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 1b25_1_C DATA FIRST_RESID 1 DATA SEQUENCE MYGWWGRILR VNLTTGEVKV QEYPEEVAKK FIGGRGLAAW ILWNEARGVE DATA SEQUENCE PLSPENKLIF AAGPFNGLPT PSGGKLVVAA KSPLTGGYGD GNLGTMASVH DATA SEQUENCE LRRAGYDALV VEGKAKKPVY IYIEDDNVSI LSAEGLWGKT TFETERELKE DATA SEQUENCE IHGKNVGVLT IGPAGENLVK YAVVISQEGR AAGRPGMGAV MGSKKLKAVV DATA SEQUENCE IRGTKEIPVA DKEELKKLSQ EAYNEILNSP GYPFWKRQGT MAAVEWCNTN DATA SEQUENCE YALPTRNFSD GYFEFARSID GYTMEGMKVQ QRGCPYCNMP CGNVVLDAEG DATA SEQUENCE QESELDYENV ALLGSNLGIG KLNEVSVLNR IADEMGMDTI SLGVSIAHVM DATA SEQUENCE EAVERGILKE GPTFGDFKGA KQLALDIAYR KGELGNLAAE GVKAMAEKLG DATA SEQUENCE THDFAMHVKG LEVSGYNCYI YPAMALAYGT SAIGAHHKEA WVIAWEIGTA DATA SEQUENCE PIEXXXXXXX XYKISYDPIK AQKVVELQRL RGGLFEMLTA CRLPWVEVGL DATA SEQUENCE SLDYYPKLLK AITGVTYTWD DLYKAADRVY SLIRAYWVRE FNGKWDRKMD DATA SEQUENCE YPPKRWFTEG LKSGPHKGEH LDEKKYDELL SEYYRIRGWD ERGIPKKETL DATA SEQUENCE KELDLDFVIP ELEKVTNLE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.146 176.300 -0.256 0.000 1.140 1 M CA 0.000 55.233 55.300 -0.112 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 Y N 1.869 122.181 120.300 0.020 0.000 2.528 2 Y HA 0.760 5.309 4.550 -0.000 0.000 0.335 2 Y C 1.112 176.889 175.900 -0.205 0.000 1.093 2 Y CA 1.095 59.127 58.100 -0.112 0.000 1.134 2 Y CB 1.977 40.358 38.460 -0.131 0.000 1.253 2 Y HN 0.956 nan 8.280 nan 0.000 0.478 3 G N 0.110 108.820 108.800 -0.150 0.000 5.229 3 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.250 3 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.250 3 G C -0.015 174.676 174.900 -0.348 0.000 1.380 3 G CA 0.065 44.943 45.100 -0.370 0.000 0.933 3 G HN 0.560 nan 8.290 nan 0.000 0.731 4 W N 0.479 121.718 121.300 -0.102 0.000 2.184 4 W HA 0.568 5.228 4.660 -0.000 0.000 0.338 4 W C 0.967 177.416 176.519 -0.118 0.000 1.257 4 W CA -0.448 56.868 57.345 -0.048 0.000 1.243 4 W CB 0.084 29.563 29.460 0.033 0.000 1.122 4 W HN 0.440 nan 8.180 nan 0.000 0.585 5 W N -0.263 121.199 121.300 0.271 0.000 2.704 5 W HA 0.169 4.829 4.660 -0.000 0.000 0.266 5 W C 1.828 178.377 176.519 0.050 0.000 1.266 5 W CA 0.770 58.193 57.345 0.129 0.000 1.377 5 W CB 0.038 29.569 29.460 0.117 0.000 1.082 5 W HN 0.692 nan 8.180 nan 0.000 0.608 6 G N 1.347 110.281 108.800 0.222 0.000 2.160 6 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.251 6 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.251 6 G C -0.053 174.874 174.900 0.046 0.000 1.008 6 G CA -0.294 44.625 45.100 -0.302 0.000 0.724 6 G HN 0.262 nan 8.290 nan 0.000 0.514 7 R N -0.864 119.879 120.500 0.405 0.000 2.621 7 R HA 0.737 5.076 4.340 -0.000 0.000 0.292 7 R C -0.415 176.188 176.300 0.506 0.000 0.969 7 R CA -0.852 55.493 56.100 0.408 0.000 0.887 7 R CB 1.823 32.273 30.300 0.249 0.000 1.180 7 R HN 0.210 nan 8.270 nan 0.000 0.450 8 I N 3.374 124.189 120.570 0.408 0.000 2.466 8 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 8 I C -0.780 175.434 176.117 0.162 0.000 1.026 8 I CA -1.143 60.329 61.300 0.288 0.000 1.078 8 I CB 1.957 40.077 38.000 0.199 0.000 1.249 8 I HN 0.298 nan 8.210 nan 0.000 0.429 9 L N 7.446 128.669 121.223 -0.000 0.000 2.367 9 L HA 0.375 4.715 4.340 -0.000 0.000 0.275 9 L C -0.307 176.499 176.870 -0.107 0.000 1.129 9 L CA 0.360 55.049 54.840 -0.250 0.000 0.839 9 L CB 0.030 41.604 42.059 -0.809 0.000 1.133 9 L HN 0.452 nan 8.230 nan 0.000 0.453 10 R N 4.577 125.034 120.500 -0.073 0.000 2.437 10 R HA 0.625 4.965 4.340 -0.000 0.000 0.310 10 R C -1.468 174.807 176.300 -0.041 0.000 0.955 10 R CA -0.677 55.402 56.100 -0.035 0.000 0.851 10 R CB 1.732 32.026 30.300 -0.010 0.000 1.161 10 R HN 0.458 nan 8.270 nan 0.000 0.446 11 V N 3.526 123.424 119.914 -0.027 0.000 2.483 11 V HA 0.287 4.407 4.120 -0.000 0.000 0.297 11 V C -0.248 175.839 176.094 -0.012 0.000 1.027 11 V CA -0.989 61.298 62.300 -0.023 0.000 0.855 11 V CB 2.005 33.815 31.823 -0.021 0.000 0.995 11 V HN 0.553 nan 8.190 nan 0.000 0.424 12 N N 4.544 123.233 118.700 -0.017 0.000 2.501 12 N HA 0.385 5.125 4.740 -0.000 0.000 0.245 12 N C 0.629 176.129 175.510 -0.018 0.000 0.974 12 N CA -0.381 52.659 53.050 -0.017 0.000 0.941 12 N CB 1.622 40.096 38.487 -0.021 0.000 1.122 12 N HN 0.651 nan 8.380 nan 0.000 0.507 13 L N 1.807 123.022 121.223 -0.013 0.000 2.291 13 L HA -0.057 4.283 4.340 -0.000 0.000 0.214 13 L C 1.730 178.585 176.870 -0.025 0.000 1.120 13 L CA 0.815 55.645 54.840 -0.016 0.000 0.799 13 L CB -0.167 41.888 42.059 -0.006 0.000 0.925 13 L HN 0.466 nan 8.230 nan 0.000 0.446 14 T N -1.216 113.323 114.554 -0.025 0.000 2.732 14 T HA -0.137 4.213 4.350 -0.000 0.000 0.261 14 T C 1.931 176.614 174.700 -0.029 0.000 1.040 14 T CA 1.971 64.054 62.100 -0.029 0.000 1.145 14 T CB -0.194 68.658 68.868 -0.028 0.000 0.866 14 T HN 0.490 nan 8.240 nan 0.000 0.427 15 T N -1.376 113.162 114.554 -0.026 0.000 3.057 15 T HA 0.376 4.726 4.350 -0.000 0.000 0.254 15 T C 1.835 176.519 174.700 -0.026 0.000 1.094 15 T CA 0.943 63.028 62.100 -0.025 0.000 1.088 15 T CB -0.086 68.768 68.868 -0.023 0.000 0.934 15 T HN 0.550 nan 8.240 nan 0.000 0.497 16 G N 1.244 110.028 108.800 -0.027 0.000 2.159 16 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 16 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 16 G C -0.181 174.703 174.900 -0.027 0.000 0.977 16 G CA 0.262 45.344 45.100 -0.029 0.000 0.652 16 G HN 0.832 nan 8.290 nan 0.000 0.531 17 E N 0.263 120.450 120.200 -0.023 0.000 2.316 17 E HA 0.460 4.809 4.350 -0.000 0.000 0.275 17 E C -0.304 176.283 176.600 -0.021 0.000 1.029 17 E CA -0.386 56.002 56.400 -0.020 0.000 0.871 17 E CB 0.930 30.620 29.700 -0.017 0.000 1.022 17 E HN 0.138 nan 8.360 nan 0.000 0.418 18 V N 5.681 125.584 119.914 -0.019 0.000 2.487 18 V HA 0.412 4.532 4.120 -0.000 0.000 0.298 18 V C -0.288 175.799 176.094 -0.012 0.000 1.028 18 V CA -0.557 61.729 62.300 -0.023 0.000 0.860 18 V CB 1.518 33.324 31.823 -0.028 0.000 0.991 18 V HN 0.741 nan 8.190 nan 0.000 0.427 19 K N 2.954 123.347 120.400 -0.011 0.000 2.522 19 K HA 0.859 5.179 4.320 -0.000 0.000 0.275 19 K C -2.020 174.593 176.600 0.021 0.000 1.006 19 K CA -0.923 55.370 56.287 0.010 0.000 0.890 19 K CB 2.460 34.968 32.500 0.014 0.000 1.475 19 K HN 0.218 nan 8.250 nan 0.000 0.441 20 V N 1.632 121.580 119.914 0.057 0.000 2.417 20 V HA 0.264 4.384 4.120 -0.000 0.000 0.291 20 V C -0.598 175.561 176.094 0.109 0.000 1.024 20 V CA -0.638 61.723 62.300 0.102 0.000 0.861 20 V CB 1.247 33.161 31.823 0.151 0.000 0.985 20 V HN 0.772 nan 8.190 nan 0.000 0.436 21 Q N 4.263 124.144 119.800 0.135 0.000 2.278 21 Q HA 0.394 4.734 4.340 -0.000 0.000 0.257 21 Q C -0.663 175.478 176.000 0.235 0.000 0.928 21 Q CA -0.498 55.399 55.803 0.157 0.000 0.932 21 Q CB 1.321 30.145 28.738 0.144 0.000 1.221 21 Q HN 0.751 nan 8.270 nan 0.000 0.434 22 E N 3.622 123.946 120.200 0.206 0.000 2.216 22 E HA 0.245 4.594 4.350 -0.000 0.000 0.279 22 E C -1.235 175.535 176.600 0.284 0.000 0.997 22 E CA -0.582 55.945 56.400 0.211 0.000 0.817 22 E CB 1.121 30.889 29.700 0.115 0.000 1.096 22 E HN 0.527 nan 8.360 nan 0.000 0.393 23 Y N 0.002 120.377 120.300 0.126 0.000 2.536 23 Y HA 0.589 5.139 4.550 -0.000 0.000 0.347 23 Y C -2.798 173.108 175.900 0.011 0.000 1.000 23 Y CA -3.436 54.732 58.100 0.113 0.000 1.051 23 Y CB 0.401 38.961 38.460 0.166 0.000 1.259 23 Y HN 0.262 nan 8.280 nan 0.000 0.468 24 P HA 0.070 nan 4.420 nan 0.000 0.272 24 P C 0.153 177.253 177.300 -0.333 0.000 1.223 24 P CA -0.080 62.920 63.100 -0.167 0.000 0.784 24 P CB 1.588 33.251 31.700 -0.062 0.000 0.923 25 E N 0.863 120.879 120.200 -0.307 0.000 2.267 25 E HA -0.234 4.115 4.350 -0.000 0.000 0.197 25 E C 0.975 177.343 176.600 -0.386 0.000 0.998 25 E CA 1.219 57.393 56.400 -0.377 0.000 0.830 25 E CB 0.146 29.723 29.700 -0.205 0.000 0.751 25 E HN 0.377 nan 8.360 nan 0.000 0.491 26 E N -0.282 119.768 120.200 -0.250 0.000 2.106 26 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 26 E C 1.984 178.435 176.600 -0.248 0.000 0.984 26 E CA 0.845 57.118 56.400 -0.212 0.000 0.806 26 E CB -0.071 29.552 29.700 -0.129 0.000 0.750 26 E HN 0.116 nan 8.360 nan 0.000 0.458 27 V N 0.746 120.515 119.914 -0.243 0.000 2.379 27 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 27 V C 2.163 178.128 176.094 -0.216 0.000 1.044 27 V CA 1.617 63.758 62.300 -0.265 0.000 1.036 27 V CB -0.732 30.804 31.823 -0.478 0.000 0.664 27 V HN 0.324 nan 8.190 nan 0.000 0.453 28 A N -0.087 122.539 122.820 -0.323 0.000 1.902 28 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 28 A C 2.283 179.406 177.584 -0.769 0.000 1.181 28 A CA 1.998 53.651 52.037 -0.640 0.000 0.623 28 A CB -0.417 17.759 19.000 -1.374 0.000 0.818 28 A HN 0.533 nan 8.150 nan 0.000 0.443 29 K N -0.492 119.482 120.400 -0.710 0.000 2.097 29 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 29 K C 2.211 178.792 176.600 -0.031 0.000 1.050 29 K CA 1.594 57.742 56.287 -0.232 0.000 0.938 29 K CB -0.118 32.267 32.500 -0.191 0.000 0.718 29 K HN 0.506 nan 8.250 nan 0.000 0.442 30 K N 0.066 120.331 120.400 -0.225 0.000 2.057 30 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 30 K C 1.201 177.509 176.600 -0.487 0.000 1.050 30 K CA 1.331 57.380 56.287 -0.398 0.000 0.935 30 K CB 0.103 32.229 32.500 -0.624 0.000 0.715 30 K HN 0.015 nan 8.250 nan 0.000 0.439 31 F N 0.003 119.920 119.950 -0.056 0.000 2.704 31 F HA 0.304 4.831 4.527 -0.000 0.000 0.304 31 F C 1.153 176.987 175.800 0.057 0.000 1.094 31 F CA -0.056 57.939 58.000 -0.007 0.000 1.275 31 F CB 0.273 39.236 39.000 -0.063 0.000 1.073 31 F HN -0.034 nan 8.300 nan 0.000 0.586 32 I N -0.941 119.772 120.570 0.239 0.000 4.473 32 I HA -0.412 3.757 4.170 -0.000 0.000 0.062 32 I C 1.104 177.491 176.117 0.449 0.000 0.603 32 I CA 1.550 63.065 61.300 0.359 0.000 0.966 32 I CB -1.432 36.655 38.000 0.145 0.000 0.870 32 I HN 0.335 nan 8.210 nan 0.000 0.168 33 G N -1.672 107.307 108.800 0.299 0.000 2.333 33 G HA2 0.524 4.484 3.960 -0.000 0.000 0.288 33 G HA3 0.524 4.484 3.960 -0.000 0.000 0.288 33 G C 0.142 175.164 174.900 0.203 0.000 1.286 33 G CA 0.191 45.460 45.100 0.282 0.000 0.865 33 G HN 1.505 nan 8.290 nan 0.000 0.506 34 G N 0.168 109.085 108.800 0.194 0.000 2.685 34 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.329 34 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.329 34 G C 1.582 176.576 174.900 0.156 0.000 1.271 34 G CA 2.261 47.462 45.100 0.168 0.000 1.003 34 G HN 1.587 nan 8.290 nan 0.000 0.549 35 R N 1.187 121.781 120.500 0.157 0.000 2.105 35 R HA -0.011 4.329 4.340 -0.000 0.000 0.239 35 R C 2.812 179.188 176.300 0.127 0.000 1.135 35 R CA 2.495 58.697 56.100 0.169 0.000 0.967 35 R CB -1.059 29.341 30.300 0.167 0.000 0.861 35 R HN 0.737 nan 8.270 nan 0.000 0.442 36 G N 1.371 110.263 108.800 0.153 0.000 2.421 36 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.216 36 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.216 36 G C 1.303 176.245 174.900 0.071 0.000 1.171 36 G CA 0.694 45.918 45.100 0.206 0.000 0.775 36 G HN 0.320 nan 8.290 nan 0.000 0.543 37 L N 1.275 122.556 121.223 0.098 0.000 2.093 37 L HA 0.212 4.552 4.340 -0.000 0.000 0.208 37 L C 3.073 179.978 176.870 0.059 0.000 1.085 37 L CA 1.988 56.848 54.840 0.034 0.000 0.755 37 L CB -0.616 41.477 42.059 0.057 0.000 0.904 37 L HN 0.237 nan 8.230 nan 0.000 0.435 38 A N -0.556 122.312 122.820 0.080 0.000 1.902 38 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 38 A C 2.437 180.076 177.584 0.091 0.000 1.181 38 A CA 1.723 53.812 52.037 0.088 0.000 0.623 38 A CB -1.090 17.990 19.000 0.134 0.000 0.818 38 A HN 0.541 nan 8.150 nan 0.000 0.443 39 A N -1.638 121.208 122.820 0.043 0.000 1.930 39 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 39 A C 1.954 179.518 177.584 -0.033 0.000 1.175 39 A CA 1.528 53.523 52.037 -0.071 0.000 0.627 39 A CB -0.822 18.035 19.000 -0.237 0.000 0.815 39 A HN 0.874 nan 8.150 nan 0.000 0.443 40 W N 0.750 121.808 121.300 -0.404 0.000 2.358 40 W HA -0.140 4.520 4.660 -0.000 0.000 0.303 40 W C 1.695 178.114 176.519 -0.167 0.000 1.208 40 W CA 1.815 58.877 57.345 -0.472 0.000 1.274 40 W CB -0.304 28.597 29.460 -0.932 0.000 1.138 40 W HN 0.288 nan 8.180 nan 0.000 0.515 41 I N 0.242 120.703 120.570 -0.182 0.000 2.202 41 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 41 I C 2.445 178.439 176.117 -0.206 0.000 1.091 41 I CA 1.308 62.414 61.300 -0.323 0.000 1.368 41 I CB -0.756 37.148 38.000 -0.160 0.000 1.058 41 I HN -0.026 nan 8.210 nan 0.000 0.410 42 L N -0.259 120.904 121.223 -0.101 0.000 2.141 42 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 42 L C 2.490 179.411 176.870 0.085 0.000 1.094 42 L CA 1.167 55.954 54.840 -0.088 0.000 0.763 42 L CB -0.600 41.300 42.059 -0.266 0.000 0.908 42 L HN 0.568 nan 8.230 nan 0.000 0.437 43 W N 1.599 122.886 121.300 -0.022 0.000 2.355 43 W HA -0.217 4.442 4.660 -0.000 0.000 0.309 43 W C 2.044 178.574 176.519 0.019 0.000 1.206 43 W CA 1.571 59.008 57.345 0.153 0.000 1.284 43 W CB -0.221 29.328 29.460 0.147 0.000 1.145 43 W HN 0.258 nan 8.180 nan 0.000 0.502 44 N N 0.267 118.904 118.700 -0.105 0.000 2.354 44 N HA -0.105 4.635 4.740 -0.000 0.000 0.179 44 N C 0.886 176.249 175.510 -0.246 0.000 1.021 44 N CA 1.385 54.281 53.050 -0.256 0.000 0.887 44 N CB -0.151 38.109 38.487 -0.379 0.000 0.974 44 N HN 0.464 nan 8.380 nan 0.000 0.437 45 E N -0.664 119.415 120.200 -0.201 0.000 2.601 45 E HA 0.284 4.634 4.350 -0.000 0.000 0.219 45 E C -0.131 176.405 176.600 -0.106 0.000 0.964 45 E CA -0.162 56.143 56.400 -0.159 0.000 1.050 45 E CB 1.058 30.657 29.700 -0.169 0.000 1.068 45 E HN 0.109 nan 8.360 nan 0.000 0.496 46 A N 1.954 124.740 122.820 -0.058 0.000 2.956 46 A HA 0.252 4.571 4.320 -0.000 0.000 0.294 46 A C -0.034 177.545 177.584 -0.010 0.000 0.993 46 A CA -0.475 51.564 52.037 0.003 0.000 1.032 46 A CB -0.149 18.896 19.000 0.075 0.000 1.129 46 A HN 0.015 nan 8.150 nan 0.000 0.505 47 R N 0.519 120.938 120.500 -0.134 0.000 2.242 47 R HA 0.429 4.769 4.340 -0.000 0.000 0.334 47 R C 1.157 177.343 176.300 -0.189 0.000 1.071 47 R CA 1.142 57.100 56.100 -0.237 0.000 0.922 47 R CB -0.028 30.092 30.300 -0.300 0.000 1.023 47 R HN 1.052 nan 8.270 nan 0.000 0.458 48 G N 2.923 111.599 108.800 -0.206 0.000 2.153 48 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.252 48 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.252 48 G C 0.123 174.954 174.900 -0.115 0.000 0.994 48 G CA 0.375 45.381 45.100 -0.157 0.000 0.698 48 G HN 0.716 nan 8.290 nan 0.000 0.521 49 V N -2.805 117.051 119.914 -0.098 0.000 2.953 49 V HA 0.710 4.829 4.120 -0.000 0.000 0.304 49 V C 0.506 176.560 176.094 -0.067 0.000 1.073 49 V CA -1.274 60.983 62.300 -0.073 0.000 1.064 49 V CB 1.587 33.376 31.823 -0.057 0.000 1.047 49 V HN 0.222 nan 8.190 nan 0.000 0.478 50 E N 3.694 123.858 120.200 -0.060 0.000 2.289 50 E HA 0.230 4.580 4.350 -0.000 0.000 0.278 50 E C -1.869 174.702 176.600 -0.048 0.000 1.032 50 E CA -1.675 54.692 56.400 -0.056 0.000 0.854 50 E CB 1.580 31.250 29.700 -0.050 0.000 1.046 50 E HN 0.562 nan 8.360 nan 0.000 0.409 51 P HA -0.128 nan 4.420 nan 0.000 0.217 51 P C 0.838 178.114 177.300 -0.039 0.000 1.148 51 P CA 1.159 64.233 63.100 -0.044 0.000 0.828 51 P CB 0.261 31.935 31.700 -0.043 0.000 0.783 52 L N -1.733 119.469 121.223 -0.034 0.000 2.700 52 L HA 0.155 4.495 4.340 -0.000 0.000 0.234 52 L C 1.025 177.882 176.870 -0.022 0.000 1.156 52 L CA -0.251 54.574 54.840 -0.025 0.000 0.946 52 L CB -0.272 41.774 42.059 -0.021 0.000 1.216 52 L HN -0.018 nan 8.230 nan 0.000 0.493 53 S N -1.395 114.287 115.700 -0.029 0.000 2.672 53 S HA 0.367 4.836 4.470 -0.000 0.000 0.276 53 S C -1.806 172.777 174.600 -0.029 0.000 1.207 53 S CA -1.174 57.008 58.200 -0.030 0.000 1.002 53 S CB 1.396 64.574 63.200 -0.036 0.000 0.998 53 S HN -0.160 nan 8.310 nan 0.000 0.542 54 P HA -0.053 nan 4.420 nan 0.000 0.219 54 P C 0.694 177.975 177.300 -0.032 0.000 1.146 54 P CA 1.076 64.160 63.100 -0.027 0.000 0.808 54 P CB -0.002 31.681 31.700 -0.028 0.000 0.779 55 E N -1.290 118.887 120.200 -0.038 0.000 2.274 55 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 55 E C 0.875 177.446 176.600 -0.048 0.000 0.996 55 E CA 0.248 56.621 56.400 -0.045 0.000 0.840 55 E CB -0.838 28.832 29.700 -0.051 0.000 0.772 55 E HN 0.212 nan 8.360 nan 0.000 0.491 56 N N 1.859 120.532 118.700 -0.045 0.000 2.441 56 N HA -0.051 4.689 4.740 -0.000 0.000 0.251 56 N C -0.682 174.794 175.510 -0.056 0.000 1.242 56 N CA 0.275 53.295 53.050 -0.049 0.000 0.898 56 N CB 0.459 38.917 38.487 -0.049 0.000 1.100 56 N HN -0.240 nan 8.380 nan 0.000 0.443 57 K N 2.830 123.186 120.400 -0.072 0.000 2.265 57 K HA 0.286 4.605 4.320 -0.000 0.000 0.267 57 K C -0.749 175.783 176.600 -0.113 0.000 0.994 57 K CA -0.823 55.416 56.287 -0.081 0.000 0.860 57 K CB 1.371 33.818 32.500 -0.088 0.000 1.099 57 K HN 0.436 nan 8.250 nan 0.000 0.448 58 L N 5.064 126.222 121.223 -0.107 0.000 2.257 58 L HA 0.441 4.781 4.340 -0.000 0.000 0.290 58 L C -0.750 175.965 176.870 -0.259 0.000 1.044 58 L CA -0.164 54.558 54.840 -0.197 0.000 0.810 58 L CB 0.302 42.284 42.059 -0.128 0.000 1.193 58 L HN 0.508 nan 8.230 nan 0.000 0.425 59 I N 5.351 125.697 120.570 -0.373 0.000 2.404 59 I HA 0.343 4.512 4.170 -0.000 0.000 0.293 59 I C -1.062 174.771 176.117 -0.473 0.000 0.992 59 I CA -0.358 60.774 61.300 -0.281 0.000 1.149 59 I CB 1.384 39.303 38.000 -0.136 0.000 1.315 59 I HN 0.423 nan 8.210 nan 0.000 0.446 60 F N 5.046 125.022 119.950 0.044 0.000 2.366 60 F HA 0.616 5.143 4.527 -0.000 0.000 0.366 60 F C 0.338 176.196 175.800 0.096 0.000 1.096 60 F CA -0.537 57.505 58.000 0.071 0.000 1.060 60 F CB 1.476 40.518 39.000 0.069 0.000 1.282 60 F HN 0.403 nan 8.300 nan 0.000 0.450 61 A N 2.286 125.234 122.820 0.214 0.000 2.303 61 A HA 0.916 5.235 4.320 -0.000 0.000 0.320 61 A C -0.423 177.297 177.584 0.227 0.000 1.192 61 A CA -0.351 51.810 52.037 0.206 0.000 0.821 61 A CB 0.748 19.838 19.000 0.151 0.000 1.188 61 A HN 0.778 nan 8.150 nan 0.000 0.492 62 A N 1.698 124.672 122.820 0.256 0.000 2.326 62 A HA 0.983 5.303 4.320 -0.000 0.000 0.303 62 A C 0.468 178.211 177.584 0.266 0.000 1.164 62 A CA -0.135 52.056 52.037 0.257 0.000 0.929 62 A CB 0.961 20.129 19.000 0.280 0.000 1.363 62 A HN 1.906 nan 8.150 nan 0.000 0.498 63 G N -2.512 106.441 108.800 0.255 0.000 2.766 63 G HA2 0.577 4.537 3.960 -0.000 0.000 0.288 63 G HA3 0.577 4.537 3.960 -0.000 0.000 0.288 63 G C -2.375 172.659 174.900 0.224 0.000 1.408 63 G CA -0.718 44.536 45.100 0.258 0.000 0.852 63 G HN 0.347 nan 8.290 nan 0.000 0.487 64 P HA -0.091 nan 4.420 nan 0.000 0.221 64 P C 1.169 178.522 177.300 0.089 0.000 1.145 64 P CA 0.874 63.944 63.100 -0.049 0.000 0.795 64 P CB 0.146 31.592 31.700 -0.423 0.000 0.775 65 F N 0.006 119.914 119.950 -0.070 0.000 2.367 65 F HA 0.012 4.539 4.527 -0.001 0.000 0.298 65 F C 1.356 177.153 175.800 -0.005 0.000 1.094 65 F CA 0.140 58.110 58.000 -0.050 0.000 1.409 65 F CB -0.975 38.031 39.000 0.011 0.000 1.064 65 F HN -0.114 nan 8.300 nan 0.000 0.528 66 N N 0.324 119.171 118.700 0.246 0.000 2.518 66 N HA 0.274 5.013 4.740 -0.000 0.000 0.266 66 N C 1.404 177.013 175.510 0.165 0.000 1.196 66 N CA 1.153 54.331 53.050 0.214 0.000 0.947 66 N CB 0.873 39.502 38.487 0.236 0.000 1.098 66 N HN 0.297 nan 8.380 nan 0.000 0.450 67 G N 0.340 109.251 108.800 0.185 0.000 2.217 67 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.246 67 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.246 67 G C -0.090 174.865 174.900 0.092 0.000 0.990 67 G CA -0.034 45.166 45.100 0.167 0.000 0.627 67 G HN 0.447 nan 8.290 nan 0.000 0.522 68 L N 0.578 121.786 121.223 -0.025 0.000 2.322 68 L HA 0.539 4.879 4.340 -0.000 0.000 0.269 68 L C -2.179 174.371 176.870 -0.535 0.000 1.012 68 L CA -2.527 52.191 54.840 -0.203 0.000 0.815 68 L CB 1.920 43.843 42.059 -0.227 0.000 1.295 68 L HN -0.204 nan 8.230 nan 0.000 0.438 69 P HA 0.074 nan 4.420 nan 0.000 0.237 69 P C -0.795 176.196 177.300 -0.515 0.000 1.788 69 P CA -0.197 62.284 63.100 -1.031 0.000 1.061 69 P CB -0.389 31.019 31.700 -0.487 0.000 1.967 70 T N -0.680 113.609 114.554 -0.443 0.000 2.902 70 T HA 0.493 4.843 4.350 -0.000 0.000 0.283 70 T C -2.796 171.817 174.700 -0.144 0.000 1.009 70 T CA -3.225 58.691 62.100 -0.308 0.000 1.051 70 T CB 0.801 69.490 68.868 -0.297 0.000 0.999 70 T HN -0.125 nan 8.240 nan 0.000 0.474 71 P HA 0.151 nan 4.420 nan 0.000 0.257 71 P C 0.159 177.526 177.300 0.111 0.000 1.189 71 P CA 0.441 63.322 63.100 -0.364 0.000 0.780 71 P CB -0.081 31.280 31.700 -0.565 0.000 0.772 72 S N 2.363 118.225 115.700 0.271 0.000 3.549 72 S HA -0.166 4.303 4.470 -0.000 0.000 0.366 72 S C 1.168 175.950 174.600 0.304 0.000 1.012 72 S CA 0.910 59.285 58.200 0.290 0.000 1.141 72 S CB -1.745 61.596 63.200 0.235 0.000 0.910 72 S HN 0.817 nan 8.310 nan 0.000 0.471 73 G N 0.029 109.030 108.800 0.335 0.000 3.702 73 G HA2 0.465 4.425 3.960 -0.000 0.000 0.288 73 G HA3 0.465 4.425 3.960 -0.000 0.000 0.288 73 G C 0.592 175.695 174.900 0.338 0.000 1.193 73 G CA 0.194 45.502 45.100 0.348 0.000 0.952 73 G HN 0.698 nan 8.290 nan 0.000 0.544 74 G N 0.420 109.408 108.800 0.314 0.000 3.820 74 G HA2 0.267 4.227 3.960 -0.000 0.000 0.293 74 G HA3 0.267 4.227 3.960 -0.000 0.000 0.293 74 G C 0.524 175.550 174.900 0.210 0.000 1.152 74 G CA -0.380 44.879 45.100 0.264 0.000 0.921 74 G HN 0.094 nan 8.290 nan 0.000 0.544 75 K N 0.020 120.549 120.400 0.214 0.000 2.090 75 K HA 0.649 4.969 4.320 -0.000 0.000 0.250 75 K C -0.981 175.735 176.600 0.193 0.000 1.004 75 K CA -0.763 55.638 56.287 0.190 0.000 0.919 75 K CB 2.295 34.904 32.500 0.183 0.000 1.045 75 K HN 0.157 nan 8.250 nan 0.000 0.471 76 L N 0.232 121.567 121.223 0.187 0.000 2.482 76 L HA 0.325 4.665 4.340 -0.000 0.000 0.263 76 L C -1.440 175.544 176.870 0.190 0.000 0.957 76 L CA -0.700 54.261 54.840 0.203 0.000 0.836 76 L CB 2.193 44.387 42.059 