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 1n1v_1_A DATA FIRST_RESID 1 DATA SEQUENCE AASLAPGSSR VELFKRKNST VPFEESNGTI RERVVHSFRI PTIVNVDGVM DATA SEQUENCE VAIADARYET SFDNSFIETA VKYSVDDGAT WNTQIAIKNS RASSVSRVMD DATA SEQUENCE ATVIVKGNKL YILVGSFNKT RNSWTQHRDG SDWEPLLVVG EVTKSAANGK DATA SEQUENCE TTATISWGKP VSLKPLFPAE FDGILTKEFV GGVGAAIVAS NGNLVYPVQI DATA SEQUENCE ADMGGRVFTK IMYSEDDGNT WKFAEGRSKF GCSEPAVLEW EGKLIINNRV DATA SEQUENCE DGNRRLVYES SDMGKTWVEA LGTLSHVWTN SPTSNQQDCQ SSFVAVTIEG DATA SEQUENCE KRVMLFTHPL NLKGRWMRDR LHLWMTDNQR IFDVGQISIG DENSGYSSVL DATA SEQUENCE YKDDKLYSLH EINTNDVYSL VFVRLIGELQ LMKSVVRTWK EEDNHLASIc DATA SEQUENCE TPVVPAXXXX XXGcGAAVPT AGLVGFLSHS ANGSVWEDVY RCVDANVANA DATA SEQUENCE ERVPNGLKFN GVGGGAVWPV ARQGQTRRYQ FANYRFTLVA TVTIDELPKG DATA SEQUENCE TSPLLGAGLE GPGDAKLLGL SYDKNRQWRP LYGAAPASPT GSWELHKKYH DATA SEQUENCE VVLTMADRQG SVYVDGQPLA GSGNTVVRGA TLPDISHFYI GGPRSKGAPT DATA SEQUENCE DSRVTVTNVV LYNRRLNSSE IRTLFLSQDM IGTD 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.530 177.584 -0.090 0.000 1.274 1 A CA 0.000 52.004 52.037 -0.054 0.000 0.836 1 A CB 0.000 18.965 19.000 -0.059 0.000 0.831 2 A N 0.943 123.730 122.820 -0.055 0.000 2.327 2 A HA 0.656 5.007 4.320 0.052 0.000 0.228 2 A C 0.757 178.297 177.584 -0.072 0.000 1.275 2 A CA 0.974 52.982 52.037 -0.049 0.000 0.875 2 A CB -0.257 18.741 19.000 -0.003 0.000 0.925 2 A HN 1.836 nan 8.150 nan 0.000 0.493 3 S N -1.495 114.149 115.700 -0.093 0.000 2.567 3 S HA 0.427 4.928 4.470 0.052 0.000 0.270 3 S C -1.113 173.435 174.600 -0.087 0.000 1.152 3 S CA -0.750 57.401 58.200 -0.083 0.000 0.835 3 S CB 0.598 63.772 63.200 -0.043 0.000 1.115 3 S HN 0.780 nan 8.310 nan 0.000 0.459 4 L N 3.657 124.838 121.223 -0.071 0.000 2.747 4 L HA 0.325 4.696 4.340 0.052 0.000 0.286 4 L C 0.649 177.490 176.870 -0.048 0.000 1.216 4 L CA 1.022 55.828 54.840 -0.056 0.000 0.930 4 L CB -0.598 41.449 42.059 -0.021 0.000 1.216 4 L HN 0.772 nan 8.230 nan 0.000 0.486 5 A N 6.860 129.649 122.820 -0.053 0.000 2.507 5 A HA 0.391 4.742 4.320 0.052 0.000 0.235 5 A C -2.128 175.439 177.584 -0.028 0.000 1.070 5 A CA -0.866 51.147 52.037 -0.040 0.000 0.768 5 A CB -0.832 18.145 19.000 -0.038 0.000 1.011 5 A HN 0.764 nan 8.150 nan 0.000 0.502 6 P HA 0.282 nan 4.420 nan 0.000 0.264 6 P C 1.039 178.329 177.300 -0.017 0.000 1.193 6 P CA 1.761 64.851 63.100 -0.016 0.000 0.763 6 P CB 0.675 32.368 31.700 -0.012 0.000 0.810 7 G N 1.787 110.578 108.800 -0.016 0.000 2.279 7 G HA2 -0.217 3.774 3.960 0.052 0.000 0.223 7 G HA3 -0.217 3.774 3.960 0.052 0.000 0.223 7 G C 0.466 175.351 174.900 -0.024 0.000 1.015 7 G CA -0.050 45.039 45.100 -0.018 0.000 0.621 7 G HN 0.573 nan 8.290 nan 0.000 0.506 8 S N 0.344 116.027 115.700 -0.029 0.000 2.652 8 S HA 0.784 5.286 4.470 0.052 0.000 0.270 8 S C 0.336 174.919 174.600 -0.029 0.000 1.243 8 S CA 0.500 58.677 58.200 -0.039 0.000 0.999 8 S CB 1.645 64.818 63.200 -0.044 0.000 0.973 8 S HN 1.774 nan 8.310 nan 0.000 0.544 9 S N 0.659 116.338 115.700 -0.035 0.000 2.615 9 S HA 0.796 5.297 4.470 0.052 0.000 0.269 9 S C -1.177 173.404 174.600 -0.032 0.000 1.161 9 S CA -1.258 56.930 58.200 -0.020 0.000 0.817 9 S CB 1.761 64.959 63.200 -0.003 0.000 1.131 9 S HN 0.966 nan 8.310 nan 0.000 0.467 10 R N -0.691 119.802 120.500 -0.011 0.000 2.764 10 R HA 0.859 5.230 4.340 0.052 0.000 0.270 10 R C -1.465 174.856 176.300 0.036 0.000 1.014 10 R CA -1.002 55.092 56.100 -0.010 0.000 0.904 10 R CB 1.388 31.675 30.300 -0.022 0.000 1.236 10 R HN 1.182 nan 8.270 nan 0.000 0.466 11 V N -2.166 117.796 119.914 0.081 0.000 2.914 11 V HA 0.502 4.653 4.120 0.052 0.000 0.314 11 V C -0.395 175.728 176.094 0.048 0.000 1.084 11 V CA -0.989 61.360 62.300 0.080 0.000 0.963 11 V CB 1.877 33.779 31.823 0.132 0.000 1.025 11 V HN 0.977 nan 8.190 nan 0.000 0.432 12 E N 1.660 121.862 120.200 0.004 0.000 1.865 12 E HA 0.193 4.574 4.350 0.052 0.000 0.269 12 E C 0.486 177.034 176.600 -0.087 0.000 1.177 12 E CA -0.404 55.981 56.400 -0.025 0.000 0.932 12 E CB 1.095 30.782 29.700 -0.022 0.000 1.066 12 E HN 0.764 nan 8.360 nan 0.000 0.405 13 L N 5.310 126.463 121.223 -0.117 0.000 2.044 13 L HA 0.081 4.452 4.340 0.052 0.000 0.205 13 L C -0.071 176.449 176.870 -0.584 0.000 1.075 13 L CA 1.650 56.266 54.840 -0.373 0.000 0.747 13 L CB 0.105 41.879 42.059 -0.475 0.000 0.903 13 L HN 0.385 nan 8.230 nan 0.000 0.435 14 F N 1.337 121.007 119.950 -0.466 0.000 2.308 14 F HA 0.362 4.920 4.527 0.053 0.000 0.370 14 F C 0.183 175.751 175.800 -0.386 0.000 1.100 14 F CA -0.741 56.813 58.000 -0.744 0.000 1.108 14 F CB 0.566 38.991 39.000 -0.960 0.000 1.293 14 F HN -0.182 nan 8.300 nan 0.000 0.478 15 K N 4.721 125.035 120.400 -0.143 0.000 2.264 15 K HA 0.309 4.660 4.320 0.052 0.000 0.277 15 K C 0.042 176.771 176.600 0.214 0.000 1.067 15 K CA -0.846 55.466 56.287 0.041 0.000 0.900 15 K CB 0.941 33.429 32.500 -0.019 0.000 1.124 15 K HN 0.612 nan 8.250 nan 0.000 0.469 16 R N 3.527 124.162 120.500 0.225 0.000 2.619 16 R HA -0.120 4.251 4.340 0.052 0.000 0.268 16 R C -0.062 176.267 176.300 0.048 0.000 0.990 16 R CA 0.096 56.284 56.100 0.147 0.000 1.092 16 R CB -0.056 30.259 30.300 0.025 0.000 0.935 16 R HN 0.773 nan 8.270 nan 0.000 0.415 17 K N 0.555 120.947 120.400 -0.013 0.000 3.139 17 K HA -0.380 3.971 4.320 0.052 0.000 0.261 17 K C -0.658 175.956 176.600 0.022 0.000 0.895 17 K CA 1.821 58.095 56.287 -0.021 0.000 0.664 17 K CB -0.952 31.495 32.500 -0.089 0.000 1.388 17 K HN 0.921 nan 8.250 nan 0.000 0.472 18 N N -0.269 118.474 118.700 0.072 0.000 2.994 18 N HA -0.003 4.768 4.740 0.052 0.000 0.287 18 N C -0.827 174.728 175.510 0.075 0.000 0.846 18 N CA 0.223 53.305 53.050 0.054 0.000 1.256 18 N CB 0.407 38.911 38.487 0.029 0.000 1.330 18 N HN 0.235 nan 8.380 nan 0.000 1.205 19 S N 1.453 117.213 115.700 0.101 0.000 2.546 19 S HA 0.185 4.686 4.470 0.052 0.000 0.290 19 S C 0.384 175.089 174.600 0.174 0.000 1.290 19 S CA 0.037 58.273 58.200 0.060 0.000 1.069 19 S CB 0.668 63.797 63.200 -0.119 0.000 0.846 19 S HN 0.507 nan 8.310 nan 0.000 0.495 20 T N -0.587 114.029 114.554 0.103 0.000 2.944 20 T HA 0.754 5.135 4.350 0.052 0.000 0.284 20 T C -0.112 174.680 174.700 0.152 0.000 1.010 20 T CA -0.888 61.297 62.100 0.143 0.000 1.025 20 T CB 1.144 70.073 68.868 0.102 0.000 1.079 20 T HN 0.632 nan 8.240 nan 0.000 0.516 21 V N -2.345 117.690 119.914 0.201 0.000 2.876 21 V HA 0.735 4.886 4.120 0.052 0.000 0.312 21 V C -2.984 173.254 176.094 0.239 0.000 1.085 21 V CA -3.042 59.382 62.300 0.206 0.000 0.945 21 V CB 1.964 33.934 31.823 0.244 0.000 1.017 21 V HN 0.812 nan 8.190 nan 0.000 0.428 22 P HA 0.152 nan 4.420 nan 0.000 0.263 22 P C -0.615 176.828 177.300 0.239 0.000 1.601 22 P CA 0.179 63.390 63.100 0.185 0.000 1.161 22 P CB -0.308 31.467 31.700 0.125 0.000 1.730 23 F N 2.811 122.853 119.950 0.154 0.000 2.495 23 F HA 0.143 4.701 4.527 0.051 0.000 0.365 23 F C 0.704 176.552 175.800 0.080 0.000 1.090 23 F CA -0.509 57.577 58.000 0.144 0.000 1.235 23 F CB 0.656 39.733 39.000 0.129 0.000 1.119 23 F HN 0.207 nan 8.300 nan 0.000 0.562 24 E N 6.094 125.884 120.200 -0.684 0.000 2.081 24 E HA 0.126 4.508 4.350 0.052 0.000 0.276 24 E C -0.486 175.647 176.600 -0.777 0.000 0.950 24 E CA -0.765 55.325 56.400 -0.517 0.000 0.776 24 E CB 0.536 30.064 29.700 -0.287 0.000 1.094 24 E HN 0.568 nan 8.360 nan 0.000 0.402 25 E N 2.408 122.356 120.200 -0.420 0.000 2.425 25 E HA -0.006 4.375 4.350 0.052 0.000 0.258 25 E C 1.177 177.681 176.600 -0.160 0.000 1.151 25 E CA 0.627 56.896 56.400 -0.218 0.000 0.958 25 E CB 0.729 30.415 29.700 -0.023 0.000 0.968 25 E HN 0.790 nan 8.360 nan 0.000 0.451 26 S N 1.882 117.536 115.700 -0.077 0.000 2.440 26 S HA -0.201 4.301 4.470 0.052 0.000 0.238 26 S C 1.128 175.704 174.600 -0.041 0.000 1.010 26 S CA 1.617 59.788 58.200 -0.050 0.000 0.972 26 S CB -0.495 62.697 63.200 -0.013 0.000 0.774 26 S HN 0.484 nan 8.310 nan 0.000 0.501 27 N N -0.296 118.382 118.700 -0.036 0.000 2.327 27 N HA 0.353 5.124 4.740 0.052 0.000 0.231 27 N C 0.990 176.483 175.510 -0.029 0.000 1.130 27 N CA 0.427 53.462 53.050 -0.024 0.000 0.845 27 N CB -0.286 38.193 38.487 -0.012 0.000 1.073 27 N HN 0.501 nan 8.380 nan 0.000 0.496 28 G N -0.838 107.934 108.800 -0.047 0.000 2.284 28 G HA2 -0.329 3.662 3.960 0.052 0.000 0.261 28 G HA3 -0.329 3.662 3.960 0.052 0.000 0.261 28 G C 0.371 175.248 174.900 -0.039 0.000 0.997 28 G CA 0.726 45.800 45.100 -0.043 0.000 0.621 28 G HN 0.509 nan 8.290 nan 0.000 0.534 29 T N 0.811 115.345 114.554 -0.032 0.000 2.906 29 T HA 0.454 4.835 4.350 0.052 0.000 0.320 29 T C 0.508 175.195 174.700 -0.022 0.000 1.088 29 T CA 0.650 62.742 62.100 -0.014 0.000 1.120 29 T CB 0.627 69.495 68.868 0.001 0.000 1.000 29 T HN 0.352 nan 8.240 nan 0.000 0.550 30 I N 3.323 123.898 120.570 0.009 0.000 2.498 30 I HA 0.500 4.701 4.170 0.052 0.000 0.290 30 I C 0.061 176.219 176.117 0.069 0.000 1.032 30 I CA -0.786 60.530 61.300 0.027 0.000 1.073 30 I CB 1.505 39.522 38.000 0.029 0.000 1.251 30 I