000 1.149 244 L CA 0.236 55.135 54.840 0.099 0.000 0.897 244 L CB 0.470 42.603 42.059 0.123 0.000 1.178 244 L HN 0.290 nan 8.230 nan 0.000 0.473 245 Q N 3.940 123.799 119.800 0.098 0.000 2.123 245 Q HA -0.077 4.262 4.340 -0.001 0.000 0.199 245 Q C -0.578 175.388 176.000 -0.057 0.000 0.966 245 Q CA 1.233 57.049 55.803 0.022 0.000 0.845 245 Q CB 0.164 28.941 28.738 0.066 0.000 0.907 245 Q HN 0.680 nan 8.270 nan 0.000 0.439 246 Y N 1.467 121.792 120.300 0.041 0.000 2.328 246 Y HA 0.378 4.928 4.550 -0.001 0.000 0.333 246 Y C -2.085 173.838 175.900 0.038 0.000 0.958 246 Y CA -3.044 55.078 58.100 0.036 0.000 1.167 246 Y CB 1.300 39.774 38.460 0.023 0.000 1.151 246 Y HN 0.160 nan 8.280 nan 0.000 0.470 247 P HA -0.010 nan 4.420 nan 0.000 0.266 247 P C -0.434 176.894 177.300 0.046 0.000 1.195 247 P CA -0.094 63.035 63.100 0.048 0.000 0.768 247 P CB 1.102 32.758 31.700 -0.073 0.000 0.838 248 K N 1.562 121.998 120.400 0.060 0.000 2.140 248 K HA 0.411 4.731 4.320 -0.001 0.000 0.237 248 K C 0.313 176.925 176.600 0.020 0.000 1.045 248 K CA -0.040 56.290 56.287 0.071 0.000 0.896 248 K CB 0.134 32.704 32.500 0.117 0.000 1.122 248 K HN 0.390 nan 8.250 nan 0.000 0.503 249 T N 0.485 115.051 114.554 0.020 0.000 2.928 249 T HA 0.309 4.659 4.350 -0.001 0.000 0.296 249 T C -0.871 173.816 174.700 -0.022 0.000 1.000 249 T CA -0.658 61.433 62.100 -0.015 0.000 0.989 249 T CB 1.521 70.394 68.868 0.009 0.000 1.005 249 T HN 0.154 nan 8.240 nan 0.000 0.442 250 V N 5.144 124.914 119.914 -0.240 0.000 2.398 250 V HA 0.610 4.730 4.120 -0.001 0.000 0.286 250 V C -0.412 175.519 176.094 -0.272 0.000 1.026 250 V CA -0.898 61.183 62.300 -0.366 0.000 0.868 250 V CB 0.997 32.373 31.823 -0.744 0.000 0.982 250 V HN 0.804 nan 8.190 nan 0.000 0.443 251 W N 4.821 125.997 121.300 -0.207 0.000 2.627 251 W HA 0.890 5.549 4.660 -0.001 0.000 0.339 251 W C -1.248 175.241 176.519 -0.049 0.000 1.058 251 W CA -1.741 55.515 57.345 -0.147 0.000 1.223 251 W CB 1.091 30.497 29.460 -0.089 0.000 1.389 251 W HN 0.343 nan 8.180 nan 0.000 0.541 252 I N 3.411 124.043 120.570 0.103 0.000 2.610 252 I HA 0.198 4.367 4.170 -0.001 0.000 0.289 252 I C -2.350 173.844 176.117 0.129 0.000 1.163 252 I CA -2.303 59.034 61.300 0.062 0.000 1.044 252 I CB 3.090 41.017 38.000 -0.122 0.000 1.251 252 I HN -0.023 nan 8.210 nan 0.000 0.424 253 P HA 0.039 nan 4.420 nan 0.000 0.274 253 P C -1.430 175.963 177.300 0.156 0.000 1.291 253 P CA 0.291 63.515 63.100 0.207 0.000 0.815 253 P CB -0.035 31.822 31.700 0.260 0.000 0.897 254 Y N 7.036 127.309 120.300 -0.046 0.000 2.326 254 Y HA 0.411 4.960 4.550 -0.001 0.000 0.329 254 Y C -2.393 173.487 175.900 -0.032 0.000 0.973 254 Y CA -2.745 55.280 58.100 -0.125 0.000 1.162 254 Y CB 2.381 40.667 38.460 -0.289 0.000 1.147 254 Y HN 0.250 nan 8.280 nan 0.000 0.456 255 P HA 0.241 nan 4.420 nan 0.000 0.295 255 P C -1.241 176.092 177.300 0.054 0.000 1.354 255 P CA -0.371 62.754 63.100 0.041 0.000 0.814 255 P CB 1.429 33.141 31.700 0.021 0.000 0.935 256 K N 1.995 122.529 120.400 0.223 0.000 2.120 256 K HA 0.480 4.800 4.320 -0.001 0.000 0.245 256 K C 0.645 177.357 176.600 0.186 0.000 1.024 256 K CA -0.665 55.784 56.287 0.271 0.000 0.906 256 K CB 0.469 33.156 32.500 0.312 0.000 1.051 256 K HN 0.449 nan 8.250 nan 0.000 0.491 257 A N 0.770 123.732 122.820 0.236 0.000 2.591 257 A HA 0.229 4.549 4.320 -0.001 0.000 0.244 257 A C 1.293 178.926 177.584 0.082 0.000 1.031 257 A CA 1.071 53.228 52.037 0.201 0.000 0.767 257 A CB -1.247 17.955 19.000 0.338 0.000 0.942 257 A HN 0.911 nan 8.150 nan 0.000 0.514 258 G N 1.179 110.012 108.800 0.054 0.000 2.284 258 G HA2 0.063 4.022 3.960 -0.001 0.000 0.261 258 G HA3 0.063 4.022 3.960 -0.001 0.000 0.261 258 G C 0.808 175.722 174.900 0.023 0.000 0.997 258 G CA 0.902 46.007 45.100 0.008 0.000 0.621 258 G HN 2.296 nan 8.290 nan 0.000 0.534 259 A N -0.145 122.705 122.820 0.049 0.000 2.366 259 A HA 0.632 4.952 4.320 -0.001 0.000 0.250 259 A C 0.939 178.548 177.584 0.041 0.000 1.099 259 A CA 0.481 52.548 52.037 0.050 0.000 0.794 259 A CB 0.585 19.631 19.000 0.077 0.000 1.056 259 A HN 1.207 nan 8.150 nan 0.000 0.499 260 V N 2.663 122.600 119.914 0.039 0.000 2.529 260 V HA 0.017 4.136 4.120 -0.001 0.000 0.292 260 V C 0.363 176.482 176.094 0.042 0.000 1.028 260 V CA 0.050 62.369 62.300 0.032 0.000 1.074 260 V CB 0.043 31.888 31.823 0.036 0.000 0.958 260 V HN 0.869 nan 8.190 nan 0.000 0.481 261 N N 6.800 125.514 118.700 0.024 0.000 2.458 261 N HA 0.506 5.245 4.740 -0.001 0.000 0.271 261 N C -2.319 173.235 175.510 0.073 0.000 1.210 261 N CA -1.319 51.757 53.050 0.043 0.000 0.978 261 N CB 1.081 39.563 38.487 -0.008 0.000 1.206 261 N HN 0.392 nan 8.380 nan 0.000 0.536 262 P HA 0.121 nan 4.420 nan 0.000 0.274 262 P C -0.509 176.896 177.300 0.176 0.000 1.256 262 P CA -0.093 63.114 63.100 0.179 0.000 0.795 262 P CB 0.368 32.202 31.700 0.222 0.000 1.038 263 T N -2.625 112.035 114.554 0.175 0.000 2.932 263 T HA 0.635 4.985 4.350 -0.001 0.000 0.289 263 T C -0.047 174.738 174.700 0.141 0.000 1.039 263 T CA -0.695 61.470 62.100 0.109 0.000 1.024 263 T CB 1.017 69.925 68.868 0.067 0.000 1.090 263 T HN 0.212 nan 8.240 nan 0.000 0.496 264 V N 0.394 120.354 119.914 0.076 0.000 3.103 264 V HA 0.804 4.923 4.120 -0.001 0.000 0.318 264 V C -0.322 175.769 176.094 -0.006 0.000 1.114 264 V CA -1.161 61.135 62.300 -0.007 0.000 1.020 264 V CB 1.777 33.670 31.823 0.117 0.000 1.085 264 V HN 1.017 nan 8.190 nan 0.000 0.446 265 K N 0.796 121.125 120.400 -0.119 0.000 2.569 265 K HA 0.499 4.819 4.320 -0.001 0.000 0.259 265 K C -2.164 174.202 176.600 -0.390 0.000 0.932 265 K CA -0.444 55.705 56.287 -0.229 0.000 0.833 265 K CB 2.644 34.997 32.500 -0.245 0.000 1.340 265 K HN 0.564 nan 8.250 nan 0.000 0.429 266 F N 3.445 122.999 119.950 -0.659 0.000 2.482 266 F HA 0.592 5.119 4.527 -0.001 0.000 0.331 266 F C -1.316 173.883 175.800 -1.002 0.000 1.115 266 F CA -0.496 57.118 58.000 -0.642 0.000 0.955 266 F CB 0.749 39.575 39.000 -0.290 0.000 1.136 266 F HN 0.379 nan 8.300 nan 0.000 0.452 267 F N 5.352 124.615 119.950 -1.145 0.000 2.611 267 F HA 0.711 5.237 4.527 -0.001 0.000 0.324 267 F C -0.679 174.469 175.800 -1.086 0.000 1.061 267 F CA -1.034 56.357 58.000 -1.016 0.000 0.954 267 F CB 2.019 40.279 39.000 -1.234 0.000 1.301 267 F HN 0.092 nan 8.300 nan 0.000 0.482 268 I N 2.432 122.787 120.570 -0.359 0.000 2.529 268 I HA 0.307 4.477 4.170 -0.001 0.000 0.284 268 I C -1.408 174.765 176.117 0.092 0.000 1.088 268 I CA -0.691 60.482 61.300 -0.211 0.000 1.062 268 I CB 1.958 39.681 38.000 -0.463 0.000 1.218 268 I HN 0.274 nan 8.210 nan 0.000 0.442 269 V N 6.468 126.493 119.914 0.186 0.000 2.532 269 V HA 0.412 4.532 4.120 -0.001 0.000 0.295 269 V C -0.101 176.161 176.094 0.281 0.000 1.041 269 V CA -0.443 61.991 62.300 0.223 0.000 0.926 269 V CB 1.981 33.904 31.823 0.166 0.000 0.992 269 V HN 0.760 nan 8.190 nan 0.000 0.457 270 N N 4.205 123.069 118.700 0.273 0.000 2.402 270 N HA 0.102 4.841 4.740 -0.001 0.000 0.252 270 N C 0.950 176.479 175.510 0.033 0.000 1.118 270 N CA 0.486 53.642 53.050 0.177 0.000 0.945 270 N CB 1.478 40.060 38.487 0.159 0.000 1.147 270 N HN 0.799 nan 8.380 nan 0.000 0.495 271 T N 2.255 116.808 114.554 -0.001 0.000 2.759 271 T HA -0.116 4.233 4.350 -0.001 0.000 0.269 271 T C 0.714 175.387 174.700 -0.045 0.000 1.042 271 T CA 1.130 63.236 62.100 0.011 0.000 1.140 271 T CB 0.040 68.998 68.868 0.149 0.000 0.864 271 T HN 0.544 nan 8.240 nan 0.000 0.455 272 D N 1.244 121.592 120.400 -0.086 0.000 2.218 272 D HA -0.067 4.572 4.640 -0.001 0.000 0.204 272 D C 2.425 178.682 176.300 -0.072 0.000 0.976 272 D CA 1.288 55.236 54.000 -0.087 0.000 0.853 272 D CB -0.337 40.398 40.800 -0.109 0.000 0.939 272 D HN 0.542 nan 8.370 nan 0.000 0.481 273 S N 0.501 116.167 115.700 -0.057 0.000 2.414 273 S HA -0.036 4.433 4.470 -0.001 0.000 0.227 273 S C 2.256 176.809 174.600 -0.078 0.000 1.022 273 S CA 0.032 58.207 58.200 -0.042 0.000 0.958 273 S CB -0.613 62.584 63.200 -0.006 0.000 0.797 273 S HN 0.221 nan 8.310 nan 0.000 0.493 274 L N 2.448 123.586 121.223 -0.143 0.000 2.095 274 L HA -0.300 4.039 4.340 -0.001 0.000 0.229 274 L C 3.006 179.711 176.870 -0.275 0.000 1.097 274 L CA 2.070 56.734 54.840 -0.295 0.000 0.813 274 L CB -1.712 39.991 42.059 -0.593 0.000 0.907 274 L HN 0.636 nan 8.230 nan 0.000 0.445 275 S N -1.036 114.540 115.700 -0.207 0.000 2.442 275 S HA -0.119 4.350 4.470 -0.001 0.000 0.236 275 S C 1.589 176.202 174.600 0.021 0.000 1.007 275 S CA 1.070 59.245 58.200 -0.043 0.000 0.965 275 S CB -0.423 62.765 63.200 -0.021 0.000 0.773 275 S HN 0.598 nan 8.310 nan 0.000 0.504 276 S N 0.038 115.738 115.700 -0.000 0.000 2.601 276 S HA 0.441 4.910 4.470 -0.001 0.000 0.244 276 S C 0.046 174.660 174.600 0.024 0.000 1.001 276 S CA -0.511 57.699 58.200 0.017 0.000 0.984 276 S CB 0.034 63.239 63.200 0.009 0.000 0.842 276 S HN 0.436 nan 8.310 nan 0.000 0.474 277 T N 0.308 114.883 114.554 0.036 0.000 2.821 277 T HA 0.410 4.760 4.350 -0.001 0.000 0.306 277 T C 0.904 175.644 174.700 0.067 0.000 1.313 277 T CA -0.253 61.871 62.100 0.040 0.000 1.012 277 T CB 1.450 70.335 68.868 0.027 0.000 1.298 277 T HN 0.167 nan 8.240 nan 0.000 0.502 278 T N -1.682 112.903 114.554 0.051 0.000 3.035 278 T HA 0.254 4.603 4.350 -0.001 0.000 0.259 278 T C 0.600 175.330 174.700 0.050 0.000 1.078 278 T CA 0.415 62.546 62.100 0.053 0.000 1.132 278 T CB 0.006 68.891 68.868 0.029 0.000 0.900 278 T HN 0.651 nan 8.240 nan 0.000 0.480 279 T N 1.176 115.749 114.554 0.032 0.000 2.916 279 T HA 0.579 4.928 4.350 -0.001 0.000 0.305 279 T C -1.085 173.621 174.700 0.010 0.000 1.119 279 T CA -0.680 61.427 62.100 0.013 0.000 1.008 279 T CB 2.222 71.086 68.868 -0.006 0.000 1.129 279 T HN 0.079 nan 8.240 nan 0.000 0.480 280 T N 1.774 116.327 114.554 -0.002 0.000 2.912 280 T HA 0.641 4.990 4.350 -0.001 0.000 0.288 280 T C -0.274 174.430 174.700 0.007 0.000 1.030 280 T CA -0.626 61.480 62.100 0.010 0.000 1.020 280 T CB 0.816 69.690 68.868 0.011 0.000 1.056 280 T HN 0.446 nan 8.240 nan 0.000 0.480 281 I N 4.520 125.109 120.570 0.032 0.000 2.337 281 I HA 0.269 4.438 4.170 -0.001 0.000 0.285 281 I C -1.814 174.342 176.117 0.066 0.000 1.041 281 I CA -2.152 59.165 61.300 0.030 0.000 1.199 281 I CB 1.330 39.354 38.000 0.040 0.000 1.370 281 I HN 0.364 nan 8.210 nan 0.000 0.470 282 P HA 0.100 nan 4.420 nan 0.000 0.269 282 P C -0.863 176.530 177.300 0.154 0.000 1.209 282 P CA -0.117 63.038 63.100 0.091 0.000 0.776 282 P CB 0.722 32.433 31.700 0.017 0.000 0.876 283 M N 0.991 120.728 119.600 0.230 0.000 2.318 283 M HA 0.431 4.910 4.480 -0.001 0.000 0.347 283 M C 0.191 176.653 176.300 0.270 0.000 1.175 283 M CA -0.800 54.664 55.300 0.274 0.000 1.075 283 M CB 1.393 34.220 32.600 0.378 0.000 1.614 283 M HN 0.338 nan 8.290 nan 0.000 0.456 284 Q N 2.723 122.672 119.800 0.248 0.000 2.245 284 Q HA 0.682 5.022 4.340 -0.001 0.000 0.256 284 Q C -1.769 174.227 176.000 -0.007 0.000 0.942 284 Q CA -0.570 55.254 55.803 0.035 0.000 0.896 284 Q CB 1.700 30.451 28.738 0.022 0.000 1.272 284 Q HN 0.860 nan 8.270 nan 0.000 0.442 285 I N 2.920 123.451 120.570 -0.066 0.000 2.412 285 I HA 0.341 4.511 4.170 -0.001 0.000 0.296 285 I C -0.336 175.750 176.117 -0.052 0.000 0.987 285 I CA -0.896 60.409 61.300 0.008 0.000 1.180 285 I CB 2.051 40.090 38.000 0.064 0.000 1.340 285 I HN 0.738 nan 8.210 nan 0.000 0.455 286 T N 2.653 117.147 114.554 -0.100 0.000 2.779 286 T HA 0.697 5.046 4.350 -0.001 0.000 0.280 286 T C 0.074 174.538 174.700 -0.394 0.000 0.987 286 T CA -0.845 61.131 62.100 -0.207 0.000 0.966 286 T CB 1.540 70.311 68.868 -0.162 0.000 0.933 286 T HN 0.699 nan 8.240 nan 0.000 0.442 287 A N 5.408 127.755 122.820 -0.788 0.000 2.615 287 A HA 0.374 4.693 4.320 -0.001 0.000 0.230 287 A C -1.636 175.461 177.584 -0.813 0.000 1.062 287 A CA -0.813 50.340 52.037 -1.473 0.000 0.758 287 A CB -0.757 16.977 19.000 -2.109 0.000 0.995 287 A HN 0.781 nan 8.150 nan 0.000 0.511 288 P HA 0.139 nan 4.420 nan 0.000 0.268 288 P C 0.875 177.983 177.300 -0.321 0.000 1.205 288 P CA 0.647 63.529 63.100 -0.364 0.000 0.771 288 P CB 0.771 32.338 31.700 -0.222 0.000 0.858 289 A N 3.999 126.687 122.820 -0.221 0.000 1.915 289 A HA -0.254 4.066 4.320 -0.001 0.000 0.220 289 A C 2.041 179.517 177.584 -0.181 0.000 1.198 289 A CA 2.706 54.630 52.037 -0.189 0.000 0.647 289 A CB -1.881 17.042 19.000 -0.130 0.000 0.825 289 A HN 0.679 nan 8.150 nan 0.000 0.456 290 S N -1.356 114.267 115.700 -0.128 0.000 2.711 290 S HA 0.150 4.619 4.470 -0.001 0.000 0.237 290 S C 0.925 175.432 174.600 -0.155 0.000 0.971 290 S CA 0.996 59.120 58.200 -0.126 0.000 0.964 290 S CB -0.047 63.150 63.200 -0.005 0.000 0.775 290 S HN 0.360 nan 8.310 nan 0.000 0.540 291 V N -0.029 119.758 119.914 -0.213 0.000 3.368 291 V HA 0.043 4.162 4.120 -0.001 0.000 0.255 291 V C 1.933 177.728 176.094 -0.498 0.000 1.466 291 V CA 0.893 63.032 62.300 -0.269 0.000 1.095 291 V CB -0.132 31.530 31.823 -0.267 0.000 0.899 291 V HN 0.488 nan 8.190 nan 0.000 0.440 292 T N 0.335 114.594 114.554 -0.491 0.000 3.072 292 T HA -0.113 4.237 4.350 -0.001 0.000 0.266 292 T C 1.806 176.380 174.700 -0.210 0.000 1.127 292 T CA 1.623 63.459 62.100 -0.440 0.000 1.107 292 T CB -0.223 68.447 68.868 -0.330 0.000 0.910 292 T HN 0.504 nan 8.240 nan 0.000 0.513 293 T N 0.746 115.198 114.554 -0.171 0.000 2.788 293 T HA 0.172 4.521 4.350 -0.001 0.000 0.268 293 T C 1.223 175.890 174.700 -0.055 0.000 1.044 293 T CA 1.085 63.123 62.100 -0.103 0.000 1.139 293 T CB -0.145 68.659 68.868 -0.107 0.000 0.867 293 T HN 0.588 nan 8.240 nan 0.000 0.454 294 G N 0.016 108.798 108.800 -0.030 0.000 2.870 294 G HA2 0.475 4.434 3.960 -0.001 0.000 0.299 294 G HA3 0.475 4.434 3.960 -0.001 0.000 0.299 294 G C -1.855 173.109 174.900 0.107 0.000 1.324 294 G CA -0.823 44.287 45.100 0.016 0.000 0.808 294 G HN -0.003 nan 8.290 nan 0.000 0.535 295 D N 1.359 121.781 120.400 0.037 0.000 2.601 295 D HA 0.254 4.893 4.640 -0.001 0.000 0.229 295 D C 0.276 176.571 176.300 -0.010 0.000 1.140 295 D CA 1.177 55.152 54.000 -0.042 0.000 0.862 295 D CB 0.212 40.936 40.800 -0.127 0.000 1.192 295 D HN 0.595 nan 8.370 nan 0.000 0.480 296 H N -0.945 117.977 119.070 -0.246 0.000 2.950 296 H HA 0.379 4.935 4.556 -0.001 0.000 0.307 296 H C -1.496 173.723 175.328 -0.181 0.000 1.403 296 H CA -0.809 55.132 56.048 -0.180 0.000 1.145 296 H CB 0.231 30.005 29.762 0.020 0.000 1.844 296 H HN 0.326 nan 8.280 nan 0.000 0.515 297 Y N 0.011 120.471 120.300 0.267 0.000 2.605 297 Y HA 0.463 5.012 4.550 -0.001 0.000 0.343 297 Y C -0.356 175.779 175.900 0.391 0.000 1.036 297 Y CA -1.300 56.967 58.100 0.278 0.000 1.065 297 Y CB 1.596 40.069 38.460 0.023 0.000 1.288 297 Y HN 0.486 nan 8.280 nan 0.000 0.481 298 L N 0.961 122.504 121.223 0.533 0.000 2.260 298 L HA 0.405 4.745 4.340 -0.001 0.000 0.289 298 L C 0.032 176.842 176.870 -0.101 0.000 1.057 298 L CA 0.114 54.948 54.840 -0.010 0.000 0.811 298 L CB 0.588 42.615 42.059 -0.054 0.000 1.184 298 L HN 1.000 nan 8.230 nan 0.000 0.429 299 C N 3.096 122.235 119.300 -0.269 0.000 2.518 299 C HA 0.132 4.591 4.460 -0.001 0.000 0.279 299 C C 0.720 175.505 174.990 -0.341 0.000 1.279 299 C CA 0.656 59.490 59.018 -0.306 0.000 1.703 299 C CB -0.588 27.032 27.740 -0.199 0.000 2.072 299 C HN 0.961 nan 8.230 nan 0.000 0.487 300 D N -1.471 118.763 120.400 -0.276 0.000 2.663 300 D HA 0.302 4.942 4.640 -0.001 0.000 0.233 300 D C -1.809 174.263 176.300 -0.380 0.000 1.240 300 D CA -0.086 53.840 54.000 -0.123 0.000 0.774 300 D CB 1.582 42.323 40.800 -0.098 0.000 1.443 300 D HN 0.077 nan 8.370 nan 0.000 0.441 301 V N 0.573 120.206 119.914 -0.468 0.000 2.628 301 V HA 0.884 5.004 4.120 -0.001 0.000 0.306 301 V C -0.220 175.506 176.094 -0.612 0.000 1.045 301 V CA -0.463 61.290 62.300 -0.912 0.000 0.905 301 V CB 1.307 31.971 31.823 -1.932 0.000 0.997 301 V HN 0.831 nan 8.190 nan 0.000 0.436 302 A N 3.490 125.973 122.820 -0.562 0.000 2.509 302 A HA 0.575 4.895 4.320 -0.001 0.000 0.282 302 A C -1.513 175.890 177.584 -0.300 0.000 1.054 302 A CA -0.581 51.285 52.037 -0.285 0.000 0.820 302 A CB 0.545 19.438 19.000 -0.178 0.000 1.333 302 A HN 0.776 nan 8.150 nan 0.000 0.409 303 W N 3.171 124.401 121.300 -0.118 0.000 2.368 303 W HA 0.352 5.011 4.660 -0.000 0.000 0.316 303 W C 1.098 177.542 176.519 -0.125 0.000 1.375 303 W CA 0.182 57.472 57.345 -0.091 0.000 1.261 303 W CB 1.158 30.645 29.460 0.046 0.000 1.298 303 W HN 0.523 nan 8.180 nan 0.000 0.539 304 V N 2.717 122.609 119.914 -0.037 0.000 2.256 304 V HA -0.119 4.001 4.120 -0.001 0.000 0.240 304 V C 1.197 177.333 176.094 0.070 0.000 1.036 304 V CA 2.012 64.183 62.300 -0.214 0.000 1.008 304 V CB -0.408 31.022 31.823 -0.656 0.000 0.648 304 V HN 0.627 nan 8.190 nan 0.000 0.453 305 S N -1.570 114.230 115.700 0.167 0.000 3.132 305 S HA 0.348 4.817 4.470 -0.001 0.000 0.322 305 S C 0.446 175.232 174.600 0.309 0.000 1.124 305 S CA -0.348 57.975 58.200 0.204 0.000 0.906 305 S CB 1.681 64.983 63.200 0.170 0.000 1.349 305 S HN 0.235 nan 8.310 nan 0.000 0.686 306 E N -0.221 120.138 120.200 0.265 0.000 2.463 306 E HA 0.156 4.505 4.350 -0.001 0.000 0.193 306 E C -0.460 176.455 176.600 0.525 0.000 1.041 306 E CA 0.115 56.704 56.400 0.315 0.000 0.879 306 E CB 0.112 29.918 29.700 0.177 0.000 0.997 306 E HN 0.487 nan 8.360 nan 0.000 0.478 307 D N 0.087 120.767 120.400 0.467 0.000 2.556 307 D HA 0.107 4.747 4.640 -0.001 0.000 0.237 307 D C -0.298 176.272 176.300 0.451 0.000 1.296 307 D CA 0.019 54.279 54.000 0.433 0.000 0.807 307 D CB 0.859 41.825 40.800 0.277 0.000 1.084 307 D HN -0.050 nan 8.370 nan 0.000 0.510 308 R N 1.086 121.879 120.500 0.487 0.000 2.548 308 R HA 0.582 4.922 4.340 -0.001 0.000 0.280 308 R C -1.849 174.531 176.300 0.132 0.000 1.061 308 R CA -0.511 55.757 56.100 0.281 0.000 0.915 308 R CB 1.960 32.315 30.300 0.092 0.000 1.210 308 R HN -0.026 nan 8.270 nan 0.000 0.442 309 I N 1.828 122.310 120.570 -0.146 0.000 2.828 309 I HA 0.443 4.612 4.170 -0.001 0.000 0.302 309 I C -1.281 174.523 176.117 -0.521 0.000 1.101 309 I CA -0.538 60.423 61.300 -0.565 0.000 1.031 309 I CB 2.449 39.724 38.000 -1.208 0.000 1.231 309 I HN 0.668 nan 8.210 nan 0.000 0.427 310 S N 7.318 122.661 115.700 -0.594 0.000 2.530 310 S HA 0.672 5.141 4.470 -0.001 0.000 0.322 310 S C -1.204 173.057 174.600 -0.566 0.000 1.085 310 S CA -0.609 57.298 58.200 -0.488 0.000 1.096 310 S CB 0.616 63.573 63.200 -0.406 0.000 0.988 310 S HN 0.503 nan 8.310 nan 0.000 0.466 311 L N 4.251 125.159 121.223 -0.525 0.000 2.346 311 L HA 0.597 4.936 4.340 -0.001 0.000 0.276 311 