0.224 0.000 1.324 76 L HN 0.286 nan 8.230 nan 0.000 0.406 77 V N 4.703 124.726 119.914 0.181 0.000 2.481 77 V HA 0.604 4.724 4.120 -0.000 0.000 0.286 77 V C -0.512 175.643 176.094 0.101 0.000 1.042 77 V CA -0.570 61.814 62.300 0.140 0.000 0.928 77 V CB 1.777 33.681 31.823 0.136 0.000 0.986 77 V HN 0.518 nan 8.190 nan 0.000 0.462 78 V N 4.113 124.046 119.914 0.031 0.000 2.444 78 V HA 0.868 4.987 4.120 -0.000 0.000 0.294 78 V C 0.166 176.158 176.094 -0.169 0.000 1.022 78 V CA -0.321 61.897 62.300 -0.137 0.000 0.850 78 V CB 1.297 33.066 31.823 -0.091 0.000 0.992 78 V HN 1.028 nan 8.190 nan 0.000 0.426 79 A N 3.834 126.503 122.820 -0.252 0.000 2.469 79 A HA 1.101 5.421 4.320 -0.000 0.000 0.299 79 A C -0.415 176.979 177.584 -0.316 0.000 1.098 79 A CA -0.107 51.759 52.037 -0.285 0.000 0.737 79 A CB 2.198 21.066 19.000 -0.219 0.000 1.312 79 A HN 2.000 nan 8.150 nan 0.000 0.414 80 A N 0.413 123.010 122.820 -0.372 0.000 2.489 80 A HA 0.581 4.901 4.320 -0.000 0.000 0.293 80 A C -0.827 176.572 177.584 -0.308 0.000 1.004 80 A CA -0.411 51.456 52.037 -0.284 0.000 0.626 80 A CB 0.318 19.195 19.000 -0.206 0.000 1.345 80 A HN 1.109 nan 8.150 nan 0.000 0.447 81 K N 0.841 121.130 120.400 -0.186 0.000 2.412 81 K HA 0.362 4.682 4.320 -0.000 0.000 0.281 81 K C 0.280 176.807 176.600 -0.121 0.000 1.027 81 K CA 0.453 56.674 56.287 -0.109 0.000 0.989 81 K CB 0.482 33.004 32.500 0.036 0.000 0.935 81 K HN 0.815 nan 8.250 nan 0.000 0.475 82 S N 5.217 120.837 115.700 -0.133 0.000 2.505 82 S HA 0.193 4.663 4.470 -0.000 0.000 0.276 82 S C -1.501 173.076 174.600 -0.037 0.000 1.274 82 S CA -1.546 56.604 58.200 -0.083 0.000 1.053 82 S CB 0.878 64.043 63.200 -0.058 0.000 0.919 82 S HN 0.595 nan 8.310 nan 0.000 0.490 83 P HA 0.013 nan 4.420 nan 0.000 0.236 83 P C 1.195 178.498 177.300 0.004 0.000 1.177 83 P CA 0.186 63.274 63.100 -0.020 0.000 0.773 83 P CB 0.190 31.873 31.700 -0.029 0.000 0.878 84 L N 0.623 121.866 121.223 0.034 0.000 2.168 84 L HA 0.074 4.414 4.340 -0.000 0.000 0.203 84 L C 2.146 179.082 176.870 0.109 0.000 1.078 84 L CA 2.288 57.171 54.840 0.071 0.000 0.780 84 L CB -1.123 41.002 42.059 0.110 0.000 0.939 84 L HN -0.013 nan 8.230 nan 0.000 0.451 85 T N -5.087 109.556 114.554 0.148 0.000 2.990 85 T HA 0.326 4.675 4.350 -0.000 0.000 0.250 85 T C 1.488 176.360 174.700 0.286 0.000 1.041 85 T CA 0.431 62.703 62.100 0.286 0.000 1.010 85 T CB 0.291 69.437 68.868 0.463 0.000 1.003 85 T HN 0.523 nan 8.240 nan 0.000 0.499 86 G N 0.549 109.405 108.800 0.094 0.000 2.184 86 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.264 86 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.264 86 G C 0.516 175.436 174.900 0.032 0.000 0.975 86 G CA 0.115 45.244 45.100 0.048 0.000 0.642 86 G HN 1.092 nan 8.290 nan 0.000 0.536 87 G N -1.285 107.297 108.800 -0.362 0.000 3.119 87 G HA2 0.587 4.547 3.960 -0.000 0.000 0.206 87 G HA3 0.587 4.547 3.960 -0.000 0.000 0.206 87 G C -0.357 174.149 174.900 -0.658 0.000 1.313 87 G CA -0.471 43.983 45.100 -1.077 0.000 1.010 87 G HN 0.809 nan 8.290 nan 0.000 0.578 88 Y N 0.721 120.451 120.300 -0.949 0.000 2.465 88 Y HA 0.473 5.023 4.550 -0.000 0.000 0.331 88 Y C 0.427 176.222 175.900 -0.174 0.000 1.102 88 Y CA 0.154 57.995 58.100 -0.432 0.000 1.358 88 Y CB 0.551 38.847 38.460 -0.273 0.000 1.213 88 Y HN 0.494 nan 8.280 nan 0.000 0.525 89 G N 4.954 113.272 108.800 -0.803 0.000 2.542 89 G HA2 0.546 4.506 3.960 -0.000 0.000 0.311 89 G HA3 0.546 4.506 3.960 -0.000 0.000 0.311 89 G C -1.966 172.566 174.900 -0.614 0.000 1.298 89 G CA -0.651 44.175 45.100 -0.456 0.000 0.973 89 G HN 0.791 nan 8.290 nan 0.000 0.487 90 D N -0.528 119.731 120.400 -0.235 0.000 2.639 90 D HA 0.734 5.374 4.640 -0.000 0.000 0.271 90 D C -0.040 176.288 176.300 0.045 0.000 1.254 90 D CA -0.252 53.676 54.000 -0.120 0.000 0.810 90 D CB 1.149 41.914 40.800 -0.059 0.000 1.351 90 D HN 1.000 nan 8.370 nan 0.000 0.427 91 G N -0.738 108.099 108.800 0.061 0.000 2.645 91 G HA2 0.515 4.475 3.960 -0.000 0.000 0.292 91 G HA3 0.515 4.475 3.960 -0.000 0.000 0.292 91 G C -1.741 173.227 174.900 0.113 0.000 1.415 91 G CA -0.835 44.334 45.100 0.114 0.000 0.785 91 G HN 0.607 nan 8.290 nan 0.000 0.483 92 N N -0.819 117.959 118.700 0.131 0.000 2.242 92 N HA 0.687 5.426 4.740 -0.000 0.000 0.292 92 N C -1.203 174.393 175.510 0.143 0.000 1.125 92 N CA -0.499 52.633 53.050 0.135 0.000 0.783 92 N CB 2.398 40.961 38.487 0.127 0.000 1.558 92 N HN 0.901 nan 8.380 nan 0.000 0.472 93 L N -0.699 120.615 121.223 0.151 0.000 2.465 93 L HA 0.826 5.166 4.340 -0.000 0.000 0.257 93 L C -0.308 176.651 176.870 0.147 0.000 0.988 93 L CA -0.873 54.054 54.840 0.146 0.000 0.827 93 L CB 1.820 43.966 42.059 0.145 0.000 1.397 93 L HN 0.486 nan 8.230 nan 0.000 0.410 94 G N 0.208 109.089 108.800 0.135 0.000 2.372 94 G HA2 0.548 4.508 3.960 -0.000 0.000 0.283 94 G HA3 0.548 4.508 3.960 -0.000 0.000 0.283 94 G C -0.610 174.361 174.900 0.119 0.000 1.177 94 G CA -0.013 45.167 45.100 0.133 0.000 0.842 94 G HN 0.917 nan 8.290 nan 0.000 0.503 95 T N 1.553 116.178 114.554 0.118 0.000 3.003 95 T HA 0.183 4.532 4.350 -0.000 0.000 0.354 95 T C 0.980 175.741 174.700 0.100 0.000 1.651 95 T CA -0.682 61.479 62.100 0.102 0.000 1.103 95 T CB 1.101 70.036 68.868 0.112 0.000 1.450 95 T HN 0.198 nan 8.240 nan 0.000 0.484 96 M N 2.417 122.069 119.600 0.088 0.000 2.446 96 M HA 0.072 4.552 4.480 -0.000 0.000 0.263 96 M C 2.406 178.815 176.300 0.182 0.000 1.066 96 M CA 1.627 56.989 55.300 0.102 0.000 1.087 96 M CB -1.607 31.077 32.600 0.139 0.000 1.406 96 M HN 0.826 nan 8.290 nan 0.000 0.459 97 A N -0.737 122.175 122.820 0.153 0.000 1.972 97 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 97 A C 2.481 180.162 177.584 0.162 0.000 1.169 97 A CA 2.094 54.215 52.037 0.140 0.000 0.635 97 A CB -0.715 18.321 19.000 0.060 0.000 0.810 97 A HN 0.490 nan 8.150 nan 0.000 0.446 98 S N -0.576 115.221 115.700 0.161 0.000 2.355 98 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 98 S C 1.920 176.631 174.600 0.186 0.000 1.031 98 S CA 1.670 59.981 58.200 0.186 0.000 0.993 98 S CB -0.518 62.797 63.200 0.191 0.000 0.859 98 S HN 0.312 nan 8.310 nan 0.000 0.453 99 V N 2.219 122.215 119.914 0.136 0.000 2.295 99 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 99 V C 2.510 178.634 176.094 0.049 0.000 1.049 99 V CA 2.068 64.419 62.300 0.085 0.000 1.024 99 V CB -0.933 30.859 31.823 -0.052 0.000 0.648 99 V HN 0.597 nan 8.190 nan 0.000 0.447 100 H N -0.917 118.224 119.070 0.119 0.000 2.389 100 H HA -0.081 4.475 4.556 -0.000 0.000 0.299 100 H C 2.192 177.593 175.328 0.122 0.000 1.081 100 H CA 1.853 57.958 56.048 0.094 0.000 1.345 100 H CB -0.183 29.602 29.762 0.040 0.000 1.393 100 H HN 0.322 nan 8.280 nan 0.000 0.520 101 L N 1.241 122.620 121.223 0.260 0.000 2.012 101 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 101 L C 2.442 179.499 176.870 0.313 0.000 1.073 101 L CA 1.605 56.609 54.840 0.273 0.000 0.748 101 L CB -0.280 41.925 42.059 0.243 0.000 0.891 101 L HN -0.004 nan 8.230 nan 0.000 0.431 102 R N -0.443 120.242 120.500 0.309 0.000 2.090 102 R HA -0.024 4.316 4.340 -0.000 0.000 0.228 102 R C 2.244 178.801 176.300 0.428 0.000 1.110 102 R CA 1.092 57.431 56.100 0.400 0.000 0.973 102 R CB -0.393 30.115 30.300 0.346 0.000 0.869 102 R HN 0.469 nan 8.270 nan 0.000 0.440 103 R N 0.155 120.822 120.500 0.279 0.000 2.236 103 R HA 0.073 4.413 4.340 -0.000 0.000 0.208 103 R C 1.818 178.194 176.300 0.128 0.000 1.036 103 R CA 0.787 57.033 56.100 0.243 0.000 1.001 103 R CB 0.008 30.410 30.300 0.170 0.000 0.896 103 R HN 0.102 nan 8.270 nan 0.000 0.464 104 A N 0.291 123.144 122.820 0.055 0.000 2.208 104 A HA 0.175 4.495 4.320 -0.000 0.000 0.209 104 A C 1.340 178.541 177.584 -0.638 0.000 1.161 104 A CA 0.942 52.911 52.037 -0.113 0.000 0.782 104 A CB 0.086 19.145 19.000 0.099 0.000 0.816 104 A HN 0.414 nan 8.150 nan 0.000 0.477 105 G N -2.556 105.757 108.800 -0.811 0.000 2.135 105 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.183 105 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.183 105 G C -0.341 173.535 174.900 -1.708 0.000 1.004 105 G CA 0.055 44.080 45.100 -1.792 0.000 0.677 105 G HN 0.449 nan 8.290 nan 0.000 0.512 106 Y N -0.207 119.917 120.300 -0.294 0.000 2.462 106 Y HA 0.620 5.170 4.550 -0.000 0.000 0.346 106 Y C 0.631 176.748 175.900 0.362 0.000 0.976 106 Y CA -1.387 56.747 58.100 0.056 0.000 1.044 106 Y CB 1.549 40.047 38.460 0.064 0.000 1.230 106 Y HN -0.047 nan 8.280 nan 0.000 0.455 107 D N 1.035 121.784 120.400 0.581 0.000 2.271 107 D HA 0.341 4.980 4.640 -0.000 0.000 0.206 107 D C 0.279 176.821 176.300 0.403 0.000 0.967 107 D CA 0.932 55.255 54.000 0.539 0.000 0.867 107 D CB 0.561 41.729 40.800 0.613 0.000 0.960 107 D HN 0.565 nan 8.370 nan 0.000 0.509 108 A N -0.215 122.821 122.820 0.359 0.000 2.586 108 A HA 0.595 4.915 4.320 -0.000 0.000 0.290 108 A C -2.154 175.550 177.584 0.199 0.000 1.086 108 A CA -0.664 51.531 52.037 0.263 0.000 0.665 108 A CB 1.173 20.289 19.000 0.193 0.000 1.279 108 A HN 0.035 nan 8.150 nan 0.000 0.423 109 L N 0.579 121.916 121.223 0.190 0.000 2.409 109 L HA 0.791 5.130 4.340 -0.000 0.000 0.272 109 L C -1.577 175.398 176.870 0.176 0.000 0.980 109 L CA -0.397 54.520 54.840 0.128 0.000 0.826 109 L CB 1.913 44.044 42.059 0.121 0.000 1.268 109 L HN 0.525 nan 8.230 nan 0.000 0.407 110 V N 5.682 125.647 119.914 0.084 0.000 2.409 110 V HA 0.581 4.701 4.120 -0.000 0.000 0.291 110 V C -0.426 175.697 176.094 0.048 0.000 1.020 110 V CA -0.652 61.680 62.300 0.052 0.000 0.848 110 V CB 1.803 33.627 31.823 0.001 0.000 0.990 110 V HN 0.558 nan 8.190 nan 0.000 0.430 111 V N 5.496 125.448 119.914 0.064 0.000 2.398 111 V HA 0.578 4.698 4.120 -0.000 0.000 0.286 111 V C 0.008 176.110 176.094 0.014 0.000 1.026 111 V CA -0.478 61.857 62.300 0.058 0.000 0.868 111 V CB 1.537 33.437 31.823 0.128 0.000 0.982 111 V HN 1.073 nan 8.190 nan 0.000 0.443 112 E N 3.420 123.621 120.200 0.000 0.000 2.378 112 E HA 0.854 5.203 4.350 -0.000 0.000 0.265 112 E C 0.226 176.818 176.600 -0.013 0.000 0.932 112 E CA -0.321 56.069 56.400 -0.016 0.000 0.795 112 E CB 2.224 31.906 29.700 -0.030 0.000 1.296 112 E HN 1.102 nan 8.360 nan 0.000 0.438 113 G N 0.690 109.479 108.800 -0.020 0.000 2.642 113 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.231 113 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.231 113 G C -0.913 173.979 174.900 -0.014 0.000 1.338 113 G CA 0.093 45.181 45.100 -0.020 0.000 0.883 113 G HN 0.789 nan 8.290 nan 0.000 0.570 114 K N -0.692 119.696 120.400 -0.019 0.000 2.543 114 K HA 0.681 5.001 4.320 -0.000 0.000 0.255 114 K C -0.012 176.568 176.600 -0.033 0.000 0.934 114 K CA -0.097 56.178 56.287 -0.020 0.000 0.810 114 K CB 1.491 33.976 32.500 -0.024 0.000 1.315 114 K HN 1.770 nan 8.250 nan 0.000 0.433 115 A N 3.063 125.859 122.820 -0.040 0.000 2.322 115 A HA 0.286 4.606 4.320 -0.000 0.000 0.269 115 A C 0.394 177.928 177.584 -0.083 0.000 1.094 115 A CA -0.349 51.654 52.037 -0.057 0.000 0.807 115 A CB 0.610 19.575 19.000 -0.058 0.000 1.047 115 A HN 0.940 nan 8.150 nan 0.000 0.487 116 K N 0.294 120.646 120.400 -0.081 0.000 2.148 116 K HA -0.043 4.276 4.320 -0.000 0.000 0.204 116 K C 0.251 176.773 176.600 -0.129 0.000 1.050 116 K CA 1.239 57.473 56.287 -0.089 0.000 0.942 116 K CB -0.043 32.415 32.500 -0.071 0.000 0.724 116 K HN 0.605 nan 8.250 nan 0.000 0.446 117 K N -0.217 120.094 120.400 -0.148 0.000 2.466 117 K HA 0.318 4.638 4.320 -0.000 0.000 0.260 117 K C -2.902 173.547 176.600 -0.251 0.000 1.011 117 K CA -2.450 53.709 56.287 -0.213 0.000 0.871 117 K CB 1.968 34.379 32.500 -0.148 0.000 1.404 117 K HN -0.346 nan 8.250 nan 0.000 0.450 118 P HA -0.067 nan 4.420 nan 0.000 0.262 118 P C -1.056 176.222 177.300 -0.037 0.000 1.182 118 P CA -0.087 62.824 63.100 -0.315 0.000 0.761 118 P CB 0.443 31.942 31.700 -0.334 0.000 0.795 119 V N 1.938 121.884 119.914 0.054 0.000 3.167 119 V HA 0.841 4.961 4.120 -0.000 0.000 0.310 119 V C -1.425 174.814 176.094 0.240 0.000 1.207 119 V CA -1.154 61.208 62.300 0.103 0.000 1.059 119 V CB 2.073 33.900 31.823 0.007 0.000 1.079 119 V HN 0.511 nan 8.190 nan 0.000 0.446 120 Y N -0.648 119.700 120.300 0.080 0.000 2.534 120 Y HA 0.853 5.402 4.550 -0.000 0.000 0.345 120 Y C -1.066 174.877 175.900 0.073 0.000 1.031 120 Y CA -1.594 56.559 58.100 0.089 0.000 1.022 120 Y CB 1.561 40.089 38.460 0.112 0.000 1.292 120 Y HN 0.678 nan 8.280 nan 0.000 0.459 121 I N 4.010 124.656 120.570 0.127 0.000 2.365 121 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 121 I C -1.130 175.038 176.117 0.084 0.000 1.004 121 I CA -0.726 60.587 61.300 0.021 0.000 1.311 121 I CB 0.929 38.930 38.000 0.002 0.000 1.401 121 I HN 0.715 nan 8.210 nan 0.000 0.491 122 Y N 7.772 127.998 120.300 -0.122 0.000 2.328 122 Y HA 0.675 5.225 4.550 -0.000 0.000 0.337 122 Y C -0.919 174.926 175.900 -0.093 0.000 0.966 122 Y CA -0.765 57.275 58.100 -0.100 0.000 1.136 122 Y CB 0.993 39.342 38.460 -0.185 0.000 1.170 122 Y HN 0.359 nan 8.280 nan 0.000 0.470 123 I N 5.986 126.322 120.570 -0.391 0.000 2.466 123 I HA 0.342 4.511 4.170 -0.000 0.000 0.289 123 I C -1.066 174.836 176.117 -0.358 0.000 1.026 123 I CA -0.619 60.550 61.300 -0.218 0.000 1.078 123 I CB 2.095 40.029 38.000 -0.110 0.000 1.249 123 I HN 0.615 nan 8.210 nan 0.000 0.429 124 E N 6.583 126.705 120.200 -0.131 0.000 2.502 124 E HA 0.240 4.589 4.350 -0.000 0.000 0.261 124 E C -0.858 175.766 176.600 0.040 0.000 0.974 124 E CA -0.336 56.018 56.400 -0.077 0.000 0.795 124 E CB 0.682 30.388 29.700 0.011 0.000 1.385 124 E HN 0.662 nan 8.360 nan 0.000 0.400 125 D N 2.307 122.731 120.400 0.040 0.000 3.771 125 D HA -0.274 4.366 4.640 -0.000 0.000 0.145 125 D C 0.333 176.671 176.300 0.064 0.000 0.892 125 D CA 1.748 55.752 54.000 0.007 0.000 1.080 125 D CB -0.453 40.339 40.800 -0.012 0.000 0.498 125 D HN 0.653 nan 8.370 nan 0.000 0.499 126 D N 0.635 121.053 120.400 0.031 0.000 2.347 126 D HA -0.038 4.602 4.640 -0.000 0.000 0.213 126 D C 0.651 177.010 176.300 0.098 0.000 0.985 126 D CA 0.258 54.303 54.000 0.075 0.000 0.879 126 D CB -0.390 40.419 40.800 0.015 0.000 0.919 126 D HN 0.165 nan 8.370 nan 0.000 0.526 127 N N 1.011 119.769 118.700 0.097 0.000 2.415 127 N HA 0.108 4.847 4.740 -0.000 0.000 0.246 127 N C -1.302 174.293 175.510 0.140 0.000 1.078 127 N CA -0.034 53.079 53.050 0.106 0.000 0.942 127 N CB 0.699 39.259 38.487 0.120 0.000 1.140 127 N HN -0.324 nan 8.380 nan 0.000 0.501 128 V N 2.304 122.276 119.914 0.097 0.000 2.588 128 V HA 0.609 4.728 4.120 -0.000 0.000 0.304 128 V C -0.520 175.600 176.094 0.043 0.000 1.042 128 V CA -0.678 61.667 62.300 0.076 0.000 0.877 128 V CB 1.688 33.512 31.823 0.002 0.000 0.996 128 V HN 0.726 nan 8.190 nan 0.000 0.425 129 S N 4.298 120.027 115.700 0.048 0.000 2.556 129 S HA 0.699 5.169 4.470 -0.000 0.000 0.271 129 S C -0.837 173.716 174.600 -0.079 0.000 1.135 129 S CA -0.606 57.574 58.200 -0.034 0.000 0.858 129 S CB 2.042 65.187 63.200 -0.092 0.000 1.114 129 S HN 0.535 nan 8.310 nan 0.000 0.468 130 I N 2.538 123.045 120.570 -0.104 0.000 2.312 130 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 130 I C -0.841 175.159 176.117 -0.194 0.000 1.008 130 I CA -0.335 60.887 61.300 -0.130 0.000 1.226 130 I CB 0.584 38.537 38.000 -0.079 0.000 1.371 130 I HN 0.308 nan 8.210 nan 0.000 0.468 131 L N 4.458 125.474 121.223 -0.344 0.000 2.333 131 L HA 0.453 4.792 4.340 -0.000 0.000 0.269 131 L C 0.410 177.142 176.870 -0.229 0.000 1.010 131 L CA -0.801 53.808 54.840 -0.385 0.000 0.818 131 L CB 1.897 43.507 42.059 -0.747 0.000 1.306 131 L HN 0.486 nan 8.230 nan 0.000 0.430 132 S N 0.806 116.461 115.700 -0.074 0.000 2.533 132 S HA 0.370 4.840 4.470 -0.000 0.000 0.282 132 S C 0.458 175.183 174.600 0.209 0.000 1.304 132 S CA -0.046 58.178 58.200 0.040 0.000 1.063 132 S CB 0.807 64.025 63.200 0.031 0.000 0.881 132 S HN 0.704 nan 8.310 nan 0.000 0.493 133 A N 4.258 127.217 122.820 0.232 0.000 2.637 133 A HA 0.368 4.687 4.320 -0.000 0.000 0.293 133 A C 1.148 178.857 177.584 0.207 0.000 1.216 133 A CA -0.375 51.851 52.037 0.315 0.000 0.956 133 A CB -0.138 19.103 19.000 0.401 0.000 1.174 133 A HN 0.915 nan 8.150 nan 0.000 0.525 134 E N -0.017 120.257 120.200 0.125 0.000 2.118 134 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 134 E C 1.952 178.627 176.600 0.126 0.000 0.992 134 E CA 1.241 57.692 56.400 0.085 0.000 0.804 134 E CB -0.040 29.677 29.700 0.029 0.000 0.741 134 E HN 0.620 nan 8.360 nan 0.000 0.458 135 G N 0.320 109.189 108.800 0.116 0.000 2.511 135 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 135 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 135 G C 1.449 176.418 174.900 0.116 0.000 1.133 135 G CA 0.099 45.259 45.100 0.101 0.000 0.792 135 G HN 0.085 nan 8.290 nan 0.000 0.539 136 L N -0.987 120.324 121.223 0.146 0.000 2.209 136 L HA 0.198 4.537 4.340 -0.000 0.000 0.207 136 L C 1.468 178.445 176.870 0.179 0.000 1.094 136 L CA -0.438 54.480 54.840 0.129 0.000 0.790 136 L CB -0.098 42.023 42.059 0.104 0.000 0.932 136 L HN 0.257 nan 8.230 nan 0.000 0.447 137 W N 1.780 123.098 121.300 0.030 0.000 2.476 137 W HA 0.027 4.686 4.660 -0.000 0.000 0.338 137 W C 1.019 177.556 176.519 0.030 0.000 1.328 137 W CA 1.584 58.947 57.345 0.029 0.000 1.300 137 W CB 0.382 29.861 29.460 0.033 0.000 1.252 137 W HN 0.383 nan 8.180 nan 0.000 0.568 138 G N 3.551 112.181 108.800 -0.284 0.000 2.238 138 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 138 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 138 G C 0.226 175.074 174.900 -0.087 0.000 0.996 138 G CA -0.135 44.869 45.100 -0.160 0.000 0.632 138 G HN 0.452 nan 8.290 nan 0.000 0.503 139 K N 1.885 122.238 120.400 -0.077 0.000 2.154 139 K HA 0.516 4.835 4.320 -0.000 0.000 0.264 139 K C 1.183 177.724 176.600 -0.099 0.000 1.008 139 K CA 0.234 56.491 56.287 -0.051 0.000 0.937 139 K CB 0.805 33.295 32.500 -0.017 0.000 1.002 139 K HN 0.368 nan 8.250 nan 0.000 0.469 140 T N -1.683 112.817 114.554 -0.090 0.000 2.795 140 T HA -0.062 4.287 4.350 -0.000 0.000 0.314 140 T C 1.628 176.254 174.700 -0.125 0.000 1.069 140 T CA 0.011 62.014 62.100 -0.161 0.000 1.071 140 T CB 0.759 69.498 68.868 -0.215 0.000 0.988 140 T HN 0.758 nan 8.240 nan 0.000 0.543 141 T N -0.341 114.112 114.554 -0.168 0.000 2.720 141 T HA -0.145 4.204 4.350 -0.000 0.000 0.268 141 T C 1.620 176.410 174.700 0.150 0.000 1.037 141 T CA 0.993 63.077 62.100 -0.026 0.000 1.144 141 T CB -0.688 68.178 68.868 -0.004 0.000 0.864 141 T HN 0.507 nan 8.240 nan 0.000 0.444 142 F N 2.280 122.219 119.950 -0.019 0.000 2.095 142 F HA 0.118 4.645 4.527 -0.000 0.000 0.298 142 F C 2.687 178.478 175.800 -0.015 0.000 1.104 142 F CA 0.965 58.958 58.000 -0.012 0.000 1.232 142 F CB -1.470 37.526 39.000 -0.007 0.000 0.987 142 F HN 0.245 nan 8.300 nan 0.000 0.475 143 E N 0.125 120.434 120.200 0.181 0.000 2.106 143 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 143 E C 2.065 178.692 176.600 0.044 0.000 0.984 143 E CA 1.738 58.191 56.400 0.088 0.000 0.806 143 E CB -0.440 29.291 29.700 0.052 0.000 0.750 143 E HN 0.257 nan 8.360 nan 0.000 0.458 144 T N 0.244 114.816 114.554 0.029 0.000 2.708 144 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 144 T C 1.730 176.423 174.700 -0.011 0.000 1.037 144 T CA 1.552 63.649 62.100 -0.005 0.000 1.146 144 T CB -0.316 68.543 68.868 -0.016 0.000 0.865 144 T HN 0.352 nan 8.240 nan 0.000 0.435 145 E N 0.855 121.070 120.200 0.025 0.000 2.072 145 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 145 E C 2.422 179.028 176.600 0.010 0.000 0.985 145 E CA 0.787 57.198 56.400 0.018 0.000 0.801 145 E CB -0.034 29.692 29.700 0.045 0.000 0.750 145 E HN 0.303 nan 8.360 nan 0.000 0.452 146 R N 0.511 121.025 120.500 0.024 0.000 2.073 146 R HA -0.183 4.157 4.340 -0.000 0.000 0.234 146 R C 2.039 178.335 176.300 -0.006 0.000 1.134 146 R CA 1.946 58.053 56.100 0.012 0.000 0.952 146 R CB -0.087 30.229 30.300 0.026 0.000 0.850 146 R HN 0.260 nan 8.270 nan 0.000 0.433 147 E N 0.337 120.529 120.200 -0.013 0.000 2.072 147 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 147 E C 2.139 178.699 176.600 -0.068 0.000 0.985 147 E CA 1.201 57.580 56.400 -0.035 0.000 0.801 147 E CB -0.076 29.605 29.700 -0.033 0.000 0.750 147 E HN 0.352 nan 8.360 nan 0.000 0.452 148 L N 0.919 122.096 121.223 -0.077 0.000 2.083 148 L HA -0.197 4.142 4.340 -0.000 0.000 0.209 148 L C 2.323 179.176 176.870 -0.028 0.000 1.083 148 L CA 1.220 56.008 54.840 -0.087 0.000 0.752 148 L CB -0.228 41.778 42.059 -0.089 0.000 0.899 148 L HN 0.030 nan 8.230 nan 0.000 0.433 149 K N -0.566 119.831 120.400 -0.006 0.000 2.217 149 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 149 K C 1.845 178.440 176.600 -0.009 0.000 1.051 149 K CA 0.533 56.830 56.287 0.016 0.000 0.952 149 K CB 0.081 32.590 32.500 0.015 0.000 0.736 149 K HN 0.169 nan 8.250 nan 0.000 0.453 150 E N 0.626 120.806 120.200 -0.033 0.000 2.409 150 E HA -0.105 4.244 4.350 -0.000 0.000 0.198 150 E C 1.674 178.234 176.600 -0.067 0.000 1.024 150 E CA 0.728 57.106 56.400 -0.037 0.000 0.861 150 E CB 0.183 29.863 29.700 -0.033 0.000 0.788 150 E HN 0.273 nan 8.360 nan 0.000 0.521 151 I N -0.191 120.297 120.570 -0.138 0.000 2.681 151 I HA -0.093 4.077 4.170 -0.000 0.000 0.247 151 I C 1.919 177.928 176.117 -0.181 0.000 1.091 151 I CA 0.789 61.946 61.300 -0.238 0.000 1.442 151 I CB -1.085 36.606 38.000 -0.514 0.000 1.219 151 I HN 0.108 nan 8.210 nan 0.000 0.451 152 H N 1.279 120.395 119.070 0.078 0.000 2.548 152 H HA 0.343 4.899 4.556 -0.000 0.000 0.268 152 H C 1.133 176.498 175.328 0.062 0.000 0.975 152 H CA 0.866 56.979 56.048 0.107 0.000 1.195 152 H CB 0.064 29.934 29.762 0.179 0.000 1.397 152 H HN 0.415 nan 8.280 nan 0.000 0.572 153 G N 0.803 109.671 108.800 0.114 0.000 2.592 153 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.684 