HN 0.454 nan 8.210 nan 0.000 0.426 31 R N 5.822 126.395 120.500 0.122 0.000 2.673 31 R HA 0.401 4.772 4.340 0.052 0.000 0.281 31 R C -1.370 175.037 176.300 0.179 0.000 0.991 31 R CA -0.689 55.495 56.100 0.140 0.000 0.896 31 R CB 2.069 32.458 30.300 0.148 0.000 1.201 31 R HN 0.434 nan 8.270 nan 0.000 0.457 32 E N 3.686 123.966 120.200 0.133 0.000 2.217 32 E HA 0.096 4.477 4.350 0.052 0.000 0.279 32 E C -0.479 176.206 176.600 0.141 0.000 1.068 32 E CA -0.003 56.479 56.400 0.137 0.000 0.882 32 E CB 1.125 30.880 29.700 0.092 0.000 1.039 32 E HN 0.394 nan 8.360 nan 0.000 0.418 33 R N 2.513 123.126 120.500 0.189 0.000 2.494 33 R HA 0.334 4.705 4.340 0.052 0.000 0.305 33 R C -0.626 175.775 176.300 0.168 0.000 0.959 33 R CA -0.663 55.533 56.100 0.161 0.000 0.864 33 R CB 1.108 31.502 30.300 0.156 0.000 1.159 33 R HN 0.196 nan 8.270 nan 0.000 0.446 34 V N 4.069 124.050 119.914 0.113 0.000 2.843 34 V HA 0.144 4.295 4.120 0.052 0.000 0.305 34 V C -0.029 176.114 176.094 0.082 0.000 1.065 34 V CA -0.210 62.147 62.300 0.096 0.000 1.116 34 V CB 1.421 33.280 31.823 0.060 0.000 0.968 34 V HN 0.490 nan 8.190 nan 0.000 0.487 35 V N 3.383 123.300 119.914 0.005 0.000 2.487 35 V HA 0.269 4.420 4.120 0.052 0.000 0.298 35 V C 0.893 176.874 176.094 -0.188 0.000 1.028 35 V CA -0.445 61.725 62.300 -0.218 0.000 0.860 35 V CB 1.249 32.640 31.823 -0.720 0.000 0.991 35 V HN 0.996 nan 8.190 nan 0.000 0.427 36 H N 2.986 121.933 119.070 -0.205 0.000 2.267 36 H HA 0.004 4.591 4.556 0.052 0.000 0.297 36 H C 0.427 175.661 175.328 -0.157 0.000 1.080 36 H CA 1.797 57.764 56.048 -0.135 0.000 1.278 36 H CB 0.606 30.303 29.762 -0.107 0.000 1.365 36 H HN 0.580 nan 8.280 nan 0.000 0.489 37 S N -0.824 114.836 115.700 -0.067 0.000 2.541 37 S HA 0.420 4.921 4.470 0.052 0.000 0.280 37 S C -1.411 172.965 174.600 -0.374 0.000 1.112 37 S CA -0.639 57.522 58.200 -0.065 0.000 0.925 37 S CB 1.848 65.144 63.200 0.160 0.000 1.067 37 S HN 0.198 nan 8.310 nan 0.000 0.479 38 F N 2.192 122.125 119.950 -0.028 0.000 2.426 38 F HA 0.586 5.144 4.527 0.052 0.000 0.348 38 F C 0.863 176.558 175.800 -0.174 0.000 1.124 38 F CA -0.530 57.392 58.000 -0.128 0.000 1.008 38 F CB 1.229 40.178 39.000 -0.085 0.000 1.139 38 F HN 0.230 nan 8.300 nan 0.000 0.452 39 R N 2.614 123.035 120.500 -0.132 0.000 2.905 39 R HA 0.588 4.959 4.340 0.052 0.000 0.260 39 R C -0.784 175.392 176.300 -0.206 0.000 1.086 39 R CA -1.109 54.853 56.100 -0.230 0.000 0.978 39 R CB 1.922 31.956 30.300 -0.443 0.000 1.215 39 R HN 0.538 nan 8.270 nan 0.000 0.480 40 I N -0.207 120.243 120.570 -0.200 0.000 6.835 40 I HA -0.145 4.056 4.170 0.052 0.000 0.126 40 I C -2.304 173.804 176.117 -0.016 0.000 1.824 40 I CA -0.147 61.121 61.300 -0.054 0.000 2.065 40 I CB -2.435 35.508 38.000 -0.094 0.000 3.539 40 I HN 0.477 nan 8.210 nan 0.000 0.178 41 P HA 0.367 nan 4.420 nan 0.000 0.275 41 P C -0.111 177.217 177.300 0.047 0.000 1.227 41 P CA 0.327 63.406 63.100 -0.034 0.000 0.781 41 P CB 1.458 33.159 31.700 0.002 0.000 0.906 42 T N 3.730 118.306 114.554 0.037 0.000 2.971 42 T HA 0.508 4.890 4.350 0.052 0.000 0.304 42 T C -0.468 174.306 174.700 0.123 0.000 1.038 42 T CA -0.384 61.775 62.100 0.098 0.000 1.007 42 T CB 1.100 70.034 68.868 0.112 0.000 1.055 42 T HN 0.361 nan 8.240 nan 0.000 0.451 43 I N 4.307 124.976 120.570 0.164 0.000 2.466 43 I HA 0.734 4.935 4.170 0.052 0.000 0.289 43 I C -0.744 175.491 176.117 0.197 0.000 1.026 43 I CA -0.879 60.541 61.300 0.198 0.000 1.078 43 I CB 1.046 39.196 38.000 0.249 0.000 1.249 43 I HN 0.551 nan 8.210 nan 0.000 0.429 44 V N 3.705 123.731 119.914 0.187 0.000 3.158 44 V HA 0.668 4.819 4.120 0.052 0.000 0.311 44 V C -1.188 174.990 176.094 0.141 0.000 1.181 44 V CA -0.830 61.570 62.300 0.166 0.000 1.054 44 V CB 1.976 33.895 31.823 0.161 0.000 1.085 44 V HN 0.789 nan 8.190 nan 0.000 0.446 45 N N 0.705 119.475 118.700 0.116 0.000 2.446 45 N HA 0.577 5.348 4.740 0.052 0.000 0.265 45 N C -1.314 174.233 175.510 0.062 0.000 0.975 45 N CA -0.403 52.694 53.050 0.079 0.000 0.928 45 N CB 1.615 40.145 38.487 0.072 0.000 1.160 45 N HN 0.715 nan 8.380 nan 0.000 0.495 46 V N 3.606 123.544 119.914 0.040 0.000 2.313 46 V HA 0.262 4.413 4.120 0.052 0.000 0.278 46 V C 0.125 176.213 176.094 -0.011 0.000 1.017 46 V CA -0.678 61.630 62.300 0.014 0.000 0.823 46 V CB 0.794 32.612 31.823 -0.008 0.000 1.010 46 V HN 0.837 nan 8.190 nan 0.000 0.443 47 D N 4.469 124.865 120.400 -0.006 0.000 2.708 47 D HA -0.198 4.473 4.640 0.052 0.000 0.236 47 D C 1.318 177.605 176.300 -0.022 0.000 1.146 47 D CA 1.998 55.988 54.000 -0.018 0.000 0.662 47 D CB -1.050 39.729 40.800 -0.034 0.000 1.059 47 D HN 1.394 nan 8.370 nan 0.000 0.428 48 G N -2.162 106.630 108.800 -0.014 0.000 2.179 48 G HA2 -0.267 3.724 3.960 0.052 0.000 0.260 48 G HA3 -0.267 3.724 3.960 0.052 0.000 0.260 48 G C 0.321 175.201 174.900 -0.034 0.000 0.977 48 G CA 0.279 45.366 45.100 -0.022 0.000 0.641 48 G HN 0.892 nan 8.290 nan 0.000 0.533 49 V N 2.038 121.935 119.914 -0.027 0.000 2.370 49 V HA 0.573 4.724 4.120 0.052 0.000 0.283 49 V C 0.857 176.952 176.094 0.003 0.000 1.023 49 V CA -0.548 61.736 62.300 -0.026 0.000 0.857 49 V CB 1.621 33.428 31.823 -0.027 0.000 0.985 49 V HN 0.340 nan 8.190 nan 0.000 0.443 50 M N 4.691 124.273 119.600 -0.030 0.000 2.217 50 M HA 0.329 4.840 4.480 0.052 0.000 0.352 50 M C -0.803 175.606 176.300 0.181 0.000 1.376 50 M CA 0.074 55.392 55.300 0.029 0.000 1.107 50 M CB 1.045 33.584 32.600 -0.102 0.000 1.723 50 M HN 0.431 nan 8.290 nan 0.000 0.461 51 V N 3.379 123.431 119.914 0.230 0.000 2.407 51 V HA 0.593 4.744 4.120 0.052 0.000 0.291 51 V C -0.143 176.128 176.094 0.296 0.000 1.018 51 V CA -0.892 61.593 62.300 0.308 0.000 0.842 51 V CB 1.400 33.380 31.823 0.261 0.000 0.996 51 V HN 0.911 nan 8.190 nan 0.000 0.426 52 A N 6.613 129.630 122.820 0.327 0.000 2.258 52 A HA 0.884 5.235 4.320 0.052 0.000 0.316 52 A C -0.652 177.055 177.584 0.206 0.000 1.279 52 A CA -0.331 51.848 52.037 0.237 0.000 0.876 52 A CB 0.302 19.420 19.000 0.196 0.000 1.170 52 A HN 0.774 nan 8.150 nan 0.000 0.520 53 I N 1.749 122.370 120.570 0.086 0.000 2.493 53 I HA 0.742 4.944 4.170 0.052 0.000 0.298 53 I C 0.379 176.413 176.117 -0.138 0.000 0.998 53 I CA -0.070 61.240 61.300 0.016 0.000 1.137 53 I CB 2.174 40.209 38.000 0.058 0.000 1.310 53 I HN 0.783 nan 8.210 nan 0.000 0.445 54 A N 3.381 126.094 122.820 -0.179 0.000 2.597 54 A HA 0.515 4.866 4.320 0.052 0.000 0.292 54 A C -1.791 175.700 177.584 -0.154 0.000 1.057 54 A CA -0.771 51.116 52.037 -0.250 0.000 0.674 54 A CB 1.065 19.719 19.000 -0.577 0.000 1.278 54 A HN 0.559 nan 8.150 nan 0.000 0.416 55 D N 1.509 121.814 120.400 -0.158 0.000 2.383 55 D HA 0.461 5.133 4.640 0.052 0.000 0.252 55 D C 0.357 176.544 176.300 -0.187 0.000 1.166 55 D CA 1.130 55.029 54.000 -0.169 0.000 0.879 55 D CB 1.237 41.915 40.800 -0.203 0.000 1.164 55 D HN 0.797 nan 8.370 nan 0.000 0.462 56 A N 4.445 127.112 122.820 -0.256 0.000 2.478 56 A HA 0.290 4.642 4.320 0.052 0.000 0.327 56 A C 0.148 177.369 177.584 -0.605 0.000 1.431 56 A CA -0.688 51.029 52.037 -0.533 0.000 1.014 56 A CB 0.142 18.808 19.000 -0.556 0.000 1.143 56 A HN 0.426 nan 8.150 nan 0.000 0.532 57 R N 2.975 123.169 120.500 -0.510 0.000 2.408 57 R HA 0.214 4.585 4.340 0.052 0.000 0.308 57 R C -0.383 175.783 176.300 -0.224 0.000 1.210 57 R CA -0.137 55.792 56.100 -0.285 0.000 1.115 57 R CB 0.139 30.299 30.300 -0.235 0.000 1.127 57 R HN 0.825 nan 8.270 nan 0.000 0.523 58 Y N 1.129 121.370 120.300 -0.099 0.000 2.128 58 Y HA -0.241 4.340 4.550 0.051 0.000 0.284 58 Y C 1.971 177.849 175.900 -0.037 0.000 1.154 58 Y CA 1.386 59.452 58.100 -0.056 0.000 1.149 58 Y CB 0.308 38.805 38.460 0.062 0.000 0.976 58 Y HN 0.432 nan 8.280 nan 0.000 0.505 59 E N -1.547 118.728 120.200 0.124 0.000 2.330 59 E HA 0.118 4.499 4.350 0.052 0.000 0.200 59 E C 0.632 177.096 176.600 -0.227 0.000 0.922 59 E CA 0.652 57.053 56.400 0.002 0.000 0.935 59 E CB 0.581 30.278 29.700 -0.005 0.000 0.917 59 E HN 0.220 nan 8.360 nan 0.000 0.491 60 T N -1.141 113.206 114.554 -0.345 0.000 2.792 60 T HA 0.197 4.578 4.350 0.052 0.000 0.303 60 T C 0.316 174.697 174.700 -0.532 0.000 1.310 60 T CA 0.098 61.746 62.100 -0.752 0.000 1.007 60 T CB 1.281 69.876 68.868 -0.454 0.000 1.335 60 T HN -0.066 nan 8.240 nan 0.000 0.504 61 S N 0.862 116.216 115.700 -0.577 0.000 2.558 61 S HA 0.276 4.777 4.470 0.052 0.000 0.217 61 S C 0.456 174.883 174.600 -0.290 0.000 0.975 61 S CA -0.271 57.744 58.200 -0.308 0.000 0.912 61 S CB -0.570 62.594 63.200 -0.060 0.000 0.776 61 S HN 0.466 nan 8.310 nan 0.000 0.526 62 F N 3.511 123.350 119.950 -0.185 0.000 2.553 62 F HA 0.211 4.769 4.527 0.052 0.000 0.356 62 F C 1.447 177.139 175.800 -0.179 0.000 1.142 62 F CA -1.089 56.806 58.000 -0.174 0.000 1.322 62 F CB 0.097 39.011 39.000 -0.144 0.000 1.126 62 F HN 0.036 nan 8.300 nan 0.000 0.599 63 D N 0.614 121.045 120.400 0.051 0.000 2.123 63 D HA -0.182 4.490 4.640 0.052 0.000 0.196 63 D C 0.529 176.782 176.300 -0.077 0.000 0.992 63 D CA 1.424 55.383 54.000 -0.069 0.000 0.833 63 D CB -0.134 40.611 40.800 -0.093 0.000 0.954 63 D HN 0.406 nan 8.370 nan 0.000 0.455 64 N N 1.041 119.712 118.700 -0.049 0.000 3.188 64 N HA 0.105 4.876 4.740 0.052 0.000 0.279 64 N C -0.323 175.194 175.510 0.011 0.000 1.213 64 N CA 0.028 53.045 53.050 -0.054 0.000 1.138 64 N CB 0.722 39.165 38.487 -0.072 0.000 1.417 64 N HN 0.105 nan 8.380 nan 0.000 0.526 65 S N -0.296 115.421 115.700 0.029 0.000 2.776 65 S HA 0.432 4.934 4.470 0.052 0.000 0.292 65 S C -0.758 173.916 174.600 0.124 0.000 1.187 65 S CA -0.846 57.404 58.200 0.083 0.000 0.834 65 S CB 1.104 64.350 63.200 0.076 0.000 1.199 65 S HN 0.132 nan 8.310 nan 0.000 0.514 66 F N 1.593 121.552 119.950 0.015 0.000 2.487 66 F HA 0.600 5.158 4.527 0.052 0.000 0.364 66 F C -0.521 175.363 175.800 0.139 0.000 1.126 66 F CA -0.548 57.481 58.000 0.049 0.000 1.135 66 F CB -0.478 38.519 39.000 -0.005 0.000 1.127 66 F HN 0.399 nan 8.300 nan 0.000 0.559 67 I N 5.330 125.763 120.570 -0.228 0.000 2.647 67 I HA 0.397 4.598 4.170 0.052 0.000 0.295 67 I C -0.804 175.209 176.117 -0.173 0.000 1.078 67 I CA -0.746 60.471 61.300 -0.137 0.000 1.048 67 I CB 2.339 40.266 38.000 -0.122 0.000 1.239 67 I HN 0.450 nan 8.210 nan 0.000 0.421 68 E N 2.232 122.393 120.200 -0.065 0.000 2.392 68 E HA 0.435 4.816 4.350 0.052 0.000 0.269 68 E C -1.267 175.277 176.600 -0.092 0.000 0.924 68 E CA -0.918 55.460 56.400 -0.037 0.000 0.784 68 E CB 2.405 32.196 29.700 0.150 0.000 1.292 68 E HN 0.424 nan 8.360 nan 0.000 0.447 69 T N 1.430 115.922 114.554 -0.103 0.000 2.723 69 T HA 0.417 4.798 4.350 0.052 0.000 0.297 69 T C -0.250 174.382 174.700 -0.112 0.000 0.925 69 T CA -0.417 61.605 62.100 -0.130 0.000 1.030 69 T CB 0.556 69.314 68.868 -0.183 0.000 0.905 69 T HN 0.459 nan 8.240 nan 0.000 0.502 70 A N 3.595 126.391 122.820 -0.041 0.000 2.295 70 A HA 0.798 5.149 4.320 0.052 0.000 0.318 70 A C -0.340 177.291 177.584 0.078 0.000 1.134 70 A CA -0.604 51.471 52.037 0.063 0.000 0.827 70 A CB 0.889 20.036 19.000 0.244 0.000 1.136 70 A HN 0.654 nan 8.150 nan 0.000 0.493 71 V N 1.616 121.613 119.914 0.138 0.000 2.789 71 V HA 0.463 4.614 4.120 0.052 0.000 0.311 71 V C -0.394 175.859 176.094 0.265 0.000 1.073 71 V CA -0.683 61.755 62.300 0.229 0.000 0.921 71 V CB 2.180 34.158 31.823 0.258 0.000 1.009 71 V HN 0.924 nan 8.190 nan 0.000 0.426 72 K N 3.698 124.270 120.400 0.286 0.000 2.426 72 K HA 0.621 4.972 4.320 0.052 0.000 0.254 72 K C -1.687 175.152 176.600 0.399 0.000 0.936 72 K CA -0.625 55.725 56.287 0.107 0.000 0.801 72 K CB 2.226 34.477 32.500 -0.415 0.000 1.139 72 K HN 0.735 nan 8.250 nan 0.000 0.424 73 Y N -1.136 119.377 120.300 0.355 0.000 2.524 73 Y HA 0.723 5.304 4.550 0.052 0.000 0.344 73 Y C -0.531 175.421 175.900 0.086 0.000 1.012 73 Y CA -1.086 57.185 58.100 0.285 0.000 1.068 73 Y CB 2.035 40.591 38.460 0.159 0.000 1.249 73 Y HN 0.381 nan 8.280 nan 0.000 0.468 74 S N 1.430 117.064 115.700 -0.110 0.000 2.541 74 S HA 0.490 4.992 4.470 0.052 0.000 0.280 74 S C -0.127 174.308 174.600 -0.275 0.000 1.112 74 S CA -0.237 57.637 58.200 -0.544 0.000 0.925 74 S CB 1.465 63.724 63.200 -1.568 0.000 1.067 74 S HN 1.315 nan 8.310 nan 0.000 0.479 75 V N 0.664 120.451 119.914 -0.212 0.000 3.621 75 V HA 0.413 4.564 4.120 0.052 0.000 0.285 75 V C 0.148 176.145 176.094 -0.162 0.000 1.346 75 V CA 0.670 62.893 62.300 -0.128 0.000 1.104 75 V CB -0.386 31.402 31.823 -0.057 0.000 0.913 75 V HN 0.816 nan 8.190 nan 0.000 0.432 76 D N -1.241 119.008 120.400 -0.252 0.000 2.891 76 D HA 0.194 4.865 4.640 0.052 0.000 0.332 76 D C 0.106 176.281 176.300 -0.208 0.000 1.369 76 D CA -0.386 53.498 54.000 -0.194 0.000 0.827 76 D CB -0.412 40.291 40.800 -0.163 0.000 1.141 76 D HN 0.164 nan 8.370 nan 0.000 0.464 77 D N 0.331 120.587 120.400 -0.239 0.000 2.811 77 D HA -0.171 4.500 4.640 0.052 0.000 0.231 77 D C 1.289 177.505 176.300 -0.140 0.000 1.157 77 D CA 1.724 55.622 54.000 -0.169 0.000 0.716 77 D CB -1.247 39.566 40.800 0.022 0.000 1.077 77 D HN 0.775 nan 8.370 nan 0.000 0.428 78 G N -1.681 106.810 108.800 -0.516 0.000 2.179 78 G HA2 -0.215 3.776 3.960 0.052 0.000 0.220 78 G HA3 -0.215 3.776 3.960 0.052 0.000 0.220 78 G C 1.159 175.952 174.900 -0.179 0.000 0.990 78 G CA 0.838 45.673 45.100 -0.443 0.000 0.646 78 G HN 0.870 nan 8.290 nan 0.000 0.517 79 A N -0.492 122.198 122.820 -0.216 0.000 1.898 79 A HA 0.457 4.808 4.320 0.052 0.000 0.216 79 A C 1.648 179.149 177.584 -0.139 0.000 1.181 79 A CA 2.682 54.660 52.037 -0.099 0.000 0.620 79 A CB -0.292 18.656 19.000 -0.087 0.000 0.819 79 A HN 1.991 nan 8.150 nan 0.000 0.442 80 T N -5.784 108.572 114.554 -0.329 0.000 2.883 80 T HA 0.578 4.959 4.350 0.052 0.000 0.301 80 T C -1.325 173.066 174.700 -0.515 0.000 1.158 80 T CA -0.765 61.187 62.100 -0.246 0.000 1.007 80 T CB 1.264 70.040 68.868 -0.154 0.000 1.186 80 T HN 0.391 nan 8.240 nan 0.000 0.499 81 W N 0.377 121.536 121.300 -0.235 0.000 3.127 81 W HA 0.652 5.343 4.660 0.052 0.000 0.330 81 W C -0.696 175.593 176.519 -0.382 0.000 1.187 81 W CA -0.601 56.544 57.345 -0.332 0.000 1.198 81 W CB 1.689 30.928 29.460 -0.369 0.000 1.408 81 W HN 0.588 nan 8.180 nan 0.000 0.529 82 N N 0.688 119.167 118.700 -0.369 0.000 2.430 82 N HA 0.655 5.426 4.740 0.052 0.000 0.298 82 N C -0.878 174.441 175.510 -0.319 0.000 1.130 82 N CA -0.501 52.292 53.050 -0.428 0.000 0.894 82 N CB 1.751 39.818 38.487 -0.699 0.000 1.209 82 N HN 0.182 nan 8.380 nan 0.000 0.503 83 T N 1.224 115.699 114.554 -0.132 0.000 2.841 83 T HA 0.563 4.944 4.350 0.052 0.000 0.283 83 T C -0.426 174.325 174.700 0.085 0.000 1.000 83 T CA -0.651 61.428 62.100 -0.035 0.000 0.977 83 T CB 1.548 70.369 68.868 -0.079 0.000 0.979 83 T HN 0.312 nan 8.240 nan 0.000 0.446 84 Q N 1.201 121.089 119.800 0.148 0.000 2.501 84 Q HA 0.543 4.914 4.340 0.052 0.000 0.288 84 Q C -1.295 174.765 176.000 0.101 0.000 1.051 84 Q CA -1.107 54.797 55.803 0.168 0.000 0.788 84 Q CB 2.194 31.102 28.738 0.283 0.000 1.469 84 Q HN 0.386 nan 8.270 nan 0.000 0.416 85 I N 1.816 122.424 120.570 0.063 0.000 2.337 85 I HA 0.229 4.430 4.170 0.052 0.000 0.285 85 I C 0.658 176.674 176.117 -0.168 0.000 1.041 85 I CA 0.098 61.396 61.300 -0.003 0.000 1.199 85 I CB 0.531 38.577 38.000 0.077 0.000 1.370 85 I HN 0.896 nan 8.210 nan 0.000 0.470 86 A N 7.632 130.200 122.820 -0.420 0.000 1.968 86 A HA 0.179 4.531 4.320 0.052 0.000 0.217 86 A C 0.931 178.184 177.584 -0.551 0.000 1.169 86 A CA 1.084 52.536 52.037 -0.975 0.000 0.638 86 A CB 0.107 18.091 19.000 -1.694 0.000 0.812 86 A HN 0.605 nan 8.150 nan 0.000 0.446 87 I N -0.285 120.091 120.570 -0.323 0.000 2.548 87 I HA 0.242 4.443 4.170 0.052 0.000 0.287 87 I C -0.910 175.138 176.117 -0.116 0.000 1.103 87 I CA -0.627 60.557 61.300 -0.193 0.000 1.049 87 I CB 2.179 40.064 38.000 -0.191 0.000 1.232 87 I HN -0.029 nan 8.210 nan 0.000 0.429 88 K N 5.184 125.533 120.400 -0.084 0.000 2.144 88 K HA 0.326 4.678 4.320 0.052 0.000 0.270 88 K C -0.094 176.459 176.600 -0.077 0.000 1.005 88 K CA -0.596 55.655 56.287 -0.060 0.000 0.932 88 K CB 1.124 33.590 32.500 -0.057 0.000 1.021 88 K HN 0.684 nan 8.250 nan 0.000 0.462 89 N N -0.533 118.110 118.700 -0.095 0.000 2.379 89 N HA -0.025 4.746 4.740 0.052 0.000 0.260 89 N C 0.713 176.195 175.510 -0.045 0.000 1.254 89 N CA -0.327 52.661 53.050 -0.104 0.000 0.958 89 N CB 0.976 39.348 38.487 -0.192 0.000 1.208 89 N HN 0.536 nan 8.380 nan 0.000 0.532 90 S N -0.213 115.471 115.700 -0.027 0.000 2.474 90 S HA -0.105 4.396 4.470 0.052 0.000 0.235 90 S C 0.587 175.215 174.600 0.047 0.000 0.997 90 S CA 0.032 58.231 58.200 -0.002 0.000 0.949 90 S CB -0.390 62.804 63.200 -0.009 0.000 0.766 90 S HN 0.694 nan 8.310 nan 0.000 0.517 91 R N -0.490 120.075 120.500 0.110 0.000 3.770 91 R HA -0.179 4.193 4.340 0.052 0.000 0.305 91 R C 1.064 177.441 176.300 0.128 0.000 1.184 91 R CA 0.860 57.075 56.100 0.191 0.000 0.823 91 R CB -2.748 27.642 30.300 0.151 0.000 1.285 91 R HN 0.683 nan 8.270 nan 0.000 0.499 92 A N 0.103 122.984 122.820 0.102 0.000 1.968 92 A HA 0.061 4.412 4.320 0.052 0.000 0.217 92 A C 1.132 178.758 177.584 0.071 0.000 1.169 92 A CA 1.594 53.672 52.037 0.068 0.000 0.638 92 A CB 0.146 19.177 19.000 0.052 0.000 0.812 92 A HN 0.689 nan 8.150 nan 0.000 0.446 93 S N -2.636 113.126 115.700 0.104 0.000 2.752 93 S HA 0.365 4.866 4.470 0.052 0.000 0.284 93 S C 0.659 175.332 174.600 0.122 0.000 1.189 93 S CA 0.434 58.683 58.200 0.082 0.000 0.835 93 S CB 0.640 63.881 63.200 0.067 0.000 1.192 93 S HN 0.808 nan 8.310 nan 0.000 0.506 94 S N -0.199 115.536 115.700 0.059 0.000 2.603 94 S HA 0.003 4.504 4.470 0.052 0.000 0.229 94 S C 1.286 175.988 174.600 0.170 0.000 0.972 94 S CA 0.733 58.951 58.200 0.030 0.000 0.935 94 S CB -0.908 62.264 63.200 -0.047 0.000 0.769 94 S HN 1.704 nan 8.310 nan 0.000 0.536 95 V N -2.267 117.753 119.914 0.177 0.000 3.276 95 V HA 0.438 4.589 4.120 0.052 0.000 0.319 95 V C 0.211 176.408 176.094 0.171 0.000 1.427 95 V CA -0.653 61.750 62.300 