L C -0.069 176.492 176.870 -0.514 0.000 1.006 311 L CA -0.685 53.742 54.840 -0.690 0.000 0.817 311 L CB 1.956 43.532 42.059 -0.805 0.000 1.272 311 L HN 0.565 nan 8.230 nan 0.000 0.421 312 Q N 2.025 121.454 119.800 -0.619 0.000 2.331 312 Q HA 0.387 4.727 4.340 -0.001 0.000 0.267 312 Q C -1.678 174.037 176.000 -0.475 0.000 1.006 312 Q CA -0.522 55.055 55.803 -0.376 0.000 0.818 312 Q CB 2.540 31.121 28.738 -0.261 0.000 1.276 312 Q HN 0.473 nan 8.270 nan 0.000 0.450 313 W N 2.162 123.414 121.300 -0.079 0.000 2.706 313 W HA 0.631 5.290 4.660 -0.001 0.000 0.346 313 W C -0.736 175.815 176.519 0.054 0.000 1.071 313 W CA -0.608 56.743 57.345 0.010 0.000 1.206 313 W CB 1.117 30.584 29.460 0.011 0.000 1.413 313 W HN 0.372 nan 8.180 nan 0.000 0.542 314 L N 2.001 123.468 121.223 0.407 0.000 2.422 314 L HA 0.548 4.888 4.340 -0.001 0.000 0.264 314 L C -0.147 176.968 176.870 0.407 0.000 0.984 314 L CA -1.187 53.848 54.840 0.324 0.000 0.819 314 L CB 1.638 43.827 42.059 0.216 0.000 1.330 314 L HN 0.398 nan 8.230 nan 0.000 0.410 315 R N 1.854 122.554 120.500 0.333 0.000 2.615 315 R HA 0.269 4.609 4.340 -0.001 0.000 0.270 315 R C 0.964 177.419 176.300 0.258 0.000 1.081 315 R CA -0.291 55.964 56.100 0.258 0.000 1.154 315 R CB 0.595 31.006 30.300 0.186 0.000 1.063 315 R HN 0.601 nan 8.270 nan 0.000 0.519 316 R N 1.083 121.653 120.500 0.117 0.000 2.127 316 R HA -0.076 4.263 4.340 -0.001 0.000 0.238 316 R C 0.359 176.776 176.300 0.196 0.000 1.134 316 R CA 1.245 57.407 56.100 0.103 0.000 0.975 316 R CB 0.182 30.443 30.300 -0.064 0.000 0.865 316 R HN 0.370 nan 8.270 nan 0.000 0.447 317 I N 2.718 123.358 120.570 0.117 0.000 2.282 317 I HA 0.038 4.208 4.170 -0.001 0.000 0.290 317 I C 0.163 176.340 176.117 0.100 0.000 1.090 317 I CA 0.124 61.471 61.300 0.077 0.000 1.231 317 I CB 1.052 39.079 38.000 0.045 0.000 1.434 317 I HN 0.286 nan 8.210 nan 0.000 0.487 318 Q N 3.367 123.212 119.800 0.076 0.000 2.401 318 Q HA -0.112 4.227 4.340 -0.001 0.000 0.202 318 Q C 1.408 177.462 176.000 0.090 0.000 0.914 318 Q CA 0.232 56.081 55.803 0.077 0.000 1.006 318 Q CB -0.511 28.220 28.738 -0.011 0.000 1.041 318 Q HN 0.585 nan 8.270 nan 0.000 0.501 319 N N -0.503 118.256 118.700 0.098 0.000 2.171 319 N HA -0.122 4.617 4.740 -0.001 0.000 0.184 319 N C -0.280 175.320 175.510 0.150 0.000 1.021 319 N CA 0.388 53.492 53.050 0.089 0.000 0.854 319 N CB 0.319 38.853 38.487 0.079 0.000 0.994 319 N HN 0.237 nan 8.380 nan 0.000 0.426 320 Y N -0.011 120.306 120.300 0.027 0.000 2.468 320 Y HA 0.478 5.027 4.550 -0.001 0.000 0.342 320 Y C -0.898 175.035 175.900 0.054 0.000 1.021 320 Y CA -0.712 57.408 58.100 0.033 0.000 1.079 320 Y CB 1.838 40.314 38.460 0.026 0.000 1.226 320 Y HN -0.250 nan 8.280 nan 0.000 0.460 321 S N 3.723 119.206 115.700 -0.361 0.000 2.536 321 S HA 0.807 5.276 4.470 -0.001 0.000 0.271 321 S C -2.309 172.072 174.600 -0.364 0.000 1.134 321 S CA -0.538 57.542 58.200 -0.200 0.000 0.897 321 S CB 1.195 64.340 63.200 -0.092 0.000 1.094 321 S HN 0.528 nan 8.310 nan 0.000 0.473 322 V N 5.024 124.878 119.914 -0.100 0.000 2.709 322 V HA 0.592 4.712 4.120 -0.001 0.000 0.308 322 V C -0.463 175.660 176.094 0.049 0.000 1.062 322 V CA -0.633 61.638 62.300 -0.049 0.000 0.901 322 V CB 1.969 33.819 31.823 0.046 0.000 1.003 322 V HN 0.937 nan 8.190 nan 0.000 0.425 323 M N 4.883 124.490 119.600 0.012 0.000 2.027 323 M HA 0.715 5.195 4.480 -0.001 0.000 0.329 323 M C -0.273 176.043 176.300 0.027 0.000 0.971 323 M CA -0.467 54.819 55.300 -0.023 0.000 0.933 323 M CB 0.906 33.428 32.600 -0.129 0.000 1.392 323 M HN 0.790 nan 8.290 nan 0.000 0.394 324 A N 5.495 128.342 122.820 0.046 0.000 2.316 324 A HA 0.733 5.053 4.320 -0.001 0.000 0.284 324 A C -0.607 176.955 177.584 -0.038 0.000 1.115 324 A CA -0.573 51.479 52.037 0.026 0.000 0.812 324 A CB 0.541 19.565 19.000 0.040 0.000 1.064 324 A HN 0.912 nan 8.150 nan 0.000 0.489 325 I N 1.113 121.678 120.570 -0.008 0.000 2.378 325 I HA 0.314 4.484 4.170 -0.001 0.000 0.291 325 I C -0.748 175.358 176.117 -0.020 0.000 0.992 325 I CA -0.342 60.934 61.300 -0.040 0.000 1.154 325 I CB 1.524 39.558 38.000 0.055 0.000 1.315 325 I HN 0.542 nan 8.210 nan 0.000 0.448 326 c N 4.057 122.635 118.600 -0.035 0.000 2.456 326 c HA 0.513 5.082 4.570 -0.001 0.000 0.325 326 c C -0.390 173.824 174.090 0.206 0.000 1.217 326 c CA -0.827 55.549 56.329 0.079 0.000 1.687 326 c CB 1.404 43.967 42.510 0.089 0.000 2.270 326 c HN 0.620 nan 8.230 nan 0.000 0.499 327 D N 0.367 120.883 120.400 0.193 0.000 2.248 327 D HA 0.228 4.868 4.640 -0.001 0.000 0.246 327 D C -1.094 175.175 176.300 -0.051 0.000 1.027 327 D CA -0.191 53.889 54.000 0.134 0.000 0.853 327 D CB 1.859 42.683 40.800 0.041 0.000 1.243 327 D HN 0.623 nan 8.370 nan 0.000 0.462 328 Y N 1.942 121.937 120.300 -0.508 0.000 2.404 328 Y HA 0.083 4.633 4.550 -0.001 0.000 0.344 328 Y C 0.006 175.596 175.900 -0.517 0.000 0.995 328 Y CA -0.543 56.880 58.100 -1.128 0.000 1.201 328 Y CB 0.558 38.101 38.460 -1.529 0.000 1.151 328 Y HN 0.161 nan 8.280 nan 0.000 0.517 329 D N 6.072 125.848 120.400 -1.040 0.000 2.325 329 D HA 0.069 4.709 4.640 -0.001 0.000 0.251 329 D C 0.321 176.035 176.300 -0.976 0.000 1.196 329 D CA 0.047 53.611 54.000 -0.726 0.000 0.866 329 D CB 1.107 41.638 40.800 -0.448 0.000 1.101 329 D HN 0.775 nan 8.370 nan 0.000 0.476 330 K N 1.825 121.876 120.400 -0.581 0.000 2.057 330 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 330 K C 1.855 178.322 176.600 -0.222 0.000 1.050 330 K CA 1.080 57.160 56.287 -0.346 0.000 0.935 330 K CB 0.076 32.516 32.500 -0.100 0.000 0.715 330 K HN 0.382 nan 8.250 nan 0.000 0.439 331 T N 0.876 115.315 114.554 -0.191 0.000 2.588 331 T HA -0.111 4.239 4.350 -0.001 0.000 0.261 331 T C 1.765 176.398 174.700 -0.112 0.000 1.069 331 T CA 1.902 63.931 62.100 -0.117 0.000 1.172 331 T CB -0.319 68.491 68.868 -0.096 0.000 0.863 331 T HN 0.246 nan 8.240 nan 0.000 0.408 332 T N 2.164 116.633 114.554 -0.141 0.000 3.148 332 T HA 0.278 4.628 4.350 -0.001 0.000 0.253 332 T C 0.664 175.301 174.700 -0.106 0.000 1.134 332 T CA -0.058 61.981 62.100 -0.102 0.000 1.051 332 T CB -0.676 68.138 68.868 -0.090 0.000 0.959 332 T HN 0.391 nan 8.240 nan 0.000 0.525 333 L N 0.713 121.820 121.223 -0.194 0.000 3.823 333 L HA -0.151 4.188 4.340 -0.001 0.000 0.525 333 L C -0.698 176.147 176.870 -0.040 0.000 1.247 333 L CA -0.285 54.484 54.840 -0.118 0.000 0.776 333 L CB -2.032 40.091 42.059 0.106 0.000 1.443 333 L HN 0.113 nan 8.230 nan 0.000 0.831 334 V N -1.518 118.244 119.914 -0.253 0.000 3.178 334 V HA 0.513 4.632 4.120 -0.001 0.000 0.302 334 V C -0.534 175.409 176.094 -0.253 0.000 1.262 334 V CA -0.897 61.353 62.300 -0.082 0.000 1.030 334 V CB 2.172 33.974 31.823 -0.035 0.000 1.074 334 V HN 0.293 nan 8.190 nan 0.000 0.438 335 W N 1.844 123.176 121.300 0.053 0.000 2.417 335 W HA 0.616 5.276 4.660 -0.001 0.000 0.317 335 W C 0.126 176.635 176.519 -0.016 0.000 1.121 335 W CA -0.272 57.092 57.345 0.032 0.000 1.208 335 W CB 0.883 30.358 29.460 0.026 0.000 1.253 335 W HN 0.416 nan 8.180 nan 0.000 0.533 336 N N 2.044 120.822 118.700 0.130 0.000 2.321 336 N HA 0.390 5.130 4.740 -0.001 0.000 0.299 336 N C -1.368 174.182 175.510 0.068 0.000 1.048 336 N CA -0.518 52.569 53.050 0.061 0.000 0.836 336 N CB 1.837 40.322 38.487 -0.004 0.000 1.269 336 N HN 0.302 nan 8.380 nan 0.000 0.486 337 c N 2.138 120.758 118.600 0.032 0.000 3.276 337 c HA 0.262 4.831 4.570 -0.001 0.000 0.226 337 c C -2.026 172.056 174.090 -0.013 0.000 1.502 337 c CA -1.438 54.898 56.329 0.011 0.000 1.488 337 c CB -0.711 41.795 42.510 -0.005 0.000 2.014 337 c HN 0.525 nan 8.230 nan 0.000 0.492 338 P HA -0.017 nan 4.420 nan 0.000 0.261 338 P C 1.141 178.423 177.300 -0.031 0.000 1.173 338 P CA 1.017 64.105 63.100 -0.020 0.000 0.760 338 P CB 0.641 32.333 31.700 -0.013 0.000 0.783 339 T N -0.495 114.037 114.554 -0.037 0.000 2.946 339 T HA -0.145 4.204 4.350 -0.001 0.000 0.271 339 T C 1.378 176.045 174.700 -0.055 0.000 1.104 339 T CA 1.706 63.780 62.100 -0.044 0.000 1.114 339 T CB -1.302 67.542 68.868 -0.039 0.000 0.867 339 T HN 0.417 nan 8.240 nan 0.000 0.513 340 T N 2.071 116.596 114.554 -0.048 0.000 2.962 340 T HA -0.040 4.310 4.350 -0.001 0.000 0.270 340 T C 1.347 175.989 174.700 -0.097 0.000 1.088 340 T CA 0.854 62.920 62.100 -0.057 0.000 1.127 340 T CB -0.226 68.624 68.868 -0.030 0.000 0.883 340 T HN 0.614 nan 8.240 nan 0.000 0.493 341 Q N 0.024 119.771 119.800 -0.089 0.000 2.206 341 Q HA 0.291 4.631 4.340 -0.001 0.000 0.265 341 Q C 1.025 176.935 176.000 -0.149 0.000 0.866 341 Q CA -0.234 55.502 55.803 -0.111 0.000 1.073 341 Q CB 0.637 29.384 28.738 0.015 0.000 1.165 341 Q HN 0.284 nan 8.270 nan 0.000 0.465 342 E N 0.555 120.639 120.200 -0.194 0.000 2.008 342 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 342 E C -0.531 176.042 176.600 -0.047 0.000 0.986 342 E CA 0.972 57.312 56.400 -0.101 0.000 0.807 342 E CB 0.303 29.965 29.700 -0.063 0.000 0.766 342 E HN 0.270 nan 8.360 nan 0.000 0.450 343 H N -0.928 118.151 119.070 0.016 0.000 3.897 343 H HA -0.143 4.413 4.556 -0.001 0.000 0.298 343 H C -0.822 174.466 175.328 -0.066 0.000 0.767 343 H CA 0.894 56.937 56.048 -0.008 0.000 0.870 343 H CB -1.551 28.188 29.762 -0.039 0.000 1.357 343 H HN 0.176 nan 8.280 nan 0.000 0.324 344 I N 2.960 123.561 120.570 0.052 0.000 2.378 344 I HA 0.234 4.403 4.170 -0.001 0.000 0.291 344 I C 0.651 176.708 176.117 -0.101 0.000 0.992 344 I CA -0.314 60.920 61.300 -0.111 0.000 1.154 344 I CB 2.060 39.986 38.000 -0.124 0.000 1.315 344 I HN 0.403 nan 8.210 nan 0.000 0.448 345 E N 4.026 124.112 120.200 -0.189 0.000 2.179 345 E HA 0.594 4.944 4.350 -0.001 0.000 0.275 345 E C -1.193 175.319 176.600 -0.147 0.000 0.945 345 E CA -0.318 56.019 56.400 -0.105 0.000 0.792 345 E CB 1.814 31.469 29.700 -0.075 0.000 1.125 345 E HN 0.526 nan 8.360 nan 0.000 0.397 346 T N 1.558 116.078 114.554 -0.056 0.000 2.894 346 T HA 0.376 4.725 4.350 -0.001 0.000 0.309 346 T C -1.657 173.038 174.700 -0.008 0.000 1.208 346 T CA -0.618 61.469 62.100 -0.021 0.000 1.016 346 T CB 1.674 70.555 68.868 0.023 0.000 1.192 346 T HN 0.279 nan 8.240 nan 0.000 0.491 347 S N 0.976 116.670 115.700 -0.010 0.000 2.707 347 S HA 0.633 5.102 4.470 -0.001 0.000 0.303 347 S C 0.540 175.114 174.600 -0.045 0.000 1.132 347 S CA -0.184 57.991 58.200 -0.042 0.000 1.046 347 S CB 0.900 64.036 63.200 -0.107 0.000 1.004 347 S HN 0.845 nan 8.310 nan 0.000 0.483 348 A N 3.558 126.359 122.820 -0.031 0.000 2.275 348 A HA 0.240 4.559 4.320 -0.001 0.000 0.212 348 A C 1.425 178.982 177.584 -0.044 0.000 1.201 348 A CA 0.752 52.772 52.037 -0.027 0.000 0.843 348 A CB -0.329 18.664 19.000 -0.012 0.000 0.873 348 A HN 0.766 nan 8.150 nan 0.000 0.492 349 T N -2.122 112.392 114.554 -0.066 0.000 3.018 349 T HA 0.449 4.799 4.350 -0.001 0.000 0.246 349 T C 1.183 175.703 174.700 -0.300 0.000 1.026 349 T CA 0.808 62.870 62.100 -0.064 0.000 1.081 349 T CB 0.594 69.549 68.868 0.146 0.000 0.970 349 T HN 0.563 nan 8.240 nan 0.000 0.475 350 G N 0.543 108.968 108.800 -0.625 0.000 3.218 350 G HA2 0.459 4.418 3.960 -0.001 0.000 0.143 350 G HA3 0.459 4.418 3.960 -0.001 0.000 0.143 350 G C -1.664 172.980 174.900 -0.426 0.000 1.220 350 G CA -0.374 44.267 45.100 -0.765 0.000 1.382 350 G HN 0.434 nan 8.290 nan 0.000 0.682 351 W N -0.456 120.513 121.300 -0.552 0.000 2.671 351 W HA 0.750 5.409 4.660 -0.001 0.000 0.360 351 W C -0.573 175.864 176.519 -0.137 0.000 1.128 351 W CA -1.427 55.749 57.345 -0.282 0.000 1.184 351 W CB 0.785 30.046 29.460 -0.332 0.000 1.415 351 W HN 0.405 nan 8.180 nan 0.000 0.604 352 C N 3.362 122.705 119.300 0.072 0.000 2.415 352 C HA 0.739 5.198 4.460 -0.001 0.000 0.369 352 C C 1.074 176.114 174.990 0.083 0.000 1.279 352 C CA 1.202 60.231 59.018 0.017 0.000 1.886 352 C CB -0.849 26.902 27.740 0.019 0.000 2.468 352 C HN 1.193 nan 8.230 nan 0.000 0.553 353 G N 4.688 113.496 108.800 0.012 0.000 2.760 353 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.246 353 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.246 353 G C 0.479 175.443 174.900 0.106 0.000 1.359 353 G CA -0.262 44.874 45.100 0.059 0.000 0.861 353 G HN 0.707 nan 8.290 nan 0.000 0.541 354 R N -1.062 119.515 120.500 0.127 0.000 2.055 354 R HA 0.175 4.514 4.340 -0.001 0.000 0.226 354 R C 1.900 178.191 176.300 -0.016 0.000 1.135 354 R CA 1.997 58.144 56.100 0.079 0.000 0.959 354 R CB -0.081 30.310 30.300 0.150 0.000 0.854 354 R HN 0.460 nan 8.270 nan 0.000 0.431 355 F N -0.407 119.671 119.950 0.213 0.000 2.798 355 F HA 0.277 4.804 4.527 -0.001 0.000 0.328 355 F C 0.093 175.908 175.800 0.024 0.000 1.098 355 F CA -0.486 57.588 58.000 0.123 0.000 1.172 355 F CB 0.814 39.889 39.000 0.126 0.000 1.072 355 F HN -0.051 nan 8.300 nan 0.000 0.555 356 R N -1.961 118.653 120.500 0.191 0.000 3.343 356 R HA 0.257 4.597 4.340 -0.001 0.000 0.282 356 R C -3.412 172.932 176.300 0.072 0.000 0.974 356 R CA -1.646 54.496 56.100 0.070 0.000 0.857 356 R CB -0.488 29.804 30.300 -0.013 0.000 1.322 356 R HN -0.352 nan 8.270 nan 0.000 0.537 357 P HA 0.021 nan 4.420 nan 0.000 0.264 357 P C -0.455 176.867 177.300 0.037 0.000 1.179 357 P CA 0.530 63.640 63.100 0.016 0.000 0.763 357 P CB 0.540 32.222 31.700 -0.029 0.000 0.806 358 A N 2.563 125.421 122.820 0.063 0.000 2.346 358 A HA 0.130 4.449 4.320 -0.001 0.000 0.252 358 A C 0.398 178.031 177.584 0.083 0.000 1.089 358 A CA -0.251 51.847 52.037 0.101 0.000 0.797 358 A CB -0.096 18.980 19.000 0.126 0.000 1.047 358 A HN 0.585 nan 8.150 nan 0.000 0.494 359 E N 1.013 121.288 120.200 0.125 0.000 2.331 359 E HA 0.340 4.690 4.350 -0.001 0.000 0.272 359 E C -2.276 174.400 176.600 0.126 0.000 1.036 359 E CA -1.859 54.587 56.400 0.077 0.000 0.864 359 E CB 0.751 30.489 29.700 0.064 0.000 1.035 359 E HN 0.472 nan 8.360 nan 0.000 0.408 360 P HA 0.147 nan 4.420 nan 0.000 0.281 360 P C -1.210 176.120 177.300 0.049 0.000 1.249 360 P CA -0.170 62.959 63.100 0.049 0.000 0.810 360 P CB 0.849 32.372 31.700 -0.295 0.000 1.008 361 H N 1.830 121.008 119.070 0.181 0.000 2.866 361 H HA 0.281 4.836 4.556 -0.001 0.000 0.287 361 H C -0.269 175.233 175.328 0.290 0.000 1.106 361 H CA -0.343 55.862 56.048 0.261 0.000 1.396 361 H CB 0.234 30.138 29.762 0.237 0.000 1.469 361 H HN 0.293 nan 8.280 nan 0.000 0.500 362 F N 1.750 121.882 119.950 0.304 0.000 2.406 362 F HA 0.059 4.585 4.527 -0.001 0.000 0.327 362 F C 1.737 177.723 175.800 0.310 0.000 1.153 362 F CA -0.235 57.956 58.000 0.317 0.000 1.218 362 F CB 0.914 40.026 39.000 0.187 0.000 1.215 362 F HN 0.353 nan 8.300 nan 0.000 0.570 363 T N -1.764 113.071 114.554 0.469 0.000 2.788 363 T HA 0.161 4.510 4.350 -0.001 0.000 0.280 363 T C 1.228 176.112 174.700 0.307 0.000 0.984 363 T CA -0.453 61.859 62.100 0.355 0.000 0.972 363 T CB 1.030 70.081 68.868 0.304 0.000 1.039 363 T HN 0.492 nan 8.240 nan 0.000 0.530 364 S N 1.301 117.139 115.700 0.230 0.000 2.359 364 S HA -0.151 4.318 4.470 -0.001 0.000 0.222 364 S C 1.731 176.442 174.600 0.186 0.000 1.038 364 S CA 1.695 60.008 58.200 0.188 0.000 1.051 364 S CB -0.708 62.578 63.200 0.144 0.000 0.944 364 S HN 0.979 nan 8.310 nan 0.000 0.433 365 D N 0.689 121.195 120.400 0.176 0.000 2.371 365 D HA 0.066 4.706 4.640 -0.001 0.000 0.234 365 D C 1.152 177.573 176.300 0.201 0.000 1.049 365 D CA 0.790 54.888 54.000 0.163 0.000 0.907 365 D CB -0.987 39.895 40.800 0.137 0.000 0.891 365 D HN 0.474 nan 8.370 nan 0.000 0.531 366 G N 1.123 110.085 108.800 0.270 0.000 2.337 366 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.290 366 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.290 366 G C 1.104 176.251 174.900 0.411 0.000 1.003 366 G CA 1.144 46.472 45.100 0.382 0.000 0.825 366 G HN 0.584 nan 8.290 nan 0.000 0.509 367 S N -1.898 113.986 115.700 0.307 0.000 2.414 367 S HA 0.419 4.889 4.470 -0.001 0.000 0.227 367 S C 1.092 175.840 174.600 0.247 0.000 1.022 367 S CA 1.224 59.570 58.200 0.243 0.000 0.958 367 S CB 0.338 63.633 63.200 0.160 0.000 0.797 367 S HN 0.876 nan 8.310 nan 0.000 0.493 368 S N 0.338 116.175 115.700 0.228 0.000 2.651 368 S HA 0.814 5.284 4.470 -0.001 0.000 0.279 368 S C -1.124 173.475 174.600 -0.001 0.000 1.148 368 S CA -0.943 57.283 58.200 0.043 0.000 0.837 368 S CB 1.709 64.840 63.200 -0.115 0.000 1.138 368 S HN 0.620 nan 8.310 nan 0.000 0.478 369 F N -1.057 118.629 119.950 -0.440 0.000 2.654 369 F HA 0.783 5.309 4.527 -0.001 0.000 0.308 369 F C -2.186 173.385 175.800 -0.381 0.000 1.108 369 F CA -1.317 56.363 58.000 -0.534 0.000 0.957 369 F CB 0.591 38.736 39.000 -1.424 0.000 1.309 369 F HN 0.473 nan 8.300 nan 0.000 0.446 370 Y N 1.479 121.821 120.300 0.070 0.000 2.387 370 Y HA 0.723 5.273 4.550 -0.001 0.000 0.336 370 Y C -0.154 175.862 175.900 0.192 0.000 1.067 370 Y CA -1.076 57.044 58.100 0.034 0.000 1.114 370 Y CB 1.986 40.433 38.460 -0.021 0.000 1.208 370 Y HN 0.770 nan 8.280 nan 0.000 0.458 371 K N 2.580 123.155 120.400 0.292 0.000 2.542 371 K HA 0.514 4.833 4.320 -0.001 0.000 0.259 371 K C -1.734 174.959 176.600 0.155 0.000 0.932 371 K CA -0.579 55.876 56.287 0.280 0.000 0.820 371 K CB 1.661 34.356 32.500 0.324 0.000 1.345 371 K HN 0.736 nan 8.250 nan 0.000 0.432 372 I N 4.747 125.391 120.570 0.124 0.000 2.379 372 I HA 0.183 4.352 4.170 -0.001 0.000 0.290 372 I C 0.003 176.170 176.117 0.083 0.000 1.063 372 I CA -0.472 60.874 61.300 0.077 0.000 1.351 372 I CB 0.846 38.894 38.000 0.080 0.000 1.410 372 I HN 0.359 nan 8.210 nan 0.000 0.505 373 V N 1.921 121.883 119.914 0.081 0.000 3.049 373 V HA 0.511 4.631 4.120 -0.001 0.000 0.309 373 V C -0.090 176.098 176.094 0.157 0.000 1.148 373 V CA -0.757 61.602 62.300 0.097 0.000 0.990 373 V CB 1.808 33.697 31.823 0.109 0.000 1.039 373 V HN 0.606 nan 8.190 nan 0.000 0.430 374 S N 2.745 118.481 115.700 0.060 0.000 2.549 374 S HA 0.299 4.769 4.470 -0.001 0.000 0.286 374 S C -0.145 174.502 174.600 0.079 0.000 1.314 374 S CA 0.189 58.375 58.200 -0.024 0.000 1.062 374 S CB 0.207 63.327 63.200 -0.135 0.000 0.865 374 S HN 1.128 nan 8.310 nan 0.000 0.498 375 D N 1.489 121.801 120.400 -0.147 0.000 2.506 375 D HA 0.205 4.844 4.640 -0.001 0.000 0.272 375 D C 0.988 177.116 176.300 -0.286 0.000 1.214 375 D CA -0.848 52.843 54.000 -0.515 0.000 1.067 375 D CB 0.288 40.436 40.800 -1.087 0.000 1.117 375 D HN 0.386 nan 8.370 nan 0.000 0.578 376 K N -1.047 119.165 120.400 -0.314 0.000 2.228 376 K HA -0.189 4.131 4.320 -0.001 0.000 0.205 376 K C 0.264 176.786 176.600 -0.130 0.000 1.045 376 K CA 1.562 57.749 56.287 -0.167 0.000 0.931 376 K CB -0.051 32.357 32.500 -0.152 0.000 0.727 376 K HN 