153 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.684 153 G C 0.483 175.415 174.900 0.054 0.000 1.291 153 G CA -0.306 44.837 45.100 0.072 0.000 0.891 153 G HN 0.102 nan 8.290 nan 0.000 0.544 154 K N -0.157 120.267 120.400 0.039 0.000 2.305 154 K HA 0.011 4.330 4.320 -0.000 0.000 0.199 154 K C 1.542 178.164 176.600 0.038 0.000 1.047 154 K CA 0.765 57.071 56.287 0.032 0.000 0.976 154 K CB -0.115 32.401 32.500 0.027 0.000 0.765 154 K HN 0.434 nan 8.250 nan 0.000 0.474 155 N N 1.488 120.211 118.700 0.039 0.000 3.111 155 N HA -0.002 4.738 4.740 -0.000 0.000 0.302 155 N C -0.874 174.577 175.510 -0.099 0.000 1.317 155 N CA -0.241 52.845 53.050 0.059 0.000 1.151 155 N CB -0.103 38.434 38.487 0.083 0.000 1.456 155 N HN -0.111 nan 8.380 nan 0.000 0.547 156 V N -2.980 116.851 119.914 -0.139 0.000 3.078 156 V HA 0.920 5.039 4.120 -0.000 0.000 0.311 156 V C 0.353 176.358 176.094 -0.148 0.000 1.138 156 V CA -1.104 60.969 62.300 -0.379 0.000 1.007 156 V CB 1.416 33.111 31.823 -0.213 0.000 1.045 156 V HN 0.049 nan 8.190 nan 0.000 0.432 157 G N 0.829 109.551 108.800 -0.130 0.000 2.379 157 G HA2 0.663 4.622 3.960 -0.000 0.000 0.327 157 G HA3 0.663 4.622 3.960 -0.000 0.000 0.327 157 G C -1.174 173.718 174.900 -0.012 0.000 1.145 157 G CA -0.763 44.378 45.100 0.068 0.000 0.905 157 G HN 1.129 nan 8.290 nan 0.000 0.466 158 V N 2.500 122.419 119.914 0.009 0.000 2.709 158 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 158 V C -0.334 175.766 176.094 0.009 0.000 1.062 158 V CA -0.651 61.646 62.300 -0.006 0.000 0.901 158 V CB 1.748 33.573 31.823 0.002 0.000 1.003 158 V HN 0.637 nan 8.190 nan 0.000 0.425 159 L N 4.468 125.684 121.223 -0.012 0.000 2.362 159 L HA 0.864 5.204 4.340 -0.000 0.000 0.275 159 L C 0.098 176.989 176.870 0.034 0.000 0.998 159 L CA -0.205 54.645 54.840 0.015 0.000 0.820 159 L CB 2.280 44.310 42.059 -0.049 0.000 1.270 159 L HN 0.888 nan 8.230 nan 0.000 0.415 160 T N 0.341 114.931 114.554 0.059 0.000 2.865 160 T HA 0.812 5.162 4.350 -0.000 0.000 0.294 160 T C -0.589 174.137 174.700 0.043 0.000 1.119 160 T CA -0.774 61.355 62.100 0.048 0.000 1.007 160 T CB 2.022 70.906 68.868 0.027 0.000 1.225 160 T HN 0.480 nan 8.240 nan 0.000 0.515 161 I N -1.310 119.262 120.570 0.004 0.000 2.740 161 I HA 0.922 5.091 4.170 -0.000 0.000 0.303 161 I C 0.312 176.349 176.117 -0.133 0.000 1.044 161 I CA -1.241 60.031 61.300 -0.046 0.000 1.064 161 I CB 1.847 39.820 38.000 -0.045 0.000 1.249 161 I HN 0.916 nan 8.210 nan 0.000 0.433 162 G N 2.328 111.022 108.800 -0.177 0.000 2.753 162 G HA2 0.549 4.509 3.960 -0.000 0.000 0.285 162 G HA3 0.549 4.509 3.960 -0.000 0.000 0.285 162 G C -2.281 172.414 174.900 -0.340 0.000 1.344 162 G CA -1.652 43.301 45.100 -0.246 0.000 1.050 162 G HN 0.460 nan 8.290 nan 0.000 0.532 163 P HA -0.136 nan 4.420 nan 0.000 0.217 163 P C 1.961 179.008 177.300 -0.422 0.000 1.148 163 P CA 2.168 64.990 63.100 -0.463 0.000 0.834 163 P CB 0.184 31.511 31.700 -0.621 0.000 0.783 164 A N -0.448 122.147 122.820 -0.375 0.000 1.898 164 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 164 A C 2.468 179.914 177.584 -0.230 0.000 1.181 164 A CA 1.983 53.843 52.037 -0.295 0.000 0.620 164 A CB -1.772 17.078 19.000 -0.249 0.000 0.819 164 A HN 0.283 nan 8.150 nan 0.000 0.442 165 G N -0.430 108.246 108.800 -0.207 0.000 2.402 165 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.216 165 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.216 165 G C 1.402 176.219 174.900 -0.138 0.000 1.162 165 G CA 0.935 45.949 45.100 -0.144 0.000 0.777 165 G HN 0.639 nan 8.290 nan 0.000 0.539 166 E N 0.758 120.795 120.200 -0.271 0.000 2.085 166 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 166 E C 1.771 178.348 176.600 -0.038 0.000 0.994 166 E CA 0.948 57.179 56.400 -0.282 0.000 0.801 166 E CB -0.039 29.180 29.700 -0.800 0.000 0.743 166 E HN 0.279 nan 8.360 nan 0.000 0.453 167 N N 0.408 119.040 118.700 -0.113 0.000 2.449 167 N HA 0.045 4.785 4.740 -0.000 0.000 0.191 167 N C 0.022 175.495 175.510 -0.062 0.000 1.161 167 N CA 0.306 53.321 53.050 -0.059 0.000 0.863 167 N CB 0.307 38.737 38.487 -0.096 0.000 0.980 167 N HN 0.137 nan 8.380 nan 0.000 0.458 168 L N -0.696 120.487 121.223 -0.068 0.000 3.717 168 L HA -0.192 4.148 4.340 -0.000 0.000 0.411 168 L C -0.493 176.299 176.870 -0.131 0.000 1.233 168 L CA -0.127 54.670 54.840 -0.072 0.000 0.917 168 L CB -2.353 39.688 42.059 -0.031 0.000 1.902 168 L HN -0.146 nan 8.230 nan 0.000 0.894 169 V N 0.677 120.470 119.914 -0.201 0.000 2.599 169 V HA -0.067 4.053 4.120 -0.000 0.000 0.300 169 V C 1.783 177.669 176.094 -0.347 0.000 1.034 169 V CA 0.377 62.472 62.300 -0.341 0.000 1.115 169 V CB 1.377 32.929 31.823 -0.452 0.000 0.934 169 V HN 0.324 nan 8.190 nan 0.000 0.485 170 K N 4.025 124.211 120.400 -0.357 0.000 2.211 170 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 170 K C 0.964 177.519 176.600 -0.075 0.000 1.047 170 K CA 1.607 57.791 56.287 -0.172 0.000 0.935 170 K CB -0.228 32.235 32.500 -0.061 0.000 0.728 170 K HN 0.909 nan 8.250 nan 0.000 0.452 171 Y N -2.424 117.869 120.300 -0.012 0.000 2.751 171 Y HA 0.614 5.164 4.550 -0.000 0.000 0.289 171 Y C -0.005 175.890 175.900 -0.009 0.000 1.110 171 Y CA -1.297 56.802 58.100 -0.001 0.000 1.251 171 Y CB -0.673 37.790 38.460 0.004 0.000 1.178 171 Y HN -0.173 nan 8.280 nan 0.000 0.540 172 A N 1.503 124.278 122.820 -0.076 0.000 2.425 172 A HA 0.580 4.899 4.320 -0.000 0.000 0.249 172 A C 0.379 177.972 177.584 0.015 0.000 1.084 172 A CA 0.090 52.093 52.037 -0.057 0.000 0.781 172 A CB 0.140 19.071 19.000 -0.114 0.000 1.019 172 A HN 0.661 nan 8.150 nan 0.000 0.490 173 V N 0.207 120.139 119.914 0.030 0.000 3.181 173 V HA 0.829 4.948 4.120 -0.000 0.000 0.314 173 V C -0.162 175.965 176.094 0.054 0.000 1.173 173 V CA -0.854 61.480 62.300 0.056 0.000 1.052 173 V CB 1.424 33.296 31.823 0.083 0.000 1.123 173 V HN 0.638 nan 8.190 nan 0.000 0.454 174 V N 2.549 122.515 119.914 0.087 0.000 2.427 174 V HA 0.520 4.640 4.120 -0.000 0.000 0.286 174 V C -0.209 175.952 176.094 0.113 0.000 1.034 174 V CA -0.361 62.008 62.300 0.115 0.000 0.893 174 V CB 1.181 33.118 31.823 0.190 0.000 0.982 174 V HN 0.644 nan 8.190 nan 0.000 0.452 175 I N 3.331 123.961 120.570 0.100 0.000 2.603 175 I HA 0.595 4.764 4.170 -0.000 0.000 0.300 175 I C 0.019 176.203 176.117 0.112 0.000 1.017 175 I CA -0.031 61.335 61.300 0.110 0.000 1.098 175 I CB 1.953 40.019 38.000 0.110 0.000 1.279 175 I HN 0.668 nan 8.210 nan 0.000 0.437 176 S N 3.769 119.537 115.700 0.113 0.000 2.540 176 S HA 0.376 4.846 4.470 -0.000 0.000 0.275 176 S C -0.832 173.813 174.600 0.076 0.000 1.123 176 S CA -0.321 57.934 58.200 0.092 0.000 0.907 176 S CB 1.099 64.353 63.200 0.089 0.000 1.081 176 S HN 0.644 nan 8.310 nan 0.000 0.476 177 Q N 2.362 122.192 119.800 0.048 0.000 2.435 177 Q HA -0.175 4.165 4.340 -0.000 0.000 0.312 177 Q C -0.479 175.492 176.000 -0.048 0.000 1.333 177 Q CA 1.098 56.902 55.803 0.001 0.000 0.883 177 Q CB -1.734 27.009 28.738 0.008 0.000 1.170 177 Q HN 0.875 nan 8.270 nan 0.000 0.443 178 E N -2.670 117.498 120.200 -0.054 0.000 2.238 178 E HA -0.327 4.023 4.350 -0.000 0.000 0.219 178 E C 0.866 177.424 176.600 -0.070 0.000 1.275 178 E CA 0.569 56.827 56.400 -0.237 0.000 0.714 178 E CB -1.430 27.747 29.700 -0.872 0.000 1.154 178 E HN 0.871 nan 8.360 nan 0.000 0.363 179 G N -0.378 108.474 108.800 0.086 0.000 3.990 179 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.213 179 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.213 179 G C -0.138 174.815 174.900 0.087 0.000 0.849 179 G CA -0.812 44.337 45.100 0.082 0.000 0.857 179 G HN 0.005 nan 8.290 nan 0.000 0.484 180 R N 1.435 121.987 120.500 0.087 0.000 2.265 180 R HA 0.821 5.161 4.340 -0.000 0.000 0.314 180 R C -0.018 176.350 176.300 0.112 0.000 1.053 180 R CA 0.116 56.273 56.100 0.095 0.000 0.931 180 R CB 0.904 31.259 30.300 0.091 0.000 1.024 180 R HN 0.512 nan 8.270 nan 0.000 0.457 181 A N 1.129 124.019 122.820 0.116 0.000 2.413 181 A HA 0.898 5.217 4.320 -0.000 0.000 0.307 181 A C -1.165 176.497 177.584 0.130 0.000 1.087 181 A CA -0.454 51.655 52.037 0.119 0.000 0.750 181 A CB 1.955 21.021 19.000 0.111 0.000 1.296 181 A HN 0.727 nan 8.150 nan 0.000 0.423 182 A N -0.347 122.550 122.820 0.128 0.000 2.520 182 A HA 0.777 5.097 4.320 -0.000 0.000 0.298 182 A C 0.309 177.959 177.584 0.110 0.000 1.051 182 A CA 0.089 52.205 52.037 0.131 0.000 0.690 182 A CB 0.932 20.015 19.000 0.139 0.000 1.281 182 A HN 2.776 nan 8.150 nan 0.000 0.402 183 G N 1.366 110.232 108.800 0.109 0.000 2.356 183 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.233 183 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.233 183 G C 0.622 175.580 174.900 0.096 0.000 1.105 183 G CA 0.367 45.514 45.100 0.079 0.000 0.861 183 G HN 0.964 nan 8.290 nan 0.000 0.493 184 R N -0.248 120.332 120.500 0.135 0.000 2.119 184 R HA -0.161 4.178 4.340 -0.000 0.000 0.246 184 R C -0.868 175.517 176.300 0.141 0.000 1.146 184 R CA 1.849 58.031 56.100 0.137 0.000 0.962 184 R CB -0.713 29.660 30.300 0.121 0.000 0.863 184 R HN 0.416 nan 8.270 nan 0.000 0.442 185 P HA 0.066 nan 4.420 nan 0.000 0.279 185 P C -0.004 177.333 177.300 0.061 0.000 1.451 185 P CA 0.972 64.138 63.100 0.111 0.000 0.783 185 P CB 0.112 31.870 31.700 0.096 0.000 1.490 186 G N -1.233 107.604 108.800 0.062 0.000 2.130 186 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.216 186 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.216 186 G C 0.927 175.819 174.900 -0.013 0.000 0.999 186 G CA 0.018 45.129 45.100 0.018 0.000 0.686 186 G HN 0.081 nan 8.290 nan 0.000 0.515 187 M N 0.383 119.974 119.600 -0.015 0.000 2.202 187 M HA -0.007 4.473 4.480 -0.000 0.000 0.262 187 M C 2.583 178.874 176.300 -0.015 0.000 1.063 187 M CA 2.027 57.300 55.300 -0.044 0.000 1.097 187 M CB -1.490 31.076 32.600 -0.055 0.000 1.382 187 M HN 0.448 nan 8.290 nan 0.000 0.413 188 G N -0.204 108.600 108.800 0.007 0.000 2.422 188 G HA2 0.013 3.973 3.960 -0.000 0.000 0.218 188 G HA3 0.013 3.973 3.960 -0.000 0.000 0.218 188 G C 1.675 176.571 174.900 -0.006 0.000 1.140 188 G CA 0.983 46.090 45.100 0.011 0.000 0.775 188 G HN 0.545 nan 8.290 nan 0.000 0.545 189 A N 0.155 122.960 122.820 -0.024 0.000 1.929 189 A HA 0.184 4.503 4.320 -0.000 0.000 0.216 189 A C 2.550 180.131 177.584 -0.004 0.000 1.176 189 A CA 1.496 53.515 52.037 -0.029 0.000 0.628 189 A CB -0.404 18.565 19.000 -0.052 0.000 0.816 189 A HN 0.212 nan 8.150 nan 0.000 0.444 190 V N -0.285 119.621 119.914 -0.013 0.000 2.358 190 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 190 V C 2.569 178.676 176.094 0.023 0.000 1.047 190 V CA 2.284 64.576 62.300 -0.013 0.000 1.035 190 V CB -0.700 31.093 31.823 -0.050 0.000 0.658 190 V HN 0.698 nan 8.190 nan 0.000 0.452 191 M N 0.656 120.281 119.600 0.043 0.000 2.086 191 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 191 M C 2.048 178.431 176.300 0.138 0.000 1.067 191 M CA 2.326 57.689 55.300 0.104 0.000 1.116 191 M CB -0.615 32.067 32.600 0.136 0.000 1.348 191 M HN 0.376 nan 8.290 nan 0.000 0.407 192 G N -0.820 108.052 108.800 0.119 0.000 2.432 192 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 192 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 192 G C 1.493 176.519 174.900 0.210 0.000 1.135 192 G CA 1.056 46.275 45.100 0.197 0.000 0.767 192 G HN 0.629 nan 8.290 nan 0.000 0.550 193 S N 0.324 116.088 115.700 0.107 0.000 2.447 193 S HA 0.012 4.482 4.470 -0.000 0.000 0.233 193 S C 1.859 176.494 174.600 0.057 0.000 1.006 193 S CA 1.132 59.374 58.200 0.070 0.000 0.957 193 S CB -0.115 63.101 63.200 0.027 0.000 0.773 193 S HN 0.429 nan 8.310 nan 0.000 0.507 194 K N 0.550 120.993 120.400 0.072 0.000 2.404 194 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 194 K C -0.216 176.407 176.600 0.039 0.000 1.023 194 K CA -0.160 56.155 56.287 0.046 0.000 1.094 194 K CB 0.176 32.708 32.500 0.054 0.000 0.841 194 K HN 0.050 nan 8.250 nan 0.000 0.523 195 K N 0.512 120.955 120.400 0.071 0.000 3.129 195 K HA -0.183 4.137 4.320 -0.000 0.000 0.273 195 K C -0.496 176.160 176.600 0.093 0.000 1.123 195 K CA 0.371 56.631 56.287 -0.046 0.000 0.800 195 K CB -1.989 30.357 32.500 -0.257 0.000 1.238 195 K HN 0.167 nan 8.250 nan 0.000 0.492 196 L N 0.954 122.314 121.223 0.227 0.000 2.259 196 L HA 0.254 4.594 4.340 -0.000 0.000 0.288 196 L C 1.288 178.359 176.870 0.335 0.000 1.051 196 L CA 0.040 55.022 54.840 0.237 0.000 0.824 196 L CB 1.248 43.419 42.059 0.188 0.000 1.206 196 L HN 0.006 nan 8.230 nan 0.000 0.429 197 K N 4.063 124.694 120.400 0.385 0.000 2.186 197 K HA 0.471 4.791 4.320 -0.000 0.000 0.202 197 K C 0.021 176.732 176.600 0.186 0.000 1.052 197 K CA 1.092 57.582 56.287 0.338 0.000 0.965 197 K CB 0.305 33.054 32.500 0.415 0.000 0.746 197 K HN 0.701 nan 8.250 nan 0.000 0.457 198 A N -1.255 121.686 122.820 0.202 0.000 2.566 198 A HA 0.607 4.926 4.320 -0.000 0.000 0.290 198 A C -1.723 175.948 177.584 0.144 0.000 1.071 198 A CA -0.692 51.421 52.037 0.126 0.000 0.658 198 A CB 1.423 20.446 19.000 0.039 0.000 1.285 198 A HN -0.141 nan 8.150 nan 0.000 0.427 199 V N 0.517 120.456 119.914 0.041 0.000 2.525 199 V HA 0.564 4.684 4.120 -0.000 0.000 0.299 199 V C -0.827 175.250 176.094 -0.028 0.000 1.034 199 V CA -0.541 61.745 62.300 -0.024 0.000 0.863 199 V CB 1.549 33.211 31.823 -0.269 0.000 0.999 199 V HN 0.792 nan 8.190 nan 0.000 0.423 200 V N 6.462 126.381 119.914 0.009 0.000 2.417 200 V HA 0.598 4.717 4.120 -0.000 0.000 0.291 200 V C -0.321 175.626 176.094 -0.245 0.000 1.024 200 V CA -0.334 61.917 62.300 -0.080 0.000 0.861 200 V CB 1.691 33.519 31.823 0.009 0.000 0.985 200 V HN 0.712 nan 8.190 nan 0.000 0.436 201 I N 4.819 125.243 120.570 -0.244 0.000 2.582 201 I HA 0.675 4.845 4.170 -0.000 0.000 0.292 201 I C -0.360 175.531 176.117 -0.377 0.000 1.066 201 I CA -0.772 60.377 61.300 -0.252 0.000 1.053 201 I CB 2.315 40.272 38.000 -0.071 0.000 1.241 201 I HN 0.521 nan 8.210 nan 0.000 0.421 202 R N 3.177 123.477 120.500 -0.334 0.000 2.574 202 R HA 0.758 5.098 4.340 -0.000 0.000 0.288 202 R C -1.226 175.090 176.300 0.027 0.000 1.004 202 R CA -0.520 55.370 56.100 -0.350 0.000 0.895 202 R CB 2.391 32.506 30.300 -0.308 0.000 1.191 202 R HN 0.921 nan 8.270 nan 0.000 0.444 203 G N 0.336 109.337 108.800 0.335 0.000 2.662 203 G HA2 0.367 4.326 3.960 -0.000 0.000 0.302 203 G HA3 0.367 4.326 3.960 -0.000 0.000 0.302 203 G C 0.119 175.138 174.900 0.198 0.000 1.389 203 G CA -0.352 44.878 45.100 0.217 0.000 0.998 203 G HN 0.587 nan 8.290 nan 0.000 0.502 204 T N -1.784 112.840 114.554 0.118 0.000 3.058 204 T HA 0.312 4.661 4.350 -0.000 0.000 0.278 204 T C 0.587 175.345 174.700 0.097 0.000 0.974 204 T CA -0.171 61.992 62.100 0.106 0.000 0.893 204 T CB 0.067 68.985 68.868 0.083 0.000 1.138 204 T HN 0.372 nan 8.240 nan 0.000 0.529 205 K N 1.958 122.420 120.400 0.104 0.000 2.168 205 K HA 0.316 4.636 4.320 -0.000 0.000 0.258 205 K C 0.057 176.773 176.600 0.193 0.000 1.010 205 K CA -0.411 55.959 56.287 0.138 0.000 0.929 205 K CB 0.929 33.508 32.500 0.132 0.000 0.998 205 K HN 0.380 nan 8.250 nan 0.000 0.479 206 E N 2.856 123.167 120.200 0.184 0.000 2.152 206 E HA 0.089 4.439 4.350 -0.000 0.000 0.285 206 E C -0.823 175.872 176.600 0.157 0.000 1.043 206 E CA -0.434 56.048 56.400 0.137 0.000 0.839 206 E CB 0.489 30.241 29.700 0.087 0.000 1.069 206 E HN 0.353 nan 8.360 nan 0.000 0.399 207 I N 7.762 128.366 120.570 0.056 0.000 2.452 207 I HA 0.119 4.289 4.170 -0.000 0.000 0.287 207 I C -1.750 174.213 176.117 -0.255 0.000 1.079 207 I CA -1.870 59.295 61.300 -0.224 0.000 1.387 207 I CB 0.649 38.517 38.000 -0.220 0.000 1.404 207 I HN 0.445 nan 8.210 nan 0.000 0.522 208 P HA 0.056 nan 4.420 nan 0.000 0.267 208 P C -0.702 176.598 177.300 -0.001 0.000 1.209 208 P CA 0.023 63.062 63.100 -0.103 0.000 0.763 208 P CB 0.854 32.472 31.700 -0.137 0.000 0.816 209 V N 0.246 120.182 119.914 0.036 0.000 2.656 209 V HA 0.683 4.803 4.120 -0.000 0.000 0.307 209 V C 1.107 176.973 176.094 -0.380 0.000 1.051 209 V CA -0.281 61.944 62.300 -0.124 0.000 0.893 209 V CB 1.536 33.243 31.823 -0.192 0.000 0.999 209 V HN 0.502 nan 8.190 nan 0.000 0.426 210 A N 2.773 125.213 122.820 -0.633 0.000 1.933 210 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 210 A C 1.071 178.336 177.584 -0.532 0.000 1.175 210 A CA 1.982 53.442 52.037 -0.962 0.000 0.628 210 A CB -0.357 18.249 19.000 -0.658 0.000 0.814 210 A HN 1.044 nan 8.150 nan 0.000 0.444 211 D N -1.851 118.340 120.400 -0.348 0.000 2.429 211 D HA 0.303 4.943 4.640 -0.000 0.000 0.255 211 D C 0.596 176.776 176.300 -0.200 0.000 1.257 211 D CA -0.341 53.513 54.000 -0.242 0.000 0.890 211 D CB 0.991 41.667 40.800 -0.207 0.000 1.267 211 D HN -0.026 nan 8.370 nan 0.000 0.521 212 K N 1.347 121.642 120.400 -0.175 0.000 2.057 212 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 212 K C 1.446 177.973 176.600 -0.122 0.000 1.049 212 K CA 1.482 57.683 56.287 -0.143 0.000 0.931 212 K CB 0.266 32.700 32.500 -0.110 0.000 0.714 212 K HN 0.230 nan 8.250 nan 0.000 0.440 213 E N 0.259 120.394 120.200 -0.107 0.000 2.106 213 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 213 E C 1.938 178.482 176.600 -0.094 0.000 0.984 213 E CA 1.125 57.472 56.400 -0.088 0.000 0.806 213 E CB -0.143 29.513 29.700 -0.073 0.000 0.750 213 E HN 0.380 nan 8.360 nan 0.000 0.458 214 E N 0.788 120.921 120.200 -0.111 0.000 2.107 214 E HA -0.108 4.241 4.350 -0.000 0.000 0.191 214 E C 2.001 178.521 176.600 -0.133 0.000 0.982 214 E CA 0.308 56.641 56.400 -0.112 0.000 0.809 214 E CB -0.268 29.360 29.700 -0.120 0.000 0.756 214 E HN 0.140 nan 8.360 nan 0.000 0.459 215 L N 0.957 122.081 121.223 -0.166 0.000 2.012 215 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 215 L C 1.863 178.628 176.870 -0.176 0.000 1.073 215 L CA 1.990 56.705 54.840 -0.207 0.000 0.748 215 L CB -0.415 41.501 42.059 -0.238 0.000 0.891 215 L HN -0.009 nan 8.230 nan 0.000 0.431 216 K N -0.394 119.926 120.400 -0.133 0.000 2.057 216 K HA -0.245 4.074 4.320 -0.000 0.000 0.207 216 K C 2.230 178.787 176.600 -0.072 0.000 1.049 216 K CA 1.935 58.165 56.287 -0.094 0.000 0.931 216 K CB -0.234 32.224 32.500 -0.071 0.000 0.714 216 K HN 0.318 nan 8.250 nan 0.000 0.440 217 K N 1.196 121.554 120.400 -0.070 0.000 2.026 217 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 217 K C 2.030 178.608 176.600 -0.037 0.000 1.048 217 K CA 1.132 57.392 56.287 -0.045 0.000 0.929 217 K CB -0.052 32.422 32.500 -0.044 0.000 0.713 217 K HN 0.021 nan 8.250 nan 0.000 0.439 218 L N 0.425 121.612 121.223 -0.060 0.000 2.046 218 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 218 L C 2.502 179.284 176.870 -0.148 0.000 1.077 218 L CA 1.225 56.047 54.840 -0.031 0.000 0.747 218 L CB -0.374 41.650 42.059 -0.058 0.000 0.896 218 L HN 0.183 nan 8.230 nan 0.000 0.432 219 S N -0.827 114.746 115.700 -0.212 0.000 2.368 219 S HA -0.270 4.200 4.470 -0.000 0.000 0.225 219 S C 1.929 176.418 174.600 -0.184 0.000 1.030 219 S CA 1.338 59.348 58.200 -0.318 0.000 0.999 219 S CB -0.218 62.835 63.200 -0.245 0.000 0.844 219 S HN 0.414 nan 8.310 nan 0.000 0.459 220 Q N 0.741 120.531 119.800 -0.017 0.000 2.084 220 Q HA -0.159 4.180 4.340 -0.000 0.000 0.202 220 Q C 1.907 177.920 176.000 0.022 0.000 0.978 220 Q CA 1.343 57.193 55.803 0.078 0.000 0.844 220 Q CB -0.056 28.708 28.738 0.043 0.000 0.898 220 Q HN 0.601 nan 8.270 nan 0.000 0.426 221 E N -0.075 120.111 120.200 -0.023 0.000 2.077 221 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 221 E C 1.912 178.426 176.600 -0.142 0.000 0.989 221 E CA 0.960 57.366 56.400 0.010 0.000 0.800 221 E CB -0.135 29.660 29.700 0.158 0.000 0.746 221 E HN 0.452 nan 8.360 nan 0.000 0.452 222 A N 0.651 123.162 122.820 -0.514 0.000 1.877 222 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 222 A C 1.869 179.230 177.584 -0.372 0.000 1.186 222 A CA 1.288 52.799 52.037 -0.876 0.000 0.620 222 A CB -0.791 17.499 19.000 -1.184 0.000 0.822 222 A HN 0.238 nan 8.150 nan 0.000 0.443 223 Y N 0.794 120.969 120.300 -0.208 0.000 2.165 223 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 223 Y C 2.490 178.328 175.900 -0.104 0.000 1.155 223 Y CA 1.531 59.563 58.100 -0.113 0.000 1.164 223 Y CB -0.506 37.908 38.460 -0.077 0.000 0.978 223 Y HN 0.321 nan 8.280 nan 0.000 0.513 224 N N 0.035 118.777 118.700 0.069 0.000 2.188 224 N HA -0.173 4.567 4.740 -0.000 0.000 0.184 224 N C 1.891 177.395 175.510 -0.010 0.000 1.018 224 N CA 1.296 54.352 53.050 0.010 0.000 0.858 224 N CB -0.414 38.083 38.487 0.016 0.000 0.989 224 N HN 0.516 nan 8.380 nan 0.000 0.426 225 E N 0.595 120.794 120.200 -0.001 0.000 2.153 225 E HA -0.089 4.261 4.350 -0.000 0.000 0.194 225 E C 1.875 178.487 176.600 0.020 0.000 0.988 225 E CA 0.698 57.117 56.400 0.032 0.000 0.811 225 E CB -0.006 29.745 29.700 0.085 0.000 0.746 225 E HN 0.309 nan 8.360 nan 0.000 0.466 226 I N 0.537 121.108 120.570 0.002 0.000 2.163 226 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 226 I C 2.351 178.419 176.117 -0.082 0.000 1.081 226 I CA 0.787 62.107 61.300 0.034 0.000 1.353 226 I CB -0.180 37.876 38.000 0.094 0.000 1.054 226 I HN 0.200 nan 8.210 nan 0.000 0.407 227 L N 0.600 121.675 121.223 -0.247 0.000 2.079 227 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 227 L C 1.670 178.308 176.870 -0.387 0.000 1.081 227 L CA 1.271 55.742 54.840 -0.615 0.000 0.752 227 L CB -0.580 41.255 42.059 -0.373 0.000 0.896 227 L HN 0.374 nan 8.230 nan 0.000 0.433 228 N N -0.243 118.371 118.700 -0.144 0.000 2.336 228 N HA -0.002 4.738 4.740 -0.000 0.000 0.189 228 N C 0.548 176.073 175.510 0.024 0.000 1.113 228 N CA 0.199 53.223 53.050 -0.044 0.000 0.858 228 N CB 0.128 38.605 38.487 -0.015 0.000 0.970 228 N HN 0.278 nan 8.380 nan 0.000 0.471 229 S N 0.620 116.353 115.700 0.053 0.000 2.576 229 S HA 0.263 4.733 