0.172 0.000 1.102 95 V CB -0.466 31.410 31.823 0.088 0.000 1.020 95 V HN 0.262 nan 8.190 nan 0.000 0.456 96 S N 3.277 119.107 115.700 0.216 0.000 2.558 96 S HA 0.510 5.011 4.470 0.052 0.000 0.288 96 S C 0.202 174.806 174.600 0.007 0.000 1.318 96 S CA -0.028 58.251 58.200 0.132 0.000 1.056 96 S CB 0.166 63.450 63.200 0.140 0.000 0.853 96 S HN 0.931 nan 8.310 nan 0.000 0.505 97 R N -0.424 120.093 120.500 0.028 0.000 2.594 97 R HA 0.617 4.988 4.340 0.052 0.000 0.265 97 R C -1.741 174.572 176.300 0.022 0.000 1.070 97 R CA -1.067 55.017 56.100 -0.026 0.000 0.909 97 R CB 0.743 31.051 30.300 0.014 0.000 1.243 97 R HN 0.386 nan 8.270 nan 0.000 0.455 98 V N 0.637 120.518 119.914 -0.055 0.000 2.448 98 V HA 0.803 4.954 4.120 0.052 0.000 0.295 98 V C -0.005 176.052 176.094 -0.063 0.000 1.025 98 V CA -0.776 61.488 62.300 -0.060 0.000 0.859 98 V CB 1.195 32.955 31.823 -0.107 0.000 0.988 98 V HN 0.977 nan 8.190 nan 0.000 0.431 99 M N 1.495 121.071 119.600 -0.041 0.000 2.721 99 M HA 0.740 5.251 4.480 0.052 0.000 0.271 99 M C -1.161 175.095 176.300 -0.074 0.000 1.259 99 M CA -0.441 54.821 55.300 -0.063 0.000 0.835 99 M CB 2.243 34.811 32.600 -0.054 0.000 1.689 99 M HN 0.539 nan 8.290 nan 0.000 0.470 100 D N 0.543 120.895 120.400 -0.081 0.000 2.760 100 D HA -0.058 4.613 4.640 0.052 0.000 0.244 100 D C -0.269 176.003 176.300 -0.046 0.000 1.123 100 D CA 1.456 55.422 54.000 -0.055 0.000 0.719 100 D CB -1.113 39.638 40.800 -0.083 0.000 1.045 100 D HN 1.010 nan 8.370 nan 0.000 0.426 101 A N 0.509 123.308 122.820 -0.035 0.000 2.477 101 A HA 0.496 4.848 4.320 0.052 0.000 0.246 101 A C 0.802 178.407 177.584 0.035 0.000 1.078 101 A CA 0.460 52.486 52.037 -0.018 0.000 0.770 101 A CB 0.612 19.604 19.000 -0.014 0.000 1.011 101 A HN 0.172 nan 8.150 nan 0.000 0.494 102 T N 1.763 116.345 114.554 0.048 0.000 2.848 102 T HA 0.563 4.944 4.350 0.052 0.000 0.285 102 T C -0.725 174.153 174.700 0.296 0.000 0.995 102 T CA -0.381 61.808 62.100 0.148 0.000 0.970 102 T CB 1.414 70.332 68.868 0.083 0.000 0.976 102 T HN 0.517 nan 8.240 nan 0.000 0.441 103 V N 4.172 124.292 119.914 0.344 0.000 2.638 103 V HA 0.576 4.727 4.120 0.052 0.000 0.306 103 V C -0.622 175.654 176.094 0.303 0.000 1.052 103 V CA -0.818 61.688 62.300 0.342 0.000 0.885 103 V CB 1.793 33.761 31.823 0.243 0.000 0.999 103 V HN 0.812 nan 8.190 nan 0.000 0.424 104 I N 4.126 124.875 120.570 0.298 0.000 2.509 104 I HA 0.572 4.773 4.170 0.052 0.000 0.293 104 I C -0.741 175.538 176.117 0.271 0.000 1.020 104 I CA -0.992 60.416 61.300 0.179 0.000 1.088 104 I CB 2.320 40.301 38.000 -0.031 0.000 1.267 104 I HN 0.267 nan 8.210 nan 0.000 0.430 105 V N 5.858 125.888 119.914 0.193 0.000 2.417 105 V HA 0.448 4.599 4.120 0.052 0.000 0.291 105 V C -0.243 175.949 176.094 0.163 0.000 1.024 105 V CA -0.614 61.795 62.300 0.181 0.000 0.861 105 V CB 1.687 33.586 31.823 0.127 0.000 0.985 105 V HN 0.636 nan 8.190 nan 0.000 0.436 106 K N 3.255 123.775 120.400 0.201 0.000 2.601 106 K HA 0.595 4.947 4.320 0.052 0.000 0.249 106 K C 0.616 177.283 176.600 0.111 0.000 0.966 106 K CA 0.371 56.748 56.287 0.150 0.000 0.827 106 K CB 1.544 34.144 32.500 0.166 0.000 1.178 106 K HN 0.935 nan 8.250 nan 0.000 0.437 107 G N 3.668 112.503 108.800 0.059 0.000 2.629 107 G HA2 -0.413 3.578 3.960 0.052 0.000 0.313 107 G HA3 -0.413 3.578 3.960 0.052 0.000 0.313 107 G C 0.247 175.152 174.900 0.007 0.000 1.217 107 G CA 0.627 45.744 45.100 0.028 0.000 0.994 107 G HN 0.826 nan 8.290 nan 0.000 0.549 108 N N 1.476 120.165 118.700 -0.019 0.000 2.251 108 N HA 0.132 4.903 4.740 0.052 0.000 0.217 108 N C 0.235 175.683 175.510 -0.103 0.000 1.124 108 N CA 0.493 53.506 53.050 -0.061 0.000 0.843 108 N CB 0.286 38.726 38.487 -0.077 0.000 1.024 108 N HN 0.707 nan 8.380 nan 0.000 0.501 109 K N 0.581 120.938 120.400 -0.073 0.000 2.156 109 K HA 0.470 4.821 4.320 0.052 0.000 0.254 109 K C -0.824 175.693 176.600 -0.137 0.000 0.950 109 K CA -0.690 55.492 56.287 -0.175 0.000 0.849 109 K CB 2.249 34.609 32.500 -0.234 0.000 1.100 109 K HN -0.002 nan 8.250 nan 0.000 0.434 110 L N 3.255 124.334 121.223 -0.240 0.000 2.305 110 L HA 0.393 4.764 4.340 0.052 0.000 0.284 110 L C -1.196 175.605 176.870 -0.115 0.000 1.013 110 L CA -0.739 54.078 54.840 -0.040 0.000 0.819 110 L CB 0.729 42.824 42.059 0.059 0.000 1.227 110 L HN 0.511 nan 8.230 nan 0.000 0.417 111 Y N 4.353 124.781 120.300 0.212 0.000 2.331 111 Y HA 0.545 5.125 4.550 0.051 0.000 0.338 111 Y C 0.072 176.184 175.900 0.353 0.000 0.976 111 Y CA -0.542 57.731 58.100 0.289 0.000 1.137 111 Y CB 1.140 39.782 38.460 0.304 0.000 1.172 111 Y HN 0.329 nan 8.280 nan 0.000 0.478 112 I N 5.309 126.122 120.570 0.405 0.000 2.406 112 I HA 0.303 4.504 4.170 0.052 0.000 0.290 112 I C -1.139 175.059 176.117 0.134 0.000 0.999 112 I CA -0.989 60.475 61.300 0.274 0.000 1.124 112 I CB 1.878 39.981 38.000 0.173 0.000 1.289 112 I HN 0.383 nan 8.210 nan 0.000 0.441 113 L N 9.106 130.321 121.223 -0.015 0.000 2.333 113 L HA 0.749 5.121 4.340 0.052 0.000 0.280 113 L C -0.605 176.139 176.870 -0.210 0.000 1.004 113 L CA -0.382 54.309 54.840 -0.248 0.000 0.820 113 L CB 1.641 43.272 42.059 -0.714 0.000 1.247 113 L HN 0.438 nan 8.230 nan 0.000 0.416 114 V N 1.403 121.187 119.914 -0.216 0.000 3.078 114 V HA 0.969 5.120 4.120 0.052 0.000 0.311 114 V C 0.148 176.093 176.094 -0.247 0.000 1.138 114 V CA -0.357 61.829 62.300 -0.190 0.000 1.007 114 V CB 1.343 33.076 31.823 -0.149 0.000 1.045 114 V HN 0.914 nan 8.190 nan 0.000 0.432 115 G N 0.503 109.196 108.800 -0.179 0.000 2.356 115 G HA2 0.531 4.522 3.960 0.052 0.000 0.298 115 G HA3 0.531 4.522 3.960 0.052 0.000 0.298 115 G C -0.435 174.335 174.900 -0.217 0.000 1.145 115 G CA -0.140 44.846 45.100 -0.190 0.000 0.850 115 G HN 1.082 nan 8.290 nan 0.000 0.487 116 S N 0.825 116.188 115.700 -0.561 0.000 2.502 116 S HA 0.804 5.305 4.470 0.052 0.000 0.304 116 S C -1.203 173.034 174.600 -0.606 0.000 1.097 116 S CA -0.643 57.319 58.200 -0.398 0.000 1.045 116 S CB 0.410 63.389 63.200 -0.367 0.000 1.019 116 S HN 0.346 nan 8.310 nan 0.000 0.481 117 F N 3.095 123.032 119.950 -0.022 0.000 2.576 117 F HA 0.542 5.104 4.527 0.057 0.000 0.313 117 F C 1.033 176.842 175.800 0.015 0.000 1.078 117 F CA -0.915 57.112 58.000 0.046 0.000 0.921 117 F CB 1.858 40.922 39.000 0.108 0.000 1.232 117 F HN 0.451 nan 8.300 nan 0.000 0.459 118 N N 0.999 119.813 118.700 0.191 0.000 2.511 118 N HA 0.026 4.798 4.740 0.052 0.000 0.190 118 N C 1.030 176.609 175.510 0.114 0.000 1.037 118 N CA 0.884 54.001 53.050 0.112 0.000 0.895 118 N CB 0.175 38.698 38.487 0.059 0.000 1.149 118 N HN 0.727 nan 8.380 nan 0.000 0.437 119 K N -0.161 120.302 120.400 0.104 0.000 2.585 119 K HA 0.135 4.486 4.320 0.052 0.000 0.210 119 K C -0.131 176.491 176.600 0.036 0.000 1.294 119 K CA -0.164 56.162 56.287 0.065 0.000 1.025 119 K CB 0.114 32.638 32.500 0.039 0.000 1.076 119 K HN -0.016 nan 8.250 nan 0.000 0.613 120 T N -0.124 114.447 114.554 0.030 0.000 2.898 120 T HA 0.290 4.671 4.350 0.052 0.000 0.301 120 T C 0.669 175.371 174.700 0.004 0.000 1.049 120 T CA -0.741 61.341 62.100 -0.029 0.000 1.095 120 T CB 1.305 70.067 68.868 -0.178 0.000 0.976 120 T HN 0.146 nan 8.240 nan 0.000 0.539 121 R N 1.084 121.579 120.500 -0.008 0.000 2.446 121 R HA 0.174 4.546 4.340 0.052 0.000 0.254 121 R C 0.315 176.597 176.300 -0.029 0.000 0.918 121 R CA -0.302 55.784 56.100 -0.023 0.000 1.069 121 R CB -0.230 30.048 30.300 -0.035 0.000 1.194 121 R HN 0.815 nan 8.270 nan 0.000 0.534 122 N N 0.079 118.794 118.700 0.025 0.000 2.518 122 N HA 0.067 4.838 4.740 0.052 0.000 0.284 122 N C -0.520 175.044 175.510 0.090 0.000 1.230 122 N CA -0.567 52.502 53.050 0.032 0.000 0.941 122 N CB 0.784 39.294 38.487 0.038 0.000 1.219 122 N HN -0.277 nan 8.380 nan 0.000 0.560 123 S N 0.318 116.016 115.700 -0.004 0.000 2.549 123 S HA 0.043 4.544 4.470 0.052 0.000 0.283 123 S C 1.401 175.844 174.600 -0.261 0.000 1.320 123 S CA -0.775 57.384 58.200 -0.067 0.000 1.058 123 S CB -0.204 62.949 63.200 -0.078 0.000 0.882 123 S HN 0.662 nan 8.310 nan 0.000 0.498 124 W N 4.930 125.868 121.300 -0.603 0.000 2.308 124 W HA -0.207 4.479 4.660 0.043 0.000 0.301 124 W C 1.446 177.607 176.519 -0.597 0.000 1.220 124 W CA 2.151 58.931 57.345 -0.941 0.000 1.240 124 W CB -2.159 27.052 29.460 -0.416 0.000 1.142 124 W HN 0.791 nan 8.180 nan 0.000 0.521 125 T N -1.323 112.538 114.554 -1.155 0.000 3.035 125 T HA 0.053 4.434 4.350 0.052 0.000 0.268 125 T C 1.977 176.405 174.700 -0.454 0.000 1.109 125 T CA 2.143 63.669 62.100 -0.956 0.000 1.119 125 T CB -0.631 67.696 68.868 -0.901 0.000 0.900 125 T HN 0.391 nan 8.240 nan 0.000 0.503 126 Q N 0.227 119.831 119.800 -0.327 0.000 2.220 126 Q HA 0.266 4.638 4.340 0.052 0.000 0.205 126 Q C 0.313 176.330 176.000 0.029 0.000 0.865 126 Q CA -0.331 55.395 55.803 -0.129 0.000 0.960 126 Q CB -0.634 28.051 28.738 -0.090 0.000 1.097 126 Q HN 0.758 nan 8.270 nan 0.000 0.493 127 H N -0.171 118.874 119.070 -0.042 0.000 2.852 127 H HA 0.385 4.970 