0.339 nan 8.250 nan 0.000 0.458 377 D N -1.330 118.991 120.400 -0.131 0.000 2.349 377 D HA 0.090 4.729 4.640 -0.001 0.000 0.214 377 D C 0.717 176.984 176.300 -0.055 0.000 1.063 377 D CA 0.858 54.839 54.000 -0.031 0.000 0.847 377 D CB 0.893 41.725 40.800 0.055 0.000 0.933 377 D HN 0.433 nan 8.370 nan 0.000 0.513 378 G N 0.834 109.531 108.800 -0.172 0.000 2.132 378 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.228 378 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.228 378 G C -0.431 174.133 174.900 -0.560 0.000 1.000 378 G CA -0.435 44.458 45.100 -0.346 0.000 0.693 378 G HN 0.266 nan 8.290 nan 0.000 0.515 379 Y N 0.036 120.089 120.300 -0.411 0.000 2.342 379 Y HA 0.581 5.131 4.550 -0.001 0.000 0.338 379 Y C 0.733 176.258 175.900 -0.625 0.000 0.965 379 Y CA -1.175 56.582 58.100 -0.571 0.000 1.159 379 Y CB 1.457 39.446 38.460 -0.785 0.000 1.157 379 Y HN 0.004 nan 8.280 nan 0.000 0.486 380 K N 3.668 123.848 120.400 -0.367 0.000 2.366 380 K HA 0.072 4.391 4.320 -0.001 0.000 0.279 380 K C -0.907 175.563 176.600 -0.217 0.000 1.098 380 K CA 0.757 56.923 56.287 -0.202 0.000 1.087 380 K CB -0.439 31.998 32.500 -0.106 0.000 0.901 380 K HN 0.674 nan 8.250 nan 0.000 0.463 381 H N 1.005 120.070 119.070 -0.008 0.000 2.907 381 H HA 0.457 5.013 4.556 -0.001 0.000 0.361 381 H C -0.326 174.986 175.328 -0.026 0.000 1.194 381 H CA -1.316 54.691 56.048 -0.068 0.000 1.152 381 H CB 1.584 31.316 29.762 -0.049 0.000 1.867 381 H HN 0.281 nan 8.280 nan 0.000 0.561 382 I N 2.504 123.067 120.570 -0.011 0.000 2.371 382 I HA 0.193 4.362 4.170 -0.001 0.000 0.290 382 I C -0.164 175.808 176.117 -0.241 0.000 1.028 382 I CA -0.192 61.030 61.300 -0.130 0.000 1.345 382 I CB 0.180 38.046 38.000 -0.222 0.000 1.407 382 I HN 0.487 nan 8.210 nan 0.000 0.501 383 c N 3.133 121.492 118.600 -0.402 0.000 2.994 383 c HA 0.539 5.108 4.570 -0.001 0.000 0.305 383 c C -0.502 173.182 174.090 -0.677 0.000 1.251 383 c CA -1.042 54.887 56.329 -0.667 0.000 1.478 383 c CB 1.297 42.986 42.510 -1.368 0.000 1.922 383 c HN 0.729 nan 8.230 nan 0.000 0.472 384 Q N 0.540 119.906 119.800 -0.724 0.000 2.299 384 Q HA 0.662 5.001 4.340 -0.001 0.000 0.246 384 Q C -1.361 174.025 176.000 -1.024 0.000 0.935 384 Q CA 0.222 55.507 55.803 -0.864 0.000 0.887 384 Q CB 1.233 29.568 28.738 -0.673 0.000 1.223 384 Q HN 0.704 nan 8.270 nan 0.000 0.439 385 F N 0.026 119.395 119.950 -0.968 0.000 2.603 385 F HA 0.328 4.854 4.527 -0.001 0.000 0.317 385 F C -0.052 175.308 175.800 -0.735 0.000 1.066 385 F CA -1.007 56.398 58.000 -0.993 0.000 0.941 385 F CB 1.955 39.784 39.000 -1.952 0.000 1.291 385 F HN 0.241 nan 8.300 nan 0.000 0.472 386 Q N 1.456 121.186 119.800 -0.118 0.000 2.309 386 Q HA 0.218 4.557 4.340 -0.001 0.000 0.264 386 Q C 0.862 177.039 176.000 0.294 0.000 1.008 386 Q CA -0.634 55.195 55.803 0.042 0.000 0.853 386 Q CB 2.295 31.065 28.738 0.053 0.000 1.314 386 Q HN 0.786 nan 8.270 nan 0.000 0.448 387 K N 1.730 122.347 120.400 0.363 0.000 2.077 387 K HA -0.181 4.139 4.320 -0.001 0.000 0.213 387 K C -0.296 176.548 176.600 0.407 0.000 1.051 387 K CA 1.589 58.182 56.287 0.511 0.000 0.929 387 K CB 0.135 32.853 32.500 0.363 0.000 0.715 387 K HN 0.472 nan 8.250 nan 0.000 0.451 388 D N 1.675 122.199 120.400 0.207 0.000 2.312 388 D HA 0.037 4.677 4.640 -0.001 0.000 0.252 388 D C -0.243 176.070 176.300 0.022 0.000 1.150 388 D CA -0.104 53.930 54.000 0.057 0.000 0.870 388 D CB 1.205 42.032 40.800 0.045 0.000 1.153 388 D HN 0.249 nan 8.370 nan 0.000 0.457 389 R N 1.958 122.339 120.500 -0.198 0.000 2.694 389 R HA 0.113 4.453 4.340 -0.001 0.000 0.268 389 R C -0.420 175.882 176.300 0.004 0.000 1.061 389 R CA 0.103 56.128 56.100 -0.124 0.000 1.133 389 R CB 0.562 30.712 30.300 -0.251 0.000 1.020 389 R HN 0.255 nan 8.270 nan 0.000 0.475 390 K N 4.244 124.678 120.400 0.057 0.000 2.345 390 K HA 0.323 4.642 4.320 -0.001 0.000 0.255 390 K C -2.384 174.234 176.600 0.030 0.000 0.934 390 K CA -2.148 54.157 56.287 0.031 0.000 0.801 390 K CB 2.178 34.692 32.500 0.025 0.000 1.137 390 K HN 0.538 nan 8.250 nan 0.000 0.424 391 P HA -0.140 nan 4.420 nan 0.000 0.243 391 P C -1.008 176.303 177.300 0.019 0.000 1.134 391 P CA 0.820 63.930 63.100 0.017 0.000 1.109 391 P CB -0.194 31.511 31.700 0.009 0.000 1.140 392 E N 1.983 122.201 120.200 0.030 0.000 2.389 392 E HA -0.233 4.116 4.350 -0.001 0.000 0.243 392 E C -0.137 176.472 176.600 0.015 0.000 1.154 392 E CA 0.500 56.916 56.400 0.028 0.000 0.723 392 E CB -1.806 27.906 29.700 0.021 0.000 1.261 392 E HN 0.665 nan 8.360 nan 0.000 0.390 393 Q N -1.808 117.998 119.800 0.010 0.000 1.882 393 Q HA 0.070 4.409 4.340 -0.001 0.000 0.188 393 Q C 1.061 177.029 176.000 -0.053 0.000 0.795 393 Q CA 0.331 56.121 55.803 -0.022 0.000 0.932 393 Q CB 0.808 29.534 28.738 -0.020 0.000 1.239 393 Q HN 0.179 nan 8.270 nan 0.000 0.406 394 V N -1.000 118.912 119.914 -0.004 0.000 2.660 394 V HA -0.182 3.937 4.120 -0.001 0.000 0.257 394 V C 1.099 176.995 176.094 -0.330 0.000 1.088 394 V CA 0.904 63.227 62.300 0.038 0.000 1.106 394 V CB -0.502 31.522 31.823 0.335 0.000 0.686 394 V HN 0.446 nan 8.190 nan 0.000 0.481 395 c N -0.538 117.791 118.600 -0.452 0.000 2.529 395 c HA 0.712 5.281 4.570 -0.001 0.000 0.329 395 c C 0.471 174.263 174.090 -0.496 0.000 1.194 395 c CA -0.110 55.727 56.329 -0.821 0.000 1.779 395 c CB 1.657 43.593 42.510 -0.957 0.000 2.322 395 c HN 0.479 nan 8.230 nan 0.000 0.500 396 T N 3.229 117.439 114.554 -0.573 0.000 2.985 396 T HA 0.375 4.725 4.350 -0.001 0.000 0.315 396 T C -0.786 173.725 174.700 -0.316 0.000 1.001 396 T CA -0.049 61.881 62.100 -0.283 0.000 1.016 396 T CB 0.069 68.811 68.868 -0.209 0.000 0.993 396 T HN 0.376 nan 8.240 nan 0.000 0.454 397 F N 2.510 122.342 119.950 -0.197 0.000 2.529 397 F HA 0.312 4.839 4.527 -0.001 0.000 0.365 397 F C 1.543 177.240 175.800 -0.172 0.000 1.102 397 F CA -0.416 57.471 58.000 -0.188 0.000 1.271 397 F CB 0.504 39.411 39.000 -0.156 0.000 1.120 397 F HN 0.535 nan 8.300 nan 0.000 0.579 398 I N 1.088 121.607 120.570 -0.086 0.000 4.018 398 I HA 0.091 4.260 4.170 -0.001 0.000 0.337 398 I C -0.083 175.911 176.117 -0.204 0.000 1.327 398 I CA 0.495 61.660 61.300 -0.224 0.000 1.100 398 I CB 0.055 37.829 38.000 -0.377 0.000 1.025 398 I HN 0.493 nan 8.210 nan 0.000 0.396 399 T N 1.393 115.824 114.554 -0.204 0.000 2.952 399 T HA 0.500 4.850 4.350 -0.001 0.000 0.305 399 T C -0.712 173.558 174.700 -0.717 0.000 1.064 399 T CA -0.686 61.127 62.100 -0.479 0.000 1.008 399 T CB 2.476 70.900 68.868 -0.740 0.000 1.078 399 T HN -0.024 nan 8.240 nan 0.000 0.459 400 K N 0.764 120.762 120.400 -0.670 0.000 2.480 400 K HA 0.872 5.192 4.320 -0.001 0.000 0.258 400 K C -0.369 176.053 176.600 -0.295 0.000 0.990 400 K CA -1.109 54.921 56.287 -0.427 0.000 0.857 400 K CB 2.562 34.959 32.500 -0.172 0.000 1.384 400 K HN 0.990 nan 8.250 nan 0.000 0.446 401 G N -0.341 108.362 108.800 -0.162 0.000 2.362 401 G HA2 0.264 4.224 3.960 -0.001 0.000 0.656 401 G HA3 0.264 4.224 3.960 -0.001 0.000 0.656 401 G C -1.406 173.135 174.900 -0.599 0.000 1.376 401 G CA -0.501 44.526 45.100 -0.121 0.000 0.971 401 G HN 0.612 nan 8.290 nan 0.000 0.636 402 A N 1.276 123.883 122.820 -0.355 0.000 3.168 402 A HA 0.657 4.977 4.320 -0.001 0.000 0.260 402 A C 0.248 177.826 177.584 -0.009 0.000 1.598 402 A CA 0.581 52.173 52.037 -0.742 0.000 1.285 402 A CB -0.993 17.797 19.000 -0.350 0.000 1.149 402 A HN 1.804 nan 8.150 nan 0.000 0.630 403 W N -0.963 120.283 121.300 -0.090 0.000 2.937 403 W HA 0.672 5.331 4.660 -0.001 0.000 0.360 403 W C -1.088 175.538 176.519 0.177 0.000 1.215 403 W CA -0.842 56.561 57.345 0.098 0.000 1.183 403 W CB 0.298 29.779 29.460 0.036 0.000 1.458 403 W HN 0.248 nan 8.180 nan 0.000 0.574 404 E N 0.490 120.849 120.200 0.265 0.000 2.369 404 E HA 0.476 4.826 4.350 -0.001 0.000 0.270 404 E C -1.278 175.459 176.600 0.228 0.000 0.909 404 E CA -1.180 55.244 56.400 0.040 0.000 0.775 404 E CB 3.338 33.070 29.700 0.053 0.000 1.270 404 E HN 0.159 nan 8.360 nan 0.000 0.445 405 V N 3.665 123.654 119.914 0.125 0.000 2.432 405 V HA 0.025 4.144 4.120 -0.001 0.000 0.271 405 V C 1.219 177.411 176.094 0.164 0.000 1.046 405 V CA -0.155 62.239 62.300 0.156 0.000 0.945 405 V CB 0.623 32.419 31.823 -0.045 0.000 0.992 405 V HN 0.688 nan 8.190 nan 0.000 0.471 406 I N 3.330 124.011 120.570 0.186 0.000 2.233 406 I HA -0.016 4.154 4.170 -0.001 0.000 0.243 406 I C 1.047 177.260 176.117 0.160 0.000 1.093 406 I CA 1.301 62.685 61.300 0.139 0.000 1.380 406 I CB -0.608 37.411 38.000 0.031 0.000 1.067 406 I HN 0.851 nan 8.210 nan 0.000 0.413 407 S N -0.740 115.058 115.700 0.164 0.000 2.565 407 S HA 0.500 4.970 4.470 -0.001 0.000 0.274 407 S C -0.847 173.834 174.600 0.136 0.000 1.144 407 S CA -0.905 57.386 58.200 0.151 0.000 0.849 407 S CB 1.304 64.599 63.200 0.158 0.000 1.103 407 S HN 0.032 nan 8.310 nan 0.000 0.455 408 I N 2.472 123.066 120.570 0.040 0.000 2.371 408 I HA 0.293 4.463 4.170 -0.001 0.000 0.290 408 I C 0.835 176.945 176.117 -0.011 0.000 1.028 408 I CA -0.395 60.850 61.300 -0.091 0.000 1.345 408 I CB 1.058 38.729 38.000 -0.548 0.000 1.407 408 I HN 0.758 nan 8.210 nan 0.000 0.501 409 E N 4.884 125.129 120.200 0.074 0.000 2.389 409 E HA 0.338 4.687 4.350 -0.001 0.000 0.199 409 E C 0.072 176.748 176.600 0.128 0.000 0.978 409 E CA 0.148 56.616 56.400 0.115 0.000 0.912 409 E CB 0.972 30.724 29.700 0.087 0.000 0.907 409 E HN 0.691 nan 8.360 nan 0.000 0.494 410 A N 0.627 123.530 122.820 0.139 0.000 2.590 410 A HA 0.512 4.832 4.320 -0.001 0.000 0.296 410 A C -2.077 175.631 177.584 0.206 0.000 1.050 410 A CA -0.703 51.438 52.037 0.173 0.000 0.697 410 A CB 0.901 19.948 19.000 0.079 0.000 1.277 410 A HN 0.032 nan 8.150 nan 0.000 0.411 411 L N 1.766 123.109 121.223 0.200 0.000 2.427 411 L HA 0.645 4.984 4.340 -0.001 0.000 0.264 411 L C 0.144 177.111 176.870 0.163 0.000 0.989 411 L CA 0.387 55.315 54.840 0.147 0.000 0.865 411 L CB 1.393 43.533 42.059 0.136 0.000 1.209 411 L HN 0.802 nan 8.230 nan 0.000 0.430 412 T N 0.982 115.642 114.554 0.177 0.000 2.770 412 T HA 0.189 4.539 4.350 -0.001 0.000 0.281 412 T C 1.348 176.100 174.700 0.086 0.000 0.981 412 T CA 0.291 62.477 62.100 0.144 0.000 0.955 412 T CB 1.150 70.129 68.868 0.185 0.000 1.060 412 T HN 0.719 nan 8.240 nan 0.000 0.531 413 S N 0.095 115.825 115.700 0.050 0.000 2.481 413 S HA -0.081 4.389 4.470 -0.001 0.000 0.231 413 S C 0.758 175.356 174.600 -0.004 0.000 0.996 413 S CA 1.297 59.521 58.200 0.039 0.000 0.942 413 S CB -0.388 62.825 63.200 0.023 0.000 0.768 413 S HN 0.852 nan 8.310 nan 0.000 0.520 414 D N -1.827 118.525 120.400 -0.080 0.000 2.449 414 D HA 0.208 4.848 4.640 -0.001 0.000 0.255 414 D C -0.118 176.116 176.300 -0.111 0.000 1.121 414 D CA -0.319 53.581 54.000 -0.166 0.000 0.830 414 D CB -0.048 40.531 40.800 -0.368 0.000 1.280 414 D HN 0.496 nan 8.370 nan 0.000 0.522 415 Y N 0.215 120.483 120.300 -0.053 0.000 2.485 415 Y HA 0.544 5.093 4.550 -0.001 0.000 0.345 415 Y C -1.179 174.614 175.900 -0.179 0.000 0.998 415 Y CA -1.803 56.192 58.100 -0.175 0.000 1.059 415 Y CB 2.559 40.827 38.460 -0.321 0.000 1.234 415 Y HN -0.154 nan 8.280 nan 0.000 0.461 416 L N 3.817 124.984 121.223 -0.094 0.000 2.388 416 L HA 0.462 4.801 4.340 -0.001 0.000 0.267 416 L C -1.951 174.859 176.870 -0.101 0.000 0.995 416 L CA -1.058 53.715 54.840 -0.112 0.000 0.864 416 L CB -0.061 41.838 42.059 -0.266 0.000 1.216 416 L HN 0.375 nan 8.230 nan 0.000 0.430 417 Y N 5.713 125.994 120.300 -0.032 0.000 2.336 417 Y HA 0.518 5.068 4.550 -0.001 0.000 0.335 417 Y C -0.007 175.898 175.900 0.008 0.000 1.046 417 Y CA 0.094 58.141 58.100 -0.088 0.000 1.198 417 Y CB 0.727 39.105 38.460 -0.137 0.000 1.182 417 Y HN 0.656 nan 8.280 nan 0.000 0.502 418 Y N 0.240 120.575 120.300 0.059 0.000 2.805 418 Y HA 0.875 5.425 4.550 -0.001 0.000 0.323 418 Y C -1.667 174.282 175.900 0.082 0.000 1.279 418 Y CA -2.212 55.913 58.100 0.042 0.000 1.103 418 Y CB 1.314 39.779 38.460 0.008 0.000 1.324 418 Y HN 0.347 nan 8.280 nan 0.000 0.498 419 I N 2.209 123.000 120.570 0.368 0.000 2.534 419 I HA 0.538 4.707 4.170 -0.001 0.000 0.288 419 I C -0.968 175.371 176.117 0.370 0.000 1.077 419 I CA -0.535 60.904 61.300 0.231 0.000 1.051 419 I CB 2.254 40.319 38.000 0.108 0.000 1.234 419 I HN 0.881 nan 8.210 nan 0.000 0.425 420 S N 3.157 119.055 115.700 0.331 0.000 2.697 420 S HA 0.482 4.951 4.470 -0.001 0.000 0.289 420 S C -0.404 174.310 174.600 0.190 0.000 1.149 420 S CA -0.805 57.586 58.200 0.318 0.000 0.850 420 S CB 1.842 65.336 63.200 0.489 0.000 1.151 420 S HN 0.654 nan 8.310 nan 0.000 0.491 421 N N -0.508 118.307 118.700 0.193 0.000 2.328 421 N HA 0.115 4.855 4.740 -0.001 0.000 0.247 421 N C 0.551 176.108 175.510 0.079 0.000 1.165 421 N CA -0.240 52.866 53.050 0.093 0.000 0.873 421 N CB 0.174 38.685 38.487 0.039 0.000 1.125 421 N HN 0.851 nan 8.380 nan 0.000 0.513 422 E N 0.097 120.274 120.200 -0.038 0.000 2.028 422 E HA -0.211 4.139 4.350 -0.001 0.000 0.191 422 E C -0.230 176.245 176.600 -0.207 0.000 0.988 422 E CA 0.286 56.416 56.400 -0.450 0.000 0.799 422 E CB -0.179 28.618 29.700 -1.505 0.000 0.755 422 E HN 0.323 nan 8.360 nan 0.000 0.447 423 Y N 2.027 122.238 120.300 -0.147 0.000 2.987 423 Y HA -0.176 4.374 4.550 -0.001 0.000 0.339 423 Y C 0.349 176.219 175.900 -0.051 0.000 1.272 423 Y CA 0.921 58.988 58.100 -0.055 0.000 1.562 423 Y CB 0.164 38.640 38.460 0.027 0.000 1.253 423 Y HN 0.161 nan 8.280 nan 0.000 0.604 424 K N 3.631 123.730 120.400 -0.502 0.000 2.975 424 K HA -0.341 3.978 4.320 -0.001 0.000 0.257 424 K C 0.123 176.632 176.600 -0.152 0.000 1.005 424 K CA 1.192 57.220 56.287 -0.432 0.000 0.738 424 K CB -1.010 31.122 32.500 -0.613 0.000 1.236 424 K HN 0.927 nan 8.250 nan 0.000 0.483 425 E N -1.596 118.542 120.200 -0.103 0.000 2.450 425 E HA -0.264 4.086 4.350 -0.001 0.000 0.244 425 E C -0.439 176.126 176.600 -0.058 0.000 1.226 425 E CA 1.078 57.459 56.400 -0.032 0.000 0.720 425 E CB -0.938 28.776 29.700 0.023 0.000 1.254 425 E HN 0.469 nan 8.360 nan 0.000 0.399 426 M N 1.024 120.513 119.600 -0.185 0.000 2.080 426 M HA 0.131 4.611 4.480 -0.001 0.000 0.350 426 M C -1.416 174.612 176.300 -0.453 0.000 1.143 426 M CA -1.853 53.148 55.300 -0.499 0.000 1.064 426 M CB 0.834 33.230 32.600 -0.340 0.000 1.429 426 M HN -0.160 nan 8.290 nan 0.000 0.418 427 P HA -0.045 nan 4.420 nan 0.000 0.230 427 P C 0.957 178.106 177.300 -0.253 0.000 1.158 427 P CA 1.050 63.968 63.100 -0.303 0.000 0.769 427 P CB 0.189 31.721 31.700 -0.279 0.000 0.807 428 G N -0.494 108.062 108.800 -0.407 0.000 3.042 428 G HA2 0.257 4.216 3.960 -0.001 0.000 0.212 428 G HA3 0.257 4.216 3.960 -0.001 0.000 0.212 428 G C 0.716 175.643 174.900 0.044 0.000 1.166 428 G CA 0.103 45.119 45.100 -0.140 0.000 0.767 428 G HN 0.426 nan 8.290 nan 0.000 0.546 429 G N -0.246 108.533 108.800 -0.036 0.000 2.441 429 G HA2 0.606 4.566 3.960 -0.001 0.000 0.334 429 G HA3 0.606 4.566 3.960 -0.001 0.000 0.334 429 G C -0.867 173.992 174.900 -0.068 0.000 1.161 429 G CA -0.748 44.386 45.100 0.058 0.000 0.935 429 G HN 0.029 nan 8.290 nan 0.000 0.488 430 R N 1.338 121.735 120.500 -0.173 0.000 2.483 430 R HA 0.406 4.745 4.340 -0.001 0.000 0.303 430 R C -1.037 175.256 176.300 -0.010 0.000 0.987 430 R CA -0.781 55.159 56.100 -0.267 0.000 0.881 430 R CB 1.501 31.323 30.300 -0.797 0.000 1.177 430 R HN 0.551 nan 8.270 nan 0.000 0.451 431 N N 1.917 120.662 118.700 0.075 0.000 2.240 431 N HA 0.312 5.052 4.740 -0.001 0.000 0.302 431 N C -1.054 174.420 175.510 -0.061 0.000 1.106 431 N CA -0.827 52.240 53.050 0.028 0.000 0.778 431 N CB 2.762 41.232 38.487 -0.028 0.000 1.431 431 N HN 0.247 nan 8.380 nan 0.000 0.479 432 L N 2.812 123.837 121.223 -0.330 0.000 2.261 432 L HA 0.420 4.760 4.340 -0.001 0.000 0.289 432 L C -1.240 175.265 176.870 -0.608 0.000 1.059 432 L CA 0.030 54.645 54.840 -0.375 0.000 0.816 432 L CB -0.458 41.338 42.059 -0.437 0.000 1.191 432 L HN 0.392 nan 8.230 nan 0.000 0.431 433 Y N 4.125 124.026 120.300 -0.665 0.000 2.618 433 Y HA 0.714 5.264 4.550 -0.001 0.000 0.326 433 Y C -0.104 175.351 175.900 -0.740 0.000 1.168 433 Y CA -0.662 56.961 58.100 -0.795 0.000 1.269 433 Y CB 1.225 38.986 38.460 -1.166 0.000 1.388 433 Y HN 0.596 nan 8.280 nan 0.000 0.528 434 K N 0.685 120.813 120.400 -0.453 0.000 2.570 434 K HA 0.591 4.910 4.320 -0.001 0.000 0.256 434 K C -2.364 174.015 176.600 -0.368 0.000 0.939 434 K CA -0.429 55.543 56.287 -0.524 0.000 0.833 434 K CB 1.272 33.259 32.500 -0.856 0.000 1.318 434 K HN 0.668 nan 8.250 nan 0.000 0.433 435 I N 2.590 123.001 120.570 -0.265 0.000 2.569 435 I HA 0.246 4.415 4.170 -0.001 0.000 0.296 435 I C -0.470 175.615 176.117 -0.054 0.000 1.028 435 I CA -1.045 60.185 61.300 -0.116 0.000 1.082 435 I CB 2.203 40.202 38.000 -0.003 0.000 1.264 435 I HN 0.698 nan 8.210 nan 0.000 0.429 436 Q N 4.694 124.543 119.800 0.083 0.000 2.288 436 Q HA 0.283 4.623 4.340 -0.001 0.000 0.258 436 Q C 0.393 176.538 176.000 0.242 0.000 0.957 436 Q CA -0.349 55.647 55.803 0.323 0.000 0.919 436 Q CB 1.300 30.223 28.738 0.309 0.000 1.185 436 Q HN 0.681 nan 8.270 nan 0.000 0.408 437 L N 2.625 123.973 121.223 0.208 0.000 2.017 437 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 437 L C 2.481 179.474 176.870 0.204 0.000 1.073 437 L CA 1.828 56.809 54.840 0.235 0.000 0.745 437 L CB -0.831 41.325 42.059 0.163 0.000 0.894 437 L HN 0.797 nan 8.230 nan 0.000 0.432 438 T N -3.841 110.770 114.554 0.096 0.000 2.977 438 T HA -0.152 4.197 4.350 -0.001 0.000 0.271 438 T C 0.627 175.309 174.700 -0.030 0.000 1.105 438 T CA 0.866 62.977 62.100 0.017 0.000 1.116 438 T CB -0.138 68.734 68.868 0.008 0.000 0.878 438 T HN 0.212 nan 8.240 nan 0.000 0.509 439 D N 0.116 120.532 120.400 0.026 0.000 2.323 439 D HA 0.157 4.797 4.640 -0.001 0.000 0.242 439 D C -0.153 176.222 176.300 0.125 0.000 1.347 439 D CA -0.538 53.467 54.000 0.009 0.000 0.988 439 D CB 0.628 41.446 40.800 0.031 0.000 1.314 439 D HN 0.098 nan 8.370 nan 0.000 0.564 440 H N 1.433 120.519 119.070 0.027 0.000 2.568 440 H HA 0.017 4.572 4.556 -0.001 0.000 0.281 440 H C 1.486 176.824 175.328 0.017 0.000 1.028 440 H CA 0.715 56.777 56.048 0.024 0.000 1.199 440 H CB 0.031 29.805 29.762 0.019 0.000 1.352 440 H HN 0.288 nan 8.280 nan 0.000 0.605 441 T N -0.451 114.175 114.554 0.120 0.000 2.937 441 T HA -0.070 4.279 4.350 -0.001 0.000 0.260 441 T C 1.701 176.429 174.700 0.047 0.000 1.051 441 T CA 0.906 63.046 62.100 0.067 0.000 1.141 441 T CB -0.415 68.476 68.868 0.037 0.000 0.879 441 T HN 0.696 nan 8.240 nan 0.000 0.459 442 N N 2.418 121.147 118.700 0.049 0.000 3.059 