4.470 -0.000 0.000 0.276 229 S C -1.602 173.081 174.600 0.138 0.000 1.339 229 S CA -0.947 57.313 58.200 0.101 0.000 1.039 229 S CB 1.592 64.861 63.200 0.115 0.000 0.902 229 S HN -0.114 nan 8.310 nan 0.000 0.516 230 P HA 0.061 nan 4.420 nan 0.000 0.218 230 P C 1.468 178.860 177.300 0.153 0.000 1.149 230 P CA 1.269 64.438 63.100 0.115 0.000 0.817 230 P CB -0.325 31.425 31.700 0.083 0.000 0.785 231 G N -2.114 106.781 108.800 0.158 0.000 2.813 231 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.209 231 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.209 231 G C 1.336 176.394 174.900 0.263 0.000 1.150 231 G CA -0.079 45.136 45.100 0.193 0.000 0.785 231 G HN 0.180 nan 8.290 nan 0.000 0.535 232 Y N 2.505 122.892 120.300 0.145 0.000 2.128 232 Y HA -0.112 4.438 4.550 -0.000 0.000 0.284 232 Y C 0.225 176.254 175.900 0.215 0.000 1.154 232 Y CA 1.987 60.194 58.100 0.178 0.000 1.149 232 Y CB -0.705 37.831 38.460 0.126 0.000 0.976 232 Y HN 0.219 nan 8.280 nan 0.000 0.505 233 P HA -0.215 nan 4.420 nan 0.000 0.215 233 P C 1.532 178.914 177.300 0.136 0.000 1.157 233 P CA 1.726 64.917 63.100 0.151 0.000 0.868 233 P CB -0.344 31.474 31.700 0.197 0.000 0.788 234 F N -0.962 119.010 119.950 0.037 0.000 2.234 234 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 234 F C 2.157 177.951 175.800 -0.010 0.000 1.087 234 F CA 0.764 58.769 58.000 0.008 0.000 1.340 234 F CB -0.884 38.140 39.000 0.040 0.000 1.031 234 F HN 0.012 nan 8.300 nan 0.000 0.500 235 W N 1.615 122.804 121.300 -0.185 0.000 2.355 235 W HA -0.254 4.406 4.660 -0.000 0.000 0.309 235 W C 2.260 178.563 176.519 -0.360 0.000 1.206 235 W CA 1.858 59.018 57.345 -0.309 0.000 1.284 235 W CB -0.527 28.803 29.460 -0.216 0.000 1.145 235 W HN 0.059 nan 8.180 nan 0.000 0.502 236 K N 0.665 120.848 120.400 -0.361 0.000 2.152 236 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 236 K C 2.237 178.604 176.600 -0.389 0.000 1.048 236 K CA 1.521 57.553 56.287 -0.426 0.000 0.933 236 K CB -0.127 32.145 32.500 -0.380 0.000 0.721 236 K HN 0.091 nan 8.250 nan 0.000 0.447 237 R N -0.272 120.015 120.500 -0.354 0.000 2.055 237 R HA -0.019 4.321 4.340 -0.000 0.000 0.226 237 R C 2.185 178.202 176.300 -0.472 0.000 1.135 237 R CA 1.659 57.565 56.100 -0.324 0.000 0.959 237 R CB 0.018 30.204 30.300 -0.189 0.000 0.854 237 R HN 0.281 nan 8.270 nan 0.000 0.431 238 Q N -0.799 118.568 119.800 -0.720 0.000 2.350 238 Q HA 0.190 4.530 4.340 -0.000 0.000 0.225 238 Q C 0.786 176.335 176.000 -0.752 0.000 0.878 238 Q CA 0.257 55.626 55.803 -0.724 0.000 0.935 238 Q CB 1.432 29.635 28.738 -0.891 0.000 1.099 238 Q HN 0.410 nan 8.270 nan 0.000 0.527 239 G N 1.676 109.820 108.800 -1.092 0.000 2.582 239 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.288 239 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.288 239 G C 0.847 175.181 174.900 -0.943 0.000 1.247 239 G CA 0.999 45.129 45.100 -1.617 0.000 0.972 239 G HN 0.384 nan 8.290 nan 0.000 0.557 240 T N -1.690 112.538 114.554 -0.543 0.000 3.035 240 T HA 0.074 4.424 4.350 -0.000 0.000 0.268 240 T C 2.331 176.957 174.700 -0.124 0.000 1.109 240 T CA 1.988 64.001 62.100 -0.146 0.000 1.119 240 T CB -0.100 68.770 68.868 0.003 0.000 0.900 240 T HN 0.392 nan 8.240 nan 0.000 0.503 241 M N 1.469 120.961 119.600 -0.181 0.000 2.435 241 M HA 0.141 4.621 4.480 -0.000 0.000 0.262 241 M C 2.628 178.873 176.300 -0.091 0.000 1.065 241 M CA 0.988 56.236 55.300 -0.086 0.000 1.076 241 M CB -1.500 31.014 32.600 -0.143 0.000 1.403 241 M HN 0.552 nan 8.290 nan 0.000 0.454 242 A N -0.060 122.646 122.820 -0.190 0.000 2.125 242 A HA 0.052 4.371 4.320 -0.000 0.000 0.219 242 A C 2.317 179.925 177.584 0.040 0.000 1.156 242 A CA 1.569 53.559 52.037 -0.079 0.000 0.671 242 A CB -0.614 18.332 19.000 -0.090 0.000 0.794 242 A HN 0.486 nan 8.150 nan 0.000 0.459 243 A N -0.611 122.154 122.820 -0.091 0.000 2.119 243 A HA 0.154 4.474 4.320 -0.000 0.000 0.217 243 A C 2.061 179.630 177.584 -0.026 0.000 1.153 243 A CA 1.250 53.175 52.037 -0.187 0.000 0.692 243 A CB -0.560 17.936 19.000 -0.839 0.000 0.799 243 A HN 0.315 nan 8.150 nan 0.000 0.458 244 V N 0.229 120.241 119.914 0.164 0.000 2.255 244 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 244 V C 2.568 178.793 176.094 0.218 0.000 1.051 244 V CA 2.188 64.668 62.300 0.301 0.000 1.018 244 V CB -0.607 31.368 31.823 0.253 0.000 0.641 244 V HN 0.500 nan 8.190 nan 0.000 0.445 245 E N -1.233 119.096 120.200 0.214 0.000 2.106 245 E HA -0.226 4.123 4.350 -0.000 0.000 0.192 245 E C 1.788 178.500 176.600 0.186 0.000 0.984 245 E CA 1.299 57.817 56.400 0.197 0.000 0.806 245 E CB -0.336 29.514 29.700 0.249 0.000 0.750 245 E HN 0.804 nan 8.360 nan 0.000 0.458 246 W N 0.990 122.325 121.300 0.059 0.000 2.355 246 W HA -0.237 4.422 4.660 -0.001 0.000 0.309 246 W C 2.369 178.899 176.519 0.018 0.000 1.206 246 W CA 1.562 58.931 57.345 0.039 0.000 1.284 246 W CB -0.466 29.026 29.460 0.054 0.000 1.145 246 W HN 0.025 nan 8.180 nan 0.000 0.502 247 C N 0.202 119.601 119.300 0.165 0.000 2.446 247 C HA -0.153 4.307 4.460 -0.000 0.000 0.277 247 C C 2.510 177.435 174.990 -0.109 0.000 1.275 247 C CA 1.526 60.538 59.018 -0.010 0.000 1.727 247 C CB -1.727 26.145 27.740 0.219 0.000 2.010 247 C HN 0.502 nan 8.230 nan 0.000 0.486 248 N N 0.718 119.401 118.700 -0.029 0.000 2.120 248 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 248 N C 1.657 177.044 175.510 -0.204 0.000 1.024 248 N CA 1.907 54.931 53.050 -0.043 0.000 0.852 248 N CB -0.357 38.137 38.487 0.011 0.000 1.003 248 N HN 0.407 nan 8.380 nan 0.000 0.424 249 T N 0.249 114.658 114.554 -0.241 0.000 2.833 249 T HA -0.026 4.324 4.350 -0.000 0.000 0.269 249 T C 0.993 175.339 174.700 -0.590 0.000 1.054 249 T CA 0.948 62.842 62.100 -0.344 0.000 1.135 249 T CB -0.169 68.563 68.868 -0.228 0.000 0.869 249 T HN 0.328 nan 8.240 nan 0.000 0.466 250 N N 0.371 118.717 118.700 -0.591 0.000 2.251 250 N HA 0.088 4.828 4.740 -0.000 0.000 0.217 250 N C -0.645 174.748 175.510 -0.197 0.000 1.124 250 N CA -0.016 52.746 53.050 -0.479 0.000 0.843 250 N CB 0.263 38.316 38.487 -0.724 0.000 1.024 250 N HN 0.400 nan 8.380 nan 0.000 0.501 251 Y N -0.540 119.769 120.300 0.015 0.000 3.589 251 Y HA -0.309 4.241 4.550 -0.001 0.000 0.218 251 Y C 1.076 177.067 175.900 0.151 0.000 1.234 251 Y CA 0.424 58.587 58.100 0.106 0.000 1.576 251 Y CB -2.348 36.162 38.460 0.084 0.000 1.487 251 Y HN 0.203 nan 8.280 nan 0.000 0.616 252 A N -0.769 122.140 122.820 0.148 0.000 2.469 252 A HA 0.469 4.789 4.320 -0.000 0.000 0.245 252 A C 0.266 177.958 177.584 0.181 0.000 1.221 252 A CA -0.311 51.847 52.037 0.201 0.000 0.946 252 A CB 0.411 19.478 19.000 0.112 0.000 1.049 252 A HN 0.236 nan 8.150 nan 0.000 0.529 253 L N 1.963 123.260 121.223 0.123 0.000 2.325 253 L HA 0.392 4.731 4.340 -0.000 0.000 0.284 253 L C -2.736 174.115 176.870 -0.031 0.000 1.089 253 L CA -2.121 52.759 54.840 0.066 0.000 0.836 253 L CB 0.417 42.514 42.059 0.064 0.000 1.184 253 L HN -0.095 nan 8.230 nan 0.000 0.444 254 P HA 0.087 nan 4.420 nan 0.000 0.261 254 P C -1.225 175.824 177.300 -0.418 0.000 1.203 254 P CA 0.369 63.184 63.100 -0.475 0.000 0.767 254 P CB 0.340 31.421 31.700 -1.032 0.000 0.785 255 T N 4.977 119.360 114.554 -0.285 0.000 2.841 255 T HA 0.353 4.703 4.350 -0.000 0.000 0.285 255 T C -0.295 174.203 174.700 -0.337 0.000 0.991 255 T CA -0.858 61.042 62.100 -0.333 0.000 0.966 255 T CB 0.774 69.533 68.868 -0.181 0.000 0.962 255 T HN 0.282 nan 8.240 nan 0.000 0.438 256 R N 2.722 122.909 120.500 -0.523 0.000 2.992 256 R HA -0.198 4.142 4.340 -0.000 0.000 0.263 256 R C -0.011 176.005 176.300 -0.473 0.000 0.902 256 R CA 0.233 55.762 56.100 -0.953 0.000 0.667 256 R CB -1.595 27.978 30.300 -1.211 0.000 1.504 256 R HN 0.901 nan 8.270 nan 0.000 0.489 257 N N 0.667 119.332 118.700 -0.057 0.000 2.725 257 N HA -0.252 4.487 4.740 -0.000 0.000 0.251 257 N C -0.390 175.374 175.510 0.422 0.000 1.031 257 N CA 1.657 54.883 53.050 0.293 0.000 0.720 257 N CB -0.836 37.918 38.487 0.444 0.000 0.930 257 N HN 0.592 nan 8.380 nan 0.000 0.543 258 F N -3.220 116.759 119.950 0.048 0.000 3.006 258 F HA -0.319 4.208 4.527 -0.001 0.000 0.289 258 F C 1.873 177.813 175.800 0.234 0.000 0.772 258 F CA 1.155 59.237 58.000 0.137 0.000 1.162 258 F CB -2.211 36.877 39.000 0.148 0.000 1.382 258 F HN 0.336 nan 8.300 nan 0.000 0.406 259 S N -0.924 114.928 115.700 0.254 0.000 2.370 259 S HA -0.137 4.333 4.470 -0.000 0.000 0.226 259 S C 0.861 175.627 174.600 0.277 0.000 1.033 259 S CA 1.912 60.248 58.200 0.227 0.000 1.011 259 S CB 0.050 63.264 63.200 0.024 0.000 0.852 259 S HN 0.489 nan 8.310 nan 0.000 0.457 260 D N -2.429 118.098 120.400 0.212 0.000 2.531 260 D HA 0.621 5.260 4.640 -0.000 0.000 0.244 260 D C 0.270 176.736 176.300 0.277 0.000 1.090 260 D CA -0.021 54.115 54.000 0.227 0.000 0.989 260 D CB 1.648 42.542 40.800 0.156 0.000 1.433 260 D HN 0.136 nan 8.370 nan 0.000 0.492 261 G N -0.264 108.728 108.800 0.322 0.000 3.453 261 G HA2 0.153 4.112 3.960 -0.000 0.000 0.263 261 G HA3 0.153 4.112 3.960 -0.000 0.000 0.263 261 G C -0.707 174.386 174.900 0.322 0.000 1.060 261 G CA 0.052 45.343 45.100 0.318 0.000 0.793 261 G HN 0.300 nan 8.290 nan 0.000 0.532 262 Y N 0.267 120.680 120.300 0.188 0.000 2.442 262 Y HA 0.707 5.256 4.550 -0.000 0.000 0.344 262 Y C -2.198 173.816 175.900 0.190 0.000 0.976 262 Y CA -2.426 55.771 58.100 0.163 0.000 1.040 262 Y CB 1.909 40.498 38.460 0.216 0.000 1.228 262 Y HN -0.083 nan 8.280 nan 0.000 0.451 263 F N 6.980 126.367 119.950 -0.937 0.000 2.507 263 F HA 0.335 4.862 4.527 -0.001 0.000 0.328 263 F C 0.898 176.099 175.800 -0.999 0.000 1.136 263 F CA -1.625 55.960 58.000 -0.693 0.000 0.930 263 F CB 1.439 40.242 39.000 -0.329 0.000 1.166 263 F HN 0.702 nan 8.300 nan 0.000 0.436 264 E N 4.053 123.632 120.200 -1.035 0.000 2.268 264 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 264 E C 0.193 176.066 176.600 -1.213 0.000 0.995 264 E CA 1.450 57.246 56.400 -1.006 0.000 0.836 264 E CB -0.405 28.786 29.700 -0.849 0.000 0.763 264 E HN 0.496 nan 8.360 nan 0.000 0.491 265 F N 0.536 119.723 119.950 -1.271 0.000 2.772 265 F HA 0.510 5.037 4.527 -0.000 0.000 0.302 265 F C 1.832 177.258 175.800 -0.623 0.000 1.136 265 F CA -0.334 57.129 58.000 -0.896 0.000 1.322 265 F CB 0.316 38.827 39.000 -0.816 0.000 0.967 265 F HN 0.035 nan 8.300 nan 0.000 0.513 266 A N 0.504 123.105 122.820 -0.366 0.000 1.933 266 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 266 A C 2.433 180.050 177.584 0.055 0.000 1.175 266 A CA 1.381 53.429 52.037 0.019 0.000 0.628 266 A CB -0.397 18.607 19.000 0.006 0.000 0.814 266 A HN 0.356 nan 8.150 nan 0.000 0.444 267 R N -0.229 120.280 120.500 0.016 0.000 2.127 267 R HA -0.070 4.270 4.340 -0.000 0.000 0.238 267 R C 1.952 178.298 176.300 0.076 0.000 1.134 267 R CA 1.471 57.608 56.100 0.062 0.000 0.975 267 R CB -0.318 30.005 30.300 0.038 0.000 0.865 267 R HN 0.454 nan 8.270 nan 0.000 0.447 268 S N 0.764 116.501 115.700 0.061 0.000 2.607 268 S HA 0.037 4.507 4.470 -0.000 0.000 0.224 268 S C 1.419 176.054 174.600 0.059 0.000 0.969 268 S CA 0.578 58.808 58.200 0.050 0.000 0.927 268 S CB 0.038 63.252 63.200 0.023 0.000 0.772 268 S HN 0.425 nan 8.310 nan 0.000 0.533 269 I N -0.987 119.639 120.570 0.093 0.000 3.994 269 I HA 0.355 4.524 4.170 -0.000 0.000 0.323 269 I C -0.255 175.914 176.117 0.087 0.000 1.501 269 I CA -0.747 60.605 61.300 0.087 0.000 1.112 269 I CB 0.260 38.336 38.000 0.127 0.000 1.254 269 I HN -0.070 nan 8.210 nan 0.000 0.495 270 D N 1.243 121.704 120.400 0.102 0.000 2.511 270 D HA 0.283 4.922 4.640 -0.000 0.000 0.276 270 D C 1.565 177.901 176.300 0.059 0.000 1.220 270 D CA 0.107 54.176 54.000 0.115 0.000 1.077 270 D CB 0.629 41.535 40.800 0.177 0.000 1.126 270 D HN -0.017 nan 8.370 nan 0.000 0.583 271 G N -1.421 107.385 108.800 0.009 0.000 2.432 271 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 271 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 271 G C 1.186 175.957 174.900 -0.214 0.000 1.135 271 G CA 0.638 45.639 45.100 -0.165 0.000 0.767 271 G HN 0.493 nan 8.290 nan 0.000 0.550 272 Y N 0.957 121.281 120.300 0.041 0.000 2.263 272 Y HA -0.013 4.536 4.550 -0.001 0.000 0.292 272 Y C 3.240 179.148 175.900 0.014 0.000 1.130 272 Y CA 1.480 59.604 58.100 0.040 0.000 1.179 272 Y CB -0.525 37.970 38.460 0.059 0.000 0.998 272 Y HN 0.095 nan 8.280 nan 0.000 0.532 273 T N 0.496 115.139 114.554 0.149 0.000 2.777 273 T HA -0.203 4.147 4.350 -0.000 0.000 0.266 273 T C 2.084 176.797 174.700 0.021 0.000 1.040 273 T CA 1.351 63.496 62.100 0.075 0.000 1.141 273 T CB -0.294 68.611 68.868 0.061 0.000 0.868 273 T HN 0.240 nan 8.240 nan 0.000 0.444 274 M N 1.604 121.198 119.600 -0.010 0.000 2.080 274 M HA -0.115 4.364 4.480 -0.000 0.000 0.260 274 M C 1.991 178.254 176.300 -0.062 0.000 1.068 274 M CA 1.771 57.041 55.300 -0.051 0.000 1.109 274 M CB -0.730 31.817 32.600 -0.087 0.000 1.342 274 M HN 0.298 nan 8.290 nan 0.000 0.405 275 E N -0.581 119.578 120.200 -0.069 0.000 2.085 275 E HA -0.169 4.180 4.350 -0.000 0.000 0.194 275 E C 1.822 178.410 176.600 -0.020 0.000 0.994 275 E CA 1.282 57.646 56.400 -0.061 0.000 0.801 275 E CB -0.477 29.198 29.700 -0.043 0.000 0.743 275 E HN 0.727 nan 8.360 nan 0.000 0.453 276 G N 1.154 109.959 108.800 0.009 0.000 2.559 276 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 276 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 276 G C 1.403 176.300 174.900 -0.005 0.000 1.126 276 G CA 0.683 45.790 45.100 0.013 0.000 0.778 276 G HN 0.255 nan 8.290 nan 0.000 0.543 277 M N -1.137 118.453 119.600 -0.018 0.000 2.416 277 M HA 0.466 4.946 4.480 -0.000 0.000 0.337 277 M C 0.359 176.638 176.300 -0.035 0.000 1.074 277 M CA -0.314 54.972 55.300 -0.024 0.000 0.968 277 M CB 0.429 33.014 32.600 -0.024 0.000 1.472 277 M HN -0.180 nan 8.290 nan 0.000 0.539 278 K N 2.388 122.762 120.400 -0.044 0.000 2.322 278 K HA 0.274 4.594 4.320 -0.000 0.000 0.283 278 K C 0.700 177.273 176.600 -0.046 0.000 1.042 278 K CA -0.057 56.196 56.287 -0.057 0.000 0.958 278 K CB 1.357 33.811 32.500 -0.078 0.000 0.984 278 K HN 0.286 nan 8.250 nan 0.000 0.473 279 V N 0.223 120.110 119.914 -0.046 0.000 3.548 279 V HA 0.270 4.390 4.120 -0.000 0.000 0.279 279 V C 0.193 176.261 176.094 -0.043 0.000 1.446 279 V CA -0.133 62.145 62.300 -0.038 0.000 1.023 279 V CB 0.165 31.969 31.823 -0.032 0.000 0.820 279 V HN 0.747 nan 8.190 nan 0.000 0.438 280 Q N 0.018 119.786 119.800 -0.053 0.000 2.575 280 Q HA 0.535 4.875 4.340 -0.000 0.000 0.290 280 Q C -1.801 174.157 176.000 -0.069 0.000 0.963 280 Q CA -0.456 55.313 55.803 -0.056 0.000 0.783 280 Q CB 2.907 31.612 28.738 -0.055 0.000 1.467 280 Q HN 0.469 nan 8.270 nan 0.000 0.402 281 Q N 1.427 121.188 119.800 -0.065 0.000 2.263 281 Q HA 0.495 4.834 4.340 -0.000 0.000 0.266 281 Q C -1.551 174.416 176.000 -0.055 0.000 1.002 281 Q CA -0.252 55.505 55.803 -0.076 0.000 0.790 281 Q CB 1.630 30.316 28.738 -0.088 0.000 1.272 281 Q HN 0.520 nan 8.270 nan 0.000 0.435 282 R N 1.145 121.614 120.500 -0.052 0.000 2.923 282 R HA 0.933 5.273 4.340 -0.000 0.000 0.252 282 R C -0.412 175.881 176.300 -0.011 0.000 1.130 282 R CA -0.763 55.317 56.100 -0.032 0.000 1.043 282 R CB 1.924 32.200 30.300 -0.040 0.000 1.205 282 R HN 0.664 nan 8.270 nan 0.000 0.495 283 G N -0.447 108.359 108.800 0.010 0.000 2.608 283 G HA2 0.414 4.374 3.960 -0.000 0.000 0.291 283 G HA3 0.414 4.374 3.960 -0.000 0.000 0.291 283 G C -0.967 173.963 174.900 0.051 0.000 1.425 283 G CA -0.700 44.426 45.100 0.044 0.000 0.787 283 G HN 0.629 nan 8.290 nan 0.000 0.484 284 C N 0.072 119.422 119.300 0.084 0.000 2.480 284 C HA 0.573 5.033 4.460 -0.000 0.000 0.358 284 C C -1.833 173.201 174.990 0.073 0.000 1.309 284 C CA -0.804 58.267 59.018 0.088 0.000 2.465 284 C CB 0.566 28.381 27.740 0.125 0.000 2.379 284 C HN 0.517 nan 8.230 nan 0.000 0.642 285 P HA 0.101 nan 4.420 nan 0.000 0.268 285 P C -0.602 176.758 177.300 0.100 0.000 1.205 285 P CA 0.460 63.524 63.100 -0.059 0.000 0.771 285 P CB -0.069 31.577 31.700 -0.090 0.000 0.858 286 Y N -1.904 118.463 120.300 0.112 0.000 4.079 286 Y HA -0.239 4.311 4.550 -0.000 0.000 0.223 286 Y C 0.665 176.722 175.900 0.262 0.000 1.155 286 Y CA 0.120 58.323 58.100 0.172 0.000 1.805 286 Y CB -2.148 36.433 38.460 0.202 0.000 1.571 286 Y HN 0.375 nan 8.280 nan 0.000 0.654 287 C N 2.019 121.500 119.300 0.303 0.000 2.303 287 C HA 0.502 4.962 4.460 -0.000 0.000 0.326 287 C C 1.336 176.469 174.990 0.238 0.000 1.285 287 C CA 0.080 59.278 59.018 0.301 0.000 1.675 287 C CB -0.373 27.507 27.740 0.233 0.000 2.289 287 C HN 0.660 nan 8.230 nan 0.000 0.512 288 N N 3.544 122.417 118.700 0.288 0.000 2.235 288 N HA 0.114 4.853 4.740 -0.000 0.000 0.209 288 N C 0.119 175.837 175.510 0.347 0.000 1.122 288 N CA -0.230 52.950 53.050 0.218 0.000 0.845 288 N CB 0.099 38.651 38.487 0.108 0.000 1.004 288 N HN 0.804 nan 8.380 nan 0.000 0.499 289 M N -1.649 118.162 119.600 0.353 0.000 3.287 289 M HA 0.543 5.023 4.480 -0.000 0.000 0.336 289 M C -3.042 173.482 176.300 0.374 0.000 1.573 289 M CA -1.765 53.786 55.300 0.419 0.000 0.609 289 M CB 0.769 33.625 32.600 0.427 0.000 1.421 289 M HN -0.277 nan 8.290 nan 0.000 0.476 290 P HA -0.011 nan 4.420 nan 0.000 0.264 290 P C 0.563 177.876 177.300 0.022 0.000 1.183 290 P CA 0.041 63.213 63.100 0.120 0.000 0.763 290 P CB 0.499 32.229 31.700 0.051 0.000 0.807 291 C N 0.814 120.117 119.300 0.006 0.000 3.386 291 C HA 0.486 4.945 4.460 -0.000 0.000 0.279 291 C C 1.096 175.983 174.990 -0.172 0.000 1.508 291 C CA -0.183 58.711 59.018 -0.207 0.000 1.801 291 C CB -0.664 26.974 27.740 -0.170 0.000 2.798 291 C HN 0.549 nan 8.230 nan 0.000 0.605 292 G N 2.839 111.587 108.800 -0.087 0.000 2.741 292 G HA2 0.259 4.218 3.960 -0.000 0.000 0.301 292 G HA3 0.259 4.218 3.960 -0.000 0.000 0.301 292 G C -0.356 174.481 174.900 -0.104 0.000 0.834 292 G CA -0.103 44.953 45.100 -0.073 0.000 1.683 292 G HN 0.559 nan 8.290 nan 0.000 0.506 293 N N 1.571 120.188 118.700 -0.140 0.000 2.401 293 N HA 0.139 4.879 4.740 -0.000 0.000 0.255 293 N C -0.202 175.247 175.510 -0.101 0.000 1.110 293 N CA -0.057 52.907 53.050 -0.143 0.000 0.949 293 N CB 2.236 40.604 38.487 -0.198 0.000 1.110 293 N HN 0.070 nan 8.380 nan 0.000 0.490 294 V N 3.100 122.963 119.914 -0.086 0.000 2.407 294 V HA 0.317 4.436 4.120 -0.000 0.000 0.278 294 V C 0.759 176.818 176.094 -0.059 0.000 1.037 294 V CA -0.694 61.566 62.300 -0.067 0.000 0.900 294 V CB 1.244 33.026 31.823 -0.067 0.000 0.983 294 V HN 0.394 nan 8.190 nan 0.000 0.459 295 V N 3.718 123.604 119.914 -0.047 0.000 3.166 295 V HA 0.682 4.802 4.120 -0.000 0.000 0.317 295 V C -0.506 175.572 176.094 -0.026 0.000 1.136 295 V CA -1.111 61.166 62.300 -0.039 0.000 1.035 295 V CB 2.142 33.941 31.823 -0.040 0.000 1.110 295 V HN 0.596 nan 8.190 nan 0.000 0.450 296 L N 2.372 123.581 121.223 -0.023 0.000 2.295 296 L HA 0.505 4.845 4.340 -0.000 0.000 0.285 296 L C -0.126 176.735 176.870 -0.015 0.000 1.035 296 L CA -0.601 54.231 54.840 -0.013 0.000 0.806 296 L CB 1.392 43.443 42.059 -0.013 0.000 1.214 296 L HN 1.003 nan 8.230 nan 0.000 0.426 297 D N 2.333 122.730 120.400 -0.005 0.000 2.440 297 D HA 0.172 4.812 4.640 -0.000 0.000 0.269 297 D C 1.043 177.328 176.300 -0.025 0.000 1.249 297 D CA -0.273 53.717 54.000 -0.016 0.000 1.055 297 D CB 0.762 41.567 40.800 0.008 0.000 1.104 297 D HN 0.462 nan 8.370 nan 0.000 0.561 298 A N -0.928 121.862 122.820 -0.051 0.000 2.125 298 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 298 A C 1.523 179.106 177.584 -0.002 0.000 1.156 298 A CA 1.190 53.194 52.037 -0.054 0.000 0.671 298 A CB -0.729 18.192 19.000 -0.132 0.000 0.794 298 A HN 0.631 nan 8.150 nan 0.000 0.459 299 E N -1.664 118.550 120.200 0.024 0.000 2.501 299 E HA 0.326 4.675 4.350 -0.000 0.000 0.200 299 E C 0.960 177.578 176.600 0.030 0.000 1.016 299 E CA 0.165 56.589 56.400 0.041 0.000 0.921 299 E CB 0.123 29.863 29.700 0.068 0.000 1.034 299 E HN 0.639 nan 8.360 nan 0.000 0.468 300 G N 1.627 110.438 108.800 0.017 0.000 2.155 300 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.257 300 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.257 300 G C 0.181 175.092 174.900 0.019 0.000 0.983 300 G CA 0.110 45.218 45.100 0.013 0.000 0.676 300 G HN 0.144 nan 8.290 nan 0.000 0.528 301 Q N 0.339 120.158 119.800 0.031 0.000 2.222 301 Q HA 0.424 4.763 4.340 -0.000 0.000 0.252 301 Q C 0.357 176.379 176.000 0.036 0.000 0.926 301 Q CA -0.432 55.397 55.803 0.044 0.000 0.899 301 Q CB 1.143 29.926 28.738 0.075 0.000 1.250 301 Q HN 0.631 nan 8.270 nan 0.000 0.441 302 E N 0.771 120.987 120.200 0.028 0.000 2.360 302 E HA 0.235 4.585 4.350 -0.000 0.000 0.269 302 E C -0.604 176.013 176.600 0.028 0.000 1.022 302 E CA 0.068 56.469 56.400 0.001 0.000 0.887 302 E CB 0.907 30.581 29.700 -0.042 0.000 0.990 302 E HN 0.283 nan 8.360 nan 0.000 0.426 303 S N 2.471 118.178 115.700 0.012 0.000 2.668 303 S HA 0.083 4.553 4.470 -0.000 0.000 0.277 303 S C -1.128 173.472 174.600 0.001 0.000 1.170 303 S CA -0.761 57.461 58.200 0.036 0.000 0.994 303 S CB 1.211 64.437 63.200 0.043 0.000 1.051 303 S HN 0.510 nan 8.310 nan 0.000 0.484 304 E N 4.916 125.119 120.200 0.005 0.000 2.194 304 E HA 0.357 4.707 4.350 -0.000 0.000 0.284 304 E C -0.914 175.678 176.600 -0.013 0.000 1.035 304 E CA -0.356 56.032 56.400 -0.019 0.000 0.836 304 E CB 0.544 30.232 29.700 -0.020 0.000 1.070 304 E HN 0.602 nan 8.360 nan 0.000 0.401 305 L N 4.844 126.043 121.223 -0.039 0.000 2.295 305 L HA 0.429 4.769 4.340 -0.000 0.000 0.285 305 L C -0.068 176.770 176.870 -0.053 0.000 1.035 305 L CA -0.643 54.171 54.840 -0.043 0.000 0.806 305 L CB 1.196 43.223 42.059 -0.055 0.000 1.214 305 L HN 0.441 nan 8.230 nan 0.000 0.426 306 D N 0.659 121.040 120.400 -0.033 0.000 2.527 306 D HA 0.071 4.710 4.640 -0.000 0.000 0.233 306 D C 0.262 176.557 176.300 -0.008 0.000 1.063 306 D CA -0.526 53.467 54.000 -0.012 0.000 0.880 306 D CB 2.419 43.233 40.800 0.024 0.000 1.457 306 D HN 0.434 nan 8.370 nan 0.000 0.475 307 Y N 2.134 122.384 120.300 -0.082 0.000 2.069 307 Y HA -0.311 4.238 4.550 -0.000 0.000 0.278 307 Y C 1.950 177.794 175.900 -0.095 0.000 1.175 307 Y CA 2.021 60.066 58.100 -0.093 0.000 1.134 307 Y CB 0.104 38.499 38.460 -0.107 0.000 0.965 307 Y HN 0.343 nan 8.280 nan 0.000 0.498 308 E N 0.398 120.390 120.200 -0.347 0.000 2.097 308 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 308 E C 1.785 178.198 176.600 -0.312 0.000 1.000 308 E CA 1.479 57.640 56.400 -0.398 0.000 0.804 308 E CB -0.619 29.044 29.700 -0.062 0.000 0.740 308 E HN 0.616 nan 8.360 nan 0.000 0.454 309 N N 0.646 119.239 118.700 -0.179 0.000 2.069 309 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 309 N C 2.079 177.493 175.510 -0.161 0.000 1.031 309 N CA 1.089 54.067 53.050 -0.120 0.000 0.852 309 N CB -0.682 37.772 38.487 -0.056 0.000 1.018 309 N HN 0.034 nan 8.380 nan 0.000 0.423 310 V N 1.211 121.003 119.914 -0.203 0.000 2.379 310 V HA -0.094 4.025 4.120 -0.000 0.000 0.245 310 V C 2.385 178.320 176.094 -0.264 0.000 1.044 310 V CA 1.595 63.786 62.300 -0.182 0.000 1.036 310 V CB -0.995 30.755 31.823 -0.121 0.000 0.664 310 V HN 0.316 nan 8.190 nan 0.000 0.453 311 A N -0.020 122.513 122.820 -0.480 0.000 1.877 311 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 311 A C 2.070 179.428 177.584 -0.377 0.000 1.186 311 A CA 1.546 53.279 52.037 -0.507 0.000 0.620 311 A CB -0.424 18.055 19.000 -0.868 0.000 0.822 311 A HN 0.393 nan 8.150 nan 0.000 0.443 312 L N -0.953 120.078 121.223 -0.319 0.000 2.341 312 L HA 0.134 4.473 4.340 -0.000 0.000 0.214 312 L C 1.866 178.651 176.870 -0.143 0.000 1.115 312 L CA 1.127 55.836 54.840 -0.218 0.000 0.820 312 L CB -1.050 40.919 42.059 -0.149 0.000 0.944 312 L HN 0.367 nan 8.230 nan 0.000 0.452 313 L N -1.901 119.247 121.223 -0.125 0.000 2.640 313 L HA 0.225 4.565 4.340 -0.000 0.000 0.230 313 L C 1.662 178.499 176.870 -0.054 0.000 1.123 313 L CA 0.180 54.985 54.840 -0.057 0.000 0.900 313 L CB 0.184 42.229 42.059 -0.024 0.000 1.146 313 L HN 0.201 nan 8.230 nan 0.000 0.484 314 G N -0.292 108.434 108.800 -0.124 0.000 2.487 314 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.212 314 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.212 314 G C 1.409 176.128 174.900 -0.302 0.000 1.988 314 G CA 0.738 45.765 45.100 -0.122 0.000 0.724 314 G HN 0.192 nan 8.290 nan 0.000 0.755 315 S N 1.236 116.655 115.700 -0.469 0.000 2.374 315 S HA -0.236 4.233 4.470 -0.000 0.000 0.227 315 S C 1.959 176.093 174.600 -0.777 0.000 1.037 315 S CA 2.020 59.592 58.200 -1.048 0.000 1.024 315 S CB -0.642 62.167 63.200 -0.651 0.000 0.861 315 S HN 0.406 nan 8.310 nan 0.000 0.456 316 N N 1.257 119.673 118.700 -0.473 0.000 2.364 316 N HA 0.039 4.779 4.740 -0.000 0.000 0.183 316 N C 1.211 176.620 175.510 -0.168 0.000 1.022 316 N CA 0.976 53.810 53.050 -0.360 0.000 0.883 316 N CB -0.378 37.910 38.487 -0.331 0.000 0.965 316 N HN 0.560 nan 8.380 nan 0.000 0.438 317 L N -1.755 119.397 121.223 -0.119 0.000 2.728 317 L HA 0.365 4.705 4.340 -0.000 0.000 0.238 317 L C 1.159 178.125 176.870 0.160 0.000 1.143 317 L CA 0.239 55.156 54.840 0.129 0.000 0.937 317 L CB -0.043 42.071 42.059 0.093 0.000 1.225 317 L HN 0.231 nan 8.230 nan 0.000 0.507 318 G N 1.471 110.192 108.800 -0.132 0.000 2.155 318 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 318 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 318 G C 0.202 175.224 174.900 0.203 0.000 0.983 318 G CA 0.042 45.138 45.100 -0.008 0.000 0.676 318 G HN 0.344 nan 8.290 nan 0.000 0.528 319 I N 1.032 121.664 120.570 0.102 0.000 2.304 319 I HA 0.478 4.647 4.170 -0.000 0.000 0.291 319 I C 1.392 177.682 176.117 0.289 0.000 1.018 319 I CA 0.303 61.710 61.300 0.179 0.000 1.260 319 I CB 1.496 39.570 38.000 0.124 0.000 1.390 319 I HN 0.069 nan 8.210 nan 0.000 0.475 320 G N 6.002 114.979 108.800 0.294 0.000 3.502 320 G HA2 0.208 4.168 3.960 -0.000 0.000 0.267 320 G HA3 0.208 4.168 3.960 -0.000 0.000 0.267 320 G C 0.355 175.280 174.900 0.043 0.000 1.090 320 G CA -0.234 45.028 45.100 0.270 0.000 0.795 320 G HN 0.466 nan 8.290 nan 0.000 0.535 321 K N 0.553 120.940 120.400 -0.022 0.000 2.358 321 K HA 0.327 4.647 4.320 -0.000 0.000 0.260 321 K C 0.398 176.950 176.600 -0.080 0.000 0.956 321 K CA -0.815 55.424 56.287 -0.081 0.000 0.834 321 K CB 2.406 34.817 32.500 -0.149 0.000 1.102 321 K HN -0.028 nan 8.250 nan 0.000 0.431 322 L N 3.816 125.011 121.223 -0.047 0.000 2.079 322 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 322 L C 1.833 178.653 176.870 -0.084 0.000 1.081 322 L CA 2.002 56.815 54.840 -0.046 0.000 0.752 322 L CB -0.460 41.586 42.059 -0.022 0.000 0.896 322 L HN 0.759 nan 8.230 nan 0.000 0.433 323 N N -0.817 117.818 118.700 -0.109 0.000 2.223 323 N HA -0.222 4.518 4.740 -0.000 0.000 0.185 323 N C 1.537 176.918 175.510 -0.216 0.000 1.016 323 N CA 1.825 54.799 53.050 -0.127 0.000 0.863 323 N CB -0.557 37.863 38.487 -0.111 0.000 0.983 323 N HN 0.549 nan 8.380 nan 0.000 0.429 324 E N 0.102 120.089 120.200 -0.356 0.000 2.086 324 E HA 0.027 4.377 4.350 -0.000 0.000 0.190 324 E C 1.948 178.334 176.600 -0.357 0.000 0.975 324 E CA 0.661 56.616 56.400 -0.742 0.000 0.813 324 E CB 0.095 29.116 29.700 -1.132 0.000 0.768 324 E HN 0.106 nan 8.360 nan 0.000 0.457 325 V N 1.320 121.136 119.914 -0.163 0.000 2.469 325 V HA -0.239 3.880 4.120 -0.000 0.000 0.251 325 V C 2.132 178.222 176.094 -0.007 0.000 1.064 325 V CA 1.796 64.076 62.300 -0.033 0.000 1.066 325 V CB -0.357 31.448 31.823 -0.031 0.000 0.667 325 V HN 0.195 nan 8.190 nan 0.000 0.461 326 S N -0.364 115.315 115.700 -0.034 0.000 2.423 326 S HA -0.114 4.355 4.470 -0.000 0.000 0.231 326 S C 1.976 176.600 174.600 0.039 0.000 1.014 326 S CA 1.136 59.335 58.200 -0.003 0.000 0.965 326 S CB -0.016 63.172 63.200 -0.020 0.000 0.785 326 S HN 0.418 nan 8.310 nan 0.000 0.495 327 V N 2.247 122.196 119.914 0.058 0.000 2.358 327 V HA -0.126 3.993 4.120 -0.000 0.000 0.246 327 V C 2.145 178.333 176.094 0.157 0.000 1.047 327 V CA 1.426 63.812 62.300 0.143 0.000 1.035 327 V CB -0.681 31.313 31.823 0.284 0.000 0.658 327 V HN 0.450 nan 8.190 nan 0.000 0.452 328 L N 0.214 121.547 121.223 0.184 0.000 2.046 328 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 328 L C 2.408 179.323 176.870 0.075 0.000 1.077 328 L CA 2.182 57.102 54.840 0.133 0.000 0.747 328 L CB -0.872 41.272 42.059 0.142 0.000 0.896 328 L HN 0.456 nan 8.230 nan 0.000 0.432 329 N N 0.522 119.260 118.700 0.063 0.000 2.084 329 N HA -0.248 4.492 4.740 -0.000 0.000 0.190 329 N C 2.040 177.592 175.510 0.069 0.000 1.030 329 N CA 1.326 54.405 53.050 0.049 0.000 0.849 329 N CB -0.058 38.448 38.487 0.032 0.000 1.012 329 N HN 0.097 nan 8.380 nan 0.000 0.423 330 R N 0.142 120.695 120.500 0.088 0.000 2.081 330 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 330 R C 2.089 178.409 176.300 0.034 0.000 1.131 330 R CA 1.275 57.449 56.100 0.122 0.000 0.960 330 R CB -0.277 30.109 30.300 0.142 0.000 0.856 330 R HN 0.340 nan 8.270 nan 0.000 0.436 331 I N 0.757 121.340 120.570 0.021 0.000 2.226 331 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 331 I C 2.563 178.644 176.117 -0.059 0.000 1.100 331 I CA 1.306 62.589 61.300 -0.029 0.000 1.374 331 I CB -0.417 37.587 38.000 0.008 0.000 1.057 331 I HN 0.303 nan 8.210 nan 0.000 0.413 332 A N 0.453 123.267 122.820 -0.011 0.000 1.908 332 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 332 A C 1.956 179.524 177.584 -0.028 0.000 1.181 332 A CA 2.171 54.205 52.037 -0.005 0.000 0.627 332 A CB -0.570 18.447 19.000 0.029 0.000 0.818 332 A HN 0.341 nan 8.150 nan 0.000 0.445 333 D N -0.485 119.911 120.400 -0.008 0.000 2.097 333 D HA -0.096 4.543 4.640 -0.000 0.000 0.197 333 D C 2.001 178.162 176.300 -0.232 0.000 0.984 333 D CA 1.315 55.325 54.000 0.016 0.000 0.826 333 D CB -0.380 40.568 40.800 0.245 0.000 0.973 333 D HN 0.619 nan 8.370 nan 0.000 0.460 334 E N -0.313 119.565 120.200 -0.537 0.000 2.077 334 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 334 E C 1.908 178.252 176.600 -0.426 0.000 0.989 334 E CA 0.751 56.658 56.400 -0.823 0.000 0.800 334 E CB 0.039 29.332 29.700 -0.678 0.000 0.746 334 E HN 0.183 nan 8.360 nan 0.000 0.452 335 M N -1.084 118.340 119.600 -0.294 0.000 2.447 335 M HA 0.075 4.554 4.480 -0.000 0.000 0.264 335 M C 1.106 177.275 176.300 -0.217 0.000 1.095 335 M CA 0.841 55.977 55.300 -0.274 0.000 1.125 335 M CB -0.270 32.172 32.600 -0.264 0.000 1.389 335 M HN 0.200 nan 8.290 nan 0.000 0.459 336 G N 2.546 111.256 108.800 -0.150 0.000 2.401 336 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.283 336 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.283 336 G C -0.273 174.596 174.900 -0.052 0.000 1.117 336 G CA 0.061 45.111 45.100 -0.082 0.000 1.051 336 G HN 0.448 nan 8.290 nan 0.000 0.510 337 M N -0.033 119.561 119.600 -0.009 0.000 2.530 337 M HA 0.431 4.911 4.480 -0.000 0.000 0.307 337 M C -0.372 176.004 176.300 0.126 0.000 1.161 337 M CA -1.118 54.226 55.300 0.073 0.000 0.903 337 M CB 1.864 34.531 32.600 0.111 0.000 1.711 337 M HN 0.142 nan 8.290 nan 0.000 0.451 338 D N 1.824 122.344 120.400 0.200 0.000 2.434 338 D HA 0.026 4.665 4.640 -0.000 0.000 0.252 338 D C 1.233 177.570 176.300 0.061 0.000 1.185 338 D CA 0.420 54.496 54.000 0.126 0.000 0.886 338 D CB 1.152 42.031 40.800 0.131 0.000 1.148 338 D HN 0.764 nan 8.370 nan 0.000 0.483 339 T N 1.956 116.530 114.554 0.033 0.000 2.759 339 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 339 T C 2.119 176.788 174.700 -0.052 0.000 1.042 339 T CA 1.010 63.109 62.100 -0.003 0.000 1.140 339 T CB -0.363 68.502 68.868 -0.005 0.000 0.864 339 T HN 0.522 nan 8.240 nan 0.000 0.455 340 I N 1.390 121.927 120.570 -0.054 0.000 2.110 340 I HA -0.143 4.027 4.170 -0.000 0.000 0.236 340 I C 2.998 179.032 176.117 -0.137 0.000 1.068 340 I CA 1.442 62.699 61.300 -0.071 0.000 1.333 340 I CB -0.598 37.378 38.000 -0.040 0.000 1.054 340 I HN 0.239 nan 8.210 nan 0.000 0.402 341 S N 0.818 116.374 115.700 -0.239 0.000 2.419 341 S HA -0.142 4.328 4.470 -0.000 0.000 0.233 341 S C 1.846 175.960 174.600 -0.811 0.000 1.016 341 S CA 1.076 58.965 58.200 -0.518 0.000 0.974 341 S CB -0.364 62.456 63.200 -0.635 0.000 0.786 341 S HN 0.297 nan 8.310 nan 0.000 0.492 342 L N 2.052 122.927 121.223 -0.581 0.000 2.027 342 L HA 0.076 4.416 4.340 -0.000 0.000 0.206 342 L C 2.255 179.046 176.870 -0.131 0.000 1.074 342 L CA 2.067 56.740 54.840 -0.277 0.000 0.745 342 L CB -1.295 40.772 42.059 0.012 0.000 0.898 342 L HN 0.273 nan 8.230 nan 0.000 0.433 343 G N -1.087 107.654 108.800 -0.098 0.000 2.402 343 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 343 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 343 G C 1.483 176.385 174.900 0.002 0.000 1.162 343 G CA 1.000 46.077 45.100 -0.038 0.000 0.777 343 G HN 0.334 nan 8.290 nan 0.000 0.539 344 V N 1.015 120.922 119.914 -0.012 0.000 2.515 344 V HA -0.141 3.978 4.120 -0.000 0.000 0.250 344 V C 3.050 179.194 176.094 0.083 0.000 1.058 344 V CA 2.060 64.413 62.300 0.088 0.000 1.064 344 V CB -0.233 31.644 31.823 0.090 0.000 0.675 344 V HN 0.338 nan 8.190 nan 0.000 0.461 345 S N -0.108 115.576 115.700 -0.026 0.000 2.371 345 S HA -0.015 4.455 4.470 -0.000 0.000 0.224 345 S C 1.900 176.570 174.600 0.116 0.000 1.029 345 S CA 1.304 59.522 58.200 0.030 0.000 0.978 345 S CB -0.222 62.971 63.200 -0.012 0.000 0.833 345 S HN 0.490 nan 8.310 nan 0.000 0.466 346 I N 1.712 122.329 120.570 0.077 0.000 2.252 346 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 346 I C 2.681 178.851 176.117 0.088 0.000 1.102 346 I CA 1.057 62.401 61.300 0.072 0.000 1.385 346 I CB -0.463 37.565 38.000 0.047 0.000 1.064 346 I HN 0.263 nan 8.210 nan 0.000 0.414 347 A N 0.011 122.923 122.820 0.154 0.000 1.933 347 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 347 A C 2.151 179.906 177.584 0.286 0.000 1.175 347 A CA 2.019 54.218 52.037 0.269 0.000 0.628 347 A CB -0.948 18.244 19.000 0.320 0.000 0.814 347 A HN 0.511 nan 8.150 nan 0.000 0.444 348 H N -0.553 118.641 119.070 0.207 0.000 2.321 348 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 348 H C 1.872 177.340 175.328 0.234 0.000 1.087 348 H CA 1.989 58.208 56.048 0.286 0.000 1.319 348 H CB -0.131 29.741 29.762 0.185 0.000 1.379 348 H HN 0.125 nan 8.280 nan 0.000 0.501 349 V N 0.548 120.568 119.914 0.176 0.000 2.343 349 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 349 V C 2.483 178.519 176.094 -0.096 0.000 1.051 349 V CA 2.159 64.492 62.300 0.055 0.000 1.036 349 V CB -0.532 31.323 31.823 0.053 0.000 0.654 349 V HN 0.511 nan 8.190 nan 0.000 0.451 350 M N -0.518 118.941 119.600 -0.235 0.000 2.117 350 M HA -0.232 4.248 4.480 -0.000 0.000 0.262 350 M C 2.255 178.161 176.300 -0.656 0.000 1.065 350 M CA 2.206 57.157 55.300 -0.583 0.000 1.114 350 M CB -0.477 31.470 32.600 -1.089 0.000 1.361 350 M HN 0.411 nan 8.290 nan 0.000 0.408 351 E N 0.571 120.499 120.200 -0.454 0.000 2.072 351 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 351 E C 1.986 178.403 176.600 -0.304 0.000 0.985 351 E CA 1.253 57.480 56.400 -0.288 0.000 0.801 351 E CB 0.001 29.516 29.700 -0.309 0.000 0.750 351 E HN 0.451 nan 8.360 nan 0.000 0.452 352 A N 0.493 123.237 122.820 -0.128 0.000 1.940 352 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 352 A C 2.390 179.960 177.584 -0.023 0.000 1.176 352 A CA 1.498 53.567 52.037 0.054 0.000 0.631 352 A CB -0.654 18.426 19.000 0.133 0.000 0.814 352 A HN 0.241 nan 8.150 nan 0.000 0.446 353 V N 0.966 120.832 119.914 -0.080 0.000 2.307 353 V HA -0.271 3.848 4.120 -0.000 0.000 0.245 353 V C 2.560 178.608 176.094 -0.077 0.000 1.045 353 V CA 2.293 64.547 62.300 -0.075 0.000 1.024 353 V CB -0.878 30.882 31.823 -0.105 0.000 0.651 353 V HN 0.935 nan 8.190 nan 0.000 0.449 354 E N 0.304 120.434 120.200 -0.116 0.000 2.347 354 E HA -0.181 4.168 4.350 -0.000 0.000 0.196 354 E C 2.060 178.633 176.600 -0.045 0.000 1.008 354 E CA 0.882 57.242 56.400 -0.068 0.000 0.852 354 E CB -0.241 29.431 29.700 -0.046 0.000 0.783 354 E HN 0.492 nan 8.360 nan 0.000 0.505 355 R N -0.091 120.369 120.500 -0.066 0.000 2.310 355 R HA 0.108 4.448 4.340 -0.000 0.000 0.202 355 R C 0.987 177.284 176.300 -0.004 0.000 0.933 355 R CA 0.508 56.583 56.100 -0.042 0.000 1.054 355 R CB 0.362 30.618 30.300 -0.074 0.000 0.985 355 R HN 0.426 nan 8.270 nan 0.000 0.489 356 G N 1.065 109.861 108.800 -0.006 0.000 2.162 356 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 356 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 356 G C 0.764 175.677 174.900 0.022 0.000 0.976 356 G CA 0.339 45.443 45.100 0.007 0.000 0.655 356 G HN 0.323 nan 8.290 nan 0.000 0.533 357 I N -0.252 120.341 120.570 0.038 0.000 2.353 357 I HA 0.132 4.301 4.170 -0.000 0.000 0.248 357 I C 1.461 177.605 176.117 0.045 0.000 1.119 357 I CA 0.927 62.264 61.300 0.060 0.000 1.417 357 I CB -0.067 38.002 38.000 0.115 0.000 1.078 357 I HN 0.132 nan 8.210 nan 0.000 0.421 358 L N 1.191 122.433 121.223 0.033 0.000 2.307 358 L HA 0.264 4.604 4.340 -0.000 0.000 0.284 358 L C 1.004 177.878 176.870 0.007 0.000 1.023 358 L CA -0.518 54.335 54.840 0.021 0.000 0.810 358 L CB 1.676 43.746 42.059 0.018 0.000 1.231 358 L HN -0.005 nan 8.230 nan 0.000 0.423 359 K N 1.185 121.589 120.400 0.007 0.000 2.186 359 K HA 0.135 4.454 4.320 -0.000 0.000 0.202 359 K C 0.050 176.647 176.600 -0.005 0.000 1.052 359 K CA 0.622 56.910 56.287 0.001 0.000 0.965 359 K CB 0.396 32.899 32.500 0.004 0.000 0.746 359 K HN 0.513 nan 8.250 nan 0.000 0.457 360 E N 0.178 120.375 120.200 -0.006 0.000 2.227 360 E HA 0.563 4.913 4.350 -0.000 0.000 0.268 360 E C -0.029 176.561 176.600 -0.017 0.000 0.907 360 E CA -0.502 55.892 56.400 -0.011 0.000 0.786 360 E CB 2.236 31.932 29.700 -0.007 0.000 1.191 360 E HN 0.223 nan 8.360 nan 0.000 0.411 361 G N 2.299 111.083 108.800 -0.027 0.000 2.339 361 G HA2 0.054 4.014 3.960 -0.000 0.000 0.381 361 G HA3 0.054 4.014 3.960 -0.000 0.000 0.381 361 G C -2.995 171.870 174.900 -0.057 0.000 1.400 361 G CA -0.991 44.087 45.100 -0.037 0.000 1.002 361 G HN 0.357 nan 8.290 nan 0.000 0.633 362 P HA 0.505 nan 4.420 nan 0.000 0.276 362 P C 0.111 177.322 177.300 -0.148 0.000 1.252 362 P CA 0.090 63.138 63.100 -0.088 0.000 0.802 362 P CB 1.268 32.921 31.700 -0.078 0.000 1.035 363 T N -2.486 111.984 114.554 -0.139 0.000 2.926 363 T HA 0.542 4.891 4.350 -0.000 0.000 0.289 363 T C 0.099 174.694 174.700 -0.175 0.000 1.054 363 T CA -0.697 61.273 62.100 -0.216 0.000 1.015 363 T CB 0.298 69.113 68.868 -0.089 0.000 1.167 363 T HN 0.059 nan 8.240 nan 0.000 0.526 364 F N 1.372 121.335 119.950 0.021 0.000 2.607 364 F HA 0.415 4.942 4.527 -0.000 0.000 0.374 364 F C 1.888 177.723 175.800 0.060 0.000 1.104 364 F CA 1.171 59.190 58.000 0.032 0.000 1.296 364 F CB -0.344 38.673 39.000 0.029 0.000 1.085 364 F HN 1.103 nan 8.300 nan 0.000 0.584 365 G N 1.823 110.788 108.800 0.275 0.000 2.195 365 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 365 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 365 G C 0.049 175.044 174.900 0.158 0.000 0.984 365 G CA 0.046 45.271 45.100 0.209 0.000 0.633 365 G HN 0.717 nan 8.290 nan 0.000 0.525 366 D N 0.277 120.749 120.400 0.120 0.000 2.483 366 D HA 0.408 5.048 4.640 -0.000 0.000 0.220 366 D C 1.225 177.579 176.300 0.090 0.000 1.173 366 D CA -0.883 53.164 54.000 0.080 0.000 0.964 366 D CB -0.448 40.362 40.800 0.017 0.000 1.046 366 D HN 0.105 nan 8.370 nan 0.000 0.517 367 F N 4.394 124.355 119.950 0.018 0.000 2.069 367 F HA -0.181 4.345 4.527 -0.000 0.000 0.298 367 F C 1.768 177.573 175.800 0.008 0.000 1.113 367 F CA 1.423 59.432 58.000 0.013 0.000 1.214 367 F CB 0.061 39.067 39.000 0.010 0.000 0.978 367 F HN 0.170 nan 8.300 nan 0.000 0.474 368 K N 0.497 120.645 120.400 -0.420 0.000 2.032 368 K HA -0.133 4.187 4.320 -0.000 0.000 0.209 368 K C 2.403 178.813 176.600 -0.316 0.000 1.048 368 K CA 1.435 57.446 56.287 -0.460 0.000 0.927 368 K CB -1.545 30.849 32.500 -0.177 0.000 0.712 368 K HN 0.487 nan 8.250 nan 0.000 0.441 369 G N 1.072 109.765 108.800 -0.179 0.000 2.422 369 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.218 369 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.218 369 G C 1.715 176.545 174.900 -0.117 0.000 1.140 369 G CA 0.965 45.994 45.100 -0.119 0.000 0.775 369 G HN 0.381 nan 8.290 nan 0.000 0.545 370 A N 0.642 123.387 122.820 -0.124 0.000 1.929 370 A HA 0.070 4.390 4.320 -0.000 0.000 0.216 370 A C 2.178 179.700 177.584 -0.105 0.000 1.176 370 A CA 1.981 53.974 52.037 -0.073 0.000 0.628 370 A CB -0.349 18.651 19.000 0.001 0.000 0.816 370 A HN 0.390 nan 8.150 nan 0.000 0.444 371 K N -0.782 119.470 120.400 -0.246 0.000 2.026 371 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 371 K C 2.283 178.807 176.600 -0.127 0.000 1.048 371 K CA 1.798 57.950 56.287 -0.225 0.000 0.929 371 K CB -0.173 32.050 32.500 -0.462 0.000 0.713 371 K HN 0.369 nan 8.250 nan 0.000 0.439 372 Q N 0.918 120.635 119.800 -0.139 0.000 2.084 372 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 372 Q C 1.942 177.922 176.000 -0.034 0.000 0.978 372 Q CA 1.418 57.176 55.803 -0.076 0.000 0.844 372 Q CB -0.353 28.337 28.738 -0.080 0.000 0.898 372 Q HN 0.371 nan 8.270 nan 0.000 0.426 373 L N -0.005 121.197 121.223 -0.036 0.000 2.093 373 L HA 0.027 4.366 4.340 -0.000 0.000 0.208 373 L C 2.015 178.895 176.870 0.016 0.000 1.085 373 L CA 2.134 56.971 54.840 -0.005 0.000 0.755 373 L CB -1.132 40.924 42.059 -0.006 0.000 0.904 373 L HN 0.227 nan 8.230 nan 0.000 0.435 374 A N -0.466 122.360 122.820 0.010 0.000 1.902 374 A HA -0.175 4.144 4.320 -0.000 0.000 0.217 374 A C 2.262 179.860 177.584 0.024 0.000 1.181 374 A CA 2.036 54.089 52.037 0.026 0.000 0.623 374 A CB -0.889 18.124 19.000 0.021 0.000 0.818 374 A HN 0.498 nan 8.150 nan 0.000 0.443 375 L N -0.584 120.661 121.223 0.037 0.000 2.093 375 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 375 L C 1.896 178.860 176.870 0.157 0.000 1.085 375 L CA 1.267 56.171 54.840 0.106 0.000 0.755 375 L CB -0.557 41.569 42.059 0.113 0.000 0.904 375 L HN 0.287 nan 8.230 nan 0.000 0.435 376 D N 0.079 120.532 120.400 0.087 0.000 2.178 376 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 376 D C 2.266 178.600 176.300 0.056 0.000 0.974 376 D CA 1.101 55.149 54.000 0.081 0.000 0.841 376 D CB 0.057 40.880 40.800 0.040 0.000 0.953 376 D HN 0.312 nan 8.370 nan 0.000 0.478 377 I N 1.045 121.631 120.570 0.027 0.000 2.202 377 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 377 I C 2.443 178.510 176.117 -0.084 0.000 1.091 377 I CA 0.905 62.200 61.300 -0.008 0.000 1.368 377 I CB -0.137 37.884 38.000 0.036 0.000 1.058 377 I HN -0.085 nan 8.210 nan 0.000 0.410 378 A N 0.049 122.790 122.820 -0.132 0.000 1.940 378 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 378 A C 1.780 179.110 177.584 -0.424 0.000 1.176 378 A CA 1.685 53.527 52.037 -0.325 0.000 0.631 378 A CB -0.808 17.916 19.000 -0.460 0.000 0.814 378 A HN 0.516 nan 8.150 nan 0.000 0.446 379 Y N -1.692 118.567 120.300 -0.068 0.000 2.485 379 Y HA 0.324 4.874 4.550 -0.000 0.000 0.260 379 Y C 0.610 176.482 175.900 -0.046 0.000 1.173 379 Y CA -0.253 57.811 58.100 -0.061 0.000 1.252 379 Y CB 0.036 38.465 38.460 -0.052 0.000 1.123 379 Y HN 0.241 nan 8.280 nan 0.000 0.524 380 R N 0.826 121.354 120.500 0.046 0.000 3.188 380 R HA -0.227 4.112 4.340 -0.000 0.000 0.247 380 R C -0.592 175.737 176.300 0.048 0.000 0.918 380 R CA 0.317 56.432 56.100 0.024 0.000 0.629 380 R CB -1.018 29.282 30.300 0.000 0.000 1.087 380 R HN 0.036 nan 8.270 nan 0.000 0.462 381 K N 1.105 121.542 120.400 0.061 0.000 2.281 381 K HA 0.456 4.776 4.320 -0.000 0.000 0.272 381 K C 0.326 176.940 176.600 0.023 0.000 1.048 