4.556 0.048 0.000 0.362 127 H C 1.892 177.222 175.328 0.003 0.000 1.122 127 H CA 0.588 56.646 56.048 0.017 0.000 1.419 127 H CB 0.949 30.764 29.762 0.088 0.000 1.401 127 H HN 0.486 nan 8.280 nan 0.000 0.609 128 R N 1.902 122.481 120.500 0.132 0.000 2.096 128 R HA -0.055 4.316 4.340 0.052 0.000 0.235 128 R C 0.382 176.728 176.300 0.077 0.000 1.127 128 R CA 2.165 58.307 56.100 0.070 0.000 0.968 128 R CB -0.868 29.456 30.300 0.039 0.000 0.861 128 R HN 0.921 nan 8.270 nan 0.000 0.440 129 D N -5.993 114.476 120.400 0.116 0.000 2.851 129 D HA 0.329 5.001 4.640 0.052 0.000 0.339 129 D C 0.657 177.066 176.300 0.182 0.000 1.347 129 D CA 0.076 54.146 54.000 0.117 0.000 0.888 129 D CB 0.320 41.173 40.800 0.090 0.000 1.431 129 D HN 0.005 nan 8.370 nan 0.000 0.509 130 G N -1.049 107.871 108.800 0.201 0.000 3.233 130 G HA2 0.116 4.107 3.960 0.052 0.000 0.227 130 G HA3 0.116 4.107 3.960 0.052 0.000 0.227 130 G C 1.033 176.143 174.900 0.351 0.000 1.175 130 G CA 0.612 45.900 45.100 0.314 0.000 0.781 130 G HN 0.536 nan 8.290 nan 0.000 0.542 131 S N 0.340 116.168 115.700 0.213 0.000 2.400 131 S HA -0.182 4.319 4.470 0.052 0.000 0.232 131 S C 1.667 176.344 174.600 0.129 0.000 1.025 131 S CA 1.569 59.857 58.200 0.147 0.000 0.993 131 S CB -0.159 63.093 63.200 0.087 0.000 0.808 131 S HN 0.269 nan 8.310 nan 0.000 0.478 132 D N -0.104 120.387 120.400 0.151 0.000 2.355 132 D HA 0.121 4.792 4.640 0.052 0.000 0.218 132 D C -0.008 176.391 176.300 0.165 0.000 1.004 132 D CA 0.027 54.111 54.000 0.139 0.000 0.880 132 D CB 0.085 40.946 40.800 0.102 0.000 0.911 132 D HN 0.699 nan 8.370 nan 0.000 0.528 133 W N 0.824 122.080 121.300 -0.074 0.000 2.639 133 W HA 0.531 5.202 4.660 0.017 0.000 0.347 133 W C -1.185 175.139 176.519 -0.326 0.000 1.067 133 W CA -0.607 56.526 57.345 -0.353 0.000 1.218 133 W CB 1.112 30.410 29.460 -0.271 0.000 1.393 133 W HN -0.317 nan 8.180 nan 0.000 0.557 134 E N 4.701 124.046 120.200 -1.424 0.000 2.321 134 E HA 0.242 4.623 4.350 0.052 0.000 0.278 134 E C -2.619 172.986 176.600 -1.659 0.000 0.902 134 E CA -2.133 53.325 56.400 -1.570 0.000 0.758 134 E CB 2.844 32.089 29.700 -0.759 0.000 1.213 134 E HN 0.102 nan 8.360 nan 0.000 0.426 135 P HA 0.282 nan 4.420 nan 0.000 0.292 135 P C -0.791 176.149 177.300 -0.600 0.000 1.326 135 P CA -0.282 62.236 63.100 -0.970 0.000 0.787 135 P CB 0.561 31.595 31.700 -1.110 0.000 0.903 136 L N 4.064 125.021 121.223 -0.443 0.000 2.317 136 L HA 0.513 4.885 4.340 0.052 0.000 0.281 136 L C 0.133 176.886 176.870 -0.196 0.000 1.024 136 L CA -1.136 53.535 54.840 -0.282 0.000 0.810 136 L CB 1.667 43.584 42.059 -0.238 0.000 1.240 136 L HN 0.234 nan 8.230 nan 0.000 0.427 137 L N 4.111 125.271 121.223 -0.105 0.000 2.317 137 L HA 0.714 5.085 4.340 0.052 0.000 0.281 137 L C -0.795 176.120 176.870 0.075 0.000 1.024 137 L CA -0.248 54.596 54.840 0.005 0.000 0.810 137 L CB 1.870 43.973 42.059 0.074 0.000 1.240 137 L HN 0.287 nan 8.230 nan 0.000 0.427 138 V N 5.253 125.248 119.914 0.134 0.000 2.686 138 V HA 0.520 4.671 4.120 0.052 0.000 0.306 138 V C -0.810 175.414 176.094 0.218 0.000 1.065 138 V CA -0.700 61.695 62.300 0.159 0.000 0.894 138 V CB 2.251 34.145 31.823 0.118 0.000 1.004 138 V HN 0.503 nan 8.190 nan 0.000 0.424 139 V N 3.304 123.311 119.914 0.155 0.000 2.435 139 V HA 0.840 4.991 4.120 0.052 0.000 0.290 139 V C 0.622 176.699 176.094 -0.028 0.000 1.030 139 V CA -0.198 62.085 62.300 -0.027 0.000 0.881 139 V CB 1.746 33.486 31.823 -0.138 0.000 0.983 139 V HN 0.981 nan 8.190 nan 0.000 0.445 140 G N 2.847 111.503 108.800 -0.239 0.000 2.452 140 G HA2 0.671 4.662 3.960 0.052 0.000 0.324 140 G HA3 0.671 4.662 3.960 0.052 0.000 0.324 140 G C -1.155 173.369 174.900 -0.627 0.000 1.214 140 G CA -0.425 44.206 45.100 -0.783 0.000 0.947 140 G HN 0.694 nan 8.290 nan 0.000 0.478 141 E N 1.528 121.371 120.200 -0.594 0.000 2.191 141 E HA 0.462 4.843 4.350 0.052 0.000 0.263 141 E C -0.897 175.468 176.600 -0.391 0.000 0.881 141 E CA -0.605 55.560 56.400 -0.392 0.000 0.757 141 E CB 1.875 31.413 29.700 -0.268 0.000 1.147 141 E HN 0.218 nan 8.360 nan 0.000 0.414 142 V N 4.130 123.855 119.914 -0.315 0.000 2.432 142 V HA 0.292 4.443 4.120 0.052 0.000 0.275 142 V C 0.001 175.974 176.094 -0.202 0.000 1.043 142 V CA -0.180 61.949 62.300 -0.285 0.000 0.925 142 V CB 1.482 33.163 31.823 -0.237 0.000 0.985 142 V HN 0.737 nan 8.190 nan 0.000 0.466 143 T N 6.124 120.560 114.554 -0.197 0.000 2.809 143 T HA 0.429 4.810 4.350 0.052 0.000 0.284 143 T C -0.227 174.407 174.700 -0.111 0.000 0.992 143 T CA -0.659 61.360 62.100 -0.135 0.000 0.957 143 T CB 1.133 69.929 68.868 -0.121 0.000 0.942 143 T HN 0.576 nan 8.240 nan 0.000 0.439 144 K N 1.710 122.061 120.400 -0.081 0.000 2.168 144 K HA 0.841 5.192 4.320 0.052 0.000 0.239 144 K C -0.243 176.330 176.600 -0.044 0.000 0.999 144 K CA -0.756 55.495 56.287 -0.059 0.000 0.900 144 K CB 1.537 34.006 32.500 -0.051 0.000 1.111 144 K HN 0.780 nan 8.250 nan 0.000 0.452 145 S N -1.197 114.484 115.700 -0.033 0.000 2.633 145 S HA 0.599 5.100 4.470 0.052 0.000 0.271 145 S C -1.975 172.613 174.600 -0.020 0.000 1.112 145 S CA -1.112 57.073 58.200 -0.025 0.000 0.828 145 S CB 1.181 64.366 63.200 -0.024 0.000 1.086 145 S HN 0.669 nan 8.310 nan 0.000 0.461 146 A N 0.835 123.645 122.820 -0.017 0.000 2.375 146 A HA 0.938 5.289 4.320 0.052 0.000 0.295 146 A C 0.377 177.953 177.584 -0.013 0.000 1.066 146 A CA -0.317 51.710 52.037 -0.015 0.000 0.722 146 A CB 0.848 19.838 19.000 -0.017 0.000 1.206 146 A HN 2.050 nan 8.150 nan 0.000 0.435 147 A N 2.178 124.991 122.820 -0.011 0.000 2.275 147 A HA 0.342 4.693 4.320 0.052 0.000 0.276 147 A C 0.619 178.197 177.584 -0.010 0.000 1.232 147 A CA -0.091 51.940 52.037 -0.010 0.000 0.814 147 A CB -0.231 18.764 19.000 -0.009 0.000 1.145 147 A HN 0.990 nan 8.150 nan 0.000 0.508 148 N N 0.248 118.942 118.700 -0.009 0.000 2.396 148 N HA 0.232 5.003 4.740 0.052 0.000 0.287 148 N C 0.933 176.437 175.510 -0.010 0.000 1.316 148 N CA 0.422 53.467 53.050 -0.009 0.000 0.972 148 N CB 0.067 38.550 38.487 -0.007 0.000 1.341 148 N HN 1.256 nan 8.380 nan 0.000 0.487 149 G N 2.091 110.885 108.800 -0.011 0.000 3.444 149 G HA2 -0.343 3.648 3.960 0.052 0.000 0.222 149 G HA3 -0.343 3.648 3.960 0.052 0.000 0.222 149 G C 0.118 175.009 174.900 -0.015 0.000 1.358 149 G CA 0.185 45.278 45.100 -0.012 0.000 0.880 149 G HN 0.519 nan 8.290 nan 0.000 0.555 150 K N 2.673 123.064 120.400 -0.016 0.000 2.401 150 K HA 0.574 4.925 4.320 0.052 0.000 0.278 150 K C 0.472 177.060 176.600 -0.020 0.000 1.018 150 K CA 0.460 56.735 56.287 -0.019 0.000 0.981 150 K CB 0.786 33.275 32.500 -0.020 0.000 0.933 150 K HN 0.393 nan 8.250 nan 0.000 0.477 151 T N 1.940 116.480 114.554 -0.024 0.000 2.882 151 T HA 0.488 4.869 4.350 0.052 0.000 0.287 151 T C 0.047 174.735 174.700 -0.019 0.000 0.992 151 T CA -0.776 61.310 62.100 -0.023 0.000 1.076 151 T CB 0.988 69.839 68.868 -0.028 0.000 0.961 151 T HN 0.697 nan 8.240 nan 0.000 0.490 152 T N -1.192 113.355 114.554 -0.011 0.000 2.901 152 T HA 0.859 5.240 4.350 0.052 0.000 0.293 152 T C -0.935 173.772 174.700 0.012 0.000 1.084 152 T CA -1.052 61.053 62.100 0.008 0.000 1.008 152 T CB 1.970 70.845 68.868 0.012 0.000 1.170 152 T HN 0.851 nan 8.240 nan 0.000 0.509 153 A N 1.110 123.963 122.820 0.056 0.000 2.556 153 A HA 0.936 5.287 4.320 0.052 0.000 0.294 153 A C -0.099 177.486 177.584 0.001 0.000 1.091 153 A CA -0.775 51.263 52.037 0.002 0.000 0.704 153 A CB 1.537 20.515 19.000 -0.037 0.000 1.300 153 A HN 1.494 nan 8.150 nan 0.000 0.406 154 T N -1.166 113.301 114.554 -0.145 0.000 2.916 154 T HA 0.805 5.186 4.350 0.052 0.000 0.292 154 T C -0.645 173.810 174.700 -0.409 0.000 1.055 154 T CA -0.548 61.433 62.100 -0.198 0.000 1.009 154 T CB 1.170 69.985 68.868 -0.089 0.000 1.118 154 T HN 0.573 nan 8.240 nan 0.000 0.497 155 I N 1.654 121.952 120.570 -0.455 0.000 2.466 155 I HA 0.444 4.645 4.170 0.052 0.000 0.289 155 I C -0.171 175.656 176.117 -0.483 0.000 1.026 155 I CA -0.911 60.054 61.300 -0.560 0.000 1.078 155 I CB 2.178 39.778 38.000 -0.666 0.000 1.249 155 I HN 0.743 nan 8.210 nan 0.000 0.429 156 S N 5.936 121.324 115.700 -0.521 0.000 2.429 156 S HA 0.497 4.998 4.470 0.052 0.000 0.302 156 S C -1.362 172.943 174.600 -0.493 0.000 1.115 156 S CA -0.430 57.560 58.200 -0.350 0.000 1.095 156 S CB 0.403 63.481 63.200 -0.204 0.000 0.987 156 S HN 0.432 nan 8.310 nan 0.000 0.474 157 W N 3.334 124.616 121.300 -0.031 0.000 2.391 157 W HA 0.592 5.282 4.660 0.051 0.000 0.311 157 W C 0.965 177.470 176.519 -0.023 0.000 1.087 157 W CA -0.713 56.617 57.345 -0.026 0.000 1.209 157 W CB 1.079 30.534 29.460 -0.008 0.000 1.273 157 W HN 0.893 nan 8.180 nan 0.000 0.482 158 G N 1.146 110.061 108.800 0.192 0.000 2.588 158 G HA2 0.513 4.504 3.960 0.052 0.000 0.281 158 G HA3 0.513 4.504 3.960 0.052 0.000 0.281 158 G C -0.515 174.454 174.900 0.116 0.000 1.236 158 G CA -0.798 44.369 45.100 0.111 0.000 0.969 158 G HN 0.516 nan 8.290 nan 0.000 0.504 159 K N 0.295 120.737 