442 N HA 0.111 4.850 4.740 -0.001 0.000 0.321 442 N C 0.030 175.526 175.510 -0.024 0.000 1.224 442 N CA 0.223 53.284 53.050 0.018 0.000 1.197 442 N CB -0.808 37.705 38.487 0.044 0.000 1.453 442 N HN 0.423 nan 8.380 nan 0.000 0.544 443 K N 0.751 121.142 120.400 -0.016 0.000 2.240 443 K HA 0.356 4.675 4.320 -0.001 0.000 0.271 443 K C -0.725 175.841 176.600 -0.057 0.000 1.018 443 K CA -0.619 55.655 56.287 -0.022 0.000 0.874 443 K CB 0.615 33.142 32.500 0.046 0.000 1.098 443 K HN 0.404 nan 8.250 nan 0.000 0.458 444 K N 4.381 124.701 120.400 -0.134 0.000 2.468 444 K HA 0.248 4.568 4.320 -0.001 0.000 0.252 444 K C -1.536 174.867 176.600 -0.327 0.000 0.932 444 K CA -0.847 55.325 56.287 -0.192 0.000 0.794 444 K CB 1.723 34.093 32.500 -0.217 0.000 1.241 444 K HN 0.762 nan 8.250 nan 0.000 0.428 445 C N 5.921 124.949 119.300 -0.454 0.000 2.514 445 C HA 0.387 4.846 4.460 -0.001 0.000 0.392 445 C C 1.176 175.782 174.990 -0.639 0.000 1.294 445 C CA -0.568 57.909 59.018 -0.900 0.000 1.957 445 C CB -0.891 26.194 27.740 -1.091 0.000 2.541 445 C HN 0.917 nan 8.230 nan 0.000 0.569 446 L N 4.926 125.749 121.223 -0.666 0.000 2.693 446 L HA 0.165 4.504 4.340 -0.001 0.000 0.235 446 L C 1.802 178.356 176.870 -0.527 0.000 1.127 446 L CA 0.461 55.003 54.840 -0.497 0.000 0.914 446 L CB -0.301 41.467 42.059 -0.485 0.000 1.193 446 L HN 0.889 nan 8.230 nan 0.000 0.502 447 S N -3.056 112.245 115.700 -0.665 0.000 2.604 447 S HA 0.002 4.472 4.470 -0.001 0.000 0.235 447 S C 1.661 175.987 174.600 -0.458 0.000 1.043 447 S CA -0.150 57.594 58.200 -0.761 0.000 0.997 447 S CB -0.231 62.116 63.200 -1.421 0.000 0.956 447 S HN 0.294 nan 8.310 nan 0.000 0.535 448 C N 2.810 121.789 119.300 -0.534 0.000 2.411 448 C HA -0.064 4.396 4.460 -0.001 0.000 0.279 448 C C 2.257 177.064 174.990 -0.305 0.000 1.288 448 C CA 1.206 59.861 59.018 -0.605 0.000 1.764 448 C CB -0.974 26.104 27.740 -1.104 0.000 1.974 448 C HN 0.626 nan 8.230 nan 0.000 0.498 449 D N 0.663 120.928 120.400 -0.224 0.000 2.178 449 D HA 0.017 4.656 4.640 -0.001 0.000 0.217 449 D C 2.128 178.420 176.300 -0.014 0.000 0.992 449 D CA 0.534 54.480 54.000 -0.091 0.000 0.895 449 D CB -0.902 39.844 40.800 -0.090 0.000 1.031 449 D HN 0.321 nan 8.370 nan 0.000 0.453 450 L N -0.340 120.873 121.223 -0.017 0.000 2.490 450 L HA -0.336 4.003 4.340 -0.001 0.000 0.232 450 L C 0.201 177.117 176.870 0.077 0.000 1.147 450 L CA 2.124 56.993 54.840 0.050 0.000 0.825 450 L CB -1.092 41.018 42.059 0.084 0.000 0.992 450 L HN 0.106 nan 8.230 nan 0.000 0.425 451 N N -1.463 117.306 118.700 0.114 0.000 2.716 451 N HA 0.153 4.892 4.740 -0.001 0.000 0.245 451 N C -1.893 173.669 175.510 0.087 0.000 1.495 451 N CA -0.632 52.467 53.050 0.081 0.000 0.759 451 N CB 1.067 39.591 38.487 0.062 0.000 1.261 451 N HN 0.129 nan 8.380 nan 0.000 0.515 452 P HA -0.226 nan 4.420 nan 0.000 0.218 452 P C 0.377 177.726 177.300 0.082 0.000 1.146 452 P CA 1.556 64.731 63.100 0.125 0.000 0.813 452 P CB 0.530 32.310 31.700 0.134 0.000 0.778 453 E N 0.375 120.605 120.200 0.050 0.000 2.033 453 E HA -0.090 4.259 4.350 -0.001 0.000 0.189 453 E C 2.426 179.029 176.600 0.005 0.000 0.979 453 E CA 0.760 57.175 56.400 0.026 0.000 0.802 453 E CB -1.093 28.616 29.700 0.014 0.000 0.763 453 E HN 0.133 nan 8.360 nan 0.000 0.449 454 R N -0.082 120.412 120.500 -0.011 0.000 2.100 454 R HA 0.131 4.471 4.340 -0.001 0.000 0.220 454 R C -0.237 176.016 176.300 -0.078 0.000 1.091 454 R CA 0.889 56.960 56.100 -0.049 0.000 0.986 454 R CB 0.139 30.403 30.300 -0.061 0.000 0.888 454 R HN 0.255 nan 8.270 nan 0.000 0.444 455 c N 0.712 119.264 118.600 -0.080 0.000 2.319 455 c HA 0.447 5.017 4.570 -0.001 0.000 0.323 455 c C 0.306 174.314 174.090 -0.136 0.000 1.277 455 c CA -0.743 55.453 56.329 -0.223 0.000 1.517 455 c CB 1.495 43.744 42.510 -0.435 0.000 2.206 455 c HN 0.492 nan 8.230 nan 0.000 0.486 456 Q N 0.071 119.800 119.800 -0.118 0.000 2.081 456 Q HA 0.155 4.494 4.340 -0.001 0.000 0.220 456 Q C -0.989 175.057 176.000 0.077 0.000 0.775 456 Q CA 0.121 55.954 55.803 0.050 0.000 0.983 456 Q CB 1.251 30.046 28.738 0.096 0.000 1.188 456 Q HN 0.815 nan 8.270 nan 0.000 0.458 457 Y N 0.620 120.793 120.300 -0.211 0.000 2.488 457 Y HA 0.354 4.903 4.550 -0.001 0.000 0.330 457 Y C -1.373 174.397 175.900 -0.217 0.000 1.013 457 Y CA -0.943 57.082 58.100 -0.126 0.000 1.304 457 Y CB 0.568 38.980 38.460 -0.080 0.000 1.098 457 Y HN -0.062 nan 8.280 nan 0.000 0.498 458 Y N 1.938 122.170 120.300 -0.113 0.000 2.419 458 Y HA 0.533 5.083 4.550 -0.001 0.000 0.328 458 Y C 0.410 176.257 175.900 -0.088 0.000 1.162 458 Y CA -0.479 57.573 58.100 -0.080 0.000 1.174 458 Y CB 1.910 40.308 38.460 -0.103 0.000 1.228 458 Y HN 0.467 nan 8.280 nan 0.000 0.473 459 S N 1.817 117.625 115.700 0.180 0.000 2.536 459 S HA 0.809 5.279 4.470 -0.001 0.000 0.298 459 S C -1.362 173.334 174.600 0.160 0.000 1.083 459 S CA -0.587 57.700 58.200 0.147 0.000 0.995 459 S CB 1.674 64.984 63.200 0.184 0.000 1.058 459 S HN 0.594 nan 8.310 nan 0.000 0.488 460 V N 1.457 121.450 119.914 0.131 0.000 3.182 460 V HA 0.969 5.088 4.120 -0.001 0.000 0.311 460 V C -0.849 175.355 176.094 0.183 0.000 1.221 460 V CA -0.013 62.363 62.300 0.127 0.000 1.060 460 V CB 2.206 34.040 31.823 0.018 0.000 1.164 460 V HN 1.396 nan 8.190 nan 0.000 0.466 461 S N 1.760 117.593 115.700 0.221 0.000 2.194 461 S HA 0.370 4.840 4.470 -0.001 0.000 0.249 461 S C -1.686 173.181 174.600 0.445 0.000 0.777 461 S CA -0.552 57.843 58.200 0.326 0.000 0.947 461 S CB 0.035 63.445 63.200 0.349 0.000 1.282 461 S HN 0.587 nan 8.310 nan 0.000 0.383 462 L N 3.834 125.169 121.223 0.187 0.000 2.379 462 L HA 0.648 4.987 4.340 -0.001 0.000 0.269 462 L C 1.181 177.745 176.870 -0.509 0.000 1.084 462 L CA -0.099 54.701 54.840 -0.067 0.000 0.802 462 L CB 1.332 43.250 42.059 -0.235 0.000 1.175 462 L HN 0.770 nan 8.230 nan 0.000 0.448 463 S N 0.871 115.916 115.700 -1.091 0.000 2.589 463 S HA 0.146 4.616 4.470 -0.001 0.000 0.265 463 S C 1.155 175.442 174.600 -0.521 0.000 1.342 463 S CA -0.582 56.704 58.200 -1.523 0.000 1.005 463 S CB 0.505 62.890 63.200 -1.359 0.000 0.909 463 S HN 0.492 nan 8.310 nan 0.000 0.555 464 K N 1.085 121.329 120.400 -0.259 0.000 2.148 464 K HA -0.196 4.124 4.320 -0.001 0.000 0.213 464 K C 0.769 177.343 176.600 -0.044 0.000 1.050 464 K CA 2.122 58.378 56.287 -0.051 0.000 0.932 464 K CB -0.501 32.016 32.500 0.029 0.000 0.717 464 K HN 0.839 nan 8.250 nan 0.000 0.462 465 E N -1.305 118.846 120.200 -0.081 0.000 3.157 465 E HA 0.324 4.674 4.350 -0.001 0.000 0.203 465 E C -0.573 175.987 176.600 -0.068 0.000 0.982 465 E CA 0.184 56.562 56.400 -0.037 0.000 1.217 465 E CB 0.701 30.400 29.700 -0.001 0.000 1.123 465 E HN 0.246 nan 8.360 nan 0.000 0.457 466 A N 1.375 124.103 122.820 -0.153 0.000 2.799 466 A HA -0.337 3.983 4.320 -0.001 0.000 0.287 466 A C 1.465 178.955 177.584 -0.156 0.000 1.484 466 A CA 1.706 53.618 52.037 -0.208 0.000 0.813 466 A CB -1.642 17.253 19.000 -0.174 0.000 1.009 466 A HN 0.392 nan 8.150 nan 0.000 0.545 467 K N -1.782 118.498 120.400 -0.200 0.000 2.167 467 K HA 0.114 4.434 4.320 -0.001 0.000 0.203 467 K C 0.183 176.433 176.600 -0.582 0.000 1.052 467 K CA 1.303 57.394 56.287 -0.327 0.000 0.956 467 K CB 0.044 32.357 32.500 -0.312 0.000 0.735 467 K HN 0.673 nan 8.250 nan 0.000 0.451 468 Y N -0.999 119.195 120.300 -0.176 0.000 2.605 468 Y HA 0.339 4.888 4.550 -0.001 0.000 0.343 468 Y C -1.060 174.810 175.900 -0.051 0.000 1.036 468 Y CA -1.345 56.691 58.100 -0.106 0.000 1.065 468 Y CB 1.665 40.113 38.460 -0.019 0.000 1.288 468 Y HN -0.015 nan 8.280 nan 0.000 0.481 469 Y N -0.743 119.689 120.300 0.222 0.000 2.442 469 Y HA 0.444 4.993 4.550 -0.001 0.000 0.330 469 Y C -1.327 174.756 175.900 0.305 0.000 1.100 469 Y CA -1.437 56.764 58.100 0.168 0.000 1.034 469 Y CB 1.237 39.652 38.460 -0.075 0.000 1.285 469 Y HN 0.588 nan 8.280 nan 0.000 0.440 470 Q N 4.490 124.617 119.800 0.545 0.000 2.241 470 Q HA 0.547 4.887 4.340 -0.001 0.000 0.254 470 Q C -1.706 174.513 176.000 0.364 0.000 0.917 470 Q CA -0.667 55.364 55.803 0.381 0.000 0.919 470 Q CB 1.579 30.462 28.738 0.243 0.000 1.237 470 Q HN 1.026 nan 8.270 nan 0.000 0.434 471 L N 2.032 123.451 121.223 0.327 0.000 2.329 471 L HA 0.591 4.931 4.340 -0.001 0.000 0.279 471 L C 0.224 177.225 176.870 0.217 0.000 1.014 471 L CA -0.826 54.173 54.840 0.265 0.000 0.814 471 L CB 2.048 44.228 42.059 0.202 0.000 1.257 471 L HN 0.775 nan 8.230 nan 0.000 0.424 472 G N 1.515 110.421 108.800 0.176 0.000 2.588 472 G HA2 0.318 4.278 3.960 -0.001 0.000 0.312 472 G HA3 0.318 4.278 3.960 -0.001 0.000 0.312 472 G C -0.764 174.029 174.900 -0.177 0.000 1.257 472 G CA -0.303 44.712 45.100 -0.141 0.000 0.994 472 G HN 0.677 nan 8.290 nan 0.000 0.498 473 c N 5.201 123.549 118.600 -0.419 0.000 2.349 473 c HA 0.539 5.109 4.570 -0.001 0.000 0.348 473 c C 1.148 175.045 174.090 -0.322 0.000 1.223 473 c CA -0.844 55.213 56.329 -0.452 0.000 1.746 473 c CB -0.280 42.007 42.510 -0.372 0.000 2.360 473 c HN 0.730 nan 8.230 nan 0.000 0.533 474 R N 3.940 124.348 120.500 -0.154 0.000 2.365 474 R HA 0.221 4.560 4.340 -0.001 0.000 0.223 474 R C 1.405 177.716 176.300 0.018 0.000 0.899 474 R CA 0.367 56.481 56.100 0.024 0.000 1.059 474 R CB -1.074 29.341 30.300 0.191 0.000 1.086 474 R HN 0.893 nan 8.270 nan 0.000 0.522 475 G N 2.804 111.556 108.800 -0.079 0.000 3.168 475 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.238 475 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.238 475 G C -1.473 173.421 174.900 -0.010 0.000 1.256 475 G CA -0.609 44.450 45.100 -0.067 0.000 0.872 475 G HN 0.001 nan 8.290 nan 0.000 0.609 476 P HA -0.192 nan 4.420 nan 0.000 0.221 476 P C 1.555 178.871 177.300 0.027 0.000 1.160 476 P CA 2.012 65.134 63.100 0.036 0.000 0.933 476 P CB -0.202 31.509 31.700 0.018 0.000 0.793 477 G N -1.340 107.416 108.800 -0.073 0.000 2.570 477 G HA2 0.296 4.256 3.960 -0.001 0.000 0.276 477 G HA3 0.296 4.256 3.960 -0.001 0.000 0.276 477 G C -0.430 174.224 174.900 -0.410 0.000 1.346 477 G CA -0.634 44.344 45.100 -0.203 0.000 1.034 477 G HN 0.072 nan 8.290 nan 0.000 0.512 478 L N 2.027 122.916 121.223 -0.557 0.000 2.490 478 L HA 0.146 4.486 4.340 -0.001 0.000 0.274 478 L C -1.509 175.192 176.870 -0.281 0.000 1.201 478 L CA -1.213 53.233 54.840 -0.655 0.000 0.869 478 L CB 0.464 42.251 42.059 -0.453 0.000 1.123 478 L HN 0.339 nan 8.230 nan 0.000 0.484 479 P HA -0.038 nan 4.420 nan 0.000 0.261 479 P C -0.845 176.413 177.300 -0.069 0.000 1.173 479 P CA -0.030 63.041 63.100 -0.048 0.000 0.760 479 P CB 0.897 32.700 31.700 0.171 0.000 0.783 480 L N 5.764 126.841 121.223 -0.243 0.000 2.376 480 L HA 0.457 4.797 4.340 -0.001 0.000 0.275 480 L C -1.437 175.248 176.870 -0.308 0.000 0.987 480 L CA -0.909 53.839 54.840 -0.154 0.000 0.828 480 L CB 1.006 43.011 42.059 -0.090 0.000 1.249 480 L HN 0.170 nan 8.230 nan 0.000 0.409 481 Y N 2.843 123.154 120.300 0.017 0.000 2.331 481 Y HA 0.751 5.301 4.550 -0.001 0.000 0.338 481 Y C 0.469 176.328 175.900 -0.068 0.000 0.992 481 Y CA -0.546 57.560 58.100 0.010 0.000 1.121 481 Y CB 2.018 40.476 38.460 -0.003 0.000 1.184 481 Y HN 0.668 nan 8.280 nan 0.000 0.469 482 T N 1.875 116.491 114.554 0.104 0.000 2.900 482 T HA 0.739 5.088 4.350 -0.001 0.000 0.303 482 T C -1.131 173.607 174.700 0.062 0.000 1.142 482 T CA -0.988 61.114 62.100 0.003 0.000 1.007 482 T CB 1.537 70.416 68.868 0.018 0.000 1.156 482 T HN 0.700 nan 8.240 nan 0.000 0.490 483 L N 0.838 122.002 121.223 -0.098 0.000 2.346 483 L HA 0.936 5.275 4.340 -0.001 0.000 0.274 483 L C -1.344 175.424 176.870 -0.171 0.000 1.007 483 L CA -0.836 54.023 54.840 0.032 0.000 0.818 483 L CB 1.550 43.629 42.059 0.032 0.000 1.284 483 L HN 0.839 nan 8.230 nan 0.000 0.424 484 H N 1.033 119.915 119.070 -0.314 0.000 2.864 484 H HA 0.653 5.208 4.556 -0.001 0.000 0.354 484 H C -0.975 174.176 175.328 -0.296 0.000 1.208 484 H CA -0.938 54.858 56.048 -0.421 0.000 1.191 484 H CB 1.154 30.414 29.762 -0.836 0.000 1.889 484 H HN 0.680 nan 8.280 nan 0.000 0.574 485 R N -0.271 120.184 120.500 -0.075 0.000 2.265 485 R HA 0.486 4.825 4.340 -0.001 0.000 0.328 485 R C -0.132 176.106 176.300 -0.103 0.000 0.969 485 R CA -0.442 55.597 56.100 -0.102 0.000 0.832 485 R CB 1.120 31.385 30.300 -0.059 0.000 1.139 485 R HN 0.449 nan 8.270 nan 0.000 0.457 486 S N 2.109 117.763 115.700 -0.076 0.000 2.380 486 S HA -0.243 4.227 4.470 -0.001 0.000 0.229 486 S C 1.254 175.946 174.600 0.153 0.000 1.043 486 S CA 2.212 60.520 58.200 0.180 0.000 1.038 486 S CB -0.420 62.873 63.200 0.155 0.000 0.872 486 S HN 0.842 nan 8.310 nan 0.000 0.456 487 T N 2.207 116.786 114.554 0.042 0.000 2.565 487 T HA -0.223 4.127 4.350 -0.001 0.000 0.265 487 T C 1.387 176.127 174.700 0.068 0.000 1.082 487 T CA 1.945 64.078 62.100 0.055 0.000 1.173 487 T CB -0.609 68.258 68.868 0.000 0.000 0.864 487 T HN 0.816 nan 8.240 nan 0.000 0.425 488 D N -0.483 119.943 120.400 0.044 0.000 2.469 488 D HA 0.278 4.918 4.640 -0.001 0.000 0.213 488 D C 0.574 176.905 176.300 0.052 0.000 1.135 488 D CA -0.195 53.828 54.000 0.039 0.000 0.834 488 D CB -0.065 40.748 40.800 0.022 0.000 1.009 488 D HN 0.257 nan 8.370 nan 0.000 0.507 489 Q N -0.546 119.304 119.800 0.083 0.000 2.374 489 Q HA -0.235 4.104 4.340 -0.001 0.000 0.218 489 Q C -0.181 175.886 176.000 0.113 0.000 0.691 489 Q CA 1.088 56.966 55.803 0.125 0.000 1.340 489 Q CB -1.965 26.849 28.738 0.127 0.000 1.498 489 Q HN 0.500 nan 8.270 nan 0.000 0.739 490 K N 2.041 122.466 120.400 0.042 0.000 2.367 490 K HA -0.058 4.262 4.320 -0.001 0.000 0.275 490 K C -0.161 176.403 176.600 -0.061 0.000 1.125 490 K CA 0.330 56.619 56.287 0.004 0.000 1.133 490 K CB 0.192 32.688 32.500 -0.008 0.000 0.875 490 K HN 0.262 nan 8.250 nan 0.000 0.467 491 E N 5.963 126.086 120.200 -0.128 0.000 2.168 491 E HA -0.089 4.260 4.350 -0.001 0.000 0.254 491 E C 0.722 177.156 176.600 -0.277 0.000 1.228 491 E CA -0.180 55.946 56.400 -0.456 0.000 0.956 491 E CB 0.145 29.598 29.700 -0.412 0.000 1.031 491 E HN 0.672 nan 8.360 nan 0.000 0.441 492 L N 4.414 125.499 121.223 -0.231 0.000 2.013 492 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 492 L C 1.353 178.145 176.870 -0.131 0.000 1.073 492 L CA 1.518 56.283 54.840 -0.124 0.000 0.753 492 L CB -0.704 41.313 42.059 -0.068 0.000 0.890 492 L HN 0.626 nan 8.230 nan 0.000 0.432 493 R N -2.439 117.953 120.500 -0.181 0.000 2.764 493 R HA 0.490 4.829 4.340 -0.001 0.000 0.276 493 R C -1.608 174.578 176.300 -0.190 0.000 1.021 493 R CA -0.977 55.031 56.100 -0.153 0.000 0.870 493 R CB 1.555 31.790 30.300 -0.107 0.000 1.293 493 R HN -0.290 nan 8.270 nan 0.000 0.469 494 V N 2.563 122.384 119.914 -0.155 0.000 2.333 494 V HA 0.213 4.333 4.120 -0.001 0.000 0.274 494 V C 1.268 177.231 176.094 -0.219 0.000 1.028 494 V CA -0.497 61.711 62.300 -0.153 0.000 0.851 494 V CB 1.130 32.897 31.823 -0.094 0.000 1.000 494 V HN 0.619 nan 8.190 nan 0.000 0.456 495 L N 2.871 123.890 121.223 -0.340 0.000 2.179 495 L HA 0.184 4.523 4.340 -0.001 0.000 0.208 495 L C 0.752 177.331 176.870 -0.486 0.000 1.096 495 L CA 0.909 55.326 54.840 -0.704 0.000 0.779 495 L CB 0.140 41.442 42.059 -1.263 0.000 0.922 495 L HN 0.688 nan 8.230 nan 0.000 0.443 496 E N 0.597 120.700 120.200 -0.162 0.000 2.677 496 E HA 0.123 4.472 4.350 -0.001 0.000 0.330 496 E C -1.937 174.732 176.600 0.115 0.000 0.933 496 E CA -0.574 55.834 56.400 0.014 0.000 0.797 496 E CB 0.878 30.626 29.700 0.080 0.000 1.326 496 E HN 0.157 nan 8.360 nan 0.000 0.404 497 D N 2.769 123.205 120.400 0.060 0.000 2.505 497 D HA 0.261 4.900 4.640 -0.001 0.000 0.249 497 D C -0.546 175.782 176.300 0.047 0.000 1.082 497 D CA -0.798 53.227 54.000 0.043 0.000 0.839 497 D CB 1.177 41.979 40.800 0.004 0.000 1.317 497 D HN 0.361 nan 8.370 nan 0.000 0.497 498 N N 0.705 119.428 118.700 0.040 0.000 3.210 498 N HA -0.020 4.720 4.740 -0.001 0.000 0.314 498 N C 1.412 176.932 175.510 0.016 0.000 1.291 498 N CA -0.031 53.043 53.050 0.040 0.000 1.202 498 N CB 0.218 38.727 38.487 0.038 0.000 1.475 498 N HN 0.421 nan 8.380 nan 0.000 0.554 499 S N -0.524 115.188 115.700 0.019 0.000 2.370 499 S HA -0.272 4.197 4.470 -0.001 0.000 0.226 499 S C 2.129 176.747 174.600 0.030 0.000 1.033 499 S CA 0.944 59.153 58.200 0.014 0.000 1.011 499 S CB -0.369 62.840 63.200 0.015 0.000 0.852 499 S HN 0.447 nan 8.310 nan 0.000 0.457 500 A N 2.395 125.243 122.820 0.047 0.000 1.851 500 A HA 0.010 4.330 4.320 -0.001 0.000 0.216 500 A C 2.288 179.924 177.584 0.085 0.000 1.195 500 A CA 1.764 53.839 52.037 0.064 0.000 0.622 500 A CB -1.108 17.934 19.000 0.070 0.000 0.831 500 A HN 0.584 nan 8.150 nan 0.000 0.444 501 L N 0.188 121.467 121.223 0.094 0.000 2.127 501 L HA -0.172 4.168 4.340 -0.001 0.000 0.211 501 L C 1.879 178.792 176.870 0.072 0.000 1.089 501 L CA 2.714 57.630 54.840 0.126 0.000 0.757 501 L CB -0.662 41.472 42.059 0.125 0.000 0.899 501 L HN 0.510 nan 8.230 nan 0.000 0.434 502 D N -0.022 120.392 120.400 0.023 0.000 2.097 502 D HA -0.213 4.426 4.640 -0.001 0.000 0.197 502 D C 2.181 178.488 176.300 0.012 0.000 0.984 502 D CA 1.967 55.958 54.000 -0.014 0.000 0.826 502 D CB 0.315 41.097 40.800 -0.031 0.000 0.973 502 D HN 0.442 nan 8.370 nan 0.000 0.460 503 K N 1.052 121.474 120.400 0.036 0.000 2.063 503 K HA -0.106 4.213 4.320 -0.001 0.000 0.208 503 K C 2.309 178.954 176.600 0.075 0.000 1.048 503 K CA 1.631 57.947 56.287 0.047 0.000 0.928 503 K CB -0.913 31.618 32.500 0.051 0.000 0.713 503 K HN 0.234 nan 8.250 nan 0.000 0.442 504 M N 0.097 119.768 119.600 0.119 0.000 2.086 504 M HA -0.003 4.477 4.480 -0.001 0.000 0.261 504 M C 2.344 178.739 176.300 0.158 0.000 1.067 504 M CA 1.385 56.814 55.300 0.216 0.000 1.116 504 M CB -0.503 32.318 32.600 0.368 0.000 1.348 504 M HN 0.273 nan 8.290 nan 0.000 0.407 505 L N 0.070 121.299 121.223 0.011 0.000 2.622 505 L HA -0.156 4.184 4.340 -0.001 0.000 0.233 505 L C 2.447 179.276 176.870 -0.069 0.000 1.156 505 L CA 0.172 54.924 54.840 -0.146 0.000 0.866 505 L CB -0.545 41.398 42.059 -0.194 0.000 0.980 505 L HN 0.356 nan 8.230 nan 0.000 0.448 506 Q N 0.255 120.052 119.800 -0.005 0.000 2.079 506 Q HA -0.144 4.196 4.340 -0.001 0.000 0.200 506 Q C 1.072 177.086 176.000 0.025 0.000 0.974 506 Q CA 1.262 57.070 55.803 0.008 0.000 0.840 506 Q CB -0.158 28.594 28.738 0.024 0.000 0.898 506 Q HN 0.560 nan 8.270 nan 0.000 0.430 507 D N 0.412 120.845 120.400 0.054 0.000 2.323 507 D HA 0.068 4.708 4.640 -0.001 0.000 0.239 507 D C -0.125 176.222 176.300 0.079 0.000 1.129 507 D CA 0.135 54.179 54.000 0.074 0.000 0.865 507 D CB 0.551 41.412 40.800 