381 K CA 0.844 57.156 56.287 0.043 0.000 0.898 381 K CB 1.415 33.943 32.500 0.047 0.000 1.128 381 K HN 0.493 nan 8.250 nan 0.000 0.460 382 G N 2.374 111.182 108.800 0.014 0.000 2.756 382 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.678 382 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.678 382 G C 0.446 175.352 174.900 0.010 0.000 1.349 382 G CA -0.065 45.040 45.100 0.009 0.000 0.847 382 G HN 0.554 nan 8.290 nan 0.000 0.548 383 E N -0.518 119.687 120.200 0.008 0.000 2.051 383 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 383 E C 2.581 179.190 176.600 0.015 0.000 0.991 383 E CA 1.464 57.870 56.400 0.010 0.000 0.799 383 E CB -0.093 29.612 29.700 0.008 0.000 0.748 383 E HN 0.521 nan 8.360 nan 0.000 0.449 384 L N 0.229 121.461 121.223 0.015 0.000 2.017 384 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 384 L C 2.542 179.429 176.870 0.028 0.000 1.073 384 L CA 1.702 56.555 54.840 0.022 0.000 0.745 384 L CB -0.826 41.243 42.059 0.016 0.000 0.894 384 L HN 0.268 nan 8.230 nan 0.000 0.432 385 G N -0.714 108.100 108.800 0.023 0.000 2.422 385 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.218 385 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.218 385 G C 1.399 176.309 174.900 0.016 0.000 1.146 385 G CA 0.590 45.705 45.100 0.026 0.000 0.769 385 G HN 0.366 nan 8.290 nan 0.000 0.547 386 N N -0.024 118.683 118.700 0.011 0.000 2.171 386 N HA -0.054 4.686 4.740 -0.000 0.000 0.184 386 N C 2.153 177.664 175.510 0.003 0.000 1.021 386 N CA 0.925 53.975 53.050 -0.001 0.000 0.854 386 N CB -0.091 38.397 38.487 0.001 0.000 0.994 386 N HN 0.264 nan 8.380 nan 0.000 0.426 387 L N 1.481 122.714 121.223 0.017 0.000 2.017 387 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 387 L C 2.190 179.086 176.870 0.043 0.000 1.073 387 L CA 1.626 56.481 54.840 0.025 0.000 0.745 387 L CB -0.787 41.292 42.059 0.033 0.000 0.894 387 L HN 0.049 nan 8.230 nan 0.000 0.432 388 A N -0.555 122.303 122.820 0.064 0.000 1.969 388 A HA -0.011 4.309 4.320 -0.000 0.000 0.218 388 A C 2.365 180.044 177.584 0.158 0.000 1.169 388 A CA 1.329 53.433 52.037 0.112 0.000 0.635 388 A CB -1.069 18.001 19.000 0.116 0.000 0.810 388 A HN 0.558 nan 8.150 nan 0.000 0.445 389 A N -0.408 122.442 122.820 0.050 0.000 2.178 389 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 389 A C 1.676 179.192 177.584 -0.113 0.000 1.157 389 A CA 1.457 53.434 52.037 -0.100 0.000 0.689 389 A CB -0.254 18.667 19.000 -0.132 0.000 0.787 389 A HN 0.433 nan 8.150 nan 0.000 0.465 390 E N -0.777 119.430 120.200 0.010 0.000 2.385 390 E HA 0.282 4.631 4.350 -0.000 0.000 0.194 390 E C 1.099 177.750 176.600 0.084 0.000 1.013 390 E CA 0.791 57.197 56.400 0.011 0.000 0.866 390 E CB -0.281 29.416 29.700 -0.004 0.000 0.832 390 E HN 0.760 nan 8.360 nan 0.000 0.500 391 G N 0.354 109.278 108.800 0.206 0.000 2.662 391 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.686 391 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.686 391 G C 0.825 175.702 174.900 -0.038 0.000 1.271 391 G CA -0.243 44.954 45.100 0.163 0.000 0.816 391 G HN 0.199 nan 8.290 nan 0.000 0.608 392 V N -0.986 118.836 119.914 -0.153 0.000 2.407 392 V HA -0.045 4.074 4.120 -0.000 0.000 0.248 392 V C 2.637 178.517 176.094 -0.357 0.000 1.055 392 V CA 2.794 64.884 62.300 -0.351 0.000 1.049 392 V CB -0.712 30.882 31.823 -0.382 0.000 0.662 392 V HN 0.987 nan 8.190 nan 0.000 0.455 393 K N 1.192 121.361 120.400 -0.385 0.000 2.002 393 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 393 K C 2.267 178.750 176.600 -0.194 0.000 1.048 393 K CA 1.861 57.891 56.287 -0.429 0.000 0.930 393 K CB -0.566 31.547 32.500 -0.645 0.000 0.714 393 K HN 0.542 nan 8.250 nan 0.000 0.438 394 A N 1.399 124.135 122.820 -0.141 0.000 1.898 394 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 394 A C 2.158 179.706 177.584 -0.060 0.000 1.181 394 A CA 1.714 53.706 52.037 -0.075 0.000 0.620 394 A CB -0.524 18.448 19.000 -0.047 0.000 0.819 394 A HN 0.576 nan 8.150 nan 0.000 0.442 395 M N -0.339 119.215 119.600 -0.076 0.000 2.175 395 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 395 M C 2.150 178.436 176.300 -0.023 0.000 1.063 395 M CA 1.652 56.929 55.300 -0.038 0.000 1.119 395 M CB -0.184 32.398 32.600 -0.031 0.000 1.377 395 M HN 0.373 nan 8.290 nan 0.000 0.415 396 A N -0.148 122.617 122.820 -0.092 0.000 1.969 396 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 396 A C 1.979 179.561 177.584 -0.003 0.000 1.169 396 A CA 1.859 53.877 52.037 -0.031 0.000 0.635 396 A CB -0.822 18.133 19.000 -0.076 0.000 0.810 396 A HN 0.710 nan 8.150 nan 0.000 0.445 397 E N -0.492 119.697 120.200 -0.019 0.000 2.106 397 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 397 E C 1.833 178.429 176.600 -0.008 0.000 0.984 397 E CA 1.313 57.704 56.400 -0.016 0.000 0.806 397 E CB 0.015 29.698 29.700 -0.029 0.000 0.750 397 E HN 0.393 nan 8.360 nan 0.000 0.458 398 K N 0.124 120.522 120.400 -0.003 0.000 2.062 398 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 398 K C 1.858 178.468 176.600 0.016 0.000 1.051 398 K CA 0.841 57.131 56.287 0.005 0.000 0.941 398 K CB 0.008 32.513 32.500 0.007 0.000 0.719 398 K HN 0.148 nan 8.250 nan 0.000 0.440 399 L N -1.084 120.155 121.223 0.027 0.000 2.509 399 L HA 0.217 4.556 4.340 -0.000 0.000 0.222 399 L C 0.795 177.682 176.870 0.027 0.000 1.123 399 L CA 0.336 55.197 54.840 0.036 0.000 0.856 399 L CB -0.247 41.847 42.059 0.059 0.000 0.985 399 L HN 0.378 nan 8.230 nan 0.000 0.456 400 G N 1.381 110.191 108.800 0.017 0.000 2.225 400 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 400 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 400 G C 0.500 175.401 174.900 0.002 0.000 1.060 400 G CA 0.522 45.633 45.100 0.019 0.000 0.833 400 G HN 0.411 nan 8.290 nan 0.000 0.498 401 T N -3.368 111.145 114.554 -0.067 0.000 3.293 401 T HA 0.352 4.701 4.350 -0.000 0.000 0.276 401 T C 1.256 175.746 174.700 -0.350 0.000 1.003 401 T CA 0.702 62.602 62.100 -0.334 0.000 0.916 401 T CB 0.278 68.744 68.868 -0.670 0.000 1.134 401 T HN 0.574 nan 8.240 nan 0.000 0.530 402 H N 2.264 121.234 119.070 -0.166 0.000 2.426 402 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 402 H C 1.156 176.436 175.328 -0.081 0.000 1.107 402 H CA 2.178 58.169 56.048 -0.096 0.000 1.298 402 H CB -0.393 29.345 29.762 -0.040 0.000 1.377 402 H HN 0.480 nan 8.280 nan 0.000 0.519 403 D N -0.706 119.600 120.400 -0.157 0.000 2.182 403 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 403 D C 0.717 177.028 176.300 0.019 0.000 0.986 403 D CA 1.644 55.605 54.000 -0.065 0.000 0.847 403 D CB -0.152 40.735 40.800 0.145 0.000 0.942 403 D HN 0.715 nan 8.370 nan 0.000 0.467 404 F N -1.913 118.030 119.950 -0.013 0.000 2.805 404 F HA 0.647 5.173 4.527 -0.000 0.000 0.317 404 F C -0.162 175.726 175.800 0.146 0.000 1.146 404 F CA -1.215 56.800 58.000 0.025 0.000 1.265 404 F CB -0.114 38.916 39.000 0.049 0.000 0.992 404 F HN -0.216 nan 8.300 nan 0.000 0.511 405 A N 2.498 125.287 122.820 -0.052 0.000 2.391 405 A HA 0.560 4.879 4.320 -0.000 0.000 0.316 405 A C 0.165 177.672 177.584 -0.129 0.000 1.381 405 A CA -0.475 51.522 52.037 -0.066 0.000 0.998 405 A CB -0.046 18.900 19.000 -0.090 0.000 1.147 405 A HN 0.338 nan 8.150 nan 0.000 0.545 406 M N 4.544 124.048 119.600 -0.160 0.000 2.557 406 M HA 0.244 4.723 4.480 -0.000 0.000 0.328 406 M C -0.096 176.010 176.300 -0.324 0.000 1.423 406 M CA 0.445 55.476 55.300 -0.447 0.000 1.418 406 M CB -1.508 30.672 32.600 -0.699 0.000 1.381 406 M HN 0.913 nan 8.290 nan 0.000 0.467 407 H N -0.173 118.675 119.070 -0.370 0.000 2.981 407 H HA 0.827 5.382 4.556 -0.000 0.000 0.327 407 H C -1.868 173.352 175.328 -0.179 0.000 1.342 407 H CA -1.126 54.784 56.048 -0.230 0.000 1.123 407 H CB 1.283 30.971 29.762 -0.123 0.000 1.851 407 H HN 0.117 nan 8.280 nan 0.000 0.531 408 V N 1.984 121.864 119.914 -0.057 0.000 2.569 408 V HA 0.295 4.415 4.120 -0.000 0.000 0.301 408 V C -0.195 176.030 176.094 0.217 0.000 1.044 408 V CA -0.952 61.335 62.300 -0.022 0.000 0.874 408 V CB 1.223 33.051 31.823 0.009 0.000 1.002 408 V HN 0.984 nan 8.190 nan 0.000 0.424 409 K N 3.287 123.832 120.400 0.242 0.000 3.209 409 K HA -0.239 4.081 4.320 -0.000 0.000 0.289 409 K C 1.089 177.951 176.600 0.436 0.000 1.191 409 K CA 0.860 57.323 56.287 0.293 0.000 0.851 409 K CB -1.450 31.126 32.500 0.126 0.000 1.242 409 K HN 1.670 nan 8.250 nan 0.000 0.480 410 G N -0.308 108.769 108.800 0.462 0.000 2.175 410 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 410 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 410 G C -0.214 174.773 174.900 0.144 0.000 0.982 410 G CA 0.142 45.309 45.100 0.112 0.000 0.641 410 G HN 0.199 nan 8.290 nan 0.000 0.527 411 L N 2.362 123.741 121.223 0.259 0.000 2.282 411 L HA 0.656 4.996 4.340 -0.000 0.000 0.288 411 L C 0.437 177.398 176.870 0.152 0.000 1.033 411 L CA -1.438 53.523 54.840 0.202 0.000 0.807 411 L CB 0.878 43.094 42.059 0.262 0.000 1.209 411 L HN 0.253 nan 8.230 nan 0.000 0.423 412 E N 4.272 124.513 120.200 0.068 0.000 2.392 412 E HA 0.117 4.467 4.350 -0.000 0.000 0.264 412 E C -0.143 176.449 176.600 -0.014 0.000 1.024 412 E CA -0.424 55.983 56.400 0.011 0.000 0.903 412 E CB 0.379 30.054 29.700 -0.041 0.000 0.963 412 E HN 0.362 nan 8.360 nan 0.000 0.432 413 V N 2.729 122.551 119.914 -0.153 0.000 2.788 413 V HA -0.046 4.074 4.120 -0.000 0.000 0.307 413 V C 1.283 177.422 176.094 0.074 0.000 1.069 413 V CA 0.405 62.538 62.300 -0.278 0.000 1.173 413 V CB 0.519 31.901 31.823 -0.735 0.000 0.925 413 V HN 0.891 nan 8.190 nan 0.000 0.492 414 S N 3.644 119.496 115.700 0.252 0.000 2.397 414 S HA 0.347 4.817 4.470 -0.000 0.000 0.261 414 S C 1.342 176.190 174.600 0.413 0.000 1.187 414 S CA 0.064 58.511 58.200 0.412 0.000 1.023 414 S CB 0.308 63.873 63.200 0.609 0.000 1.103 414 S HN 1.026 nan 8.310 nan 0.000 0.474 415 G N -0.423 108.472 108.800 0.159 0.000 3.295 415 G HA2 0.286 4.246 3.960 -0.000 0.000 0.231 415 G HA3 0.286 4.246 3.960 -0.000 0.000 0.231 415 G C -0.871 173.807 174.900 -0.371 0.000 1.277 415 G CA 0.023 45.003 45.100 -0.200 0.000 1.013 415 G HN 0.493 nan 8.290 nan 0.000 0.509 416 Y N -0.384 120.257 120.300 0.568 0.000 2.329 416 Y HA 0.343 4.893 4.550 -0.000 0.000 0.328 416 Y C -0.190 176.025 175.900 0.524 0.000 0.992 416 Y CA -1.746 56.659 58.100 0.509 0.000 1.151 416 Y CB 1.242 40.010 38.460 0.513 0.000 1.150 416 Y HN -0.091 nan 8.280 nan 0.000 0.450 417 N N 2.123 121.092 118.700 0.448 0.000 2.430 417 N HA 0.166 4.906 4.740 -0.000 0.000 0.265 417 N C -0.707 174.767 175.510 -0.059 0.000 1.100 417 N CA -0.149 53.110 53.050 0.348 0.000 0.961 417 N CB 0.821 39.519 38.487 0.352 0.000 1.075 417 N HN 0.702 nan 8.380 nan 0.000 0.478 418 C N 4.347 123.068 119.300 -0.966 0.000 2.470 418 C HA 0.218 4.678 4.460 -0.000 0.000 0.311 418 C C 1.477 175.822 174.990 -1.075 0.000 1.387 418 C CA -0.645 57.769 59.018 -1.008 0.000 1.783 418 C CB -2.197 24.886 27.740 -1.095 0.000 2.416 418 C HN 0.727 nan 8.230 nan 0.000 0.558 419 Y N 1.827 121.664 120.300 -0.772 0.000 2.151 419 Y HA -0.151 4.398 4.550 -0.001 0.000 0.284 419 Y C 2.085 177.784 175.900 -0.336 0.000 1.166 419 Y CA 1.830 59.682 58.100 -0.413 0.000 1.163 419 Y CB -0.159 38.211 38.460 -0.150 0.000 0.974 419 Y HN 0.497 nan 8.280 nan 0.000 0.511 420 I N -4.329 116.041 120.570 -0.333 0.000 3.856 420 I HA 0.222 4.392 4.170 -0.000 0.000 0.330 420 I C -1.155 174.545 176.117 -0.695 0.000 1.546 420 I CA -0.206 60.802 61.300 -0.488 0.000 1.132 420 I CB -0.029 37.611 38.000 -0.599 0.000 1.157 420 I HN -0.160 nan 8.210 nan 0.000 0.440 421 Y N 1.430 121.615 120.300 -0.191 0.000 2.749 421 Y HA 0.473 5.022 4.550 -0.001 0.000 0.343 421 Y C -2.017 173.794 175.900 -0.149 0.000 1.015 421 Y CA -2.534 55.466 58.100 -0.167 0.000 1.270 421 Y CB 0.799 39.130 38.460 -0.215 0.000 1.097 421 Y HN -0.041 nan 8.280 nan 0.000 0.571 422 P HA -0.265 nan 4.420 nan 0.000 0.214 422 P C 1.524 178.885 177.300 0.100 0.000 1.163 422 P CA 2.572 65.647 63.100 -0.041 0.000 0.889 422 P CB 0.428 31.858 31.700 -0.449 0.000 0.790 423 A N -1.228 121.643 122.820 0.085 0.000 1.902 423 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 423 A C 2.237 179.867 177.584 0.077 0.000 1.181 423 A CA 2.198 54.298 52.037 0.106 0.000 0.623 423 A CB -1.472 17.644 19.000 0.193 0.000 0.818 423 A HN 0.122 nan 8.150 nan 0.000 0.443 424 M N -0.067 119.571 119.600 0.063 0.000 2.254 424 M HA 0.096 4.575 4.480 -0.000 0.000 0.265 424 M C 2.070 178.453 176.300 0.139 0.000 1.066 424 M CA 1.384 56.690 55.300 0.010 0.000 1.123 424 M CB -0.559 32.014 32.600 -0.046 0.000 1.388 424 M HN 0.367 nan 8.290 nan 0.000 0.425 425 A N -0.367 122.575 122.820 0.204 0.000 1.930 425 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 425 A C 2.083 179.906 177.584 0.399 0.000 1.175 425 A CA 1.566 53.821 52.037 0.363 0.000 0.627 425 A CB -1.029 18.095 19.000 0.207 0.000 0.815 425 A HN 0.541 nan 8.150 nan 0.000 0.443 426 L N -0.350 121.086 121.223 0.355 0.000 2.093 426 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 426 L C 2.617 179.533 176.870 0.077 0.000 1.085 426 L CA 1.954 56.939 54.840 0.242 0.000 0.755 426 L CB -0.627 41.450 42.059 0.029 0.000 0.904 426 L HN 0.327 nan 8.230 nan 0.000 0.435 427 A N -1.152 121.707 122.820 0.066 0.000 1.877 427 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 427 A C 2.131 179.777 177.584 0.104 0.000 1.186 427 A CA 1.986 54.032 52.037 0.015 0.000 0.620 427 A CB -1.106 17.851 19.000 -0.072 0.000 0.822 427 A HN 0.523 nan 8.150 nan 0.000 0.443 428 Y N 0.125 120.554 120.300 0.216 0.000 2.242 428 Y HA -0.018 4.532 4.550 -0.000 0.000 0.291 428 Y C 2.792 178.792 175.900 0.167 0.000 1.137 428 Y CA 0.692 58.935 58.100 0.238 0.000 1.181 428 Y CB -1.015 37.629 38.460 0.306 0.000 0.989 428 Y HN 0.312 nan 8.280 nan 0.000 0.527 429 G N -1.161 107.828 108.800 0.316 0.000 2.418 429 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 429 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 429 G C 1.601 176.593 174.900 0.154 0.000 1.158 429 G CA 1.657 46.888 45.100 0.217 0.000 0.771 429 G HN 0.449 nan 8.290 nan 0.000 0.545 430 T N -1.959 112.637 114.554 0.070 0.000 3.086 430 T HA 0.293 4.643 4.350 -0.000 0.000 0.250 430 T C 1.265 176.091 174.700 0.209 0.000 1.074 430 T CA 0.562 62.687 62.100 0.042 0.000 0.988 430 T CB 0.027 68.618 68.868 -0.462 0.000 0.988 430 T HN 0.174 nan 8.240 nan 0.000 0.530 431 S N 1.083 116.917 115.700 0.225 0.000 2.626 431 S HA 0.333 4.803 4.470 -0.000 0.000 0.303 431 S C 1.784 176.544 174.600 0.266 0.000 1.256 431 S CA 0.097 58.465 58.200 0.281 0.000 1.069 431 S CB 0.061 63.446 63.200 0.308 0.000 0.807 431 S HN 0.600 nan 8.310 nan 0.000 0.500 432 A N 5.180 128.158 122.820 0.262 0.000 2.032 432 A HA -0.088 4.232 4.320 -0.000 0.000 0.221 432 A C 1.770 179.608 177.584 0.422 0.000 1.165 432 A CA 1.805 53.958 52.037 0.193 0.000 0.645 432 A CB -0.756 18.159 19.000 -0.142 0.000 0.807 432 A HN 1.145 nan 8.150 nan 0.000 0.453 433 I N -5.282 115.564 120.570 0.459 0.000 4.018 433 I HA 0.554 4.723 4.170 -0.000 0.000 0.337 433 I C 0.779 177.265 176.117 0.615 0.000 1.327 433 I CA 0.195 61.882 61.300 0.644 0.000 1.100 433 I CB -0.203 38.072 38.000 0.458 0.000 1.025 433 I HN 0.392 nan 8.210 nan 0.000 0.396 434 G N 1.559 110.611 108.800 0.421 0.000 2.462 434 G HA2 0.166 4.126 3.960 -0.000 0.000 0.685 434 G HA3 0.166 4.126 3.960 -0.000 0.000 0.685 434 G C -0.287 174.824 174.900 0.351 0.000 1.295 434 G CA -0.582 44.728 45.100 0.350 0.000 0.941 434 G HN 0.715 nan 8.290 nan 0.000 0.554 435 A N 0.927 123.933 122.820 0.310 0.000 2.550 435 A HA 0.483 4.803 4.320 -0.000 0.000 0.263 435 A C 0.442 178.340 177.584 0.523 0.000 1.065 435 A CA 1.736 54.007 52.037 0.391 0.000 0.786 435 A CB -0.377 18.707 19.000 0.141 0.000 0.985 435 A HN 2.081 nan 8.150 nan 0.000 0.518 436 H N 1.673 121.085 119.070 0.571 0.000 3.094 436 H HA 0.195 4.751 4.556 -0.000 0.000 0.335 436 H C 0.530 176.050 175.328 0.319 0.000 1.254 436 H CA -0.443 55.874 56.048 0.449 0.000 1.240 436 H CB 0.898 30.802 29.762 0.237 0.000 1.936 436 H HN 0.801 nan 8.280 nan 0.000 0.536 437 H N 2.872 122.369 119.070 0.712 0.000 2.551 437 H HA 0.071 4.627 4.556 -0.000 0.000 0.266 437 H C 1.583 177.026 175.328 0.191 0.000 0.964 437 H CA 0.520 56.738 56.048 0.283 0.000 1.180 437 H CB 0.545 30.554 29.762 0.412 0.000 1.408 437 H HN 0.477 nan 8.280 nan 0.000 0.563 438 K N 1.878 121.957 120.400 -0.536 0.000 2.049 438 K HA -0.254 4.065 4.320 -0.000 0.000 0.219 438 K C 1.464 177.993 176.600 -0.119 0.000 1.056 438 K CA 2.521 58.491 56.287 -0.528 0.000 0.946 438 K CB -0.060 31.881 32.500 -0.931 0.000 0.723 438 K HN 0.497 nan 8.250 nan 0.000 0.453 439 E N -0.630 119.560 120.200 -0.017 0.000 2.358 439 E HA 0.009 4.359 4.350 -0.000 0.000 0.195 439 E C -0.065 176.615 176.600 0.133 0.000 1.010 439 E CA 0.475 56.953 56.400 0.130 0.000 0.856 439 E CB 0.304 30.156 29.700 0.253 0.000 0.795 439 E HN 0.393 nan 8.360 nan 0.000 0.504 440 A N 1.052 123.933 122.820 0.101 0.000 2.626 440 A HA 0.212 4.532 4.320 -0.000 0.000 0.293 440 A C -2.052 175.582 177.584 0.083 0.000 1.111 440 A CA -0.643 51.437 52.037 0.072 0.000 0.874 440 A CB -0.164 18.849 19.000 0.021 0.000 1.451 440 A HN 0.286 nan 8.150 nan 0.000 0.396 441 W N 4.201 125.433 121.300 -0.113 0.000 2.175 441 W HA 0.476 5.135 4.660 -0.000 0.000 0.350 441 W C 0.076 176.474 176.519 -0.201 0.000 0.877 441 W CA -0.426 56.800 57.345 -0.198 0.000 1.544 441 W CB 1.243 30.586 29.460 -0.195 0.000 1.585 441 W HN 0.464 nan 8.180 nan 0.000 0.347 442 V N 7.354 127.073 119.914 -0.326 0.000 3.650 442 V HA -0.049 4.070 4.120 -0.000 0.000 0.271 442 V C 1.705 177.618 176.094 -0.301 0.000 1.281 442 V CA 0.996 63.126 62.300 -0.283 0.000 1.120 442 V CB -0.297 31.433 31.823 -0.154 0.000 0.856 442 V HN 0.632 nan 8.190 nan 0.000 0.443 443 I N 0.516 120.745 120.570 -0.568 0.000 2.264 443 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 443 I C 2.391 178.215 176.117 -0.487 0.000 1.111 443 I CA 1.743 62.718 61.300 -0.541 0.000 1.382 443 I CB -0.183 37.463 38.000 -0.590 0.000 1.060 443 I HN 0.383 nan 8.210 nan 0.000 0.418 444 A N 0.209 122.528 122.820 -0.834 0.000 1.902 444 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 444 A C 2.094 179.542 177.584 -0.227 0.000 1.181 444 A CA 1.748 53.415 52.037 -0.616 0.000 0.623 444 A CB -1.355 16.828 19.000 -1.362 0.000 0.818 444 A HN 0.793 nan 8.150 nan 0.000 0.443 445 W N 0.599 121.655 121.300 -0.408 0.000 2.436 445 W HA -0.072 4.588 4.660 -0.001 0.000 0.284 445 W C 1.843 178.287 176.519 -0.126 0.000 1.225 445 W CA 1.425 58.637 57.345 -0.221 0.000 1.271 445 W CB 0.009 29.346 29.460 -0.205 0.000 1.114 445 W HN 0.468 nan 8.180 nan 0.000 0.559 446 E N 0.469 120.652 120.200 -0.029 0.000 2.150 446 E HA -0.219 4.130 4.350 -0.000 0.000 0.193 446 E C 2.058 178.612 176.600 -0.077 0.000 0.985 446 E CA 2.042 58.366 56.400 -0.128 0.000 0.814 446 E CB -0.320 29.413 29.700 0.055 0.000 0.752 446 E HN 0.516 nan 8.360 nan 0.000 0.466 447 I N -4.525 115.974 120.570 -0.118 0.000 3.265 447 I HA 0.334 4.504 4.170 -0.000 0.000 0.282 447 I C 1.628 177.738 176.117 -0.010 0.000 1.207 447 I CA 0.796 62.062 61.300 -0.056 0.000 1.449 447 I CB 0.417 38.296 38.000 -0.201 0.000 1.121 447 I HN 0.229 nan 8.210 nan 0.000 0.442 448 G N 2.182 110.955 108.800 -0.046 0.000 2.179 448 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.220 448 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.220 448 G C 0.372 175.295 174.900 0.039 0.000 0.990 448 G CA 0.264 45.343 45.100 -0.034 0.000 0.646 448 G HN 0.702 nan 8.290 nan 0.000 0.517 449 T N -2.243 112.393 114.554 0.136 0.000 2.864 449 T HA 0.970 5.320 4.350 -0.000 0.000 0.289 449 T C -0.330 174.468 174.700 0.163 0.000 1.082 449 T CA 0.237 62.464 62.100 0.212 0.000 1.009 449 T CB 2.373 71.456 68.868 0.359 0.000 1.234 449 T HN 1.889 nan 8.240 nan 0.000 0.526 450 A N 0.637 123.442 122.820 -0.025 0.000 2.515 450 A HA 0.786 5.106 4.320 -0.000 0.000 0.298 450 A C -2.429 174.841 177.584 -0.523 0.000 1.059 450 A CA -1.914 49.843 52.037 -0.467 0.000 0.698 450 A CB 1.180 20.045 19.000 -0.225 0.000 1.289 450 A HN 0.556 nan 8.150 nan 0.000 0.404 451 P HA -0.185 nan 4.420 nan 0.000 0.217 451 P C 1.399 178.753 177.300 0.088 0.000 1.151 451 P CA 1.110 64.046 63.100 -0.273 0.000 0.849 451 P CB 0.099 31.647 31.700 -0.253 0.000 0.787 452 I N -0.737 119.875 120.570 0.070 0.000 2.502 452 I HA -0.187 3.982 4.170 -0.000 0.000 0.258 452 I C 0.932 177.191 176.117 0.236 0.000 1.172 452 I CA 1.091 62.536 61.300 0.242 0.000 1.430 452 I CB -0.697 37.372 38.000 0.115 0.000 1.086 452 I HN 0.001 nan 8.210 nan 0.000 0.440 463 K N 7.424 127.362 120.400 -0.770 0.000 2.413 463 K HA 0.424 4.743 4.320 -0.000 0.000 0.257 463 K C -0.531 175.508 176.600 -0.936 0.000 0.946 463 K CA -0.794 55.124 56.287 -0.616 0.000 0.823 463 K CB 2.710 35.031 32.500 -0.298 0.000 1.109 463 K HN 0.892 nan 8.250 nan 0.000 0.427 464 I N 1.865 122.008 120.570 -0.712 0.000 2.775 464 I HA -0.099 4.071 4.170 -0.000 0.000 0.290 464 I C 0.064 175.996 176.117 -0.308 0.000 1.203 464 I CA 0.984 61.991 61.300 -0.489 0.000 1.433 464 I CB 0.481 38.342 38.000 -0.232 0.000 1.354 464 I HN 0.630 nan 8.210 nan 0.000 0.579 465 S N 5.329 120.852 115.700 -0.295 0.000 2.588 465 S HA 0.506 4.976 4.470 -0.000 0.000 0.275 465 S C -0.707 173.760 174.600 -0.221 0.000 1.130 465 S CA -0.521 57.589 58.200 -0.150 0.000 0.855 465 S CB 1.249 64.368 63.200 -0.135 0.000 1.116 465 S HN 0.562 nan 8.310 nan 0.000 0.472 466 Y N 0.742 121.045 120.300 0.005 0.000 2.719 466 Y HA 0.350 4.899 4.550 -0.001 0.000 0.251 466 Y C 0.602 176.516 175.900 0.023 0.000 1.159 466 Y CA -0.725 57.394 58.100 0.031 0.000 1.166 466 Y CB 0.450 38.931 38.460 0.035 0.000 1.219 466 Y HN 0.658 nan 8.280 nan 0.000 0.551 467 D N 2.020 122.495 120.400 