120.400 0.070 0.000 2.218 159 K HA 0.584 4.935 4.320 0.052 0.000 0.276 159 K C -2.274 174.351 176.600 0.043 0.000 1.022 159 K CA -1.308 55.007 56.287 0.047 0.000 0.946 159 K CB -0.106 32.411 32.500 0.028 0.000 1.000 159 K HN 0.511 nan 8.250 nan 0.000 0.468 160 P HA 0.296 nan 4.420 nan 0.000 0.269 160 P C -0.954 176.341 177.300 -0.008 0.000 1.209 160 P CA -0.518 62.580 63.100 -0.005 0.000 0.776 160 P CB 0.961 32.630 31.700 -0.051 0.000 0.876 161 V N 1.794 121.705 119.914 -0.004 0.000 2.487 161 V HA 0.307 4.459 4.120 0.052 0.000 0.298 161 V C 0.226 176.290 176.094 -0.049 0.000 1.028 161 V CA -0.576 61.725 62.300 0.002 0.000 0.860 161 V CB 1.797 33.660 31.823 0.066 0.000 0.991 161 V HN 0.574 nan 8.190 nan 0.000 0.427 162 S N 4.265 119.918 115.700 -0.078 0.000 2.523 162 S HA 0.442 4.943 4.470 0.052 0.000 0.275 162 S C 0.604 175.154 174.600 -0.084 0.000 1.281 162 S CA -0.472 57.637 58.200 -0.152 0.000 1.050 162 S CB 0.424 63.512 63.200 -0.187 0.000 0.937 162 S HN 0.622 nan 8.310 nan 0.000 0.492 163 L N 4.716 125.871 121.223 -0.114 0.000 2.667 163 L HA 0.256 4.627 4.340 0.052 0.000 0.232 163 L C 2.088 179.039 176.870 0.136 0.000 1.138 163 L CA -0.062 54.803 54.840 0.042 0.000 0.921 163 L CB -0.245 41.843 42.059 0.048 0.000 1.180 163 L HN 0.669 nan 8.230 nan 0.000 0.487 164 K N 1.862 122.239 120.400 -0.038 0.000 2.063 164 K HA -0.136 4.215 4.320 0.052 0.000 0.208 164 K C -0.666 176.069 176.600 0.225 0.000 1.048 164 K CA 1.502 57.816 56.287 0.046 0.000 0.928 164 K CB -0.543 31.837 32.500 -0.201 0.000 0.713 164 K HN 0.135 nan 8.250 nan 0.000 0.442 165 P HA -0.096 nan 4.420 nan 0.000 0.225 165 P C 0.424 177.852 177.300 0.214 0.000 1.148 165 P CA 0.993 64.187 63.100 0.156 0.000 0.779 165 P CB 0.082 31.845 31.700 0.105 0.000 0.780 166 L N -3.267 118.135 121.223 0.299 0.000 2.567 166 L HA 0.155 4.527 4.340 0.052 0.000 0.225 166 L C 0.782 177.959 176.870 0.511 0.000 1.119 166 L CA -0.267 54.797 54.840 0.373 0.000 0.871 166 L CB -0.425 41.878 42.059 0.407 0.000 1.036 166 L HN -0.073 nan 8.230 nan 0.000 0.459 167 F N 3.766 123.889 119.950 0.288 0.000 2.444 167 F HA 0.401 4.950 4.527 0.037 0.000 0.360 167 F C -1.900 173.852 175.800 -0.079 0.000 1.106 167 F CA -3.784 54.294 58.000 0.129 0.000 1.170 167 F CB 0.182 39.426 39.000 0.406 0.000 1.113 167 F HN -0.173 nan 8.300 nan 0.000 0.521 168 P HA 0.167 nan 4.420 nan 0.000 0.269 168 P C -0.161 176.616 177.300 -0.872 0.000 1.215 168 P CA 0.019 62.714 63.100 -0.674 0.000 0.780 168 P CB 0.770 31.906 31.700 -0.940 0.000 0.898 169 A N 1.680 124.186 122.820 -0.524 0.000 2.067 169 A HA -0.014 4.337 4.320 0.052 0.000 0.217 169 A C 0.770 178.097 177.584 -0.428 0.000 1.156 169 A CA 1.038 52.835 52.037 -0.400 0.000 0.683 169 A CB -0.501 18.374 19.000 -0.208 0.000 0.808 169 A HN 0.716 nan 8.150 nan 0.000 0.455 170 E N -2.089 117.801 120.200 -0.518 0.000 2.390 170 E HA 0.588 4.969 4.350 0.052 0.000 0.277 170 E C -1.875 174.399 176.600 -0.543 0.000 0.939 170 E CA -0.843 55.319 56.400 -0.397 0.000 0.769 170 E CB 0.954 30.535 29.700 -0.199 0.000 1.251 170 E HN 0.069 nan 8.360 nan 0.000 0.450 171 F N 1.282 121.176 119.950 -0.093 0.000 2.507 171 F HA 0.213 4.780 4.527 0.066 0.000 0.328 171 F C -0.222 175.529 175.800 -0.082 0.000 1.136 171 F CA -0.836 57.118 58.000 -0.076 0.000 0.930 171 F CB 1.793 40.773 39.000 -0.033 0.000 1.166 171 F HN 0.704 nan 8.300 nan 0.000 0.436 172 D N 3.158 123.630 120.400 0.120 0.000 2.779 172 D HA -0.159 4.512 4.640 0.052 0.000 0.223 172 D C 0.954 177.262 176.300 0.012 0.000 1.227 172 D CA 2.081 56.105 54.000 0.039 0.000 0.653 172 D CB -0.610 40.193 40.800 0.006 0.000 0.973 172 D HN 0.984 nan 8.370 nan 0.000 0.402 173 G N -0.336 108.466 108.800 0.003 0.000 2.729 173 G HA2 -0.334 3.657 3.960 0.052 0.000 0.216 173 G HA3 -0.334 3.657 3.960 0.052 0.000 0.216 173 G C 0.347 175.244 174.900 -0.005 0.000 1.252 173 G CA -0.183 44.913 45.100 -0.007 0.000 0.751 173 G HN 0.497 nan 8.290 nan 0.000 0.527 174 I N 3.343 123.926 120.570 0.022 0.000 2.845 174 I HA 0.188 4.389 4.170 0.052 0.000 0.290 174 I C 1.085 177.219 176.117 0.028 0.000 1.202 174 I CA 0.441 61.771 61.300 0.050 0.000 1.406 174 I CB 0.156 38.215 38.000 0.100 0.000 1.383 174 I HN 0.266 nan 8.210 nan 0.000 0.549 175 L N 7.069 128.295 121.223 0.005 0.000 2.315 175 L HA 0.227 4.598 4.340 0.052 0.000 0.283 175 L C 0.906 177.772 176.870 -0.006 0.000 1.089 175 L CA -0.561 54.258 54.840 -0.035 0.000 0.833 175 L CB 0.034 42.074 42.059 -0.032 0.000 1.170 175 L HN 0.715 nan 8.230 nan 0.000 0.442 176 T N -0.524 113.971 114.554 -0.098 0.000 2.899 176 T HA 0.227 4.609 4.350 0.052 0.000 0.295 176 T C 0.458 175.173 174.700 0.024 0.000 1.033 176 T CA -0.528 61.535 62.100 -0.061 0.000 1.084 176 T CB 2.566 71.117 68.868 -0.529 0.000 0.979 176 T HN 0.704 nan 8.240 nan 0.000 0.532 177 K N 0.427 120.914 120.400 0.145 0.000 2.418 177 K HA 0.299 4.650 4.320 0.052 0.000 0.208 177 K C 0.159 176.770 176.600 0.019 0.000 1.261 177 K CA -0.078 56.266 56.287 0.095 0.000 0.874 177 K CB 0.831 33.343 32.500 0.019 0.000 1.451 177 K HN 0.839 nan 8.250 nan 0.000 0.466 178 E N -0.911 119.217 120.200 -0.120 0.000 2.445 178 E HA 0.326 4.707 4.350 0.052 0.000 0.279 178 E C -1.637 174.699 176.600 -0.439 0.000 1.018 178 E CA -0.927 54.886 56.400 -0.979 0.000 0.816 178 E CB 2.208 31.290 29.700 -1.030 0.000 1.356 178 E HN 0.125 nan 8.360 nan 0.000 0.462 179 F N -1.268 118.167 119.950 -0.859 0.000 2.645 179 F HA 0.846 5.398 4.527 0.042 0.000 0.310 179 F C -1.860 173.875 175.800 -0.109 0.000 1.102 179 F CA -0.739 57.101 58.000 -0.267 0.000 0.952 179 F CB 1.061 39.861 39.000 -0.333 0.000 1.326 179 F HN 0.272 nan 8.300 nan 0.000 0.456 180 V N 0.998 120.904 119.914 -0.015 0.000 3.147 180 V HA 0.751 4.902 4.120 0.052 0.000 0.306 180 V C 0.321 176.429 176.094 0.024 0.000 1.209 180 V CA -0.496 61.692 62.300 -0.187 0.000 1.023 180 V CB 2.049 33.587 31.823 -0.475 0.000 1.059 180 V HN 1.274 nan 8.190 nan 0.000 0.435 181 G N 0.738 109.494 108.800 -0.072 0.000 2.690 181 G HA2 0.373 4.364 3.960 0.052 0.000 0.239 181 G HA3 0.373 4.364 3.960 0.052 0.000 0.239 181 G C 1.085 176.001 174.900 0.028 0.000 1.233 181 G CA 0.312 45.383 45.100 -0.047 0.000 0.847 181 G HN 1.276 nan 8.290 nan 0.000 0.588 182 G N -1.787 107.073 108.800 0.100 0.000 2.744 182 G HA2 0.301 4.292 3.960 0.052 0.000 0.211 182 G HA3 0.301 4.292 3.960 0.052 0.000 0.211 182 G C 0.319 175.279 174.900 0.099 0.000 1.143 182 G CA 0.767 45.941 45.100 0.123 0.000 0.788 182 G HN 1.537 nan 8.290 nan 0.000 0.534 183 V N -1.369 118.598 119.914 0.088 0.000 3.322 183 V HA 0.267 4.418 4.120 0.052 0.000 0.477 183 V C 0.640 176.799 176.094 0.108 0.000 0.682 183 V CA 0.439 62.793 62.300 0.091 0.000 2.020 183 V CB -1.313 30.571 31.823 0.102 0.000 2.473 183 V HN 2.026 nan 8.190 nan 0.000 0.500 184 G N 2.660 111.534 108.800 0.123 0.000 2.447 184 G HA2 0.489 4.481 3.960 0.052 0.000 0.220 184 G HA3 0.489 4.481 3.960 0.052 0.000 0.220 184 G C -0.099 174.901 174.900 0.167 0.000 1.261 184 G CA -0.057 45.122 45.100 0.132 0.000 1.000 184 G HN 2.495 nan 8.290 nan 0.000 0.515 185 A N -0.155 122.764 122.820 0.165 0.000 2.362 185 A HA 0.930 5.281 4.320 0.052 0.000 0.276 185 A C 0.809 178.500 177.584 0.178 0.000 1.153 185 A CA 1.416 53.558 52.037 0.175 0.000 0.813 185 A CB 0.344 19.439 19.000 0.159 0.000 1.081 185 A HN 2.469 nan 8.150 nan 0.000 0.507 186 A N 2.498 125.429 122.820 0.185 0.000 3.200 186 A HA 0.934 5.285 4.320 0.052 0.000 0.208 186 A C 0.103 177.742 177.584 0.092 0.000 1.360 186 A CA -0.062 52.070 52.037 0.157 0.000 0.892 186 A CB 0.391 19.511 19.000 0.199 0.000 1.600 186 A HN 1.641 nan 8.150 nan 0.000 0.501 187 I N -3.617 116.975 120.570 0.037 0.000 3.279 187 I HA 0.732 4.933 4.170 0.052 0.000 0.315 187 I C -1.513 174.591 176.117 -0.022 0.000 1.187 187 I CA -1.130 60.184 61.300 0.023 0.000 0.953 187 I CB 1.915 39.936 38.000 0.035 0.000 1.279 187 I HN 0.270 nan 8.210 nan 0.000 0.465 188 V N 2.761 122.669 119.914 -0.009 0.000 2.370 188 V HA 0.675 4.826 4.120 0.052 0.000 0.283 188 V C 0.830 176.914 176.094 -0.016 0.000 1.023 188 V CA -0.330 61.953 62.300 -0.029 0.000 0.857 188 V CB 0.956 32.769 31.823 -0.017 0.000 0.985 188 V HN 0.930 nan 8.190 nan 0.000 0.443 189 A N 3.792 126.597 122.820 -0.026 0.000 2.366 189 A HA 0.387 4.738 4.320 0.052 0.000 0.250 189 A C 1.627 179.195 177.584 -0.026 0.000 1.099 189 A CA 0.394 52.416 52.037 -0.025 0.000 0.794 189 A CB 0.212 19.188 19.000 -0.041 0.000 1.056 189 A HN 1.223 nan 8.150 nan 0.000 0.499 190 S N 0.341 116.025 115.700 -0.028 0.000 2.442 190 S HA -0.192 4.310 4.470 0.052 0.000 0.236 190 S C 1.042 175.624 174.600 -0.030 0.000 1.007 190 S CA 1.354 59.538 58.200 -0.028 0.000 0.965 190 S CB -0.607 62.572 63.200 -0.035 0.000 0.773 190 S HN 0.930 nan 8.310 nan 0.000 0.504 191 N N 1.204 119.883 118.700 -0.035 0.000 2.383 191 N HA 0.239 5.010 4.740 0.052 0.000 0.192 191 N C 1.229 176.718 175.510 -0.034 0.000 1.141 191 N CA 0.638 53.667 53.050 -0.034 0.000 