0.102 0.000 0.913 507 D HN -0.046 nan 8.370 nan 0.000 0.517 508 V N 0.618 120.551 119.914 0.031 0.000 2.709 508 V HA 0.155 4.275 4.120 -0.001 0.000 0.308 508 V C 0.102 176.185 176.094 -0.017 0.000 1.062 508 V CA -0.972 61.341 62.300 0.022 0.000 0.901 508 V CB 2.580 34.373 31.823 -0.048 0.000 1.003 508 V HN -0.147 nan 8.190 nan 0.000 0.425 509 Q N 4.051 123.852 119.800 0.001 0.000 2.664 509 Q HA 0.322 4.661 4.340 -0.001 0.000 0.223 509 Q C -0.345 175.597 176.000 -0.097 0.000 1.298 509 Q CA -0.216 55.552 55.803 -0.057 0.000 0.965 509 Q CB 0.370 29.076 28.738 -0.053 0.000 1.510 509 Q HN 0.547 nan 8.270 nan 0.000 0.567 510 M N 3.431 122.958 119.600 -0.121 0.000 2.243 510 M HA 0.258 4.738 4.480 -0.001 0.000 0.341 510 M C -1.909 174.304 176.300 -0.145 0.000 1.130 510 M CA -1.856 53.355 55.300 -0.147 0.000 1.162 510 M CB -0.173 32.335 32.600 -0.153 0.000 1.497 510 M HN 0.275 nan 8.290 nan 0.000 0.456 511 P HA 0.293 nan 4.420 nan 0.000 0.280 511 P C -0.822 176.401 177.300 -0.128 0.000 1.272 511 P CA -0.394 62.615 63.100 -0.152 0.000 0.819 511 P CB 0.818 32.421 31.700 -0.162 0.000 1.122 512 S N -0.391 115.225 115.700 -0.140 0.000 2.745 512 S HA 0.604 5.073 4.470 -0.001 0.000 0.292 512 S C -0.379 174.149 174.600 -0.121 0.000 1.127 512 S CA -0.698 57.437 58.200 -0.108 0.000 1.007 512 S CB 1.228 64.368 63.200 -0.099 0.000 1.165 512 S HN 0.559 nan 8.310 nan 0.000 0.544 513 K N 0.492 120.841 120.400 -0.085 0.000 2.687 513 K HA 0.289 4.609 4.320 -0.001 0.000 0.249 513 K C -1.480 175.085 176.600 -0.057 0.000 0.994 513 K CA -0.350 55.891 56.287 -0.076 0.000 0.913 513 K CB 1.239 33.715 32.500 -0.039 0.000 1.202 513 K HN 0.661 nan 8.250 nan 0.000 0.460 514 K N 4.381 124.733 120.400 -0.080 0.000 2.172 514 K HA 0.269 4.588 4.320 -0.001 0.000 0.276 514 K C -1.172 175.386 176.600 -0.069 0.000 1.013 514 K CA -0.688 55.562 56.287 -0.062 0.000 0.913 514 K CB 0.822 33.283 32.500 -0.065 0.000 1.055 514 K HN 0.462 nan 8.250 nan 0.000 0.461 515 L N 4.943 126.144 121.223 -0.037 0.000 2.417 515 L HA 0.386 4.725 4.340 -0.001 0.000 0.259 515 L C -0.976 175.916 176.870 0.036 0.000 1.023 515 L CA 0.040 54.892 54.840 0.020 0.000 0.901 515 L CB 0.747 42.893 42.059 0.146 0.000 1.227 515 L HN 0.715 nan 8.230 nan 0.000 0.454 516 D N 2.620 122.806 120.400 -0.357 0.000 2.808 516 D HA 0.546 5.185 4.640 -0.001 0.000 0.249 516 D C -1.448 174.506 176.300 -0.577 0.000 1.151 516 D CA -0.053 53.689 54.000 -0.430 0.000 1.089 516 D CB 2.193 42.766 40.800 -0.378 0.000 1.295 516 D HN 0.222 nan 8.370 nan 0.000 0.631 517 F N -0.012 119.610 119.950 -0.546 0.000 2.628 517 F HA 0.515 5.041 4.527 -0.001 0.000 0.309 517 F C -1.563 174.313 175.800 0.127 0.000 1.108 517 F CA -1.057 56.762 58.000 -0.302 0.000 0.971 517 F CB 0.980 39.255 39.000 -1.208 0.000 1.279 517 F HN 0.071 nan 8.300 nan 0.000 0.441 518 I N 3.190 124.000 120.570 0.400 0.000 2.793 518 I HA 0.718 4.887 4.170 -0.001 0.000 0.313 518 I C -1.224 175.114 176.117 0.368 0.000 0.998 518 I CA -1.201 60.218 61.300 0.199 0.000 1.140 518 I CB 2.101 40.157 38.000 0.093 0.000 1.327 518 I HN 0.747 nan 8.210 nan 0.000 0.491 519 V N 7.278 127.346 119.914 0.258 0.000 2.444 519 V HA 0.546 4.665 4.120 -0.001 0.000 0.294 519 V C -1.116 175.136 176.094 0.264 0.000 1.022 519 V CA -0.426 62.065 62.300 0.318 0.000 0.850 519 V CB 1.650 33.627 31.823 0.257 0.000 0.992 519 V HN 0.597 nan 8.190 nan 0.000 0.426 520 L N 5.248 126.707 121.223 0.392 0.000 2.319 520 L HA 0.637 4.976 4.340 -0.001 0.000 0.267 520 L C 0.870 177.905 176.870 0.276 0.000 1.011 520 L CA -1.083 53.924 54.840 0.279 0.000 0.818 520 L CB 1.683 43.885 42.059 0.239 0.000 1.316 520 L HN 0.669 nan 8.230 nan 0.000 0.432 521 N N 2.245 121.045 118.700 0.166 0.000 2.685 521 N HA -0.242 4.497 4.740 -0.001 0.000 0.251 521 N C -0.288 175.305 175.510 0.137 0.000 1.020 521 N CA 1.443 54.575 53.050 0.137 0.000 0.762 521 N CB -0.660 37.913 38.487 0.142 0.000 0.958 521 N HN 0.760 nan 8.380 nan 0.000 0.539 522 E N -3.398 116.880 120.200 0.129 0.000 2.759 522 E HA -0.178 4.171 4.350 -0.001 0.000 0.280 522 E C -0.687 175.961 176.600 0.081 0.000 1.009 522 E CA 0.959 57.417 56.400 0.097 0.000 0.849 522 E CB -1.805 27.936 29.700 0.069 0.000 1.415 522 E HN 0.400 nan 8.360 nan 0.000 0.412 523 T N 0.079 114.694 114.554 0.102 0.000 2.909 523 T HA 0.396 4.746 4.350 -0.001 0.000 0.299 523 T C -0.011 174.600 174.700 -0.149 0.000 1.073 523 T CA -0.843 61.219 62.100 -0.064 0.000 0.999 523 T CB 1.973 70.741 68.868 -0.165 0.000 1.098 523 T HN 0.029 nan 8.240 nan 0.000 0.477 524 R N 1.212 121.557 120.500 -0.258 0.000 2.543 524 R HA 0.416 4.755 4.340 -0.001 0.000 0.277 524 R C -1.104 174.940 176.300 -0.426 0.000 1.074 524 R CA 0.148 56.115 56.100 -0.222 0.000 1.076 524 R CB 0.367 30.439 30.300 -0.379 0.000 0.993 524 R HN 0.528 nan 8.270 nan 0.000 0.459 525 F N 2.156 122.257 119.950 0.251 0.000 2.745 525 F HA 0.201 4.727 4.527 -0.001 0.000 0.343 525 F C -0.701 175.298 175.800 0.332 0.000 1.196 525 F CA -0.801 57.346 58.000 0.246 0.000 1.021 525 F CB 0.942 40.123 39.000 0.303 0.000 1.297 525 F HN 0.426 nan 8.300 nan 0.000 0.486 526 W N 3.984 125.461 121.300 0.294 0.000 2.202 526 W HA 0.412 5.071 4.660 -0.001 0.000 0.332 526 W C -0.264 176.496 176.519 0.401 0.000 1.263 526 W CA -0.322 57.228 57.345 0.343 0.000 1.223 526 W CB 0.348 29.916 29.460 0.180 0.000 1.128 526 W HN 0.448 nan 8.180 nan 0.000 0.573 527 Y N -0.443 120.207 120.300 0.583 0.000 2.655 527 Y HA 0.699 5.248 4.550 -0.001 0.000 0.336 527 Y C -1.064 175.099 175.900 0.438 0.000 1.154 527 Y CA -1.849 56.604 58.100 0.589 0.000 1.055 527 Y CB 1.182 40.160 38.460 0.862 0.000 1.295 527 Y HN 0.551 nan 8.280 nan 0.000 0.465 528 Q N 1.571 121.625 119.800 0.424 0.000 2.418 528 Q HA 0.758 5.097 4.340 -0.001 0.000 0.282 528 Q C -1.952 174.169 176.000 0.201 0.000 1.044 528 Q CA -1.141 54.760 55.803 0.164 0.000 0.813 528 Q CB 3.315 32.135 28.738 0.137 0.000 1.428 528 Q HN 0.842 nan 8.270 nan 0.000 0.402 529 M N 2.087 121.721 119.600 0.056 0.000 2.386 529 M HA 0.472 4.951 4.480 -0.001 0.000 0.293 529 M C -1.298 174.927 176.300 -0.125 0.000 1.120 529 M CA -0.932 54.338 55.300 -0.050 0.000 0.909 529 M CB 2.324 34.861 32.600 -0.105 0.000 1.661 529 M HN 0.580 nan 8.290 nan 0.000 0.452 530 I N 4.797 125.280 120.570 -0.145 0.000 2.291 530 I HA 0.358 4.527 4.170 -0.001 0.000 0.290 530 I C -0.495 175.449 176.117 -0.290 0.000 1.050 530 I CA -0.358 60.839 61.300 -0.173 0.000 1.245 530 I CB 0.306 38.233 38.000 -0.122 0.000 1.405 530 I HN 0.642 nan 8.210 nan 0.000 0.478 531 L N 8.784 129.778 121.223 -0.381 0.000 2.276 531 L HA 0.399 4.739 4.340 -0.001 0.000 0.286 531 L C -1.950 174.678 176.870 -0.403 0.000 1.061 531 L CA -1.763 52.714 54.840 -0.604 0.000 0.807 531 L CB 0.938 42.487 42.059 -0.850 0.000 1.177 531 L HN 0.306 nan 8.230 nan 0.000 0.429 532 P HA 0.090 nan 4.420 nan 0.000 0.269 532 P C -2.345 174.867 177.300 -0.148 0.000 1.209 532 P CA -0.905 62.063 63.100 -0.220 0.000 0.776 532 P CB 0.300 31.899 31.700 -0.168 0.000 0.876 533 P HA -0.254 nan 4.420 nan 0.000 0.246 533 P C 0.849 178.021 177.300 -0.213 0.000 0.850 533 P CA 1.628 64.563 63.100 -0.276 0.000 1.109 533 P CB -0.768 30.695 31.700 -0.395 0.000 0.744 534 H N -1.311 117.792 119.070 0.055 0.000 4.196 534 H HA 0.007 4.562 4.556 -0.001 0.000 0.236 534 H C 0.426 175.809 175.328 0.091 0.000 1.023 534 H CA -0.191 55.891 56.048 0.057 0.000 1.251 534 H CB -2.043 27.743 29.762 0.040 0.000 1.343 534 H HN 0.117 nan 8.280 nan 0.000 0.815 535 F N 2.858 122.790 119.950 -0.030 0.000 2.512 535 F HA -0.100 4.427 4.527 -0.001 0.000 0.406 535 F C 0.319 176.119 175.800 -0.001 0.000 0.990 535 F CA -0.461 57.479 58.000 -0.099 0.000 1.137 535 F CB 0.242 39.063 39.000 -0.299 0.000 0.960 535 F HN 0.124 nan 8.300 nan 0.000 0.533 536 D N 5.509 125.658 120.400 -0.418 0.000 2.441 536 D HA 0.156 4.795 4.640 -0.001 0.000 0.231 536 D C 0.820 176.728 176.300 -0.653 0.000 1.073 536 D CA -0.487 53.255 54.000 -0.430 0.000 0.850 536 D CB 1.224 41.952 40.800 -0.121 0.000 1.062 536 D HN 0.616 nan 8.370 nan 0.000 0.524 537 K N 1.547 121.469 120.400 -0.796 0.000 2.444 537 K HA -0.165 4.154 4.320 -0.001 0.000 0.200 537 K C 1.475 178.026 176.600 -0.083 0.000 1.045 537 K CA 1.629 57.610 56.287 -0.510 0.000 0.934 537 K CB 0.175 32.503 32.500 -0.287 0.000 0.756 537 K HN 0.486 nan 8.250 nan 0.000 0.477 538 S N -0.811 114.830 115.700 -0.099 0.000 2.456 538 S HA 0.075 4.545 4.470 -0.001 0.000 0.224 538 S C 0.732 175.320 174.600 -0.021 0.000 1.035 538 S CA -0.168 58.016 58.200 -0.027 0.000 0.940 538 S CB 0.147 63.318 63.200 -0.048 0.000 0.799 538 S HN 0.076 nan 8.310 nan 0.000 0.508 539 K N 1.175 121.537 120.400 -0.064 0.000 2.233 539 K HA 0.325 4.645 4.320 -0.001 0.000 0.239 539 K C -0.364 176.169 176.600 -0.112 0.000 1.064 539 K CA 0.068 56.267 56.287 -0.147 0.000 0.884 539 K CB 0.267 32.588 32.500 -0.298 0.000 1.166 539 K HN 0.146 nan 8.250 nan 0.000 0.512 540 K N 1.394 121.634 120.400 -0.268 0.000 2.471 540 K HA 0.284 4.603 4.320 -0.001 0.000 0.252 540 K C -1.397 175.024 176.600 -0.298 0.000 0.938 540 K CA -0.553 55.655 56.287 -0.131 0.000 0.796 540 K CB 1.299 33.755 32.500 -0.073 0.000 1.161 540 K HN 0.354 nan 8.250 nan 0.000 0.425 541 Y N 1.715 122.053 120.300 0.064 0.000 2.567 541 Y HA 0.407 4.957 4.550 -0.001 0.000 0.333 541 Y C -2.099 173.728 175.900 -0.122 0.000 1.106 541 Y CA -2.680 55.413 58.100 -0.011 0.000 1.157 541 Y CB 0.685 39.184 38.460 0.066 0.000 1.277 541 Y HN 0.428 nan 8.280 nan 0.000 0.490 542 P HA 0.235 nan 4.420 nan 0.000 0.281 542 P C -1.307 175.865 177.300 -0.212 0.000 1.249 542 P CA -0.267 62.569 63.100 -0.440 0.000 0.810 542 P CB 1.878 32.894 31.700 -1.140 0.000 1.008 543 L N 3.392 124.547 121.223 -0.114 0.000 2.346 543 L HA 0.571 4.910 4.340 -0.001 0.000 0.276 543 L C -1.267 175.751 176.870 0.247 0.000 1.006 543 L CA -0.893 53.978 54.840 0.053 0.000 0.817 543 L CB 1.428 43.508 42.059 0.036 0.000 1.272 543 L HN 0.172 nan 8.230 nan 0.000 0.421 544 L N 6.052 127.420 121.223 0.241 0.000 2.343 544 L HA 0.578 4.918 4.340 -0.001 0.000 0.278 544 L C -1.120 175.959 176.870 0.347 0.000 0.996 544 L CA -0.251 54.796 54.840 0.344 0.000 0.831 544 L CB 1.251 43.471 42.059 0.270 0.000 1.232 544 L HN 0.431 nan 8.230 nan 0.000 0.413 545 I N 4.230 125.065 120.570 0.442 0.000 2.342 545 I HA 0.238 4.408 4.170 -0.001 0.000 0.291 545 I C -0.003 176.375 176.117 0.436 0.000 1.010 545 I CA -0.137 61.420 61.300 0.428 0.000 1.308 545 I CB 1.139 39.429 38.000 0.482 0.000 1.400 545 I HN 0.601 nan 8.210 nan 0.000 0.488 546 D N 7.144 127.767 120.400 0.372 0.000 2.317 546 D HA 0.390 5.030 4.640 -0.001 0.000 0.234 546 D C -0.779 175.619 176.300 0.163 0.000 1.112 546 D CA -0.144 54.015 54.000 0.266 0.000 0.840 546 D CB 1.449 42.450 40.800 0.335 0.000 1.078 546 D HN 0.149 nan 8.370 nan 0.000 0.486 547 V N 4.605 124.534 119.914 0.025 0.000 2.815 547 V HA 0.381 4.501 4.120 -0.001 0.000 0.314 547 V C -0.158 176.052 176.094 0.192 0.000 1.064 547 V CA -0.703 61.679 62.300 0.137 0.000 0.952 547 V CB 1.776 33.688 31.823 0.149 0.000 1.020 547 V HN 0.628 nan 8.190 nan 0.000 0.439 548 Y N 2.099 122.471 120.300 0.120 0.000 3.211 548 Y HA 0.496 5.045 4.550 -0.001 0.000 0.149 548 Y C 1.405 177.422 175.900 0.194 0.000 0.903 548 Y CA 0.660 58.851 58.100 0.152 0.000 1.888 548 Y CB -0.301 38.217 38.460 0.096 0.000 1.355 548 Y HN 1.014 nan 8.280 nan 0.000 0.280 549 A N 1.581 124.352 122.820 -0.081 0.000 2.799 549 A HA -0.075 4.244 4.320 -0.001 0.000 0.287 549 A C 0.817 178.127 177.584 -0.458 0.000 1.484 549 A CA 1.349 53.278 52.037 -0.180 0.000 0.813 549 A CB -2.225 16.832 19.000 0.096 0.000 1.009 549 A HN 1.123 nan 8.150 nan 0.000 0.545 550 G N -1.273 106.804 108.800 -1.204 0.000 2.547 550 G HA2 0.581 4.541 3.960 -0.001 0.000 0.291 550 G HA3 0.581 4.541 3.960 -0.001 0.000 0.291 550 G C -2.502 171.867 174.900 -0.884 0.000 1.211 550 G CA -1.447 42.669 45.100 -1.639 0.000 0.950 550 G HN 0.267 nan 8.290 nan 0.000 0.504 551 P HA 0.081 nan 4.420 nan 0.000 0.265 551 P C 0.578 177.642 177.300 -0.394 0.000 1.193 551 P CA 0.117 62.868 63.100 -0.581 0.000 0.765 551 P CB 0.743 31.740 31.700 -1.172 0.000 0.823 552 C N 2.559 121.702 119.300 -0.262 0.000 4.268 552 C HA -0.140 4.319 4.460 -0.001 0.000 0.299 552 C C 0.828 175.742 174.990 -0.126 0.000 1.429 552 C CA 1.049 59.902 59.018 -0.275 0.000 2.018 552 C CB -2.811 24.680 27.740 -0.416 0.000 1.277 552 C HN 0.770 nan 8.230 nan 0.000 0.767 553 S N -0.045 115.544 115.700 -0.185 0.000 2.713 553 S HA 0.696 5.166 4.470 -0.001 0.000 0.283 553 S C -0.729 173.904 174.600 0.056 0.000 1.161 553 S CA -0.158 57.972 58.200 -0.117 0.000 0.999 553 S CB 1.814 64.490 63.200 -0.873 0.000 1.039 553 S HN 0.836 nan 8.310 nan 0.000 0.548 554 Q N 0.024 119.964 119.800 0.234 0.000 2.334 554 Q HA 0.329 4.668 4.340 -0.001 0.000 0.249 554 Q C -0.770 175.385 176.000 0.258 0.000 0.909 554 Q CA -0.615 55.342 55.803 0.257 0.000 0.823 554 Q CB 1.081 30.047 28.738 0.380 0.000 1.353 554 Q HN 0.690 nan 8.270 nan 0.000 0.433 555 K N 0.738 121.272 120.400 0.224 0.000 2.354 555 K HA 0.299 4.618 4.320 -0.001 0.000 0.194 555 K C 0.031 176.747 176.600 0.194 0.000 1.045 555 K CA 0.426 56.847 56.287 0.224 0.000 1.026 555 K CB 1.169 33.819 32.500 0.251 0.000 0.866 555 K HN 0.493 nan 8.250 nan 0.000 0.530 556 A N 3.093 126.036 122.820 0.205 0.000 2.366 556 A HA 0.366 4.686 4.320 -0.001 0.000 0.322 556 A C -0.750 176.919 177.584 0.142 0.000 1.397 556 A CA -0.440 51.722 52.037 0.209 0.000 0.984 556 A CB -0.230 18.956 19.000 0.310 0.000 1.149 556 A HN 0.278 nan 8.150 nan 0.000 0.540 557 D N 0.332 120.778 120.400 0.078 0.000 2.626 557 D HA 0.542 5.181 4.640 -0.001 0.000 0.278 557 D C -0.024 176.260 176.300 -0.027 0.000 1.211 557 D CA -0.015 53.999 54.000 0.022 0.000 0.903 557 D CB 1.231 42.008 40.800 -0.039 0.000 1.408 557 D HN 0.231 nan 8.370 nan 0.000 0.454 558 A N -0.529 122.279 122.820 -0.020 0.000 2.476 558 A HA 0.636 4.955 4.320 -0.001 0.000 0.263 558 A C 0.427 177.942 177.584 -0.115 0.000 1.342 558 A CA 0.050 52.086 52.037 -0.002 0.000 0.926 558 A CB -1.032 18.032 19.000 0.106 0.000 1.019 558 A HN 0.714 nan 8.150 nan 0.000 0.515 559 A N -0.185 122.437 122.820 -0.330 0.000 2.301 559 A HA 0.604 4.924 4.320 -0.001 0.000 0.312 559 A C -0.406 177.116 177.584 -0.104 0.000 1.182 559 A CA -0.528 51.307 52.037 -0.336 0.000 0.826 559 A CB 0.109 18.718 19.000 -0.652 0.000 1.134 559 A HN 0.590 nan 8.150 nan 0.000 0.501 560 F N 2.653 122.529 119.950 -0.124 0.000 2.443 560 F HA 0.592 5.119 4.527 -0.001 0.000 0.353 560 F C 0.522 176.295 175.800 -0.046 0.000 1.101 560 F CA 0.321 58.276 58.000 -0.076 0.000 1.226 560 F CB 0.504 39.468 39.000 -0.059 0.000 1.140 560 F HN 0.636 nan 8.300 nan 0.000 0.557 561 R N 5.346 125.195 120.500 -1.085 0.000 2.707 561 R HA 0.548 4.887 4.340 -0.001 0.000 0.272 561 R C -1.750 174.058 176.300 -0.821 0.000 1.011 561 R CA -1.016 54.617 56.100 -0.778 0.000 0.893 561 R CB 1.954 32.070 30.300 -0.306 0.000 1.233 561 R HN 0.701 nan 8.270 nan 0.000 0.464 562 L N 3.670 124.644 121.223 -0.416 0.000 2.433 562 L HA 0.367 4.707 4.340 -0.001 0.000 0.256 562 L C -0.859 176.104 176.870 0.155 0.000 1.063 562 L CA -0.609 54.128 54.840 -0.171 0.000 0.922 562 L CB 0.645 42.684 42.059 -0.034 0.000 1.238 562 L HN 0.715 nan 8.230 nan 0.000 0.466 563 N N -0.795 117.977 118.700 0.120 0.000 3.184 563 N HA 0.230 4.970 4.740 -0.001 0.000 0.353 563 N C 0.394 175.773 175.510 -0.219 0.000 1.441 563 N CA -0.847 52.288 53.050 0.142 0.000 0.723 563 N CB 0.222 38.785 38.487 0.127 0.000 1.547 563 N HN 0.229 nan 8.380 nan 0.000 0.624 564 W N 0.213 120.997 121.300 -0.860 0.000 2.363 564 W HA 0.157 4.816 4.660 -0.001 0.000 0.296 564 W C 2.040 178.470 176.519 -0.149 0.000 1.212 564 W CA 2.371 59.236 57.345 -0.799 0.000 1.260 564 W CB -0.967 28.104 29.460 -0.649 0.000 1.131 564 W HN 0.664 nan 8.180 nan 0.000 0.530 565 A N -0.484 122.314 122.820 -0.036 0.000 2.024 565 A HA -0.195 4.125 4.320 -0.001 0.000 0.220 565 A C 1.923 179.437 177.584 -0.117 0.000 1.164 565 A CA 2.357 54.322 52.037 -0.120 0.000 0.643 565 A CB -1.197 17.823 19.000 0.033 0.000 0.806 565 A HN 0.303 nan 8.150 nan 0.000 0.451 566 T N -1.384 113.153 114.554 -0.028 0.000 2.708 566 T HA -0.176 4.174 4.350 -0.001 0.000 0.266 566 T C 1.810 176.604 174.700 0.157 0.000 1.037 566 T CA 1.662 63.765 62.100 0.004 0.000 1.146 566 T CB -0.477 68.361 68.868 -0.050 0.000 0.865 566 T HN 0.682 nan 8.240 nan 0.000 0.435 567 Y N 2.020 122.428 120.300 0.180 0.000 2.181 567 Y HA -0.054 4.496 4.550 -0.001 0.000 0.288 567 Y C 1.957 177.808 175.900 -0.082 0.000 1.146 567 Y CA 1.031 59.191 58.100 0.101 0.000 1.164 567 Y CB -0.712 37.726 38.460 -0.037 0.000 0.982 567 Y HN 0.112 nan 8.280 nan 0.000 0.515 568 L N -0.048 120.850 121.223 -0.542 0.000 2.187 568 L HA -0.219 4.121 4.340 -0.001 0.000 0.213 568 L C 2.642 179.265 176.870 -0.412 0.000 1.100 568 L CA 1.237 55.680 54.840 -0.662 0.000 0.765 568 L CB -0.763 40.916 42.059 -0.633 0.000 0.904 568 L HN 0.471 nan 8.230 nan 0.000 0.437 569 A N -1.552 121.100 122.820 -0.280 0.000 1.901 569 A HA -0.100 4.220 4.320 -0.001 0.000 0.210 569 A C 2.381 179.867 177.584 -0.164 0.000 1.208 569 A CA 1.041 52.954 52.037 -0.208 0.000 0.644 569 A CB -0.383 18.499 19.000 -0.198 0.000 0.863 569 A HN 0.257 nan 8.150 nan 0.000 0.454 570 S N -1.040 114.587 115.700 -0.122 0.000 2.507 570 S HA -0.049 4.420 4.470 -0.001 0.000 0.235 570 S C 1.250 175.821 174.600 -0.049 0.000 0.988 570 S CA 1.938 60.106 58.200 -0.053 0.000 0.944 570 S CB -0.165 63.070 63.200 0.058 0.000 0.762 570 S HN 0.536 nan 8.310 nan 0.000 0.526 571 T N -0.180 114.278 114.554 -0.159 0.000 3.028 571 T HA 0.251 4.600 4.350 -0.001 0.000 0.262 571 T C 0.812 175.406 174.700 -0.177 0.000 0.916 571 T CA -0.263 61.752 62.100 -0.142 0.000 0.873 571 T CB 0.322 69.114 68.868 -0.126 0.000 1.232 571 T HN 0.219 nan 8.240 nan 0.000 0.529 572 E N 1.531 121.571 120.200 -0.266 0.000 2.526 572 E HA 0.234 4.584 4.350 -0.001 0.000 0.208 572 E C -0.031 176.528 176.600 -0.069 0.000 0.997 572 E CA -0.087 56.213 56.400 -0.166 0.000 0.961 572 E CB 0.221 29.781 29.700 -0.234 0.000 1.030 572 E HN 0.258 nan 8.360 nan 0.000 0.483 573 N N 1.087 119.752 118.700 -0.058 0.000 2.727 573 N HA -0.197 4.543 4.740 -0.001 0.000 0.249 573 N C -0.498 175.049 175.510 0.062 0.000 1.048 573 N CA 0.754 53.836 53.050 0.052 0.000 0.714 573 N CB -1.472 37.123 38.487 0.180 0.000 0.959 573 N HN 0.310 nan 8.380 nan 0.000 0.544 574 I N 0.802 121.334 120.570 -0.063 0.000 2.460 