0.124 0.000 2.583 467 D HA -0.081 4.559 4.640 -0.000 0.000 0.232 467 D C -1.691 174.666 176.300 0.094 0.000 1.128 467 D CA -0.483 53.572 54.000 0.091 0.000 0.859 467 D CB 1.537 42.375 40.800 0.064 0.000 1.169 467 D HN 0.123 nan 8.370 nan 0.000 0.481 468 P HA -0.130 nan 4.420 nan 0.000 0.219 468 P C 1.630 178.954 177.300 0.041 0.000 1.146 468 P CA 0.197 63.323 63.100 0.044 0.000 0.808 468 P CB 0.240 31.955 31.700 0.025 0.000 0.779 469 I N -0.003 120.606 120.570 0.064 0.000 2.423 469 I HA -0.228 3.941 4.170 -0.000 0.000 0.254 469 I C 1.635 177.811 176.117 0.099 0.000 1.151 469 I CA 1.735 63.080 61.300 0.076 0.000 1.421 469 I CB -0.678 37.393 38.000 0.118 0.000 1.079 469 I HN 0.038 nan 8.210 nan 0.000 0.431 470 K N 0.288 120.786 120.400 0.165 0.000 2.209 470 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 470 K C 2.033 178.645 176.600 0.021 0.000 1.048 470 K CA 1.319 57.717 56.287 0.185 0.000 0.940 470 K CB -0.069 32.568 32.500 0.228 0.000 0.729 470 K HN 0.328 nan 8.250 nan 0.000 0.451 471 A N 1.057 123.886 122.820 0.016 0.000 1.968 471 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 471 A C 2.126 179.684 177.584 -0.043 0.000 1.169 471 A CA 1.185 53.234 52.037 0.020 0.000 0.638 471 A CB -0.286 18.731 19.000 0.028 0.000 0.812 471 A HN 0.193 nan 8.150 nan 0.000 0.446 472 Q N 0.349 120.094 119.800 -0.091 0.000 2.084 472 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 472 Q C 1.980 177.843 176.000 -0.229 0.000 0.978 472 Q CA 2.313 58.021 55.803 -0.157 0.000 0.844 472 Q CB -0.267 28.396 28.738 -0.125 0.000 0.898 472 Q HN 0.462 nan 8.270 nan 0.000 0.426 473 K N -0.659 119.566 120.400 -0.292 0.000 2.026 473 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 473 K C 1.849 178.226 176.600 -0.372 0.000 1.048 473 K CA 1.601 57.585 56.287 -0.504 0.000 0.929 473 K CB -0.649 31.225 32.500 -1.043 0.000 0.713 473 K HN 0.166 nan 8.250 nan 0.000 0.439 474 V N 0.021 119.794 119.914 -0.235 0.000 2.407 474 V HA -0.217 3.902 4.120 -0.000 0.000 0.248 474 V C 2.257 178.295 176.094 -0.093 0.000 1.055 474 V CA 1.698 63.928 62.300 -0.118 0.000 1.049 474 V CB -0.310 31.501 31.823 -0.019 0.000 0.662 474 V HN 0.146 nan 8.190 nan 0.000 0.455 475 V N -0.222 119.612 119.914 -0.133 0.000 2.358 475 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 475 V C 2.394 178.308 176.094 -0.300 0.000 1.047 475 V CA 2.005 64.153 62.300 -0.254 0.000 1.035 475 V CB -0.598 31.003 31.823 -0.370 0.000 0.658 475 V HN 0.616 nan 8.190 nan 0.000 0.452 476 E N 0.020 120.038 120.200 -0.304 0.000 2.051 476 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 476 E C 2.249 178.710 176.600 -0.232 0.000 0.991 476 E CA 1.302 57.499 56.400 -0.338 0.000 0.799 476 E CB -0.196 29.291 29.700 -0.354 0.000 0.748 476 E HN 0.486 nan 8.360 nan 0.000 0.449 477 L N 0.740 121.862 121.223 -0.168 0.000 2.093 477 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 477 L C 2.555 179.429 176.870 0.008 0.000 1.085 477 L CA 1.117 55.939 54.840 -0.031 0.000 0.755 477 L CB -0.332 41.705 42.059 -0.038 0.000 0.904 477 L HN 0.179 nan 8.230 nan 0.000 0.435 478 Q N -0.276 119.480 119.800 -0.074 0.000 2.124 478 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 478 Q C 2.338 178.267 176.000 -0.119 0.000 0.977 478 Q CA 1.335 57.086 55.803 -0.087 0.000 0.850 478 Q CB -0.037 28.521 28.738 -0.299 0.000 0.901 478 Q HN 0.425 nan 8.270 nan 0.000 0.429 479 R N 0.015 120.404 120.500 -0.185 0.000 2.105 479 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 479 R C 2.143 178.471 176.300 0.047 0.000 1.135 479 R CA 1.124 57.175 56.100 -0.081 0.000 0.967 479 R CB -0.139 30.097 30.300 -0.107 0.000 0.861 479 R HN 0.244 nan 8.270 nan 0.000 0.442 480 L N -0.668 120.581 121.223 0.045 0.000 2.121 480 L HA -0.023 4.316 4.340 -0.000 0.000 0.200 480 L C 2.447 179.480 176.870 0.272 0.000 1.077 480 L CA 1.089 55.972 54.840 0.071 0.000 0.766 480 L CB -0.260 41.781 42.059 -0.030 0.000 0.931 480 L HN 0.044 nan 8.230 nan 0.000 0.452 481 R N -0.075 120.623 120.500 0.330 0.000 2.075 481 R HA -0.009 4.331 4.340 -0.000 0.000 0.226 481 R C 2.136 178.602 176.300 0.275 0.000 1.114 481 R CA 1.191 57.504 56.100 0.356 0.000 0.972 481 R CB -0.514 29.950 30.300 0.273 0.000 0.869 481 R HN 0.353 nan 8.270 nan 0.000 0.437 482 G N -0.863 108.107 108.800 0.284 0.000 2.838 482 G HA2 0.054 4.014 3.960 -0.000 0.000 0.210 482 G HA3 0.054 4.014 3.960 -0.000 0.000 0.210 482 G C 0.843 175.969 174.900 0.377 0.000 1.153 482 G CA 0.480 45.798 45.100 0.364 0.000 0.778 482 G HN 0.409 nan 8.290 nan 0.000 0.539 483 G N 0.523 109.498 108.800 0.292 0.000 2.463 483 G HA2 0.224 4.184 3.960 -0.000 0.000 0.211 483 G HA3 0.224 4.184 3.960 -0.000 0.000 0.211 483 G C 1.369 176.314 174.900 0.075 0.000 1.881 483 G CA 0.494 45.724 45.100 0.216 0.000 0.722 483 G HN 0.179 nan 8.290 nan 0.000 0.709 484 L N 0.326 121.529 121.223 -0.034 0.000 1.976 484 L HA -0.088 4.252 4.340 -0.000 0.000 0.223 484 L C 2.627 179.271 176.870 -0.377 0.000 1.081 484 L CA 2.194 56.867 54.840 -0.279 0.000 0.784 484 L CB -0.810 40.964 42.059 -0.474 0.000 0.896 484 L HN 0.223 nan 8.230 nan 0.000 0.438 485 F N -0.315 119.574 119.950 -0.102 0.000 2.365 485 F HA -0.100 4.427 4.527 -0.001 0.000 0.300 485 F C 2.370 178.149 175.800 -0.034 0.000 1.090 485 F CA 0.973 58.907 58.000 -0.109 0.000 1.408 485 F CB -0.432 38.528 39.000 -0.067 0.000 1.060 485 F HN 0.197 nan 8.300 nan 0.000 0.534 486 E N -0.712 119.578 120.200 0.149 0.000 2.478 486 E HA 0.029 4.378 4.350 -0.000 0.000 0.194 486 E C 1.879 178.541 176.600 0.103 0.000 1.045 486 E CA 0.562 57.045 56.400 0.138 0.000 0.868 486 E CB -0.102 29.690 29.700 0.155 0.000 0.885 486 E HN 0.467 nan 8.360 nan 0.000 0.505 487 M N -0.673 118.951 119.600 0.041 0.000 2.615 487 M HA 0.126 4.606 4.480 -0.000 0.000 0.262 487 M C 1.998 178.299 176.300 -0.000 0.000 1.198 487 M CA 0.213 55.539 55.300 0.044 0.000 1.165 487 M CB 0.258 32.875 32.600 0.030 0.000 1.310 487 M HN -0.006 nan 8.290 nan 0.000 0.494 488 L N -0.347 120.788 121.223 -0.145 0.000 1.989 488 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 488 L C 1.460 178.311 176.870 -0.031 0.000 1.071 488 L CA 1.017 55.695 54.840 -0.270 0.000 0.749 488 L CB -0.676 40.918 42.059 -0.774 0.000 0.890 488 L HN 0.240 nan 8.230 nan 0.000 0.431 489 T N -0.732 113.858 114.554 0.060 0.000 2.797 489 T HA 0.680 5.030 4.350 -0.000 0.000 0.279 489 T C -0.639 174.123 174.700 0.102 0.000 0.991 489 T CA -0.389 61.743 62.100 0.054 0.000 0.979 489 T CB 1.381 70.324 68.868 0.126 0.000 0.943 489 T HN 0.240 nan 8.240 nan 0.000 0.444 490 A N 2.975 125.866 122.820 0.118 0.000 2.479 490 A HA 0.666 4.985 4.320 -0.000 0.000 0.296 490 A C 0.057 177.818 177.584 0.295 0.000 1.121 490 A CA -0.816 51.365 52.037 0.242 0.000 0.743 490 A CB 0.969 20.136 19.000 0.278 0.000 1.323 490 A HN 1.033 nan 8.150 nan 0.000 0.415 491 C N 1.017 120.454 119.300 0.229 0.000 2.648 491 C HA 0.350 4.810 4.460 -0.000 0.000 0.419 491 C C 2.012 176.919 174.990 -0.137 0.000 1.352 491 C CA 0.123 59.195 59.018 0.090 0.000 1.816 491 C CB -0.593 27.210 27.740 0.106 0.000 2.598 491 C HN 0.921 nan 8.230 nan 0.000 0.598 492 R N 4.440 124.688 120.500 -0.419 0.000 2.275 492 R HA 0.061 4.401 4.340 -0.000 0.000 0.199 492 R C 1.312 177.337 176.300 -0.457 0.000 0.989 492 R CA 0.865 56.381 56.100 -0.973 0.000 1.016 492 R CB -0.225 29.609 30.300 -0.777 0.000 0.918 492 R HN 0.781 nan 8.270 nan 0.000 0.473 493 L N 0.776 121.828 121.223 -0.286 0.000 2.083 493 L HA -0.015 4.324 4.340 -0.000 0.000 0.209 493 L C -0.535 176.126 176.870 -0.348 0.000 1.083 493 L CA 1.075 55.715 54.840 -0.332 0.000 0.752 493 L CB -1.404 40.485 42.059 -0.283 0.000 0.899 493 L HN 0.150 nan 8.230 nan 0.000 0.433 494 P HA -0.230 nan 4.420 nan 0.000 0.216 494 P C 1.183 178.484 177.300 0.001 0.000 1.153 494 P CA 1.465 64.517 63.100 -0.080 0.000 0.858 494 P CB -0.090 31.663 31.700 0.087 0.000 0.789 495 W N -0.066 121.172 121.300 -0.103 0.000 2.408 495 W HA -0.113 4.547 4.660 -0.001 0.000 0.311 495 W C 1.826 178.284 176.519 -0.101 0.000 1.190 495 W CA 1.025 58.348 57.345 -0.038 0.000 1.321 495 W CB -1.187 28.277 29.460 0.006 0.000 1.143 495 W HN -0.328 nan 8.180 nan 0.000 0.501 496 V N 1.710 121.179 119.914 -0.741 0.000 2.295 496 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 496 V C 2.482 178.259 176.094 -0.529 0.000 1.049 496 V CA 2.443 64.206 62.300 -0.895 0.000 1.024 496 V CB -0.796 30.620 31.823 -0.679 0.000 0.648 496 V HN 0.163 nan 8.190 nan 0.000 0.447 497 E N 0.322 120.222 120.200 -0.501 0.000 2.042 497 E HA -0.046 4.304 4.350 -0.000 0.000 0.189 497 E C 2.031 178.438 176.600 -0.322 0.000 0.974 497 E CA 1.663 57.773 56.400 -0.483 0.000 0.806 497 E CB -0.332 28.796 29.700 -0.954 0.000 0.769 497 E HN 0.612 nan 8.360 nan 0.000 0.451 498 V N -2.419 117.318 119.914 -0.296 0.000 3.542 498 V HA 0.487 4.606 4.120 -0.000 0.000 0.296 498 V C 1.083 177.167 176.094 -0.017 0.000 1.364 498 V CA 0.483 62.715 62.300 -0.114 0.000 1.118 498 V CB -0.112 31.668 31.823 -0.071 0.000 0.972 498 V HN 0.294 nan 8.190 nan 0.000 0.430 499 G N 0.902 109.687 108.800 -0.026 0.000 2.176 499 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.252 499 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.252 499 G C -0.213 174.814 174.900 0.211 0.000 1.024 499 G CA 0.335 45.488 45.100 0.088 0.000 0.755 499 G HN 0.892 nan 8.290 nan 0.000 0.507 500 L N 1.494 122.862 121.223 0.241 0.000 2.540 500 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 500 L C 1.084 178.227 176.870 0.454 0.000 1.212 500 L CA 0.746 55.775 54.840 0.314 0.000 0.893 500 L CB 0.839 43.070 42.059 0.286 0.000 1.138 500 L HN 0.491 nan 8.230 nan 0.000 0.491 501 S N 4.320 120.283 115.700 0.438 0.000 2.537 501 S HA 0.073 4.543 4.470 -0.000 0.000 0.286 501 S C 1.341 176.204 174.600 0.438 0.000 1.299 501 S CA -0.299 58.113 58.200 0.354 0.000 1.067 501 S CB 0.144 63.448 63.200 0.172 0.000 0.864 501 S HN 0.713 nan 8.310 nan 0.000 0.494 502 L N 3.532 124.933 121.223 0.296 0.000 2.362 502 L HA -0.032 4.308 4.340 -0.000 0.000 0.219 502 L C 1.717 178.925 176.870 0.562 0.000 1.134 502 L CA 0.631 55.695 54.840 0.373 0.000 0.807 502 L CB -0.330 41.668 42.059 -0.102 0.000 0.927 502 L HN 0.623 nan 8.230 nan 0.000 0.447 503 D N -0.647 119.941 120.400 0.313 0.000 2.309 503 D HA -0.189 4.451 4.640 -0.000 0.000 0.212 503 D C 1.873 178.166 176.300 -0.012 0.000 0.968 503 D CA 1.178 55.290 54.000 0.187 0.000 0.882 503 D CB 0.022 40.827 40.800 0.008 0.000 0.918 503 D HN 0.345 nan 8.370 nan 0.000 0.503 504 Y N -0.252 120.062 120.300 0.024 0.000 2.242 504 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 504 Y C 2.015 177.754 175.900 -0.268 0.000 1.137 504 Y CA 0.812 58.794 58.100 -0.196 0.000 1.181 504 Y CB -0.632 37.603 38.460 -0.376 0.000 0.989 504 Y HN 0.066 nan 8.280 nan 0.000 0.527 505 Y N -0.603 119.817 120.300 0.200 0.000 2.097 505 Y HA -0.180 4.370 4.550 -0.001 0.000 0.282 505 Y C -0.335 175.512 175.900 -0.088 0.000 1.152 505 Y CA 1.440 59.593 58.100 0.090 0.000 1.136 505 Y CB -2.142 36.276 38.460 -0.070 0.000 0.975 505 Y HN 0.107 nan 8.280 nan 0.000 0.498 506 P HA -0.127 nan 4.420 nan 0.000 0.217 506 P C 0.996 178.189 177.300 -0.179 0.000 1.150 506 P CA 1.902 64.793 63.100 -0.349 0.000 0.832 506 P CB 0.014 31.310 31.700 -0.673 0.000 0.787 507 K N -0.626 119.689 120.400 -0.143 0.000 2.057 507 K HA -0.059 4.260 4.320 -0.000 0.000 0.206 507 K C 2.059 178.583 176.600 -0.126 0.000 1.050 507 K CA 1.092 57.305 56.287 -0.123 0.000 0.935 507 K CB -0.707 31.724 32.500 -0.115 0.000 0.715 507 K HN 0.154 nan 8.250 nan 0.000 0.439 508 L N 0.638 121.790 121.223 -0.118 0.000 2.056 508 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 508 L C 2.355 179.085 176.870 -0.233 0.000 1.078 508 L CA 0.474 55.164 54.840 -0.249 0.000 0.749 508 L CB -0.297 41.524 42.059 -0.396 0.000 0.901 508 L HN 0.151 nan 8.230 nan 0.000 0.433 509 L N 0.303 121.518 121.223 -0.014 0.000 2.131 509 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 509 L C 2.467 179.275 176.870 -0.104 0.000 1.092 509 L CA 1.790 56.627 54.840 -0.005 0.000 0.759 509 L CB -0.513 41.522 42.059 -0.039 0.000 0.903 509 L HN 0.113 nan 8.230 nan 0.000 0.435 510 K N -0.168 120.176 120.400 -0.093 0.000 2.031 510 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 510 K C 2.007 178.512 176.600 -0.158 0.000 1.049 510 K CA 1.527 57.758 56.287 -0.094 0.000 0.939 510 K CB -0.570 31.877 32.500 -0.089 0.000 0.717 510 K HN 0.288 nan 8.250 nan 0.000 0.438 511 A N 0.582 123.290 122.820 -0.187 0.000 1.972 511 A HA -0.071 4.248 4.320 -0.000 0.000 0.219 511 A C 2.205 179.631 177.584 -0.264 0.000 1.169 511 A CA 1.665 53.570 52.037 -0.220 0.000 0.635 511 A CB -0.604 18.263 19.000 -0.221 0.000 0.810 511 A HN 0.361 nan 8.150 nan 0.000 0.446 512 I N -0.574 119.823 120.570 -0.288 0.000 2.206 512 I HA -0.146 4.024 4.170 -0.000 0.000 0.239 512 I C 2.768 178.706 176.117 -0.300 0.000 1.078 512 I CA 1.769 62.880 61.300 -0.314 0.000 1.367 512 I CB -0.424 37.358 38.000 -0.363 0.000 1.078 512 I HN 0.491 nan 8.210 nan 0.000 0.413 513 T N -2.216 112.139 114.554 -0.332 0.000 3.054 513 T HA 0.220 4.570 4.350 -0.000 0.000 0.259 513 T C 1.652 176.293 174.700 -0.098 0.000 1.092 513 T CA 0.653 62.553 62.100 -0.334 0.000 1.121 513 T CB 0.458 68.907 68.868 -0.697 0.000 0.912 513 T HN 0.557 nan 8.240 nan 0.000 0.489 514 G N 0.625 109.347 108.800 -0.129 0.000 2.199 514 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 514 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 514 G C 0.065 174.949 174.900 -0.027 0.000 0.982 514 G CA 0.044 45.090 45.100 -0.091 0.000 0.632 514 G HN 0.755 nan 8.290 nan 0.000 0.529 515 V N 1.918 121.841 119.914 0.015 0.000 2.407 515 V HA 0.557 4.676 4.120 -0.000 0.000 0.278 515 V C 0.773 176.870 176.094 0.006 0.000 1.037 515 V CA -0.041 62.274 62.300 0.026 0.000 0.900 515 V CB 1.555 33.463 31.823 0.142 0.000 0.983 515 V HN 0.258 nan 8.190 nan 0.000 0.459 516 T N 5.392 119.894 114.554 -0.088 0.000 2.832 516 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 516 T C -0.823 173.770 174.700 -0.179 0.000 0.968 516 T CA 0.318 62.364 62.100 -0.090 0.000 1.107 516 T CB 0.002 68.806 68.868 -0.108 0.000 0.916 516 T HN 0.460 nan 8.240 nan 0.000 0.517 517 Y N 1.955 122.155 120.300 -0.167 0.000 2.331 517 Y HA 0.373 4.923 4.550 -0.001 0.000 0.334 517 Y C 1.146 176.862 175.900 -0.307 0.000 0.960 517 Y CA -1.042 56.935 58.100 -0.205 0.000 1.130 517 Y CB 1.334 39.661 38.460 -0.221 0.000 1.164 517 Y HN 0.701 nan 8.280 nan 0.000 0.458 518 T N -2.516 111.951 114.554 -0.145 0.000 2.788 518 T HA 0.076 4.426 4.350 -0.000 0.000 0.280 518 T C 0.908 175.415 174.700 -0.321 0.000 0.984 518 T CA -0.518 61.450 62.100 -0.219 0.000 0.972 518 T CB 0.696 69.492 68.868 -0.120 0.000 1.039 518 T HN 0.762 nan 8.240 nan 0.000 0.530 519 W N 0.109 121.244 121.300 -0.275 0.000 2.363 519 W HA -0.026 4.634 4.660 -0.001 0.000 0.296 519 W C 2.041 177.988 176.519 -0.953 0.000 1.212 519 W CA 0.692 57.674 57.345 -0.605 0.000 1.260 519 W CB -0.214 28.934 29.460 -0.520 0.000 1.131 519 W HN 0.711 nan 8.180 nan 0.000 0.530 520 D N -0.050 120.184 120.400 -0.276 0.000 2.178 520 D HA -0.165 4.475 4.640 -0.000 0.000 0.201 520 D C 1.526 177.769 176.300 -0.094 0.000 0.980 520 D CA 1.401 55.322 54.000 -0.132 0.000 0.842 520 D CB -0.503 40.304 40.800 0.012 0.000 0.948 520 D HN 0.114 nan 8.370 nan 0.000 0.472 521 D N 0.029 120.368 120.400 -0.102 0.000 2.117 521 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 521 D C 2.328 178.643 176.300 0.024 0.000 0.982 521 D CA 0.410 54.395 54.000 -0.026 0.000 0.828 521 D CB -0.192 40.601 40.800 -0.012 0.000 0.967 521 D HN 0.246 nan 8.370 nan 0.000 0.464 522 L N -0.113 121.066 121.223 -0.073 0.000 2.056 522 L HA -0.176 4.163 4.340 -0.000 0.000 0.207 522 L C 2.441 179.346 176.870 0.059 0.000 1.078 522 L CA 0.801 55.603 54.840 -0.062 0.000 0.749 522 L CB -0.456 41.491 42.059 -0.187 0.000 0.901 522 L HN 0.047 nan 8.230 nan 0.000 0.433 523 Y N 0.286 120.637 120.300 0.084 0.000 2.181 523 Y HA -0.241 4.308 4.550 -0.001 0.000 0.288 523 Y C 2.630 178.535 175.900 0.008 0.000 1.146 523 Y CA 0.845 58.963 58.100 0.030 0.000 1.164 523 Y CB -0.844 37.625 38.460 0.014 0.000 0.982 523 Y HN 0.123 nan 8.280 nan 0.000 0.515 524 K N 0.213 120.705 120.400 0.154 0.000 2.026 524 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 524 K C 2.315 178.953 176.600 0.065 0.000 1.048 524 K CA 1.217 57.552 56.287 0.080 0.000 0.929 524 K CB -0.262 32.262 32.500 0.040 0.000 0.713 524 K HN 0.215 nan 8.250 nan 0.000 0.439 525 A N 0.913 123.772 122.820 0.065 0.000 1.933 525 A HA -0.110 4.209 4.320 -0.000 0.000 0.218 525 A C 2.283 179.927 177.584 0.101 0.000 1.175 525 A CA 1.883 53.951 52.037 0.052 0.000 0.628 525 A CB -0.729 18.311 19.000 0.067 0.000 0.814 525 A HN 0.485 nan 8.150 nan 0.000 0.444 526 A N -0.125 122.771 122.820 0.126 0.000 1.898 526 A HA -0.130 4.189 4.320 -0.000 0.000 0.216 526 A C 1.751 179.467 177.584 0.220 0.000 1.181 526 A CA 1.773 53.917 52.037 0.179 0.000 0.620 526 A CB -0.509 18.576 19.000 0.142 0.000 0.819 526 A HN 0.426 nan 8.150 nan 0.000 0.442 527 D N -0.761 119.716 120.400 0.130 0.000 2.178 527 D HA -0.129 4.510 4.640 -0.000 0.000 0.202 527 D C 2.038 178.454 176.300 0.193 0.000 0.974 527 D CA 1.120 55.192 54.000 0.120 0.000 0.841 527 D CB -0.303 40.517 40.800 0.033 0.000 0.953 527 D HN 0.555 nan 8.370 nan 0.000 0.478 528 R N 0.695 121.282 120.500 0.145 0.000 2.073 528 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 528 R C 1.973 178.398 176.300 0.209 0.000 1.134 528 R CA 1.032 57.208 56.100 0.127 0.000 0.952 528 R CB -0.246 30.075 30.300 0.035 0.000 0.850 528 R HN 0.000 nan 8.270 nan 0.000 0.433 529 V N 0.394 120.460 119.914 0.253 0.000 2.343 529 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 529 V C 1.939 178.141 176.094 0.180 0.000 1.051 529 V CA 1.644 64.087 62.300 0.238 0.000 1.036 529 V CB -0.668 31.294 31.823 0.232 0.000 0.654 529 V HN 0.335 nan 8.190 nan 0.000 0.451 530 Y N 0.616 121.014 120.300 0.163 0.000 2.181 530 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 530 Y C 2.859 178.964 175.900 0.341 0.000 1.146 530 Y CA 1.861 60.111 58.100 0.250 0.000 1.164 530 Y CB -0.447 38.163 38.460 0.250 0.000 0.982 530 Y HN 0.177 nan 8.280 nan 0.000 0.515 531 S N -0.394 115.564 115.700 0.430 0.000 2.387 531 S HA -0.117 4.352 4.470 -0.000 0.000 0.226 531 S C 1.948 176.559 174.600 0.018 0.000 1.026 531 S CA 0.887 59.249 58.200 0.270 0.000 0.972 531 S CB -0.503 62.851 63.200 0.258 0.000 0.814 531 S HN 0.326 nan 8.310 nan 0.000 0.477 532 L N 1.901 123.135 121.223 0.018 0.000 2.093 532 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 532 L C 1.790 178.657 176.870 -0.004 0.000 1.085 532 L CA 1.562 56.353 54.840 -0.082 0.000 0.755 532 L CB -0.504 41.563 42.059 0.014 0.000 0.904 532 L HN 0.274 nan 8.230 nan 0.000 0.435 533 I N -0.882 119.682 120.570 -0.010 0.000 2.252 533 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 533 I C 2.612 178.876 176.117 0.245 0.000 1.102 533 I CA 1.006 62.308 61.300 0.003 0.000 1.385 533 I CB -0.284 37.583 38.000 -0.221 0.000 1.064 533 I HN 0.268 nan 8.210 nan 0.000 0.414 534 R N 1.846 122.394 120.500 0.081 0.000 2.096 534 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 534 R C 2.117 178.290 176.300 -0.212 0.000 1.127 534 R CA 1.896 57.909 56.100 -0.146 0.000 0.968 534 R CB -0.770 29.206 30.300 -0.541 0.000 0.861 534 R HN 0.330 nan 8.270 nan 0.000 0.440 535 A N -0.696 122.045 122.820 -0.132 0.000 1.972 535 A HA -0.168 4.151 4.320 -0.000 0.000 0.219 535 A C 2.150 179.890 177.584 0.260 0.000 1.169 535 A CA 1.390 53.393 52.037 -0.057 0.000 0.635 535 A CB -0.895 18.003 19.000 -0.169 0.000 0.810 535 A HN 0.578 nan 8.150 nan 0.000 0.446 536 Y N -1.297 119.173 120.300 0.284 0.000 2.200 536 Y HA -0.226 4.324 4.550 -0.000 0.000 0.290 536 Y C 2.071 178.063 175.900 0.153 0.000 1.137 536 Y CA 1.815 60.127 58.100 0.352 0.000 1.163 536 Y CB -0.375 38.268 38.460 0.306 0.000 0.988 536 Y HN 0.437 nan 8.280 nan 0.000 0.518 537 W N -0.403 120.916 121.300 0.031 0.000 2.354 537 W HA -0.224 4.436 4.660 -0.000 0.000 0.315 537 W C 2.517 178.786 176.519 -0.415 0.000 1.206 537 W CA 2.327 59.546 57.345 -0.210 0.000 1.290 537 W CB -0.946 28.187 29.460 -0.545 0.000 1.152 537 W HN -0.162 nan 8.180 nan 0.000 0.489 538 V N 0.691 120.366 119.914 -0.399 0.000 2.287 538 V HA -0.336 3.783 4.120 -0.000 0.000 0.248 538 V C 2.525 178.595 176.094 -0.040 0.000 1.053 538 V CA 2.233 64.314 62.300 -0.363 0.000 1.027 538 V CB -0.965 30.578 31.823 -0.466 0.000 0.646 538 V HN 0.198 nan 8.190 nan 0.000 0.447 539 R N 0.053 120.525 120.500 -0.046 0.000 2.081 539 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 539 R C 2.188 178.425 176.300 -0.105 0.000 1.131 539 R CA 1.644 57.703 56.100 -0.068 0.000 0.960 539 R CB -0.236 29.992 30.300 -0.120 0.000 0.856 539 R HN 0.493 nan 8.270 nan 0.000 0.436 540 E N -0.202 119.899 120.200 -0.165 0.000 2.204 540 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 540 E C 1.443 178.100 176.600 0.095 0.000 0.989 540 E CA 0.721 57.037 56.400 -0.140 0.000 0.824 540 E CB -0.162 29.358 29.700 -0.299 0.000 0.756 540 E HN 0.292 nan 8.360 nan 0.000 0.477 541 F N 0.832 120.792 119.950 0.017 0.000 2.773 541 F HA 0.083 4.610 4.527 -0.000 0.000 0.304 541 F C 0.788 176.644 175.800 0.094 0.000 1.129 541 F CA -0.072 58.015 58.000 0.144 0.000 1.378 541 F CB -0.472 38.761 39.000 0.387 0.000 1.095 541 F HN -0.063 nan 8.300 nan 0.000 0.565 542 N N 0.647 119.436 118.700 0.149 0.000 2.740 542 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 542 N C 1.155 176.734 175.510 0.116 0.000 1.062 542 N CA 0.991 54.087 53.050 0.076 0.000 0.704 542 N CB -1.124 37.380 38.487 0.029 0.000 0.968 542 N HN 0.598 nan 8.380 nan 0.000 