0.851 191 N CB -0.505 37.958 38.487 -0.039 0.000 0.976 191 N HN 0.590 nan 8.380 nan 0.000 0.465 192 G N -0.441 108.338 108.800 -0.035 0.000 2.199 192 G HA2 -0.317 3.674 3.960 0.052 0.000 0.254 192 G HA3 -0.317 3.674 3.960 0.052 0.000 0.254 192 G C -0.258 174.605 174.900 -0.061 0.000 0.982 192 G CA -0.009 45.066 45.100 -0.042 0.000 0.632 192 G HN 0.500 nan 8.290 nan 0.000 0.529 193 N N 0.678 119.347 118.700 -0.053 0.000 2.407 193 N HA 0.356 5.128 4.740 0.052 0.000 0.250 193 N C 0.803 176.265 175.510 -0.081 0.000 1.236 193 N CA 0.173 53.192 53.050 -0.051 0.000 0.879 193 N CB 0.408 38.891 38.487 -0.006 0.000 1.088 193 N HN 0.404 nan 8.380 nan 0.000 0.450 194 L N 1.591 122.725 121.223 -0.149 0.000 2.319 194 L HA 0.285 4.656 4.340 0.052 0.000 0.280 194 L C -0.231 176.632 176.870 -0.012 0.000 1.099 194 L CA -0.517 54.216 54.840 -0.178 0.000 0.828 194 L CB 0.514 42.371 42.059 -0.336 0.000 1.150 194 L HN 0.109 nan 8.230 nan 0.000 0.442 195 V N 4.429 124.319 119.914 -0.040 0.000 2.380 195 V HA 0.326 4.477 4.120 0.052 0.000 0.286 195 V C -0.767 175.360 176.094 0.055 0.000 1.015 195 V CA -0.528 61.819 62.300 0.079 0.000 0.834 195 V CB 1.221 33.080 31.823 0.061 0.000 1.009 195 V HN 0.454 nan 8.190 nan 0.000 0.428 196 Y N 6.567 126.995 120.300 0.214 0.000 2.331 196 Y HA 0.490 5.072 4.550 0.054 0.000 0.338 196 Y C -2.064 173.923 175.900 0.145 0.000 0.992 196 Y CA -2.609 55.577 58.100 0.143 0.000 1.121 196 Y CB 2.740 41.231 38.460 0.051 0.000 1.184 196 Y HN 0.420 nan 8.280 nan 0.000 0.469 197 P HA 0.190 nan 4.420 nan 0.000 0.285 197 P C -1.078 176.374 177.300 0.253 0.000 1.259 197 P CA -0.182 63.086 63.100 0.281 0.000 0.794 197 P CB 1.885 33.734 31.700 0.248 0.000 0.940 198 V N 0.890 120.945 119.914 0.235 0.000 3.074 198 V HA 0.664 4.816 4.120 0.052 0.000 0.314 198 V C -0.564 175.639 176.094 0.181 0.000 1.117 198 V CA -1.098 61.325 62.300 0.205 0.000 1.014 198 V CB 1.826 33.772 31.823 0.205 0.000 1.057 198 V HN 0.613 nan 8.190 nan 0.000 0.438 199 Q N 1.859 121.771 119.800 0.187 0.000 2.333 199 Q HA 0.796 5.167 4.340 0.052 0.000 0.267 199 Q C -1.432 174.684 176.000 0.193 0.000 1.012 199 Q CA -0.712 55.191 55.803 0.166 0.000 0.824 199 Q CB 2.532 31.425 28.738 0.260 0.000 1.290 199 Q HN 0.763 nan 8.270 nan 0.000 0.449 200 I N 1.706 122.202 120.570 -0.123 0.000 2.433 200 I HA 0.576 4.777 4.170 0.052 0.000 0.292 200 I C -0.654 175.308 176.117 -0.258 0.000 1.001 200 I CA -0.908 60.281 61.300 -0.185 0.000 1.119 200 I CB 2.130 39.791 38.000 -0.566 0.000 1.289 200 I HN 0.816 nan 8.210 nan 0.000 0.438 201 A N 4.668 127.447 122.820 -0.068 0.000 2.292 201 A HA 0.593 4.944 4.320 0.052 0.000 0.319 201 A C -0.600 177.006 177.584 0.036 0.000 1.206 201 A CA -0.621 51.308 52.037 -0.180 0.000 0.835 201 A CB 0.454 19.126 19.000 -0.546 0.000 1.164 201 A HN 0.754 nan 8.150 nan 0.000 0.505 202 D N 2.125 122.605 120.400 0.135 0.000 2.451 202 D HA 0.206 4.877 4.640 0.052 0.000 0.259 202 D C 1.138 177.455 176.300 0.029 0.000 1.201 202 D CA -0.600 53.495 54.000 0.159 0.000 1.028 202 D CB 0.276 41.217 40.800 0.235 0.000 1.095 202 D HN 0.243 nan 8.370 nan 0.000 0.539 203 M N -0.010 119.602 119.600 0.019 0.000 2.117 203 M HA 0.015 4.526 4.480 0.052 0.000 0.262 203 M C 1.993 178.273 176.300 -0.034 0.000 1.065 203 M CA 1.716 57.011 55.300 -0.008 0.000 1.114 203 M CB -1.457 31.139 32.600 -0.007 0.000 1.361 203 M HN 0.722 nan 8.290 nan 0.000 0.408 204 G N -1.091 107.679 108.800 -0.049 0.000 2.956 204 G HA2 0.248 4.239 3.960 0.052 0.000 0.207 204 G HA3 0.248 4.239 3.960 0.052 0.000 0.207 204 G C 1.104 175.950 174.900 -0.091 0.000 1.162 204 G CA 0.585 45.641 45.100 -0.073 0.000 0.796 204 G HN 0.718 nan 8.290 nan 0.000 0.527 205 G N -0.389 108.354 108.800 -0.096 0.000 2.148 205 G HA2 -0.283 3.709 3.960 0.052 0.000 0.254 205 G HA3 -0.283 3.709 3.960 0.052 0.000 0.254 205 G C 0.552 175.371 174.900 -0.134 0.000 0.981 205 G CA 0.036 45.050 45.100 -0.144 0.000 0.670 205 G HN 0.642 nan 8.290 nan 0.000 0.528 206 R N -0.659 119.795 120.500 -0.077 0.000 2.539 206 R HA 0.542 4.913 4.340 0.052 0.000 0.275 206 R C -0.000 176.380 176.300 0.133 0.000 1.077 206 R CA -0.123 55.974 56.100 -0.005 0.000 1.097 206 R CB 1.705 31.927 30.300 -0.130 0.000 1.018 206 R HN 0.202 nan 8.270 nan 0.000 0.483 207 V N 4.561 124.595 119.914 0.200 0.000 2.628 207 V HA 0.738 4.889 4.120 0.052 0.000 0.306 207 V C -1.174 175.168 176.094 0.412 0.000 1.045 207 V CA -0.442 61.962 62.300 0.173 0.000 0.905 207 V CB 1.239 33.087 31.823 0.041 0.000 0.997 207 V HN 0.712 nan 8.190 nan 0.000 0.436 208 F N 2.090 122.129 119.950 0.150 0.000 2.741 208 F HA 0.865 5.421 4.527 0.048 0.000 0.313 208 F C -0.499 175.325 175.800 0.041 0.000 1.153 208 F CA -0.443 57.583 58.000 0.043 0.000 0.931 208 F CB 1.588 40.513 39.000 -0.125 0.000 1.335 208 F HN 0.575 nan 8.300 nan 0.000 0.460 209 T N -1.052 113.544 114.554 0.071 0.000 2.924 209 T HA 0.821 5.202 4.350 0.052 0.000 0.291 209 T C -1.092 173.593 174.700 -0.024 0.000 1.045 209 T CA -0.821 61.316 62.100 0.061 0.000 1.015 209 T CB 2.469 71.491 68.868 0.257 0.000 1.103 209 T HN 0.884 nan 8.240 nan 0.000 0.496 210 K N 0.265 120.750 120.400 0.141 0.000 2.533 210 K HA 0.522 4.873 4.320 0.052 0.000 0.284 210 K C -1.323 175.534 176.600 0.428 0.000 1.025 210 K CA -1.030 55.367 56.287 0.184 0.000 0.900 210 K CB 1.934 34.447 32.500 0.022 0.000 1.519 210 K HN 0.445 nan 8.250 nan 0.000 0.432 211 I N 2.118 122.972 120.570 0.473 0.000 2.359 211 I HA 0.355 4.556 4.170 0.052 0.000 0.294 211 I C -0.283 176.020 176.117 0.310 0.000 0.987 211 I CA -0.378 61.154 61.300 0.387 0.000 1.225 211 I CB 1.289 39.517 38.000 0.380 0.000 1.366 211 I HN 0.599 nan 8.210 nan 0.000 0.466 212 M N 9.033 128.754 119.600 0.201 0.000 2.125 212 M HA 0.412 4.924 4.480 0.052 0.000 0.321 212 M C -1.705 174.784 176.300 0.317 0.000 0.983 212 M CA -0.567 54.709 55.300 -0.041 0.000 0.934 212 M CB 1.263 33.579 32.600 -0.472 0.000 1.542 212 M HN 0.501 nan 8.290 nan 0.000 0.424 213 Y N 1.644 122.073 120.300 0.215 0.000 2.605 213 Y HA 0.843 5.426 4.550 0.055 0.000 0.343 213 Y C -1.198 174.742 175.900 0.067 0.000 1.036 213 Y CA -1.326 56.910 58.100 0.227 0.000 1.065 213 Y CB 1.459 39.968 38.460 0.081 0.000 1.288 213 Y HN 0.550 nan 8.280 nan 0.000 0.481 214 S N 0.472 116.053 115.700 -0.198 0.000 2.532 214 S HA 0.368 4.869 4.470 0.052 0.000 0.299 214 S C -0.434 174.002 174.600 -0.274 0.000 1.105 214 S CA -0.645 57.184 58.200 -0.618 0.000 1.018 214 S CB 1.205 63.477 63.200 -1.547 0.000 1.021 214 S HN 0.849 nan 8.310 nan 0.000 0.483 215 E N 1.893 121.984 120.200 -0.181 0.000 2.479 215 E HA 0.059 4.440 4.350 0.052 0.000 0.193 215 E C -0.437 176.082 176.600 -0.135 0.000 1.049 215 E CA 0.239 56.590 56.400 -0.082 0.000 0.870 215 E CB 0.207 29.907 29.700 -0.000 0.000 0.944 215 E HN 0.744 nan 8.360 nan 0.000 0.492 216 D N -0.675 119.592 120.400 -0.222 0.000 2.895 216 D HA 0.065 4.737 4.640 0.052 0.000 0.350 216 D C -0.601 175.578 176.300 -0.201 0.000 1.389 216 D CA -0.513 53.382 54.000 -0.175 0.000 0.812 216 D CB 0.009 40.721 40.800 -0.146 0.000 1.164 216 D HN -0.244 nan 8.370 nan 0.000 0.455 217 D N 0.072 120.324 120.400 -0.246 0.000 2.870 217 D HA -0.112 4.559 4.640 0.052 0.000 0.228 217 D C 1.361 177.523 176.300 -0.231 0.000 1.147 217 D CA 1.791 55.659 54.000 -0.219 0.000 0.757 217 D CB -1.345 39.426 40.800 -0.049 0.000 1.091 217 D HN 0.759 nan 8.370 nan 0.000 0.429 218 G N -0.969 107.540 108.800 -0.485 0.000 2.176 218 G HA2 -0.408 3.583 3.960 0.052 0.000 0.232 218 G HA3 -0.408 3.583 3.960 0.052 0.000 0.232 218 G C 0.974 175.752 174.900 -0.203 0.000 0.986 218 G CA 0.615 45.479 45.100 -0.393 0.000 0.643 218 G HN 0.492 nan 8.290 nan 0.000 0.522 219 N N 0.228 118.799 118.700 -0.216 0.000 2.106 219 N HA 0.120 4.891 4.740 0.052 0.000 0.188 219 N C 1.391 176.830 175.510 -0.118 0.000 1.029 219 N CA 2.014 55.010 53.050 -0.091 0.000 0.848 219 N CB 0.091 38.531 38.487 -0.079 0.000 1.007 219 N HN 0.761 nan 8.380 nan 0.000 0.423 220 T N -3.360 111.013 114.554 -0.301 0.000 2.916 220 T HA 0.604 4.985 4.350 0.052 0.000 0.292 220 T C -1.361 173.023 174.700 -0.527 0.000 1.055 220 T CA -0.857 61.108 62.100 -0.223 0.000 1.009 220 T CB 1.433 70.234 68.868 -0.113 0.000 1.118 220 T HN 0.102 nan 8.240 nan 0.000 0.497 221 W N 0.307 121.559 121.300 -0.080 0.000 3.032 221 W HA 0.661 5.352 4.660 0.052 0.000 0.335 221 W C -0.494 175.874 176.519 -0.252 0.000 1.154 221 W CA -0.875 56.357 57.345 -0.188 0.000 1.204 221 W CB 2.253 31.628 29.460 -0.142 0.000 1.416 221 W HN 0.600 nan 8.180 nan 0.000 0.521 222 K N 1.927 122.182 120.400 -0.242 0.000 2.422 222 K HA 0.556 4.908 4.320 0.052 0.000 0.251 222 K C -1.529 174.893 176.600 -0.297 0.000 0.933 222 K CA -1.096 55.018 56.287 -0.289 0.000 0.798 222 K CB 2.272 34.426 32.500 -0.575 0.000 1.238 222 K HN 0.205 nan 8.250 nan 0.000 0.428 223 F N 1.608 121.620 119.950 0.103 0.000 2.405 223 F HA 0.324 4.885 4.527 0.057 0.000 0.355 223 F C 0.811 176.751 175.800 0.233 0.000 