574 I HA 0.359 4.528 4.170 -0.001 0.000 0.298 574 I C 0.946 176.990 176.117 -0.122 0.000 0.989 574 I CA -0.692 60.570 61.300 -0.062 0.000 1.173 574 I CB 1.536 39.511 38.000 -0.041 0.000 1.338 574 I HN -0.068 nan 8.210 nan 0.000 0.456 575 I N 6.201 126.706 120.570 -0.108 0.000 2.325 575 I HA 0.192 4.362 4.170 -0.001 0.000 0.291 575 I C -0.509 175.554 176.117 -0.090 0.000 1.019 575 I CA -0.541 60.654 61.300 -0.176 0.000 1.302 575 I CB 1.203 39.090 38.000 -0.187 0.000 1.401 575 I HN 0.209 nan 8.210 nan 0.000 0.485 576 V N 6.700 126.559 119.914 -0.092 0.000 2.333 576 V HA 0.635 4.754 4.120 -0.001 0.000 0.274 576 V C 0.342 176.444 176.094 0.013 0.000 1.028 576 V CA -0.447 61.857 62.300 0.006 0.000 0.851 576 V CB 0.965 32.796 31.823 0.013 0.000 1.000 576 V HN 0.808 nan 8.190 nan 0.000 0.456 577 A N 3.958 126.810 122.820 0.053 0.000 2.380 577 A HA 0.944 5.264 4.320 -0.001 0.000 0.315 577 A C -0.213 177.523 177.584 0.253 0.000 1.101 577 A CA -0.532 51.539 52.037 0.058 0.000 0.771 577 A CB 1.847 20.682 19.000 -0.276 0.000 1.287 577 A HN 0.691 nan 8.150 nan 0.000 0.436 578 S N -0.037 115.870 115.700 0.346 0.000 2.568 578 S HA 0.786 5.255 4.470 -0.001 0.000 0.293 578 S C -1.398 173.566 174.600 0.607 0.000 1.089 578 S CA -0.331 58.119 58.200 0.417 0.000 0.945 578 S CB 1.398 64.787 63.200 0.315 0.000 1.077 578 S HN 0.817 nan 8.310 nan 0.000 0.485 579 F N 1.949 122.129 119.950 0.383 0.000 2.562 579 F HA 0.383 4.910 4.527 -0.001 0.000 0.319 579 F C -1.511 174.466 175.800 0.296 0.000 1.154 579 F CA -0.794 57.444 58.000 0.396 0.000 0.931 579 F CB 1.273 40.468 39.000 0.325 0.000 1.198 579 F HN 0.419 nan 8.300 nan 0.000 0.444 580 D N 5.229 125.479 120.400 -0.251 0.000 2.393 580 D HA 0.313 4.952 4.640 -0.001 0.000 0.232 580 D C 0.481 176.471 176.300 -0.518 0.000 1.192 580 D CA 0.244 54.115 54.000 -0.214 0.000 0.882 580 D CB 1.434 42.244 40.800 0.017 0.000 1.038 580 D HN 0.759 nan 8.370 nan 0.000 0.499 581 G N 1.660 110.219 108.800 -0.403 0.000 2.695 581 G HA2 0.266 4.225 3.960 -0.001 0.000 0.213 581 G HA3 0.266 4.225 3.960 -0.001 0.000 0.213 581 G C 0.293 175.176 174.900 -0.028 0.000 1.406 581 G CA -0.663 44.241 45.100 -0.327 0.000 1.049 581 G HN 0.293 nan 8.290 nan 0.000 0.573 582 R N -0.840 119.635 120.500 -0.042 0.000 2.734 582 R HA 0.375 4.714 4.340 -0.001 0.000 0.266 582 R C 1.159 177.482 176.300 0.038 0.000 1.044 582 R CA 1.175 57.324 56.100 0.082 0.000 1.128 582 R CB 0.293 30.628 30.300 0.057 0.000 1.010 582 R HN 1.083 nan 8.270 nan 0.000 0.461 583 G N 0.837 109.661 108.800 0.041 0.000 2.160 583 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.251 583 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.251 583 G C 0.017 174.879 174.900 -0.063 0.000 1.008 583 G CA 0.512 45.618 45.100 0.010 0.000 0.724 583 G HN 0.717 nan 8.290 nan 0.000 0.514 584 S N -1.311 114.355 115.700 -0.057 0.000 2.823 584 S HA 0.917 5.386 4.470 -0.001 0.000 0.316 584 S C 1.511 176.031 174.600 -0.134 0.000 1.116 584 S CA 0.295 58.431 58.200 -0.105 0.000 0.911 584 S CB 1.434 64.596 63.200 -0.064 0.000 1.276 584 S HN 2.067 nan 8.310 nan 0.000 0.565 585 G N 0.277 109.007 108.800 -0.117 0.000 2.431 585 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.940 585 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.940 585 G C -0.708 173.970 174.900 -0.370 0.000 1.407 585 G CA 0.942 45.970 45.100 -0.119 0.000 0.878 585 G HN 0.944 nan 8.290 nan 0.000 0.500 586 Y N 0.552 120.846 120.300 -0.010 0.000 2.921 586 Y HA 0.540 5.090 4.550 -0.001 0.000 0.346 586 Y C 1.065 176.931 175.900 -0.057 0.000 1.182 586 Y CA -0.350 57.731 58.100 -0.032 0.000 1.319 586 Y CB 0.595 39.070 38.460 0.025 0.000 1.403 586 Y HN 0.404 nan 8.280 nan 0.000 0.554 587 Q N 0.783 120.550 119.800 -0.054 0.000 2.088 587 Q HA 0.465 4.805 4.340 -0.001 0.000 0.270 587 Q C 0.318 176.106 176.000 -0.354 0.000 0.854 587 Q CA -0.239 55.521 55.803 -0.072 0.000 1.104 587 Q CB 1.548 30.265 28.738 -0.036 0.000 1.251 587 Q HN 0.665 nan 8.270 nan 0.000 0.436 588 G N 0.663 109.112 108.800 -0.585 0.000 2.692 588 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.686 588 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.686 588 G C -0.409 174.089 174.900 -0.670 0.000 1.243 588 G CA -0.582 43.927 45.100 -0.986 0.000 0.782 588 G HN 0.168 nan 8.290 nan 0.000 0.625 589 D N 0.243 120.213 120.400 -0.717 0.000 2.264 589 D HA -0.060 4.579 4.640 -0.001 0.000 0.208 589 D C 2.162 178.139 176.300 -0.538 0.000 0.966 589 D CA 1.150 54.662 54.000 -0.813 0.000 0.864 589 D CB 0.047 40.252 40.800 -0.992 0.000 0.933 589 D HN 0.604 nan 8.370 nan 0.000 0.499 590 K N 0.774 120.939 120.400 -0.392 0.000 2.063 590 K HA -0.137 4.183 4.320 -0.001 0.000 0.208 590 K C 2.056 178.571 176.600 -0.142 0.000 1.048 590 K CA 0.929 57.090 56.287 -0.211 0.000 0.928 590 K CB -0.045 32.358 32.500 -0.160 0.000 0.713 590 K HN 0.128 nan 8.250 nan 0.000 0.442 591 I N 0.290 120.757 120.570 -0.171 0.000 2.277 591 I HA -0.231 3.939 4.170 -0.001 0.000 0.243 591 I C 2.673 178.750 176.117 -0.068 0.000 1.094 591 I CA 0.771 62.034 61.300 -0.061 0.000 1.393 591 I CB -0.162 37.807 38.000 -0.052 0.000 1.078 591 I HN 0.299 nan 8.210 nan 0.000 0.417 592 M N 0.409 119.897 119.600 -0.186 0.000 2.059 592 M HA -0.230 4.250 4.480 -0.001 0.000 0.259 592 M C 2.206 178.514 176.300 0.015 0.000 1.072 592 M CA 1.917 57.133 55.300 -0.140 0.000 1.117 592 M CB -0.329 32.090 32.600 -0.301 0.000 1.320 592 M HN 0.216 nan 8.290 nan 0.000 0.408 593 H N 0.232 119.156 119.070 -0.242 0.000 2.567 593 H HA 0.119 4.675 4.556 -0.001 0.000 0.276 593 H C 1.831 177.141 175.328 -0.031 0.000 1.016 593 H CA 0.820 56.736 56.048 -0.220 0.000 1.186 593 H CB -0.856 28.695 29.762 -0.353 0.000 1.351 593 H HN 0.515 nan 8.280 nan 0.000 0.605 594 A N 0.410 123.289 122.820 0.097 0.000 2.070 594 A HA -0.099 4.220 4.320 -0.001 0.000 0.220 594 A C 2.312 179.957 177.584 0.101 0.000 1.159 594 A CA 0.995 53.082 52.037 0.084 0.000 0.656 594 A CB -0.476 18.567 19.000 0.072 0.000 0.800 594 A HN 0.385 nan 8.150 nan 0.000 0.453 595 I N -0.982 119.666 120.570 0.131 0.000 3.228 595 I HA -0.045 4.124 4.170 -0.001 0.000 0.279 595 I C 0.715 176.911 176.117 0.132 0.000 1.221 595 I CA -0.248 61.118 61.300 0.110 0.000 1.458 595 I CB -0.414 37.625 38.000 0.065 0.000 1.105 595 I HN 0.290 nan 8.210 nan 0.000 0.445 596 N N 2.659 121.492 118.700 0.221 0.000 1.990 596 N HA -0.239 4.500 4.740 -0.001 0.000 0.291 596 N C 0.531 176.104 175.510 0.104 0.000 1.249 596 N CA 0.957 54.139 53.050 0.220 0.000 0.808 596 N CB 0.297 38.885 38.487 0.167 0.000 1.040 596 N HN 0.061 nan 8.380 nan 0.000 0.484 597 K N -0.543 119.888 120.400 0.050 0.000 3.363 597 K HA -0.264 4.055 4.320 -0.001 0.000 0.313 597 K C -0.595 176.053 176.600 0.080 0.000 1.259 597 K CA 1.673 57.955 56.287 -0.007 0.000 0.942 597 K CB -1.377 31.095 32.500 -0.046 0.000 1.229 597 K HN 0.908 nan 8.250 nan 0.000 0.440 598 R N -0.633 119.930 120.500 0.105 0.000 2.924 598 R HA 0.376 4.716 4.340 -0.001 0.000 0.233 598 R C -0.120 176.224 176.300 0.073 0.000 1.685 598 R CA -0.550 55.657 56.100 0.178 0.000 1.462 598 R CB -0.265 30.208 30.300 0.289 0.000 1.542 598 R HN -0.068 nan 8.270 nan 0.000 0.667 599 L N 1.050 122.268 121.223 -0.009 0.000 2.476 599 L HA 0.529 4.868 4.340 -0.001 0.000 0.255 599 L C 1.277 178.304 176.870 0.262 0.000 1.218 599 L CA 0.378 55.258 54.840 0.067 0.000 0.819 599 L CB 0.486 42.452 42.059 -0.155 0.000 1.119 599 L HN 0.861 nan 8.230 nan 0.000 0.485 600 G N 0.335 109.382 108.800 0.412 0.000 2.198 600 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.260 600 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.260 600 G C 0.258 175.229 174.900 0.118 0.000 1.025 600 G CA 0.482 45.775 45.100 0.323 0.000 0.769 600 G HN 0.716 nan 8.290 nan 0.000 0.507 601 T N -0.616 114.000 114.554 0.103 0.000 1.850 601 T HA 0.376 4.726 4.350 -0.001 0.000 0.176 601 T C 2.303 177.026 174.700 0.039 0.000 0.702 601 T CA 0.181 62.309 62.100 0.047 0.000 1.184 601 T CB -0.157 68.735 68.868 0.041 0.000 3.221 601 T HN 0.072 nan 8.240 nan 0.000 0.405 602 L N 2.058 123.306 121.223 0.041 0.000 2.021 602 L HA -0.175 4.165 4.340 -0.001 0.000 0.215 602 L C 2.937 179.829 176.870 0.036 0.000 1.074 602 L CA 1.982 56.840 54.840 0.031 0.000 0.760 602 L CB -0.966 41.114 42.059 0.035 0.000 0.889 602 L HN 0.633 nan 8.230 nan 0.000 0.433 603 E N 0.755 120.993 120.200 0.063 0.000 2.160 603 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 603 E C 2.072 178.725 176.600 0.088 0.000 0.991 603 E CA 1.731 58.179 56.400 0.080 0.000 0.810 603 E CB -0.609 29.158 29.700 0.112 0.000 0.742 603 E HN 0.403 nan 8.360 nan 0.000 0.466 604 V N 1.723 121.675 119.914 0.063 0.000 2.255 604 V HA -0.225 3.894 4.120 -0.001 0.000 0.243 604 V C 2.382 178.479 176.094 0.005 0.000 1.038 604 V CA 2.097 64.404 62.300 0.012 0.000 1.008 604 V CB -0.687 31.105 31.823 -0.052 0.000 0.645 604 V HN 0.212 nan 8.190 nan 0.000 0.449 605 E N 0.499 120.698 120.200 -0.002 0.000 2.045 605 E HA -0.318 4.032 4.350 -0.001 0.000 0.212 605 E C 1.913 178.505 176.600 -0.013 0.000 1.039 605 E CA 1.921 58.314 56.400 -0.011 0.000 0.860 605 E CB -0.424 29.267 29.700 -0.015 0.000 0.776 605 E HN 0.568 nan 8.360 nan 0.000 0.467 606 D N 0.090 120.485 120.400 -0.009 0.000 2.254 606 D HA -0.209 4.430 4.640 -0.001 0.000 0.201 606 D C 1.907 178.219 176.300 0.020 0.000 0.998 606 D CA 1.198 55.193 54.000 -0.009 0.000 0.885 606 D CB -0.254 40.564 40.800 0.030 0.000 0.915 606 D HN 0.096 nan 8.370 nan 0.000 0.460 607 Q N -0.210 119.640 119.800 0.083 0.000 2.172 607 Q HA 0.040 4.379 4.340 -0.001 0.000 0.200 607 Q C 2.076 178.119 176.000 0.070 0.000 0.964 607 Q CA 0.714 56.592 55.803 0.126 0.000 0.855 607 Q CB -0.042 28.779 28.738 0.138 0.000 0.918 607 Q HN 0.360 nan 8.270 nan 0.000 0.444 608 I N -0.090 120.517 120.570 0.060 0.000 2.233 608 I HA -0.188 3.982 4.170 -0.001 0.000 0.243 608 I C 2.141 178.223 176.117 -0.058 0.000 1.093 608 I CA 0.748 62.127 61.300 0.133 0.000 1.380 608 I CB -0.255 37.814 38.000 0.115 0.000 1.067 608 I HN 0.176 nan 8.210 nan 0.000 0.413 609 E N 1.277 121.387 120.200 -0.151 0.000 2.070 609 E HA -0.262 4.088 4.350 -0.001 0.000 0.197 609 E C 2.298 178.607 176.600 -0.486 0.000 1.004 609 E CA 1.758 58.000 56.400 -0.263 0.000 0.805 609 E CB -0.342 29.209 29.700 -0.249 0.000 0.744 609 E HN 0.470 nan 8.360 nan 0.000 0.451 610 A N 0.981 123.356 122.820 -0.741 0.000 1.948 610 A HA -0.189 4.131 4.320 -0.001 0.000 0.220 610 A C 2.394 179.284 177.584 -1.156 0.000 1.177 610 A CA 2.501 53.751 52.037 -1.312 0.000 0.636 610 A CB -0.620 17.404 19.000 -1.628 0.000 0.815 610 A HN 0.310 nan 8.150 nan 0.000 0.449 611 A N -0.433 122.101 122.820 -0.476 0.000 1.873 611 A HA -0.120 4.199 4.320 -0.001 0.000 0.215 611 A C 2.227 179.641 177.584 -0.283 0.000 1.186 611 A CA 1.308 53.223 52.037 -0.205 0.000 0.616 611 A CB -0.471 18.446 19.000 -0.138 0.000 0.823 611 A HN 0.445 nan 8.150 nan 0.000 0.442 612 R N -0.294 120.029 120.500 -0.295 0.000 2.122 612 R HA -0.191 4.149 4.340 -0.001 0.000 0.236 612 R C 2.235 178.372 176.300 -0.273 0.000 1.129 612 R CA 1.775 57.727 56.100 -0.246 0.000 0.925 612 R CB -0.994 29.178 30.300 -0.214 0.000 0.850 612 R HN 0.608 nan 8.270 nan 0.000 0.431 613 Q N -0.034 119.532 119.800 -0.390 0.000 2.133 613 Q HA -0.141 4.199 4.340 -0.001 0.000 0.208 613 Q C 2.273 178.086 176.000 -0.312 0.000 0.991 613 Q CA 1.580 57.146 55.803 -0.395 0.000 0.867 613 Q CB -0.554 27.843 28.738 -0.567 0.000 0.911 613 Q HN 0.474 nan 8.270 nan 0.000 0.417 614 F N 0.430 120.190 119.950 -0.317 0.000 2.134 614 F HA -0.189 4.337 4.527 -0.001 0.000 0.299 614 F C 2.360 177.942 175.800 -0.364 0.000 1.097 614 F CA 0.258 58.059 58.000 -0.331 0.000 1.264 614 F CB -0.213 38.631 39.000 -0.259 0.000 1.001 614 F HN 0.025 nan 8.300 nan 0.000 0.479 615 L N 0.219 121.376 121.223 -0.110 0.000 2.017 615 L HA -0.248 4.092 4.340 -0.001 0.000 0.208 615 L C 2.212 178.963 176.870 -0.199 0.000 1.073 615 L CA 1.522 56.260 54.840 -0.170 0.000 0.745 615 L CB -0.638 41.331 42.059 -0.151 0.000 0.894 615 L HN 0.066 nan 8.230 nan 0.000 0.432 616 K N -0.308 119.988 120.400 -0.174 0.000 2.360 616 K HA -0.129 4.191 4.320 -0.001 0.000 0.201 616 K C 1.882 178.387 176.600 -0.159 0.000 1.046 616 K CA 1.079 57.278 56.287 -0.147 0.000 0.945 616 K CB -0.126 32.297 32.500 -0.128 0.000 0.750 616 K HN 0.351 nan 8.250 nan 0.000 0.464 617 M N -0.527 118.928 119.600 -0.242 0.000 2.659 617 M HA -0.020 4.460 4.480 -0.001 0.000 0.243 617 M C 1.294 177.358 176.300 -0.393 0.000 1.111 617 M CA 0.790 55.926 55.300 -0.274 0.000 1.070 617 M CB 0.197 32.595 32.600 -0.337 0.000 1.525 617 M HN 0.476 nan 8.290 nan 0.000 0.517 618 G N 1.225 109.804 108.800 -0.367 0.000 5.064 618 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.277 618 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.277 618 G C 0.424 175.196 174.900 -0.212 0.000 1.580 618 G CA 0.125 45.101 45.100 -0.207 0.000 1.109 618 G HN 0.551 nan 8.290 nan 0.000 0.695 619 F N 2.143 122.162 119.950 0.115 0.000 2.613 619 F HA 0.441 4.968 4.527 -0.001 0.000 0.290 619 F C 0.490 176.420 175.800 0.217 0.000 1.237 619 F CA 0.308 58.430 58.000 0.204 0.000 1.494 619 F CB -0.753 38.478 39.000 0.386 0.000 1.123 619 F HN 0.224 nan 8.300 nan 0.000 0.625 620 V N 1.189 121.072 119.914 -0.053 0.000 2.409 620 V HA 0.105 4.224 4.120 -0.001 0.000 0.291 620 V C -0.126 175.938 176.094 -0.049 0.000 1.020 620 V CA -1.081 61.205 62.300 -0.024 0.000 0.848 620 V CB 1.403 33.151 31.823 -0.126 0.000 0.990 620 V HN 0.092 nan 8.190 nan 0.000 0.430 621 D N 3.790 124.165 120.400 -0.042 0.000 2.398 621 D HA -0.014 4.626 4.640 -0.001 0.000 0.250 621 D C 1.594 177.842 176.300 -0.088 0.000 1.287 621 D CA 0.534 54.487 54.000 -0.079 0.000 0.992 621 D CB 1.032 41.764 40.800 -0.113 0.000 1.071 621 D HN 0.728 nan 8.370 nan 0.000 0.514 622 S N 3.558 119.208 115.700 -0.084 0.000 2.462 622 S HA -0.179 4.291 4.470 -0.001 0.000 0.243 622 S C 1.427 175.986 174.600 -0.067 0.000 1.003 622 S CA 0.703 58.850 58.200 -0.089 0.000 0.970 622 S CB 0.011 63.157 63.200 -0.089 0.000 0.762 622 S HN 0.265 nan 8.310 nan 0.000 0.510 623 K N 0.655 121.023 120.400 -0.053 0.000 2.444 623 K HA 0.253 4.572 4.320 -0.001 0.000 0.193 623 K C 0.162 176.769 176.600 0.012 0.000 1.024 623 K CA 0.249 56.523 56.287 -0.023 0.000 1.077 623 K CB 0.062 32.547 32.500 -0.024 0.000 0.833 623 K HN 0.395 nan 8.250 nan 0.000 0.517 624 R N 0.154 120.643 120.500 -0.019 0.000 2.818 624 R HA 0.250 4.590 4.340 -0.001 0.000 0.258 624 R C -1.514 174.813 176.300 0.045 0.000 1.797 624 R CA -0.136 55.985 56.100 0.036 0.000 1.532 624 R CB 1.288 31.450 30.300 -0.231 0.000 1.413 624 R HN -0.239 nan 8.270 nan 0.000 0.622 625 V N 1.503 121.541 119.914 0.208 0.000 2.444 625 V HA 0.846 4.966 4.120 -0.001 0.000 0.294 625 V C -0.090 176.240 176.094 0.394 0.000 1.022 625 V CA -0.696 61.718 62.300 0.189 0.000 0.850 625 V CB 1.620 33.372 31.823 -0.118 0.000 0.992 625 V HN 0.664 nan 8.190 nan 0.000 0.426 626 A N 4.923 128.069 122.820 0.544 0.000 2.414 626 A HA 1.030 5.349 4.320 -0.001 0.000 0.278 626 A C -0.868 177.088 177.584 0.619 0.000 1.228 626 A CA -0.850 51.505 52.037 0.530 0.000 0.857 626 A CB 1.822 21.008 19.000 0.311 0.000 1.389 626 A HN 0.999 nan 8.150 nan 0.000 0.452 627 I N -0.304 120.555 120.570 0.481 0.000 2.741 627 I HA 0.494 4.664 4.170 -0.001 0.000 0.288 627 I C -2.109 174.274 176.117 0.443 0.000 1.482 627 I CA -0.546 61.002 61.300 0.413 0.000 1.050 627 I CB 1.278 39.336 38.000 0.096 0.000 1.388 627 I HN 0.986 nan 8.210 nan 0.000 0.428 628 W N 7.017 128.452 121.300 0.225 0.000 3.032 628 W HA 0.935 5.595 4.660 -0.001 0.000 0.341 628 W C -1.157 175.500 176.519 0.229 0.000 1.202 628 W CA -1.157 56.317 57.345 0.214 0.000 1.132 628 W CB 1.117 30.740 29.460 0.272 0.000 1.465 628 W HN 0.835 nan 8.180 nan 0.000 0.576 629 G N -0.030 108.750 108.800 -0.033 0.000 2.579 629 G HA2 0.433 4.393 3.960 -0.001 0.000 0.292 629 G HA3 0.433 4.393 3.960 -0.001 0.000 0.292 629 G C -2.779 172.071 174.900 -0.083 0.000 1.484 629 G CA -0.755 44.180 45.100 -0.274 0.000 0.813 629 G HN 0.624 nan 8.290 nan 0.000 0.515 630 W N 1.217 122.362 121.300 -0.259 0.000 2.689 630 W HA 0.597 5.257 4.660 -0.001 0.000 0.340 630 W C 0.962 177.455 176.519 -0.043 0.000 1.060 630 W CA 0.399 57.660 57.345 -0.140 0.000 1.218 630 W CB 1.982 31.331 29.460 -0.185 0.000 1.410 630 W HN 1.198 nan 8.180 nan 0.000 0.528 631 S N 2.658 118.572 115.700 0.357 0.000 4.137 631 S HA -0.441 4.029 4.470 -0.001 0.000 0.550 631 S C 1.325 176.066 174.600 0.235 0.000 1.887 631 S CA 2.194 60.599 58.200 0.342 0.000 4.230 631 S CB -1.876 61.621 63.200 0.495 0.000 0.378 631 S HN 0.722 nan 8.310 nan 0.000 0.490 632 Y N 2.134 122.544 120.300 0.182 0.000 2.165 632 Y HA -0.028 4.522 4.550 -0.001 0.000 0.286 632 Y C 2.491 178.595 175.900 0.340 0.000 1.155 632 Y CA 2.526 60.804 58.100 0.296 0.000 1.164 632 Y CB -1.052 37.691 38.460 0.471 0.000 0.978 632 Y HN 0.543 nan 8.280 nan 0.000 0.513 633 G N -0.960 108.152 108.800 0.519 0.000 2.432 633 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.219 633 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.219 633 G C 1.835 176.846 174.900 0.185 0.000 1.135 633 G CA 0.767 46.073 45.100 0.344 0.000 0.767 633 G HN 0.578 nan 8.290 nan 0.000 0.550 634 G N -0.367 108.522 108.800 0.149 0.000 2.422 634 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.218 634 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.218 634 G C 1.543 176.510 174.900 0.111 0.000 1.140 634 G CA 1.041 46.199 45.100 0.095 0.000 0.775 634 G HN 0.443 nan 8.290 nan 0.000 0.545 635 Y N 1.492 121.759 120.300 -0.055 0.000 2.109 635 Y HA -0.119 4.431 4.550 -0.001 0.000 0.285 635 Y C 2.738 178.594 175.900 -0.073 0.000 1.131 635 Y CA 1.641 59.654 58.100 -0.145 0.000 1.121 635 Y CB -0.564 37.679 38.460 -0.362 0.000 0.987 635 Y HN 0.014 nan 8.280 nan 0.000 0.495 636 V N 0.006 119.854 119.914 -0.111 0.000 2.332 636 V HA -0.359 3.761 4.120 -0.001 0.000 0.248 636 V C 2.348 178.354 176.094 -0.146 0.000 1.055 636 V CA 2.450 64.652 62.300 -0.163 0.000 1.038 636 V CB -1.337 30.549 31.823 0.105 0.000 0.651 636 V HN 0.519 nan 8.190 nan 0.000 0.450 637 T N -0.029 114.500 114.554 -0.042 0.000 2.635 637 T HA -0.221 4.128 4.350 -0.001 0.000 0.267 637 T C 2.145 176.788 174.700 -0.095 0.000 1.040 637 T CA 2.136 64.210 62.100 -0.043 0.000 1.156 637 T CB -0.329 68.592 68.868 0.087 0.000 0.863 637 T HN 0.539 nan 8.240 nan 0.000 0.430 638 S N 0.973 116.658 115.700 -0.024 