0.547 543 G N -0.726 108.166 108.800 0.153 0.000 2.245 543 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.264 543 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.264 543 G C 0.150 175.189 174.900 0.232 0.000 0.985 543 G CA 0.728 45.920 45.100 0.152 0.000 0.625 543 G HN 0.722 nan 8.290 nan 0.000 0.536 544 K N 0.502 121.077 120.400 0.292 0.000 2.228 544 K HA 0.397 4.716 4.320 -0.000 0.000 0.284 544 K C -0.693 176.190 176.600 0.471 0.000 1.088 544 K CA -0.645 55.824 56.287 0.302 0.000 0.941 544 K CB -0.034 32.617 32.500 0.252 0.000 1.158 544 K HN 0.323 nan 8.250 nan 0.000 0.438 545 W N 4.396 125.754 121.300 0.098 0.000 3.707 545 W HA 0.127 4.786 4.660 -0.001 0.000 0.294 545 W C -1.827 174.705 176.519 0.021 0.000 1.248 545 W CA -0.668 56.706 57.345 0.049 0.000 1.217 545 W CB 1.529 30.991 29.460 0.003 0.000 1.306 545 W HN 0.760 nan 8.180 nan 0.000 0.532 546 D N 2.009 122.246 120.400 -0.271 0.000 2.677 546 D HA 0.258 4.898 4.640 -0.000 0.000 0.298 546 D C 1.041 177.248 176.300 -0.154 0.000 1.250 546 D CA -0.542 53.401 54.000 -0.095 0.000 0.888 546 D CB 0.559 41.339 40.800 -0.033 0.000 1.397 546 D HN 0.411 nan 8.370 nan 0.000 0.461 547 R N -0.023 120.516 120.500 0.065 0.000 2.159 547 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 547 R C 0.827 177.256 176.300 0.213 0.000 1.131 547 R CA 0.711 56.971 56.100 0.268 0.000 0.982 547 R CB -0.453 30.101 30.300 0.422 0.000 0.868 547 R HN 0.184 nan 8.270 nan 0.000 0.453 548 K N 0.424 120.788 120.400 -0.061 0.000 2.362 548 K HA -0.002 4.317 4.320 -0.000 0.000 0.200 548 K C 1.881 178.430 176.600 -0.084 0.000 1.046 548 K CA 0.713 56.877 56.287 -0.205 0.000 0.952 548 K CB -0.100 32.189 32.500 -0.351 0.000 0.753 548 K HN 0.304 nan 8.250 nan 0.000 0.466 549 M N 0.885 120.337 119.600 -0.245 0.000 2.296 549 M HA -0.103 4.377 4.480 -0.000 0.000 0.265 549 M C 0.418 176.642 176.300 -0.128 0.000 1.064 549 M CA 1.277 56.321 55.300 -0.426 0.000 1.109 549 M CB -0.456 31.389 32.600 -1.258 0.000 1.396 549 M HN -0.015 nan 8.290 nan 0.000 0.430 550 D N -0.967 119.502 120.400 0.114 0.000 2.395 550 D HA 0.083 4.723 4.640 -0.000 0.000 0.226 550 D C -0.452 176.053 176.300 0.342 0.000 1.146 550 D CA 0.085 54.231 54.000 0.244 0.000 0.830 550 D CB -0.006 41.002 40.800 0.347 0.000 0.958 550 D HN 0.149 nan 8.370 nan 0.000 0.501 551 Y N 1.100 121.467 120.300 0.112 0.000 2.320 551 Y HA 0.286 4.836 4.550 -0.000 0.000 0.324 551 Y C -1.799 174.090 175.900 -0.018 0.000 1.190 551 Y CA -2.335 55.824 58.100 0.098 0.000 1.215 551 Y CB 0.824 39.313 38.460 0.049 0.000 1.221 551 Y HN -0.104 nan 8.280 nan 0.000 0.486 552 P HA 0.217 nan 4.420 nan 0.000 0.277 552 P C -2.670 174.494 177.300 -0.226 0.000 1.271 552 P CA -1.509 61.515 63.100 -0.127 0.000 0.795 552 P CB 0.094 31.750 31.700 -0.073 0.000 1.101 553 P HA 0.043 nan 4.420 nan 0.000 0.269 553 P C 0.321 177.398 177.300 -0.372 0.000 1.209 553 P CA 0.100 62.817 63.100 -0.638 0.000 0.776 553 P CB 0.328 31.406 31.700 -1.037 0.000 0.876 554 K N 2.061 122.346 120.400 -0.192 0.000 2.152 554 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 554 K C 1.929 178.553 176.600 0.039 0.000 1.048 554 K CA 1.427 57.745 56.287 0.052 0.000 0.933 554 K CB -0.488 31.983 32.500 -0.049 0.000 0.721 554 K HN 0.333 nan 8.250 nan 0.000 0.447 555 R N -0.005 120.402 120.500 -0.154 0.000 2.139 555 R HA -0.159 4.181 4.340 -0.000 0.000 0.243 555 R C 1.044 177.422 176.300 0.129 0.000 1.145 555 R CA 1.476 57.556 56.100 -0.034 0.000 0.976 555 R CB -0.193 30.045 30.300 -0.103 0.000 0.866 555 R HN 0.285 nan 8.270 nan 0.000 0.449 556 W N -0.422 120.750 121.300 -0.213 0.000 2.825 556 W HA 0.024 4.683 4.660 -0.000 0.000 0.243 556 W C 1.055 177.441 176.519 -0.222 0.000 1.293 556 W CA 0.241 57.396 57.345 -0.317 0.000 1.403 556 W CB -0.380 28.727 29.460 -0.589 0.000 1.134 556 W HN 0.153 nan 8.180 nan 0.000 0.666 557 F N -0.371 119.724 119.950 0.242 0.000 2.514 557 F HA -0.033 4.493 4.527 -0.001 0.000 0.281 557 F C 2.583 178.315 175.800 -0.113 0.000 1.060 557 F CA 1.749 59.828 58.000 0.132 0.000 1.397 557 F CB -1.032 38.033 39.000 0.108 0.000 1.129 557 F HN -0.245 nan 8.300 nan 0.000 0.620 558 T N -2.252 112.388 114.554 0.144 0.000 3.043 558 T HA 0.115 4.465 4.350 -0.000 0.000 0.263 558 T C 0.514 175.195 174.700 -0.032 0.000 1.094 558 T CA 0.442 62.553 62.100 0.019 0.000 1.127 558 T CB -0.252 68.662 68.868 0.078 0.000 0.905 558 T HN 0.172 nan 8.240 nan 0.000 0.490 559 E N -0.111 120.135 120.200 0.078 0.000 2.393 559 E HA 0.668 5.018 4.350 -0.000 0.000 0.265 559 E C -0.385 176.288 176.600 0.121 0.000 0.941 559 E CA -1.482 54.979 56.400 0.101 0.000 0.801 559 E CB 1.965 31.780 29.700 0.192 0.000 1.313 559 E HN 0.303 nan 8.360 nan 0.000 0.435 560 G N 0.026 108.767 108.800 -0.098 0.000 3.015 560 G HA2 0.528 4.488 3.960 -0.000 0.000 0.281 560 G HA3 0.528 4.488 3.960 -0.000 0.000 0.281 560 G C -0.807 173.610 174.900 -0.804 0.000 1.386 560 G CA -0.990 43.915 45.100 -0.326 0.000 0.959 560 G HN 0.299 nan 8.290 nan 0.000 0.522 561 L N 0.688 121.492 121.223 -0.697 0.000 2.483 561 L HA 0.126 4.466 4.340 -0.000 0.000 0.276 561 L C 1.321 178.037 176.870 -0.256 0.000 1.213 561 L CA -0.191 54.364 54.840 -0.476 0.000 0.843 561 L CB 0.756 42.670 42.059 -0.241 0.000 1.107 561 L HN 0.488 nan 8.230 nan 0.000 0.487 562 K N 0.903 121.218 120.400 -0.143 0.000 2.367 562 K HA 0.224 4.544 4.320 -0.000 0.000 0.194 562 K C 0.021 176.587 176.600 -0.057 0.000 1.027 562 K CA 0.148 56.390 56.287 -0.075 0.000 1.075 562 K CB 0.770 33.257 32.500 -0.021 0.000 0.845 562 K HN 0.498 nan 8.250 nan 0.000 0.529 563 S N -0.953 114.705 115.700 -0.071 0.000 2.697 563 S HA 0.666 5.136 4.470 -0.000 0.000 0.289 563 S C -0.164 174.281 174.600 -0.260 0.000 1.149 563 S CA -0.139 57.997 58.200 -0.106 0.000 0.850 563 S CB 2.012 65.202 63.200 -0.016 0.000 1.151 563 S HN 0.449 nan 8.310 nan 0.000 0.491 564 G N 2.109 110.742 108.800 -0.279 0.000 2.806 564 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.236 564 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.236 564 G C -1.937 172.725 174.900 -0.397 0.000 1.387 564 G CA -0.078 44.789 45.100 -0.388 0.000 0.884 564 G HN 0.513 nan 8.290 nan 0.000 0.560 565 P HA -0.104 nan 4.420 nan 0.000 0.221 565 P C 0.775 177.758 177.300 -0.529 0.000 1.145 565 P CA 1.679 64.532 63.100 -0.412 0.000 0.795 565 P CB -0.058 31.409 31.700 -0.389 0.000 0.775 566 H N -0.940 117.892 119.070 -0.395 0.000 2.505 566 H HA 0.187 4.743 4.556 -0.001 0.000 0.289 566 H C 0.836 175.994 175.328 -0.283 0.000 1.052 566 H CA -0.393 55.470 56.048 -0.309 0.000 1.156 566 H CB 0.160 29.730 29.762 -0.320 0.000 1.507 566 H HN 0.227 nan 8.280 nan 0.000 0.548 567 K N 0.570 120.843 120.400 -0.211 0.000 2.524 567 K HA 0.011 4.331 4.320 -0.000 0.000 0.279 567 K C 1.059 177.588 176.600 -0.117 0.000 0.993 567 K CA 1.170 57.356 56.287 -0.169 0.000 1.030 567 K CB 0.227 32.635 32.500 -0.153 0.000 0.891 567 K HN 0.490 nan 8.250 nan 0.000 0.488 568 G N 2.773 111.509 108.800 -0.107 0.000 2.253 568 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 568 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 568 G C -0.247 174.648 174.900 -0.009 0.000 0.998 568 G CA 0.343 45.415 45.100 -0.046 0.000 0.621 568 G HN 0.697 nan 8.290 nan 0.000 0.524 569 E N 0.911 121.068 120.200 -0.073 0.000 2.373 569 E HA 0.537 4.887 4.350 -0.000 0.000 0.267 569 E C 0.519 177.093 176.600 -0.043 0.000 1.032 569 E CA 0.371 56.703 56.400 -0.114 0.000 0.889 569 E CB 0.459 30.113 29.700 -0.076 0.000 0.984 569 E HN 0.860 nan 8.360 nan 0.000 0.425 570 H N -0.286 118.819 119.070 0.059 0.000 2.950 570 H HA 0.455 5.010 4.556 -0.000 0.000 0.272 570 H C -1.156 174.261 175.328 0.148 0.000 1.495 570 H CA -0.976 55.158 56.048 0.145 0.000 1.183 570 H CB 0.226 30.117 29.762 0.214 0.000 1.867 570 H HN 0.253 nan 8.280 nan 0.000 0.597 571 L N 0.401 121.837 121.223 0.356 0.000 2.399 571 L HA 0.319 4.659 4.340 -0.000 0.000 0.266 571 L C -0.320 176.939 176.870 0.649 0.000 1.114 571 L CA -0.454 54.596 54.840 0.350 0.000 0.804 571 L CB 0.782 42.822 42.059 -0.032 0.000 1.146 571 L HN 0.696 nan 8.230 nan 0.000 0.451 572 D N 0.138 120.894 120.400 0.594 0.000 2.233 572 D HA 0.099 4.739 4.640 -0.000 0.000 0.240 572 D C 0.662 177.229 176.300 0.446 0.000 1.074 572 D CA -0.336 53.916 54.000 0.421 0.000 0.838 572 D CB 1.525 42.384 40.800 0.099 0.000 1.124 572 D HN 0.558 nan 8.370 nan 0.000 0.475 573 E N 2.764 123.134 120.200 0.283 0.000 2.031 573 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 573 E C 1.237 177.899 176.600 0.104 0.000 0.994 573 E CA 1.283 57.686 56.400 0.005 0.000 0.800 573 E CB 0.260 29.831 29.700 -0.215 0.000 0.752 573 E HN 0.473 nan 8.360 nan 0.000 0.447 574 K N 0.463 120.894 120.400 0.053 0.000 2.032 574 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 574 K C 2.233 178.820 176.600 -0.023 0.000 1.048 574 K CA 1.634 57.935 56.287 0.024 0.000 0.927 574 K CB -0.122 32.377 32.500 -0.001 0.000 0.712 574 K HN 0.030 nan 8.250 nan 0.000 0.441 575 K N -0.111 120.205 120.400 -0.140 0.000 2.155 575 K HA -0.151 4.169 4.320 -0.000 0.000 0.203 575 K C 2.126 178.625 176.600 -0.169 0.000 1.052 575 K CA 1.166 57.238 56.287 -0.359 0.000 0.948 575 K CB -0.154 31.721 32.500 -1.041 0.000 0.728 575 K HN 0.174 nan 8.250 nan 0.000 0.448 576 Y N 1.978 122.260 120.300 -0.029 0.000 2.242 576 Y HA -0.218 4.332 4.550 -0.000 0.000 0.291 576 Y C 1.838 177.742 175.900 0.008 0.000 1.137 576 Y CA 1.637 59.832 58.100 0.158 0.000 1.181 576 Y CB -0.191 38.441 38.460 0.286 0.000 0.989 576 Y HN 0.074 nan 8.280 nan 0.000 0.527 577 D N -0.222 120.212 120.400 0.055 0.000 2.144 577 D HA -0.186 4.454 4.640 -0.000 0.000 0.199 577 D C 1.791 178.060 176.300 -0.051 0.000 0.984 577 D CA 1.776 55.802 54.000 0.044 0.000 0.834 577 D CB 0.005 40.925 40.800 0.200 0.000 0.955 577 D HN 0.581 nan 8.370 nan 0.000 0.465 578 E N -0.680 119.489 120.200 -0.051 0.000 2.107 578 E HA -0.102 4.247 4.350 -0.000 0.000 0.191 578 E C 1.912 178.464 176.600 -0.081 0.000 0.982 578 E CA 0.250 56.626 56.400 -0.040 0.000 0.809 578 E CB -0.009 29.676 29.700 -0.025 0.000 0.756 578 E HN 0.239 nan 8.360 nan 0.000 0.459 579 L N 1.041 122.185 121.223 -0.131 0.000 2.093 579 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 579 L C 2.108 178.816 176.870 -0.269 0.000 1.085 579 L CA 1.226 55.978 54.840 -0.147 0.000 0.755 579 L CB -0.390 41.606 42.059 -0.106 0.000 0.904 579 L HN 0.132 nan 8.230 nan 0.000 0.435 580 L N -1.136 119.804 121.223 -0.471 0.000 2.046 580 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 580 L C 2.452 179.050 176.870 -0.453 0.000 1.077 580 L CA 1.944 56.455 54.840 -0.548 0.000 0.747 580 L CB -0.828 40.886 42.059 -0.575 0.000 0.896 580 L HN 0.260 nan 8.230 nan 0.000 0.432 581 S N -0.659 114.925 115.700 -0.194 0.000 2.399 581 S HA -0.196 4.274 4.470 -0.000 0.000 0.231 581 S C 1.822 176.430 174.600 0.013 0.000 1.022 581 S CA 1.243 59.446 58.200 0.004 0.000 0.983 581 S CB -0.265 62.981 63.200 0.076 0.000 0.803 581 S HN 0.550 nan 8.310 nan 0.000 0.480 582 E N 0.777 120.954 120.200 -0.037 0.000 2.072 582 E HA -0.147 4.202 4.350 -0.000 0.000 0.191 582 E C 1.693 178.271 176.600 -0.035 0.000 0.985 582 E CA 1.154 57.541 56.400 -0.022 0.000 0.801 582 E CB -0.482 29.204 29.700 -0.023 0.000 0.750 582 E HN 0.632 nan 8.360 nan 0.000 0.452 583 Y N -0.364 119.809 120.300 -0.212 0.000 2.128 583 Y HA -0.293 4.256 4.550 -0.000 0.000 0.284 583 Y C 1.639 177.444 175.900 -0.159 0.000 1.154 583 Y CA 2.078 60.033 58.100 -0.242 0.000 1.149 583 Y CB -0.383 37.879 38.460 -0.331 0.000 0.976 583 Y HN 0.112 nan 8.280 nan 0.000 0.505 584 Y N 0.004 120.332 120.300 0.046 0.000 2.242 584 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 584 Y C 2.716 178.571 175.900 -0.075 0.000 1.137 584 Y CA 1.103 59.213 58.100 0.017 0.000 1.181 584 Y CB -0.848 37.752 38.460 0.234 0.000 0.989 584 Y HN 0.085 nan 8.280 nan 0.000 0.527 585 R N 0.645 121.206 120.500 0.102 0.000 2.073 585 R HA -0.155 4.184 4.340 -0.000 0.000 0.234 585 R C 2.132 178.390 176.300 -0.070 0.000 1.134 585 R CA 1.628 57.746 56.100 0.030 0.000 0.952 585 R CB -0.698 29.614 30.300 0.020 0.000 0.850 585 R HN 0.369 nan 8.270 nan 0.000 0.433 586 I N 0.110 120.581 120.570 -0.164 0.000 2.252 586 I HA -0.235 3.934 4.170 -0.000 0.000 0.245 586 I C 2.418 178.340 176.117 -0.326 0.000 1.102 586 I CA 1.180 62.336 61.300 -0.239 0.000 1.385 586 I CB -0.217 37.605 38.000 -0.297 0.000 1.064 586 I HN 0.065 nan 8.210 nan 0.000 0.414 587 R N 0.801 120.997 120.500 -0.506 0.000 2.236 587 R HA 0.055 4.395 4.340 -0.000 0.000 0.208 587 R C 1.185 177.283 176.300 -0.337 0.000 1.036 587 R CA 0.781 56.480 56.100 -0.670 0.000 1.001 587 R CB -0.041 29.372 30.300 -1.479 0.000 0.896 587 R HN 0.519 nan 8.270 nan 0.000 0.464 588 G N 0.812 109.544 108.800 -0.114 0.000 2.182 588 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.248 588 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.248 588 G C -0.603 174.482 174.900 0.308 0.000 1.042 588 G CA -0.076 45.071 45.100 0.079 0.000 0.775 588 G HN 0.144 nan 8.290 nan 0.000 0.501 589 W N 0.646 121.951 121.300 0.009 0.000 2.578 589 W HA 0.598 5.258 4.660 -0.000 0.000 0.353 589 W C 0.658 177.136 176.519 -0.070 0.000 1.088 589 W CA -1.081 56.237 57.345 -0.045 0.000 1.235 589 W CB 0.711 30.130 29.460 -0.069 0.000 1.362 589 W HN 0.363 nan 8.180 nan 0.000 0.592 590 D N -0.286 120.162 120.400 0.080 0.000 2.414 590 D HA 0.033 4.673 4.640 -0.000 0.000 0.259 590 D C 0.562 176.835 176.300 -0.045 0.000 1.269 590 D CA -0.175 53.843 54.000 0.031 0.000 1.028 590 D CB 0.549 41.356 40.800 0.012 0.000 1.093 590 D HN 0.218 nan 8.370 nan 0.000 0.545 591 E N -1.629 118.603 120.200 0.052 0.000 2.516 591 E HA 0.006 4.356 4.350 -0.000 0.000 0.199 591 E C 0.989 177.644 176.600 0.091 0.000 1.069 591 E CA 0.437 56.919 56.400 0.137 0.000 0.876 591 E CB -0.057 29.739 29.700 0.159 0.000 0.843 591 E HN 0.360 nan 8.360 nan 0.000 0.530 592 R N -1.805 118.679 120.500 -0.027 0.000 2.437 592 R HA 0.226 4.566 4.340 -0.000 0.000 0.257 592 R C 0.791 177.098 176.300 0.012 0.000 0.927 592 R CA 0.490 56.616 56.100 0.043 0.000 1.078 592 R CB 0.819 31.172 30.300 0.090 0.000 1.161 592 R HN 0.138 nan 8.270 nan 0.000 0.529 593 G N 1.804 110.338 108.800 -0.443 0.000 2.160 593 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 593 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 593 G C -0.010 174.719 174.900 -0.284 0.000 1.022 593 G CA -0.076 44.771 45.100 -0.421 0.000 0.741 593 G HN 0.220 nan 8.290 nan 0.000 0.508 594 I N 0.670 121.047 120.570 -0.321 0.000 2.404 594 I HA 0.340 4.510 4.170 -0.000 0.000 0.293 594 I C -2.148 173.685 176.117 -0.475 0.000 0.992 594 I CA -2.793 58.233 61.300 -0.457 0.000 1.149 594 I CB 2.139 40.002 38.000 -0.228 0.000 1.315 594 I HN -0.178 nan 8.210 nan 0.000 0.446 595 P HA 0.054 nan 4.420 nan 0.000 0.265 595 P C -0.885 176.345 177.300 -0.116 0.000 1.193 595 P CA -0.073 62.805 63.100 -0.370 0.000 0.765 595 P CB 0.428 31.922 31.700 -0.343 0.000 0.823 596 K N 2.372 122.784 120.400 0.021 0.000 2.126 596 K HA 0.142 4.462 4.320 -0.000 0.000 0.257 596 K C 1.396 177.992 176.600 -0.007 0.000 1.007 596 K CA -0.383 55.912 56.287 0.013 0.000 0.928 596 K CB 0.592 33.122 32.500 0.050 0.000 1.013 596 K HN 0.295 nan 8.250 nan 0.000 0.473 597 K N 1.519 121.911 120.400 -0.014 0.000 2.063 597 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 597 K C 1.531 178.122 176.600 -0.016 0.000 1.048 597 K CA 1.884 58.158 56.287 -0.022 0.000 0.928 597 K CB 0.039 32.532 32.500 -0.013 0.000 0.713 597 K HN 0.452 nan 8.250 nan 0.000 0.442 598 E N -0.196 120.004 120.200 0.000 0.000 2.150 598 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 598 E C 1.916 178.520 176.600 0.006 0.000 0.985 598 E CA 1.371 57.773 56.400 0.003 0.000 0.814 598 E CB -0.293 29.413 29.700 0.010 0.000 0.752 598 E HN 0.192 nan 8.360 nan 0.000 0.466 599 T N 1.159 115.726 114.554 0.023 0.000 2.737 599 T HA -0.077 4.273 4.350 -0.000 0.000 0.265 599 T C 1.863 176.571 174.700 0.013 0.000 1.038 599 T CA 0.896 63.022 62.100 0.044 0.000 1.144 599 T CB -0.299 68.640 68.868 0.119 0.000 0.866 599 T HN 0.061 nan 8.240 nan 0.000 0.434 600 L N 0.488 121.697 121.223 -0.022 0.000 2.042 600 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 600 L C 2.685 179.498 176.870 -0.094 0.000 1.076 600 L CA 1.509 56.295 54.840 -0.090 0.000 0.749 600 L CB -0.499 41.474 42.059 -0.142 0.000 0.893 600 L HN 0.236 nan 8.230 nan 0.000 0.432 601 K N -0.295 120.069 120.400 -0.060 0.000 2.057 601 K HA -0.226 4.094 4.320 -0.000 0.000 0.207 601 K C 2.077 178.657 176.600 -0.034 0.000 1.049 601 K CA 1.385 57.645 56.287 -0.046 0.000 0.931 601 K CB -0.091 32.394 32.500 -0.025 0.000 0.714 601 K HN 0.084 nan 8.250 nan 0.000 0.440 602 E N 1.356 121.543 120.200 -0.023 0.000 2.110 602 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 602 E C 1.333 177.921 176.600 -0.021 0.000 0.988 602 E CA 1.207 57.598 56.400 -0.015 0.000 0.804 602 E CB -0.082 29.616 29.700 -0.004 0.000 0.745 602 E HN 0.231 nan 8.360 nan 0.000 0.458 603 L N 0.624 121.831 121.223 -0.026 0.000 2.627 603 L HA 0.097 4.436 4.340 -0.000 0.000 0.232 603 L C -0.174 176.662 176.870 -0.057 0.000 1.150 603 L CA 0.232 55.054 54.840 -0.031 0.000 0.917 603 L CB -0.229 41.827 42.059 -0.006 0.000 1.104 603 L HN 0.062 nan 8.230 nan 0.000 0.445 604 D N 0.556 120.923 120.400 -0.056 0.000 2.800 604 D HA -0.188 4.452 4.640 -0.000 0.000 0.232 604 D C 0.343 176.605 176.300 -0.063 0.000 1.137 604 D CA 0.728 54.705 54.000 -0.038 0.000 0.718 604 D CB -1.218 39.563 40.800 -0.032 0.000 1.084 604 D HN 0.369 nan 8.370 nan 0.000 0.432 605 L N -0.156 120.939 121.223 -0.213 0.000 3.154 605 L HA 0.152 4.492 4.340 -0.000 0.000 0.266 605 L C 1.283 177.775 176.870 -0.630 0.000 1.300 605 L CA -0.414 54.064 54.840 -0.603 0.000 1.028 605 L CB 0.430 42.172 42.059 -0.529 0.000 1.412 605 L HN -0.213 nan 8.230 nan 0.000 0.564 606 D N 1.168 121.400 120.400 -0.280 0.000 2.133 606 D HA -0.271 4.369 4.640 -0.000 0.000 0.195 606 D C 1.903 178.141 176.300 -0.103 0.000 0.997 606 D CA 1.862 55.785 54.000 -0.129 0.000 0.840 606 D CB -0.095 40.710 40.800 0.009 0.000 0.947 606 D HN 0.529 nan 8.370 nan 0.000 0.452 607 F N -0.430 119.543 119.950 0.039 0.000 2.373 607 F HA -0.084 4.442 4.527 -0.000 0.000 0.300 607 F C 1.752 177.625 175.800 0.121 0.000 1.080 607 F CA 0.380 58.437 58.000 0.094 0.000 1.417 607 F CB -0.927 38.156 39.000 0.140 0.000 1.070 607 F HN -0.126 nan 8.300 nan 0.000 0.546 608 V N 1.269 120.929 119.914 -0.423 0.000 2.591 608 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 608 V C 2.523 178.619 176.094 0.004 0.000 1.053 608 V CA 1.320 63.454 62.300 -0.276 0.000 1.068 608 V CB -0.486 30.894 31.823 -0.739 0.000 0.689 608 V HN 0.429 nan 8.190 nan 0.000 0.462 609 I N 0.552 121.094 120.570 -0.048 0.000 2.118 609 I HA -0.215 3.955 4.170 -0.000 0.000 0.241 609 I C -0.082 176.072 176.117 0.061 0.000 1.070 609 I CA 1.957 63.257 61.300 -0.000 0.000 1.327 609 I CB -1.767 36.222 38.000 -0.017 0.000 1.034 609 I HN 0.355 nan 8.210 nan 0.000 0.405 610 P HA -0.171 nan 4.420 nan 0.000 0.215 610 P C 1.330 178.694 177.300 0.107 0.000 1.153 610 P CA 1.475 64.633 63.100 0.097 0.000 0.853 610 P CB -0.068 31.701 31.700 0.115 0.000 0.788 611 E N -0.620 119.685 120.200 0.176 0.000 2.072 611 E HA -0.102 4.247 4.350 -0.000 0.000 0.191 611 E C 2.065 178.737 176.600 0.119 0.000 0.985 611 E CA 0.890 57.385 56.400 0.158 0.000 0.801 611 E CB -0.596 29.263 29.700 0.266 0.000 0.750 611 E HN 0.288 nan 8.360 nan 0.000 0.452 612 L N 0.925 122.232 121.223 0.140 0.000 2.109 612 L HA -0.144 4.195 4.340 -0.000 0.000 0.207 612 L C 2.227 179.121 176.870 0.039 0.000 1.086 612 L CA 1.016 55.901 54.840 0.074 0.000 0.760 612 L CB -0.309 41.772 42.059 0.037 0.000 0.910 612 L HN 0.107 nan 8.230 nan 0.000 0.437 613 E N 0.263 120.487 120.200 0.040 0.000 2.204 613 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 613 E C 1.951 178.567 176.600 0.026 0.000 0.990 613 E CA 0.863 57.280 56.400 0.028 0.000 0.821 613 E CB 0.064 29.782 29.700 0.029 0.000 0.750 613 E HN 0.437 nan 8.360 nan 0.000 0.477 614 K N 0.314 120.730 120.400 0.028 0.000 2.288 614 K HA -0.075 4.244 4.320 -0.000 0.000 0.201 614 K C 2.036 178.645 176.600 0.014 0.000 1.048 614 K CA 1.158 57.455 56.287 0.017 0.000 0.956 614 K CB 0.311 32.816 32.500 0.009 0.000 0.746 614 K HN 0.132 nan 8.250 nan 0.000 0.461 615 V N -2.855 117.070 119.914 0.020 0.000 3.523 615 V HA 0.140 4.259 4.120 -0.000 0.000 0.255 615 V C 0.553 176.669 176.094 0.036 0.000 1.226 615 V CA 0.364 62.679 62.300 0.025 0.000 1.092 615 V CB 0.255 32.094 31.823 0.027 0.000 0.817 615 V HN 0.201 nan 8.190 nan 0.000 0.458 616 T N -0.791 113.782 114.554 0.031 0.000 2.661 616 T HA 0.364 4.713 4.350 -0.000 0.000 0.305 616 T C -1.182 173.532 174.700 0.024 0.000 1.441 616 T CA -0.358 61.763 62.100 0.034 0.000 0.999 616 T CB 1.316 70.210 68.868 0.043 0.000 1.650 616 T HN 0.576 nan 8.240 nan 0.000 0.489 617 N N 0.659 119.373 118.700 0.023 0.000 2.456 617 N HA 0.468 5.208 4.740 -0.000 0.000 0.288 617 N C -0.815 174.701 175.510 0.010 0.000 1.059 617 N CA -0.719 52.341 53.050 0.017 0.000 0.946 617 N CB 1.589 40.088 38.487 0.020 0.000 1.150 617 N HN 0.652 nan 8.380 nan 0.000 0.479 618 L N 0.514 121.739 121.223 0.003 0.000 2.358 618 L HA 0.453 4.793 4.340 -0.000 0.000 0.268 618 L C 0.773 177.644 176.870 0.000 0.000 1.032 618 L CA -0.816 54.019 54.840 -0.008 0.000 0.805 618 L CB 1.285 43.334 42.059 -0.017 0.000 1.253 618 L HN 0.528 nan 8.230 nan 0.000 0.452 619 E N 0.000 120.199 120.200 -0.001 0.000 2.725 619 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 619 E CA 0.000 56.406 56.400 0.010 0.000 0.976 619 E CB 0.000 29.711 29.700 0.019 0.000 0.812 619 E HN 0.000 nan 8.360 nan 0.000 0.440