0.000 2.368 638 S HA -0.007 4.463 4.470 -0.001 0.000 0.225 638 S C 2.105 176.647 174.600 -0.097 0.000 1.030 638 S CA 0.965 59.170 58.200 0.008 0.000 0.999 638 S CB -0.284 62.976 63.200 0.099 0.000 0.844 638 S HN 0.354 nan 8.310 nan 0.000 0.459 639 M N 0.645 120.092 119.600 -0.254 0.000 2.296 639 M HA -0.004 4.475 4.480 -0.001 0.000 0.265 639 M C 2.058 178.207 176.300 -0.252 0.000 1.064 639 M CA 0.914 56.039 55.300 -0.291 0.000 1.109 639 M CB -0.905 31.389 32.600 -0.509 0.000 1.396 639 M HN 0.201 nan 8.290 nan 0.000 0.430 640 V N 0.511 120.252 119.914 -0.287 0.000 2.346 640 V HA -0.199 3.920 4.120 -0.001 0.000 0.244 640 V C 2.411 178.274 176.094 -0.385 0.000 1.037 640 V CA 1.166 63.268 62.300 -0.330 0.000 1.029 640 V CB -0.477 31.063 31.823 -0.472 0.000 0.663 640 V HN 0.382 nan 8.190 nan 0.000 0.454 641 L N 0.555 121.495 121.223 -0.471 0.000 2.079 641 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 641 L C 2.230 178.596 176.870 -0.841 0.000 1.081 641 L CA 1.713 56.181 54.840 -0.619 0.000 0.752 641 L CB -0.823 40.785 42.059 -0.751 0.000 0.896 641 L HN 0.503 nan 8.230 nan 0.000 0.433 642 G N -1.390 106.952 108.800 -0.763 0.000 3.181 642 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.219 642 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.219 642 G C 1.409 176.205 174.900 -0.173 0.000 1.182 642 G CA 0.582 45.407 45.100 -0.459 0.000 0.791 642 G HN 0.458 nan 8.290 nan 0.000 0.537 643 S N -0.879 114.707 115.700 -0.190 0.000 2.524 643 S HA 0.309 4.779 4.470 -0.001 0.000 0.216 643 S C 1.856 176.414 174.600 -0.070 0.000 0.987 643 S CA 0.826 58.965 58.200 -0.101 0.000 0.909 643 S CB -0.009 63.135 63.200 -0.093 0.000 0.781 643 S HN 1.270 nan 8.310 nan 0.000 0.521 644 G N 1.987 110.732 108.800 -0.092 0.000 2.283 644 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.280 644 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.280 644 G C 0.793 175.682 174.900 -0.017 0.000 1.029 644 G CA 0.721 45.791 45.100 -0.050 0.000 0.840 644 G HN 1.263 nan 8.290 nan 0.000 0.505 645 S N -1.109 114.592 115.700 0.001 0.000 2.561 645 S HA 0.330 4.800 4.470 -0.001 0.000 0.225 645 S C 2.462 177.081 174.600 0.032 0.000 0.977 645 S CA 1.295 59.511 58.200 0.025 0.000 0.926 645 S CB -0.057 63.181 63.200 0.064 0.000 0.769 645 S HN 2.341 nan 8.310 nan 0.000 0.533 646 G N 0.550 109.372 108.800 0.037 0.000 2.257 646 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.267 646 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.267 646 G C 0.834 175.752 174.900 0.029 0.000 0.984 646 G CA 0.504 45.621 45.100 0.028 0.000 0.626 646 G HN 0.776 nan 8.290 nan 0.000 0.540 647 V N -0.472 119.469 119.914 0.045 0.000 2.759 647 V HA 0.226 4.346 4.120 -0.001 0.000 0.256 647 V C 1.031 176.958 176.094 -0.279 0.000 1.080 647 V CA 1.502 63.730 62.300 -0.120 0.000 1.101 647 V CB -0.545 31.159 31.823 -0.198 0.000 0.698 647 V HN 0.320 nan 8.190 nan 0.000 0.477 648 F N -0.766 119.189 119.950 0.009 0.000 2.508 648 F HA 0.474 5.000 4.527 -0.001 0.000 0.325 648 F C 0.913 176.742 175.800 0.048 0.000 1.090 648 F CA -1.142 56.886 58.000 0.047 0.000 0.945 648 F CB 1.841 40.870 39.000 0.048 0.000 1.156 648 F HN -0.345 nan 8.300 nan 0.000 0.463 649 K N 1.048 121.604 120.400 0.259 0.000 2.044 649 K HA 0.128 4.448 4.320 -0.001 0.000 0.204 649 K C 0.047 176.758 176.600 0.185 0.000 1.045 649 K CA 1.066 57.463 56.287 0.184 0.000 0.951 649 K CB 0.238 32.847 32.500 0.182 0.000 0.738 649 K HN 0.802 nan 8.250 nan 0.000 0.443 650 c N -2.383 116.355 118.600 0.230 0.000 3.307 650 c HA 0.950 5.520 4.570 -0.001 0.000 0.350 650 c C 0.025 174.320 174.090 0.342 0.000 1.549 650 c CA -0.583 55.913 56.329 0.279 0.000 1.396 650 c CB 0.987 43.613 42.510 0.193 0.000 1.970 650 c HN 0.445 nan 8.230 nan 0.000 0.441 651 G N -0.420 108.650 108.800 0.449 0.000 2.579 651 G HA2 0.651 4.610 3.960 -0.001 0.000 0.292 651 G HA3 0.651 4.610 3.960 -0.001 0.000 0.292 651 G C -2.026 173.056 174.900 0.304 0.000 1.484 651 G CA -0.634 44.690 45.100 0.373 0.000 0.813 651 G HN 0.949 nan 8.290 nan 0.000 0.515 652 I N 0.534 121.264 120.570 0.267 0.000 2.499 652 I HA 0.640 4.810 4.170 -0.001 0.000 0.288 652 I C 0.061 176.289 176.117 0.185 0.000 1.048 652 I CA -1.036 60.309 61.300 0.075 0.000 1.062 652 I CB 2.292 40.315 38.000 0.039 0.000 1.238 652 I HN 0.710 nan 8.210 nan 0.000 0.426 653 A N 6.359 129.192 122.820 0.021 0.000 2.319 653 A HA 0.785 5.105 4.320 -0.001 0.000 0.310 653 A C -0.813 176.671 177.584 -0.167 0.000 1.152 653 A CA -0.520 51.532 52.037 0.026 0.000 0.783 653 A CB 1.220 20.306 19.000 0.144 0.000 1.184 653 A HN 0.435 nan 8.150 nan 0.000 0.474 654 V N 2.027 121.771 119.914 -0.284 0.000 2.398 654 V HA 0.583 4.703 4.120 -0.001 0.000 0.286 654 V C 0.973 176.660 176.094 -0.679 0.000 1.026 654 V CA 0.310 62.212 62.300 -0.662 0.000 0.868 654 V CB 0.895 31.936 31.823 -1.303 0.000 0.982 654 V HN 2.120 nan 8.190 nan 0.000 0.443 655 A N 5.538 127.950 122.820 -0.680 0.000 2.415 655 A HA -0.106 4.214 4.320 -0.001 0.000 0.292 655 A C -1.612 175.880 177.584 -0.153 0.000 1.452 655 A CA 0.496 52.114 52.037 -0.698 0.000 0.750 655 A CB -1.596 17.116 19.000 -0.479 0.000 1.099 655 A HN 0.632 nan 8.150 nan 0.000 0.391 656 P HA 0.445 nan 4.420 nan 0.000 0.276 656 P C -0.153 177.149 177.300 0.003 0.000 1.261 656 P CA -0.276 62.832 63.100 0.014 0.000 0.800 656 P CB 1.201 32.925 31.700 0.041 0.000 1.066 657 V N 1.354 121.191 119.914 -0.129 0.000 2.398 657 V HA 0.127 4.247 4.120 -0.001 0.000 0.286 657 V C 1.479 177.403 176.094 -0.283 0.000 1.026 657 V CA 0.184 62.272 62.300 -0.354 0.000 0.868 657 V CB 1.094 32.373 31.823 -0.907 0.000 0.982 657 V HN 0.708 nan 8.190 nan 0.000 0.443 658 S N 4.228 119.815 115.700 -0.188 0.000 2.502 658 S HA 0.226 4.695 4.470 -0.001 0.000 0.215 658 S C 0.508 174.946 174.600 -0.270 0.000 1.009 658 S CA -0.347 57.784 58.200 -0.115 0.000 0.908 658 S CB 0.131 63.329 63.200 -0.003 0.000 0.801 658 S HN 0.864 nan 8.310 nan 0.000 0.505 659 R N -1.389 118.784 120.500 -0.545 0.000 2.764 659 R HA 0.245 4.585 4.340 -0.001 0.000 0.250 659 R C -1.164 174.763 176.300 -0.622 0.000 1.122 659 R CA -0.900 54.840 56.100 -0.601 0.000 1.022 659 R CB -0.411 29.550 30.300 -0.565 0.000 1.266 659 R HN 0.131 nan 8.270 nan 0.000 0.454 660 W N 1.617 122.839 121.300 -0.130 0.000 2.424 660 W HA -0.062 4.598 4.660 -0.001 0.000 0.264 660 W C 1.222 177.900 176.519 0.265 0.000 1.229 660 W CA 0.936 58.306 57.345 0.042 0.000 1.208 660 W CB 0.098 29.495 29.460 -0.104 0.000 1.127 660 W HN 0.740 nan 8.180 nan 0.000 0.588 661 E N -1.069 119.313 120.200 0.304 0.000 2.268 661 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 661 E C 1.511 178.322 176.600 0.351 0.000 0.995 661 E CA 1.041 57.601 56.400 0.267 0.000 0.836 661 E CB -0.371 29.392 29.700 0.105 0.000 0.763 661 E HN 0.342 nan 8.360 nan 0.000 0.491 662 Y N -1.289 119.139 120.300 0.214 0.000 2.395 662 Y HA 0.020 4.569 4.550 -0.001 0.000 0.293 662 Y C 0.823 176.906 175.900 0.304 0.000 1.123 662 Y CA -0.237 57.978 58.100 0.190 0.000 1.227 662 Y CB -0.707 37.809 38.460 0.093 0.000 1.012 662 Y HN 0.029 nan 8.280 nan 0.000 0.552 663 Y N 2.282 122.800 120.300 0.365 0.000 2.298 663 Y HA 0.224 4.774 4.550 -0.001 0.000 0.329 663 Y C 0.568 176.745 175.900 0.461 0.000 1.293 663 Y CA -1.867 56.472 58.100 0.398 0.000 1.388 663 Y CB 0.222 38.961 38.460 0.466 0.000 1.309 663 Y HN 0.226 nan 8.280 nan 0.000 0.544 664 D N -0.426 119.757 120.400 -0.362 0.000 2.362 664 D HA 0.061 4.700 4.640 -0.001 0.000 0.238 664 D C 0.916 177.215 176.300 -0.001 0.000 1.212 664 D CA 0.427 54.261 54.000 -0.276 0.000 0.902 664 D CB 0.700 41.094 40.800 -0.676 0.000 1.180 664 D HN 0.474 nan 8.370 nan 0.000 0.445 665 S N 0.733 116.434 115.700 0.001 0.000 2.344 665 S HA -0.212 4.258 4.470 -0.001 0.000 0.217 665 S C 2.064 176.701 174.600 0.062 0.000 1.033 665 S CA 1.180 59.429 58.200 0.083 0.000 1.017 665 S CB -1.151 62.103 63.200 0.091 0.000 0.941 665 S HN 0.446 nan 8.310 nan 0.000 0.430 666 V N 1.135 121.042 119.914 -0.012 0.000 2.250 666 V HA -0.245 3.875 4.120 -0.001 0.000 0.250 666 V C 2.291 178.298 176.094 -0.143 0.000 1.060 666 V CA 2.455 64.643 62.300 -0.186 0.000 1.030 666 V CB -1.178 30.414 31.823 -0.385 0.000 0.643 666 V HN 0.553 nan 8.190 nan 0.000 0.445 667 Y N 1.325 121.581 120.300 -0.072 0.000 2.084 667 Y HA -0.235 4.314 4.550 -0.001 0.000 0.279 667 Y C 2.796 178.726 175.900 0.051 0.000 1.119 667 Y CA 2.376 60.517 58.100 0.068 0.000 1.101 667 Y CB -0.882 37.811 38.460 0.388 0.000 0.989 667 Y HN 0.216 nan 8.280 nan 0.000 0.484 668 T N 0.508 115.225 114.554 0.271 0.000 2.570 668 T HA -0.291 4.059 4.350 -0.001 0.000 0.266 668 T C 1.649 176.274 174.700 -0.124 0.000 1.071 668 T CA 2.156 64.322 62.100 0.110 0.000 1.172 668 T CB -0.546 68.581 68.868 0.432 0.000 0.864 668 T HN 0.431 nan 8.240 nan 0.000 0.421 669 E N 0.374 120.563 120.200 -0.018 0.000 2.171 669 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 669 E C 2.338 178.784 176.600 -0.255 0.000 0.997 669 E CA 0.920 57.294 56.400 -0.044 0.000 0.810 669 E CB -0.192 29.532 29.700 0.039 0.000 0.738 669 E HN 0.356 nan 8.360 nan 0.000 0.467 670 R N -0.163 120.026 120.500 -0.518 0.000 2.139 670 R HA -0.208 4.132 4.340 -0.001 0.000 0.243 670 R C 1.156 176.812 176.300 -1.072 0.000 1.145 670 R CA 1.673 57.254 56.100 -0.865 0.000 0.976 670 R CB -0.002 29.506 30.300 -1.321 0.000 0.866 670 R HN 0.307 nan 8.270 nan 0.000 0.449 671 Y N -2.767 117.161 120.300 -0.620 0.000 2.535 671 Y HA 0.230 4.780 4.550 -0.001 0.000 0.264 671 Y C 1.735 177.411 175.900 -0.373 0.000 1.087 671 Y CA -0.374 57.364 58.100 -0.603 0.000 1.285 671 Y CB 0.408 38.372 38.460 -0.828 0.000 1.200 671 Y HN -0.066 nan 8.280 nan 0.000 0.514 672 M N 0.060 119.513 119.600 -0.245 0.000 2.382 672 M HA 0.356 4.835 4.480 -0.001 0.000 0.247 672 M C 1.148 177.451 176.300 0.006 0.000 1.104 672 M CA 0.858 56.022 55.300 -0.226 0.000 1.030 672 M CB -0.565 31.693 32.600 -0.570 0.000 1.424 672 M HN 0.393 nan 8.290 nan 0.000 0.486 673 G N 1.728 110.540 108.800 0.021 0.000 2.562 673 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.250 673 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.250 673 G C -0.506 174.506 174.900 0.186 0.000 1.269 673 G CA -0.696 44.452 45.100 0.080 0.000 0.919 673 G HN 0.358 nan 8.290 nan 0.000 0.574 674 L N 2.058 123.356 121.223 0.125 0.000 2.325 674 L HA 0.438 4.778 4.340 -0.001 0.000 0.279 674 L C -1.431 175.405 176.870 -0.058 0.000 1.054 674 L CA -1.833 53.035 54.840 0.046 0.000 0.804 674 L CB 2.045 44.106 42.059 0.003 0.000 1.200 674 L HN 0.453 nan 8.230 nan 0.000 0.436 675 P HA 0.024 nan 4.420 nan 0.000 0.238 675 P C -0.371 176.760 177.300 -0.282 0.000 1.714 675 P CA -0.005 62.626 63.100 -0.783 0.000 0.908 675 P CB -0.594 30.382 31.700 -1.208 0.000 1.893 676 T N -3.366 111.115 114.554 -0.121 0.000 2.887 676 T HA 0.423 4.773 4.350 -0.001 0.000 0.288 676 T C -1.888 172.802 174.700 -0.016 0.000 1.021 676 T CA -2.467 59.598 62.100 -0.058 0.000 1.000 676 T CB 2.170 71.013 68.868 -0.042 0.000 1.034 676 T HN -0.209 nan 8.240 nan 0.000 0.467 677 P HA -0.135 nan 4.420 nan 0.000 0.220 677 P C 0.780 178.085 177.300 0.007 0.000 1.144 677 P CA 1.166 64.272 63.100 0.010 0.000 0.800 677 P CB 0.186 31.891 31.700 0.009 0.000 0.772 678 E N -1.033 119.166 120.200 -0.001 0.000 2.502 678 E HA -0.044 4.305 4.350 -0.001 0.000 0.194 678 E C 0.966 177.564 176.600 -0.002 0.000 1.062 678 E CA 0.351 56.750 56.400 -0.002 0.000 0.867 678 E CB 0.089 29.785 29.700 -0.006 0.000 0.888 678 E HN 0.347 nan 8.360 nan 0.000 0.510 679 D N 0.404 120.805 120.400 0.002 0.000 2.988 679 D HA 0.011 4.651 4.640 -0.001 0.000 0.159 679 D C -0.021 176.284 176.300 0.007 0.000 1.304 679 D CA -0.235 53.767 54.000 0.004 0.000 1.564 679 D CB -0.188 40.620 40.800 0.014 0.000 1.421 679 D HN -0.074 nan 8.370 nan 0.000 0.178 680 N N 0.335 119.067 118.700 0.052 0.000 2.338 680 N HA 0.085 4.824 4.740 -0.001 0.000 0.251 680 N C 1.279 176.940 175.510 0.252 0.000 1.199 680 N CA -0.101 52.999 53.050 0.084 0.000 0.879 680 N CB 0.627 39.166 38.487 0.088 0.000 1.159 680 N HN 0.046 nan 8.380 nan 0.000 0.514 681 L N 0.716 122.028 121.223 0.149 0.000 2.081 681 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 681 L C 1.322 178.332 176.870 0.234 0.000 1.080 681 L CA 1.952 56.877 54.840 0.142 0.000 0.754 681 L CB -0.332 41.750 42.059 0.039 0.000 0.893 681 L HN 0.169 nan 8.230 nan 0.000 0.433 682 D N -1.216 119.313 120.400 0.213 0.000 2.084 682 D HA -0.189 4.450 4.640 -0.001 0.000 0.194 682 D C 2.072 178.571 176.300 0.331 0.000 0.990 682 D CA 1.605 55.751 54.000 0.243 0.000 0.826 682 D CB -0.288 40.652 40.800 0.234 0.000 0.971 682 D HN 0.462 nan 8.370 nan 0.000 0.453 683 H N -0.918 118.236 119.070 0.140 0.000 2.456 683 H HA -0.054 4.502 4.556 -0.001 0.000 0.296 683 H C 1.715 177.119 175.328 0.128 0.000 1.079 683 H CA 0.702 56.812 56.048 0.103 0.000 1.322 683 H CB -0.487 29.304 29.762 0.048 0.000 1.388 683 H HN 0.292 nan 8.280 nan 0.000 0.538 684 Y N 0.767 121.200 120.300 0.221 0.000 2.114 684 Y HA -0.147 4.402 4.550 -0.001 0.000 0.284 684 Y C 2.468 178.452 175.900 0.140 0.000 1.143 684 Y CA 1.399 59.615 58.100 0.192 0.000 1.135 684 Y CB 0.009 38.554 38.460 0.141 0.000 0.980 684 Y HN 0.040 nan 8.280 nan 0.000 0.499 685 R N -0.056 120.613 120.500 0.281 0.000 2.237 685 R HA -0.121 4.219 4.340 -0.001 0.000 0.219 685 R C 1.638 178.004 176.300 0.110 0.000 1.080 685 R CA 0.792 56.985 56.100 0.157 0.000 0.995 685 R CB -0.243 30.130 30.300 0.122 0.000 0.875 685 R HN 0.406 nan 8.270 nan 0.000 0.462 686 N N 0.524 119.294 118.700 0.116 0.000 2.336 686 N HA -0.062 4.677 4.740 -0.001 0.000 0.177 686 N C 0.960 176.511 175.510 0.069 0.000 1.018 686 N CA 1.046 54.133 53.050 0.062 0.000 0.878 686 N CB 0.212 38.705 38.487 0.009 0.000 0.997 686 N HN 0.112 nan 8.380 nan 0.000 0.433 687 S N -0.080 115.695 115.700 0.124 0.000 2.859 687 S HA 0.119 4.588 4.470 -0.001 0.000 0.245 687 S C 0.484 175.191 174.600 0.177 0.000 1.008 687 S CA -0.333 57.980 58.200 0.187 0.000 1.089 687 S CB -0.493 62.907 63.200 0.332 0.000 0.798 687 S HN -0.058 nan 8.310 nan 0.000 0.477 688 T N 1.434 116.037 114.554 0.081 0.000 2.897 688 T HA 0.273 4.623 4.350 -0.001 0.000 0.294 688 T C 1.350 176.058 174.700 0.013 0.000 1.004 688 T CA -0.411 61.702 62.100 0.022 0.000 1.106 688 T CB 1.554 70.416 68.868 -0.009 0.000 0.949 688 T HN 0.108 nan 8.240 nan 0.000 0.520 689 V N 4.077 123.988 119.914 -0.006 0.000 2.488 689 V HA -0.119 4.000 4.120 -0.001 0.000 0.246 689 V C 2.485 178.525 176.094 -0.091 0.000 1.046 689 V CA 1.198 63.473 62.300 -0.041 0.000 1.053 689 V CB -0.404 31.392 31.823 -0.045 0.000 0.679 689 V HN 0.827 nan 8.190 nan 0.000 0.458 690 M N 0.782 120.326 119.600 -0.093 0.000 2.279 690 M HA -0.074 4.405 4.480 -0.001 0.000 0.264 690 M C 2.224 178.482 176.300 -0.069 0.000 1.062 690 M CA 1.986 57.219 55.300 -0.111 0.000 1.099 690 M CB -2.012 30.545 32.600 -0.072 0.000 1.394 690 M HN 0.530 nan 8.290 nan 0.000 0.426 691 S N 0.654 116.334 115.700 -0.033 0.000 2.595 691 S HA 0.000 4.470 4.470 -0.001 0.000 0.235 691 S C 1.544 176.146 174.600 0.003 0.000 0.974 691 S CA 0.274 58.469 58.200 -0.009 0.000 0.942 691 S CB -0.438 62.765 63.200 0.005 0.000 0.766 691 S HN 0.644 nan 8.310 nan 0.000 0.536 692 R N -0.070 120.435 120.500 0.007 0.000 2.577 692 R HA 0.465 4.805 4.340 -0.001 0.000 0.344 692 R C 1.884 178.263 176.300 0.131 0.000 1.037 692 R CA 0.399 56.542 56.100 0.072 0.000 1.102 692 R CB 0.018 30.383 30.300 0.108 0.000 1.313 692 R HN 0.407 nan 8.270 nan 0.000 0.561 693 A N 1.872 124.684 122.820 -0.013 0.000 1.884 693 A HA -0.252 4.068 4.320 -0.001 0.000 0.219 693 A C 1.888 179.532 177.584 0.099 0.000 1.197 693 A CA 1.466 53.450 52.037 -0.089 0.000 0.637 693 A CB -0.193 18.741 19.000 -0.111 0.000 0.827 693 A HN 0.210 nan 8.150 nan 0.000 0.450 694 E N 0.282 120.533 120.200 0.085 0.000 2.055 694 E HA -0.244 4.106 4.350 -0.001 0.000 0.209 694 E C 1.614 178.296 176.600 0.136 0.000 1.036 694 E CA 1.681 58.137 56.400 0.095 0.000 0.849 694 E CB -0.625 29.111 29.700 0.060 0.000 0.767 694 E HN 0.621 nan 8.360 nan 0.000 0.461 695 N N 0.207 118.985 118.700 0.130 0.000 2.586 695 N HA -0.154 4.585 4.740 -0.001 0.000 0.191 695 N C 1.321 176.847 175.510 0.026 0.000 1.085 695 N CA 0.546 53.633 53.050 0.062 0.000 0.921 695 N CB -0.408 38.075 38.487 -0.007 0.000 0.954 695 N HN 0.136 nan 8.380 nan 0.000 0.448 696 F N 1.138 121.057 119.950 -0.051 0.000 2.780 696 F HA 0.110 4.637 4.527 -0.001 0.000 0.299 696 F C 1.861 177.676 175.800 0.025 0.000 1.146 696 F CA 0.316 58.284 58.000 -0.054 0.000 1.428 696 F CB 0.104 39.039 39.000 -0.108 0.000 1.115 696 F HN -0.043 nan 8.300 nan 0.000 0.583 697 K N 0.214 120.719 120.400 0.175 0.000 2.209 697 K HA -0.165 4.155 4.320 -0.001 0.000 0.204 697 K C 0.916 177.573 176.600 0.096 0.000 1.048 697 K CA 1.082 57.450 56.287 0.135 0.000 0.940 697 K CB -0.319 32.240 32.500 0.099 0.000 0.729 697 K HN 0.432 nan 8.250 nan 0.000 0.451 698 Q N 0.888 120.721 119.800 0.055 0.000 2.244 698 Q HA 0.166 4.505 4.340 -0.001 0.000 0.239 698 Q C -0.718 175.300 176.000 0.031 0.000 0.890 698 Q CA -0.138 55.686 55.803 0.035 0.000 0.964 698 Q CB 0.508 29.253 28.738 0.012 0.000 1.076 698 Q HN -0.087 nan 8.270 nan 0.000 0.447 699 V N 0.208 120.159 119.914 0.061 0.000 3.077 699 V HA 0.148 4.267 4.120 -0.001 0.000 0.299 699 V C -0.993 175.221 176.094 0.200 0.000 1.276 699 V CA -1.012 61.338 62.300 0.084 0.000 0.993 699 V CB 2.685 34.477 31.823 -0.051 0.000 1.076 699 V HN 0.207 nan 8.190 nan 0.000 0.434 700 E N 2.607 122.955 120.200 0.246 0.000 2.130 700 E HA 0.397 4.746 4.350 -0.001 0.000 0.284 700 E C -1.652 175.298 176.600 0.584 0.000 1.018 700 E CA -0.336 56.283 56.400 0.365 0.000 0.817 700 E CB 1.352 31.201 29.700 0.247 0.000 1.078 700 E HN 0.519 nan 8.360 nan 0.000 0.396 701 Y N 3.482 124.022 120.300 0.400 0.000 2.393 701 Y HA 0.450 4.999 4.550 -0.001 0.000 0.341 701 Y C -1.498 174.478 175.900 0.128 0.000 0.988 701 Y CA -1.588 56.687 58.100 0.292 0.000 1.078 701 Y CB 1.064 39.747 38.460 0.371 0.000 1.203 701 Y HN 0.400 nan 8.280 nan 0.000 0.453 702 L N 7.772 128.680 121.223 -0.524 0.000 2.345 702 L HA 0.531 4.870 4.340 -0.001 0.000 0.274 702 L C -2.153 174.262 176.870 -0.758 0.000 0.999 702 L CA -0.699 53.704 54.840 -0.728 0.000 0.849 702 L CB 1.096 42.396 42.059 -1.265 0.000 1.220 702 L HN 0.650 nan 8.230 nan 0.000 0.422 703 L N 6.423 127.263 121.223 -0.639 0.000 2.282 703 L HA 0.656 4.996 4.340 -0.001 0.000 0.288 703 L C -0.922 175.804 176.870 -0.241 0.000 1.033 703 L CA 0.116 54.648 54.840 -0.513 0.000 0.807 703 L CB 0.970 42.734 42.059 -0.492 0.000 1.209 703 L HN 0.565 nan 8.230 nan 0.000 0.423 704 I N 4.506 124.945 120.570 -0.218 0.000 2.545 704 I HA 0.437 4.606 4.170 -0.001 0.000 0.292 704 I C -1.058 175.008 176.117 -0.085 0.000 1.040 704 I CA -0.711 60.511 61.300 -0.130 0.000 1.068 704 I CB 1.941 39.823 38.000 -0.197 0.000 1.251 704 I HN 0.656 nan 8.210 nan 0.000 0.424 705 H N 2.202 121.310 119.070 0.063 0.000 2.996 705 H HA 0.561 5.117 4.556 -0.001 0.000 0.368 705 H C -0.347 175.181 175.328 0.333 0.000 1.185 705 H CA -0.535 55.610 56.048 0.162 0.000 1.160 705 H CB 2.190 32.053 29.762 0.167 0.000 1.820 705 H HN 0.717 nan 8.280 nan 0.000 0.547 706 G N 1.254 110.358 108.800 0.506 0.000 2.353 706 G HA2 0.168 4.128 3.960 -0.001 0.000 0.284 706 G HA3 0.168 4.128 3.960 -0.001 0.000 0.284 706 G C 0.734 175.873 174.900 0.399 0.000 1.172 706 G CA -0.170 45.189 45.100 0.431 0.000 0.854 706 G HN 0.716 nan 8.290 nan 0.000 0.485 707 T N 1.882 116.550 114.554 0.191 0.000 2.759 707 T HA -0.068 4.282 4.350 -0.001 0.000 0.269 707 T C 1.980 176.595 174.700 -0.143 0.000 1.042 707 T CA 1.900 63.953 62.100 -0.078 0.000 1.140 707 T CB -0.041 68.828 68.868 0.002 0.000 0.864 707 T HN 0.653 nan 8.240 nan 0.000 0.455 708 A N 1.141 123.906 122.820 -0.092 0.000 2.965 708 A HA 0.275 4.595 4.320 -0.001 0.000 0.304 708 A C 0.027 177.386 177.584 -0.375 0.000 1.214 708 A CA -0.466 51.301 52.037 -0.450 0.000 0.977 708 A CB 0.013 19.024 19.000 0.019 0.000 1.127 708 A HN 0.205 nan 8.150 nan 0.000 0.572 709 D N 1.526 121.849 120.400 -0.130 0.000 2.374 709 D HA 0.007 4.646 4.640 -0.001 0.000 0.240 709 D C 0.248 176.581 176.300 0.055 0.000 1.229 709 D CA 0.040 54.118 54.000 0.130 0.000 0.895 709 D CB 0.699 41.747 40.800 0.414 0.000 1.046 709 D HN 0.588 nan 8.370 nan 0.000 0.498 710 D N 2.389 122.842 120.400 0.088 0.000 2.347 710 D HA -0.140 4.499 4.640 -0.001 0.000 0.213 710 D C 0.979 177.258 176.300 -0.035 0.000 0.985 710 D CA -0.084 53.967 54.000 0.086 0.000 0.879 710 D CB 0.432 41.246 40.800 0.022 0.000 0.919 710 D HN 0.223 nan 8.370 nan 0.000 0.526 711 N N 0.947 119.711 118.700 0.107 0.000 2.244 711 N HA -0.065 4.675 4.740 -0.001 0.000 0.189 711 N C 0.083 175.549 175.510 -0.074 0.000 1.047 711 N CA 0.650 53.789 53.050 0.149 0.000 0.870 711 N CB 0.368 38.881 38.487 0.044 0.000 1.041 711 N HN -0.086 nan 8.380 nan 0.000 0.448 712 V N 3.357 123.258 119.914 -0.022 0.000 2.259 712 V HA 0.177 4.297 4.120 -0.001 0.000 0.267 712 V C 0.515 176.727 176.094 0.197 0.000 1.051 712 V CA -0.567 61.793 62.300 0.099 0.000 0.830 712 V CB 0.309 32.246 31.823 0.191 0.000 1.080 712 V HN 0.362 nan 8.190 nan 0.000 0.467 713 H N 3.314 122.430 119.070 0.076 0.000 2.539 713 H HA -0.252 4.304 4.556 -0.001 0.000 0.295 713 H C 1.581 176.900 175.328 -0.014 0.000 1.092 713 H CA 1.788 57.816 56.048 -0.033 0.000 1.185 713 H CB -0.249 29.398 29.762 -0.193 0.000 1.343 713 H HN 0.799 nan 8.280 nan 0.000 0.577 714 F N -0.348 119.404 119.950 -0.330 0.000 2.518 714 F HA -0.455 4.072 4.527 -0.001 0.000 0.648 714 F C 2.069 177.625 175.800 -0.407 0.000 0.494 714 F CA 1.971 59.485 58.000 -0.809 0.000 0.962 714 F CB -1.117 37.623 39.000 -0.434 0.000 1.777 714 F HN 0.311 nan 8.300 nan 0.000 0.262 715 Q N 0.843 120.565 119.800 -0.130 0.000 2.217 715 Q HA -0.282 4.058 4.340 -0.001 0.000 0.209 715 Q C 1.749 177.548 176.000 -0.335 0.000 0.988 715 Q CA 2.192 57.856 55.803 -0.232 0.000 0.878 715 Q CB -0.243 28.317 28.738 -0.296 0.000 0.909 715 Q HN 0.802 nan 8.270 nan 0.000 0.424 716 Q N -0.107 119.551 119.800 -0.237 0.000 2.002 716 Q HA -0.124 4.216 4.340 -0.001 0.000 0.204 716 Q C 2.296 178.209 176.000 -0.145 0.000 0.988 716 Q CA 1.824 57.599 55.803 -0.047 0.000 0.843 716 Q CB -0.304 28.480 28.738 0.078 0.000 0.908 716 Q HN 0.326 nan 8.270 nan 0.000 0.420 717 S N 1.048 116.552 115.700 -0.326 0.000 2.383 717 S HA -0.072 4.397 4.470 -0.001 0.000 0.227 717 S C 2.079 176.430 174.600 -0.417 0.000 1.026 717 S CA 0.891 58.894 58.200 -0.328 0.000 0.981 717 S CB -0.230 62.772 63.200 -0.329 0.000 0.818 717 S HN 0.490 nan 8.310 nan 0.000 0.472 718 A N 0.877 123.334 122.820 -0.605 0.000 1.972 718 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 718 A C 2.076 179.543 177.584 -0.195 0.000 1.169 718 A CA 1.611 53.412 52.037 -0.393 0.000 0.635 718 A CB -0.537 18.269 19.000 -0.322 0.000 0.810 718 A HN 0.395 nan 8.150 nan 0.000 0.446 719 Q N -0.383 119.319 119.800 -0.165 0.000 2.245 719 Q HA 0.110 4.450 4.340 -0.001 0.000 0.201 719 Q C 1.711 177.665 176.000 -0.077 0.000 0.955 719 Q CA 1.020 56.787 55.803 -0.060 0.000 0.870 719 Q CB -0.292 28.488 28.738 0.069 0.000 0.945 719 Q HN 0.733 nan 8.270 nan 0.000 0.461 720 I N -0.411 120.078 120.570 -0.134 0.000 2.235 720 I HA -0.237 3.932 4.170 -0.001 0.000 0.241 720 I C 2.176 178.130 176.117 -0.272 0.000 1.085 720 I CA 1.195 62.372 61.300 -0.204 0.000 1.378 720 I CB -0.476 37.399 38.000 -0.208 0.000 1.076 720 I HN 0.237 nan 8.210 nan 0.000 0.415 721 S N 1.129 116.673 115.700 -0.260 0.000 2.365 721 S HA -0.314 4.155 4.470 -0.001 0.000 0.225 721 S C 2.036 176.626 174.600 -0.016 0.000 1.039 721 S CA 1.647 59.729 58.200 -0.196 0.000 1.033 721 S CB -0.586 62.643 63.200 0.049 0.000 0.887 721 S HN 0.378 nan 8.310 nan 0.000 0.447 722 K N 1.805 122.189 120.400 -0.027 0.000 2.063 722 K HA -0.070 4.250 4.320 -0.001 0.000 0.208 722 K C 2.359 178.952 176.600 -0.012 0.000 1.048 722 K CA 1.248 57.537 56.287 0.003 0.000 0.928 722 K CB -0.689 31.804 32.500 -0.013 0.000 0.713 722 K HN 0.453 nan 8.250 nan 0.000 0.442 723 A N 1.328 124.110 122.820 -0.065 0.000 1.902 723 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 723 A C 2.130 179.668 177.584 -0.077 0.000 1.181 723 A CA 1.399 53.390 52.037 -0.078 0.000 0.623 723 A CB -0.600 18.324 19.000 -0.126 0.000 0.818 723 A HN 0.334 nan 8.150 nan 0.000 0.443 724 L N -0.640 120.510 121.223 -0.121 0.000 2.093 724 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 724 L C 2.461 179.396 176.870 0.108 0.000 1.085 724 L CA 0.765 55.571 54.840 -0.055 0.000 0.755 724 L CB -0.465 41.505 42.059 -0.147 0.000 0.904 724 L HN 0.236 nan 8.230 nan 0.000 0.435 725 V N -0.300 119.705 119.914 0.151 0.000 2.427 725 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 725 V C 1.932 178.073 176.094 0.079 0.000 1.051 725 V CA 1.726 64.115 62.300 0.148 0.000 1.048 725 V CB -0.469 31.437 31.823 0.139 0.000 0.666 725 V HN 0.433 nan 8.190 nan 0.000 0.456 726 D N 0.415 120.845 120.400 0.050 0.000 2.269 726 D HA -0.014 4.626 4.640 -0.001 0.000 0.208 726 D C 1.999 178.319 176.300 0.034 0.000 0.963 726 D CA 1.344 55.364 54.000 0.033 0.000 0.864 726 D CB -0.011 40.800 40.800 0.019 0.000 0.936 726 D HN 0.477 nan 8.370 nan 0.000 0.505 727 A N -0.016 122.827 122.820 0.037 0.000 2.218 727 A HA 0.392 4.712 4.320 -0.001 0.000 0.209 727 A C 1.644 179.264 177.584 0.060 0.000 1.168 727 A CA 0.848 52.910 52.037 0.041 0.000 0.804 727 A CB -0.176 18.842 19.000 0.031 0.000 0.834 727 A HN 0.193 nan 8.150 nan 0.000 0.482 728 G N -0.762 108.080 108.800 0.071 0.000 2.272 728 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.280 728 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.280 728 G C -0.100 174.860 174.900 0.100 0.000 1.067 728 G CA 0.253 45.398 45.100 0.075 0.000 0.902 728 G HN 0.871 nan 8.290 nan 0.000 0.500 729 V N 0.453 120.454 119.914 0.144 0.000 2.357 729 V HA 0.439 4.559 4.120 -0.001 0.000 0.284 729 V C 0.385 176.644 176.094 0.275 0.000 1.018 729 V CA -0.740 61.678 62.300 0.198 0.000 0.841 729 V CB 1.668 33.621 31.823 0.217 0.000 0.991 729 V HN 0.433 nan 8.190 nan 0.000 0.437 730 D N 4.022 124.543 120.400 0.202 0.000 2.362 730 D HA 0.567 5.207 4.640 -0.001 0.000 0.242 730 D C -0.488 175.988 176.300 0.292 0.000 1.132 730 D CA 0.344 54.424 54.000 0.134 0.000 0.907 730 D CB 0.739 41.577 40.800 0.062 0.000 1.195 730 D HN 0.399 nan 8.370 nan 0.000 0.429 731 F N -1.032 119.005 119.950 0.145 0.000 2.817 731 F HA 0.436 4.962 4.527 -0.001 0.000 0.317 731 F C -1.607 174.258 175.800 0.108 0.000 1.168 731 F CA -1.089 57.022 58.000 0.186 0.000 0.911 731 F CB 0.848 40.006 39.000 0.262 0.000 1.337 731 F HN 0.199 nan 8.300 nan 0.000 0.464 732 Q N 1.279 121.236 119.800 0.263 0.000 2.312 732 Q HA 0.822 5.161 4.340 -0.001 0.000 0.263 732 Q C -0.976 175.123 176.000 0.165 0.000 0.995 732 Q CA -1.152 54.709 55.803 0.096 0.000 0.853 732 Q CB 2.361 31.180 28.738 0.136 0.000 1.300 732 Q HN 0.965 nan 8.270 nan 0.000 0.448 733 A N 2.179 125.049 122.820 0.084 0.000 2.437 733 A HA 0.935 5.254 4.320 -0.001 0.000 0.292 733 A C -1.289 176.260 177.584 -0.058 0.000 1.173 733 A CA -0.621 51.473 52.037 0.095 0.000 0.785 733 A CB 1.856 21.014 19.000 0.263 0.000 1.351 733 A HN 0.652 nan 8.150 nan 0.000 0.431 734 M N 0.645 120.187 119.600 -0.098 0.000 2.331 734 M HA 0.485 4.964 4.480 -0.001 0.000 0.249 734 M C -2.167 173.995 176.300 -0.230 0.000 1.010 734 M CA -0.434 54.654 55.300 -0.354 0.000 0.939 734 M CB 0.908 33.217 32.600 -0.485 0.000 2.126 734 M HN 0.947 nan 8.290 nan 0.000 0.472 735 W N 4.342 125.488 121.300 -0.257 0.000 2.516 735 W HA 0.787 5.447 4.660 -0.001 0.000 0.343 735 W C -1.960 174.300 176.519 -0.432 0.000 1.094 735 W CA -0.913 56.356 57.345 -0.126 0.000 1.250 735 W CB 0.400 29.860 29.460 -0.001 0.000 1.308 735 W HN 0.627 nan 8.180 nan 0.000 0.588 736 Y N 2.491 122.914 120.300 0.206 0.000 2.464 736 Y HA 0.276 4.825 4.550 -0.001 0.000 0.326 736 Y C 0.553 176.550 175.900 0.161 0.000 0.969 736 Y CA -0.979 57.160 58.100 0.066 0.000 1.270 736 Y CB 1.278 39.739 38.460 0.002 0.000 1.103 736 Y HN 0.424 nan 8.280 nan 0.000 0.491 737 T N 4.574 119.287 114.554 0.264 0.000 2.800 737 T HA -0.079 4.270 4.350 -0.001 0.000 0.283 737 T C 0.240 175.014 174.700 0.123 0.000 0.999 737 T CA 0.818 63.017 62.100 0.165 0.000 1.176 737 T CB -0.218 68.688 68.868 0.063 0.000 0.973 737 T HN 0.700 nan 8.240 nan 0.000 0.519 738 D N 0.944 121.408 120.400 0.106 0.000 3.077 738 D HA -0.124 4.515 4.640 -0.001 0.000 0.217 738 D C 0.333 176.749 176.300 0.194 0.000 1.162 738 D CA 1.106 55.142 54.000 0.060 0.000 0.943 738 D CB -0.344 40.333 40.800 -0.205 0.000 1.122 738 D HN 0.539 nan 8.370 nan 0.000 0.413 739 E N 0.660 120.980 120.200 0.199 0.000 2.319 739 E HA 0.191 4.541 4.350 -0.001 0.000 0.268 739 E C 0.784 177.510 176.600 0.211 0.000 1.050 739 E CA -0.309 56.215 56.400 0.206 0.000 0.878 739 E CB 0.974 30.795 29.700 0.201 0.000 1.066 739 E HN 0.106 nan 8.360 nan 0.000 0.406 740 D N 0.041 120.570 120.400 0.216 0.000 2.228 740 D HA -0.083 4.557 4.640 -0.001 0.000 0.259 740 D C 0.995 177.461 176.300 0.276 0.000 1.249 740 D CA 0.163 54.309 54.000 0.244 0.000 0.997 740 D CB 0.382 41.324 40.800 0.236 0.000 1.151 740 D HN 0.490 nan 8.370 nan 0.000 0.536 741 H N -1.419 117.786 119.070 0.224 0.000 2.548 741 H HA 0.177 4.733 4.556 -0.001 0.000 0.268 741 H C 1.362 176.894 175.328 0.339 0.000 0.975 741 H CA 1.444 57.647 56.048 0.257 0.000 1.195 741 H CB 0.017 29.925 29.762 0.244 0.000 1.397 741 H HN 0.286 nan 8.280 nan 0.000 0.572 742 G N -0.219 108.668 108.800 0.145 0.000 3.126 742 G HA2 0.122 4.081 3.960 -0.001 0.000 0.224 742 G HA3 0.122 4.081 3.960 -0.001 0.000 0.224 742 G C 0.429 175.457 174.900 0.213 0.000 1.142 742 G CA 0.077 45.205 45.100 0.047 0.000 0.759 742 G HN 0.463 nan 8.290 nan 0.000 0.550 743 I N 0.155 120.857 120.570 0.219 0.000 5.115 743 I HA -0.332 3.838 4.170 -0.001 0.000 0.126 743 I C 1.483 177.671 176.117 0.119 0.000 1.316 743 I CA 0.259 61.634 61.300 0.125 0.000 2.641 743 I CB -1.061 36.955 38.000 0.026 0.000 2.272 743 I HN 0.252 nan 8.210 nan 0.000 0.321 744 A N 1.286 124.159 122.820 0.088 0.000 2.465 744 A HA 0.358 4.678 4.320 -0.001 0.000 0.255 744 A C 1.139 178.742 177.584 0.032 0.000 1.274 744 A CA 0.456 52.515 52.037 0.036 0.000 0.920 744 A CB 0.117 19.091 19.000 -0.044 0.000 1.033 744 A HN 0.619 nan 8.150 nan 0.000 0.516 745 S N -0.687 115.052 115.700 0.066 0.000 2.580 745 S HA 0.192 4.662 4.470 -0.001 0.000 0.266 745 S C 1.269 175.914 174.600 0.075 0.000 1.354 745 S CA 0.352 58.591 58.200 0.066 0.000 1.008 745 S CB 1.007 64.257 63.200 0.084 0.000 0.898 745 S HN 0.429 nan 8.310 nan 0.000 0.555 746 S N 1.464 117.200 115.700 0.060 0.000 2.363 746 S HA -0.178 4.292 4.470 -0.001 0.000 0.218 746 S C 2.225 176.885 174.600 0.100 0.000 1.035 746 S CA 2.341 60.585 58.200 0.074 0.000 1.043 746 S CB -1.766 61.459 63.200 0.042 0.000 0.986 746 S HN 1.054 nan 8.310 nan 0.000 0.423 747 T N 0.705 115.307 114.554 0.080 0.000 2.699 747 T HA -0.095 4.254 4.350 -0.001 0.000 0.268 747 T C 1.907 176.672 174.700 0.109 0.000 1.036 747 T CA 1.751 63.904 62.100 0.090 0.000 1.147 747 T CB -1.092 67.825 68.868 0.081 0.000 0.862 747 T HN 0.518 nan 8.240 nan 0.000 0.446 748 A N 1.618 124.485 122.820 0.079 0.000 1.873 748 A HA -0.086 4.234 4.320 -0.001 0.000 0.215 748 A C 2.218 179.778 177.584 -0.039 0.000 1.186 748 A CA 2.034 54.066 52.037 -0.009 0.000 0.616 748 A CB -1.308 17.657 19.000 -0.059 0.000 0.823 748 A HN 0.733 nan 8.150 nan 0.000 0.442 749 H N 0.144 119.196 119.070 -0.029 0.000 2.319 749 H HA -0.189 4.366 4.556 -0.001 0.000 0.297 749 H C 2.120 177.517 175.328 0.114 0.000 1.097 749 H CA 2.481 58.559 56.048 0.051 0.000 1.285 749 H CB -0.252 29.543 29.762 0.055 0.000 1.368 749 H HN 0.610 nan 8.280 nan 0.000 0.495 750 Q N -0.971 118.803 119.800 -0.043 0.000 2.020 750 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 750 Q C 2.305 178.280 176.000 -0.042 0.000 0.982 750 Q CA 1.346 57.091 55.803 -0.097 0.000 0.838 750 Q CB -0.382 28.346 28.738 -0.017 0.000 0.899 750 Q HN 0.635 nan 8.270 nan 0.000 0.423 751 H N 1.058 120.101 119.070 -0.045 0.000 2.319 751 H HA -0.116 4.440 4.556 -0.001 0.000 0.299 751 H C 1.985 177.307 175.328 -0.010 0.000 1.092 751 H CA 1.523 57.581 56.048 0.016 0.000 1.302 751 H CB -0.144 29.687 29.762 0.115 0.000 1.373 751 H HN 0.282 nan 8.280 nan 0.000 0.497 752 I N -0.130 120.441 120.570 0.001 0.000 2.493 752 I HA -0.286 3.884 4.170 -0.001 0.000 0.254 752 I C 1.639 177.532 176.117 -0.374 0.000 1.160 752 I CA 1.077 62.270 61.300 -0.179 0.000 1.445 752 I CB -0.219 37.452 38.000 -0.549 0.000 1.086 752 I HN 0.147 nan 8.210 nan 0.000 0.433 753 Y N 0.195 120.288 120.300 -0.346 0.000 2.365 753 Y HA -0.110 4.440 4.550 -0.001 0.000 0.293 753 Y C 2.775 178.409 175.900 -0.444 0.000 1.119 753 Y CA 1.305 59.057 58.100 -0.579 0.000 1.203 753 Y CB -0.033 38.055 38.460 -0.620 0.000 1.026 753 Y HN 0.127 nan 8.280 nan 0.000 0.549 754 S N -1.079 114.504 115.700 -0.196 0.000 2.355 754 S HA -0.253 4.217 4.470 -0.001 0.000 0.222 754 S C 1.679 176.017 174.600 -0.438 0.000 1.031 754 S CA 1.579 59.584 58.200 -0.326 0.000 0.993 754 S CB -0.526 62.526 63.200 -0.246 0.000 0.859 754 S HN 0.545 nan 8.310 nan 0.000 0.453 755 H N 1.180 120.081 119.070 -0.282 0.000 2.387 755 H HA 0.091 4.647 4.556 -0.001 0.000 0.299 755 H C 1.997 177.280 175.328 -0.075 0.000 1.090 755 H CA 1.640 57.621 56.048 -0.112 0.000 1.332 755 H CB -0.153 29.598 29.762 -0.019 0.000 1.386 755 H HN 0.293 nan 8.280 nan 0.000 0.516 756 M N -0.971 118.571 119.600 -0.097 0.000 2.254 756 M HA -0.130 4.350 4.480 -0.001 0.000 0.265 756 M C 2.400 178.788 176.300 0.146 0.000 1.066 756 M CA 1.201 56.448 55.300 -0.088 0.000 1.123 756 M CB 0.153 32.460 32.600 -0.489 0.000 1.388 756 M HN 0.204 nan 8.290 nan 0.000 0.425 757 S N -0.399 115.380 115.700 0.131 0.000 2.343 757 S HA -0.161 4.308 4.470 -0.001 0.000 0.219 757 S C 1.693 176.375 174.600 0.137 0.000 1.033 757 S CA 1.163 59.539 58.200 0.293 0.000 1.014 757 S CB -0.667 62.645 63.200 0.186 0.000 0.915 757 S HN 0.471 nan 8.310 nan 0.000 0.435 758 H N 0.047 119.171 119.070 0.089 0.000 2.422 758 H HA -0.065 4.491 4.556 -0.001 0.000 0.298 758 H C 1.911 177.225 175.328 -0.024 0.000 1.098 758 H CA 1.160 57.209 56.048 0.002 0.000 1.315 758 H CB -0.762 28.951 29.762 -0.081 0.000 1.382 758 H HN 0.450 nan 8.280 nan 0.000 0.523 759 F N 1.184 121.107 119.950 -0.044 0.000 2.134 759 F HA -0.124 4.403 4.527 -0.001 0.000 0.299 759 F C 2.325 178.079 175.800 -0.076 0.000 1.097 759 F CA 0.891 58.844 58.000 -0.078 0.000 1.264 759 F CB -0.466 38.481 39.000 -0.088 0.000 1.001 759 F HN -0.011 nan 8.300 nan 0.000 0.479 760 L N -0.212 120.989 121.223 -0.035 0.000 2.056 760 L HA -0.227 4.112 4.340 -0.001 0.000 0.207 760 L C 2.529 179.244 176.870 -0.258 0.000 1.078 760 L CA 1.433 56.103 54.840 -0.283 0.000 0.749 760 L CB -0.783 41.204 42.059 -0.119 0.000 0.901 760 L HN 0.217 nan 8.230 nan 0.000 0.433 761 Q N -0.461 119.318 119.800 -0.035 0.000 2.061 761 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 761 Q C 2.261 178.244 176.000 -0.028 0.000 0.984 761 Q CA 1.775 57.602 55.803 0.041 0.000 0.846 761 Q CB -0.121 28.689 28.738 0.120 0.000 0.902 761 Q HN 0.559 nan 8.270 nan 0.000 0.421 762 Q N -0.381 119.353 119.800 -0.110 0.000 2.050 762 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 762 Q C 2.429 178.310 176.000 -0.198 0.000 0.980 762 Q CA 1.372 57.089 55.803 -0.144 0.000 0.840 762 Q CB -0.377 28.250 28.738 -0.184 0.000 0.898 762 Q HN 0.451 nan 8.270 nan 0.000 0.424 763 c N 0.016 118.381 118.600 -0.392 0.000 2.425 763 c HA -0.099 4.471 4.570 -0.001 0.000 0.277 763 c C 1.998 176.037 174.090 -0.084 0.000 1.280 763 c CA 0.492 56.595 56.329 -0.377 0.000 1.744 763 c CB -0.944 41.159 42.510 -0.679 0.000 1.989 763 c HN 0.486 nan 8.230 nan 0.000 0.491 764 F N 0.809 120.709 119.950 -0.083 0.000 2.692 764 F HA 0.134 4.661 4.527 -0.001 0.000 0.303 764 F C 1.567 177.346 175.800 -0.035 0.000 1.114 764 F CA 0.146 58.121 58.000 -0.041 0.000 1.361 764 F CB -0.053 38.933 39.000 -0.024 0.000 1.063 764 F HN 0.187 nan 8.300 nan 0.000 0.550 765 S N 0.411 116.186 115.700 0.124 0.000 3.476 765 S HA -0.210 4.260 4.470 -0.001 0.000 0.309 765 S C 0.818 175.454 174.600 0.059 0.000 1.222 765 S CA 0.524 58.762 58.200 0.063 0.000 0.922 765 S CB -1.930 61.299 63.200 0.049 0.000 1.023 765 S HN 0.366 nan 8.310 nan 0.000 0.591 766 L N 0.114 121.388 121.223 0.085 0.000 2.511 766 L HA 0.446 4.785 4.340 -0.001 0.000 0.184 766 L C 1.465 178.367 176.870 0.054 0.000 1.382 766 L CA -0.352 54.530 54.840 0.071 0.000 3.034 766 L CB -0.563 41.556 42.059 0.100 0.000 2.913 766 L HN 0.478 nan 8.230 nan 0.000 1.071 767 R N 0.000 120.542 120.500 0.070 0.000 2.786 767 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 767 R CA 0.000 56.139 56.100 0.065 0.000 0.921 767 R CB 0.000 30.336 30.300 0.060 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535