1.121 223 F CA -0.498 57.617 58.000 0.193 0.000 1.112 223 F CB 1.302 40.490 39.000 0.312 0.000 1.126 223 F HN 0.575 nan 8.300 nan 0.000 0.481 224 A N 3.326 126.409 122.820 0.438 0.000 2.406 224 A HA 0.186 4.538 4.320 0.052 0.000 0.243 224 A C 1.228 178.951 177.584 0.231 0.000 1.082 224 A CA -0.325 51.957 52.037 0.407 0.000 0.786 224 A CB 0.314 19.566 19.000 0.420 0.000 1.029 224 A HN 0.911 nan 8.150 nan 0.000 0.495 225 E N 1.198 121.505 120.200 0.177 0.000 2.152 225 E HA -0.010 4.371 4.350 0.052 0.000 0.192 225 E C 1.245 177.797 176.600 -0.081 0.000 0.983 225 E CA 0.616 57.058 56.400 0.070 0.000 0.818 225 E CB -0.111 29.639 29.700 0.083 0.000 0.758 225 E HN 0.776 nan 8.360 nan 0.000 0.467 226 G N 1.414 110.160 108.800 -0.090 0.000 2.616 226 G HA2 0.332 4.324 3.960 0.052 0.000 0.268 226 G HA3 0.332 4.324 3.960 0.052 0.000 0.268 226 G C -0.090 174.190 174.900 -1.034 0.000 1.213 226 G CA -0.403 44.426 45.100 -0.451 0.000 0.926 226 G HN 0.182 nan 8.290 nan 0.000 0.523 227 R N -1.961 117.618 120.500 -1.534 0.000 2.728 227 R HA 0.585 4.956 4.340 0.052 0.000 0.274 227 R C -0.283 175.090 176.300 -1.544 0.000 1.030 227 R CA -0.495 54.656 56.100 -1.583 0.000 0.876 227 R CB 0.580 30.424 30.300 -0.760 0.000 1.259 227 R HN 0.735 nan 8.270 nan 0.000 0.468 228 S N 0.345 115.374 115.700 -1.117 0.000 2.655 228 S HA 0.338 4.839 4.470 0.052 0.000 0.265 228 S C -0.033 174.321 174.600 -0.410 0.000 1.240 228 S CA -0.874 56.917 58.200 -0.682 0.000 0.986 228 S CB 0.785 63.910 63.200 -0.126 0.000 0.985 228 S HN 0.580 nan 8.310 nan 0.000 0.562 229 K N -0.140 120.193 120.400 -0.112 0.000 2.336 229 K HA 0.187 4.539 4.320 0.052 0.000 0.262 229 K C -0.478 176.057 176.600 -0.109 0.000 0.992 229 K CA 0.071 56.285 56.287 -0.121 0.000 0.927 229 K CB 0.053 32.614 32.500 0.102 0.000 0.956 229 K HN 0.511 nan 8.250 nan 0.000 0.495 230 F N -0.136 119.844 119.950 0.050 0.000 2.545 230 F HA 0.092 4.649 4.527 0.049 0.000 0.348 230 F C 1.729 177.599 175.800 0.116 0.000 1.163 230 F CA 1.398 59.455 58.000 0.096 0.000 1.331 230 F CB 0.574 39.598 39.000 0.040 0.000 1.138 230 F HN 0.813 nan 8.300 nan 0.000 0.602 231 G N 0.120 109.117 108.800 0.328 0.000 2.176 231 G HA2 -0.251 3.740 3.960 0.052 0.000 0.232 231 G HA3 -0.251 3.740 3.960 0.052 0.000 0.232 231 G C -0.367 174.653 174.900 0.200 0.000 0.986 231 G CA -0.348 44.883 45.100 0.217 0.000 0.643 231 G HN 0.762 nan 8.290 nan 0.000 0.522 232 C N 1.853 121.288 119.300 0.225 0.000 2.401 232 C HA 0.888 5.379 4.460 0.052 0.000 0.365 232 C C 0.973 176.087 174.990 0.206 0.000 1.250 232 C CA 0.371 59.522 59.018 0.222 0.000 2.131 232 C CB 0.870 28.769 27.740 0.265 0.000 2.445 232 C HN 1.130 nan 8.230 nan 0.000 0.550 233 S N 0.293 116.112 115.700 0.199 0.000 2.776 233 S HA 0.533 5.034 4.470 0.052 0.000 0.292 233 S C -0.799 173.912 174.600 0.186 0.000 1.187 233 S CA -0.693 57.629 58.200 0.203 0.000 0.834 233 S CB 0.346 63.675 63.200 0.215 0.000 1.199 233 S HN 0.745 nan 8.310 nan 0.000 0.514 234 E N 1.738 122.044 120.200 0.178 0.000 2.024 234 E HA -0.136 4.245 4.350 0.052 0.000 0.171 234 E C -2.234 174.444 176.600 0.130 0.000 1.417 234 E CA 0.478 56.955 56.400 0.129 0.000 0.650 234 E CB -1.225 28.517 29.700 0.071 0.000 1.044 234 E HN 0.449 nan 8.360 nan 0.000 0.308 235 P HA 0.181 nan 4.420 nan 0.000 0.275 235 P C -0.826 176.583 177.300 0.182 0.000 1.227 235 P CA -0.080 63.134 63.100 0.190 0.000 0.781 235 P CB 1.465 33.311 31.700 0.243 0.000 0.906 236 A N 3.097 126.032 122.820 0.191 0.000 2.337 236 A HA 0.636 4.987 4.320 0.052 0.000 0.329 236 A C -0.853 176.924 177.584 0.321 0.000 1.146 236 A CA -0.804 51.382 52.037 0.248 0.000 0.800 236 A CB 1.530 20.696 19.000 0.277 0.000 1.220 236 A HN 0.440 nan 8.150 nan 0.000 0.472 237 V N 3.313 123.402 119.914 0.290 0.000 2.823 237 V HA 0.848 4.999 4.120 0.052 0.000 0.312 237 V C -1.288 174.914 176.094 0.181 0.000 1.072 237 V CA -0.500 61.950 62.300 0.250 0.000 0.937 237 V CB 1.803 33.718 31.823 0.153 0.000 1.013 237 V HN 1.331 nan 8.190 nan 0.000 0.430 238 L N 2.427 123.716 121.223 0.110 0.000 2.491 238 L HA 0.766 5.137 4.340 0.052 0.000 0.254 238 L C -0.787 176.111 176.870 0.046 0.000 1.048 238 L CA -0.661 54.181 54.840 0.003 0.000 0.855 238 L CB 1.752 43.684 42.059 -0.212 0.000 1.466 238 L HN 0.696 nan 8.230 nan 0.000 0.409 239 E N 0.721 120.956 120.200 0.058 0.000 2.166 239 E HA 0.372 4.753 4.350 0.052 0.000 0.275 239 E C -2.023 174.681 176.600 0.174 0.000 0.941 239 E CA -0.693 55.757 56.400 0.083 0.000 0.784 239 E CB 1.421 31.140 29.700 0.031 0.000 1.115 239 E HN 0.687 nan 8.360 nan 0.000 0.399 240 W N 5.786 127.067 121.300 -0.032 0.000 2.756 240 W HA 0.201 4.892 4.660 0.051 0.000 0.333 240 W C -0.945 175.565 176.519 -0.015 0.000 1.025 240 W CA -0.533 56.799 57.345 -0.021 0.000 1.246 240 W CB 0.986 30.439 29.460 -0.011 0.000 1.358 240 W HN 0.797 nan 8.180 nan 0.000 0.444 241 E N 3.383 123.291 120.200 -0.486 0.000 2.269 241 E HA -0.227 4.154 4.350 0.052 0.000 0.223 241 E C 0.972 177.498 176.600 -0.124 0.000 1.244 241 E CA 1.148 57.334 56.400 -0.356 0.000 0.713 241 E CB -1.346 28.113 29.700 -0.402 0.000 1.178 241 E HN 0.976 nan 8.360 nan 0.000 0.370 242 G N -0.016 108.730 108.800 -0.089 0.000 2.143 242 G HA2 -0.344 3.647 3.960 0.052 0.000 0.249 242 G HA3 -0.344 3.647 3.960 0.052 0.000 0.249 242 G C 0.026 174.917 174.900 -0.014 0.000 0.981 242 G CA 0.873 45.944 45.100 -0.047 0.000 0.665 242 G HN 0.305 nan 8.290 nan 0.000 0.528 243 K N -0.737 119.676 120.400 0.021 0.000 2.477 243 K HA 0.711 5.062 4.320 0.052 0.000 0.255 243 K C 0.055 176.680 176.600 0.041 0.000 0.952 243 K CA -0.940 55.366 56.287 0.031 0.000 0.826 243 K CB 1.961 34.498 32.500 0.061 0.000 1.331 243 K HN 0.086 nan 8.250 nan 0.000 0.437 244 L N 3.350 124.565 121.223 -0.014 0.000 2.331 244 L HA 0.430 4.801 4.340 0.052 0.000 0.278 244 L C -0.309 176.552 176.870 -0.016 0.000 1.106 244 L CA -0.466 54.360 54.840 -0.024 0.000 0.824 244 L CB 0.392 42.393 42.059 -0.098 0.000 1.142 244 L HN 0.415 nan 8.230 nan 0.000 0.443 245 I N 4.648 125.259 120.570 0.068 0.000 2.355 245 I HA 0.338 4.539 4.170 0.052 0.000 0.288 245 I C -0.554 175.670 176.117 0.179 0.000 0.999 245 I CA -0.502 60.876 61.300 0.129 0.000 1.163 245 I CB 1.757 39.902 38.000 0.242 0.000 1.316 245 I HN 0.420 nan 8.210 nan 0.000 0.454 246 I N 6.269 126.863 120.570 0.041 0.000 2.330 246 I HA 0.274 4.475 4.170 0.052 0.000 0.289 246 I C 0.100 176.273 176.117 0.092 0.000 1.001 246 I CA -0.182 61.147 61.300 0.049 0.000 1.193 246 I CB 1.004 38.884 38.000 -0.200 0.000 1.345 246 I HN 0.456 nan 8.210 nan 0.000 0.461 247 N N 6.671 125.399 118.700 0.045 0.000 2.511 247 N HA 0.289 5.061 4.740 0.052 0.000 0.249 247 N C -1.224 174.309 175.510 0.038 0.000 0.971 247 N CA -0.367 52.605 53.050 -0.129 0.000 0.938 247 N CB 0.847 38.934 38.487 -0.667 0.000 1.131 247 N HN 0.523 nan 8.380 nan 0.000 0.505 248 N N 1.992 120.759 118.700 0.111 0.000 2.473 248 N HA 0.172 4.943 4.740 0.052 0.000 0.291 248 N C 0.021 175.622 175.510 0.152 0.000 1.083 248 N CA -0.428 52.726 53.050 0.174 0.000 0.951 248 N CB 2.081 40.726 38.487 0.263 0.000 1.164 248 N HN 0.439 nan 8.380 nan 0.000 0.480 249 R N 1.102 121.693 120.500 0.151 0.000 2.537 249 R HA 0.209 4.580 4.340 0.052 0.000 0.280 249 R C -1.046 175.349 176.300 0.159 0.000 1.058 249 R CA 0.054 56.243 56.100 0.149 0.000 1.057 249 R CB 0.375 30.749 30.300 0.124 0.000 0.973 249 R HN 0.273 nan 8.270 nan 0.000 0.438 250 V N 5.137 125.139 119.914 0.148 0.000 2.501 250 V HA 0.103 4.254 4.120 0.052 0.000 0.277 250 V C -0.995 175.169 176.094 0.118 0.000 1.004 250 V CA -0.961 61.420 62.300 0.136 0.000 0.862 250 V CB 1.364 33.261 31.823 0.124 0.000 1.035 250 V HN 0.851 nan 8.190 nan 0.000 0.448 251 D N 3.681 124.154 120.400 0.121 0.000 2.450 251 D HA 0.319 4.990 4.640 0.052 0.000 0.247 251 D C 1.340 177.692 176.300 0.086 0.000 1.162 251 D CA 1.750 55.817 54.000 0.110 0.000 0.879 251 D CB 1.417 42.282 40.800 0.109 0.000 1.163 251 D HN 0.981 nan 8.370 nan 0.000 0.472 252 G N 2.372 111.217 108.800 0.075 0.000 2.148 252 G HA2 -0.314 3.677 3.960 0.052 0.000 0.254 252 G HA3 -0.314 3.677 3.960 0.052 0.000 0.254 252 G C 0.391 175.309 174.900 0.031 0.000 0.981 252 G CA 0.492 45.624 45.100 0.052 0.000 0.670 252 G HN 0.691 nan 8.290 nan 0.000 0.528 253 N N -2.091 116.622 118.700 0.020 0.000 3.261 253 N HA 0.435 5.206 4.740 0.052 0.000 0.248 253 N C -0.106 175.358 175.510 -0.076 0.000 1.498 253 N CA -1.135 51.898 53.050 -0.029 0.000 0.884 253 N CB 0.823 39.311 38.487 0.002 0.000 1.428 253 N HN 0.195 nan 8.380 nan 0.000 0.517 254 R N 0.994 121.356 120.500 -0.230 0.000 2.679 254 R HA 0.273 4.644 4.340 0.052 0.000 0.269 254 R C -0.232 175.990 176.300 -0.131 0.000 1.076 254 R CA -0.072 55.837 56.100 -0.319 0.000 1.160 254 R CB 0.429 30.279 30.300 -0.751 0.000 1.054 254 R HN 0.386 nan 8.270 nan 0.000 0.507 255 R N 1.782 122.255 120.500 -0.046 0.000 2.347 255 R HA 0.144 4.515 4.340 0.052 0.000 0.304 255 R C -0.244 176.120 176.300 0.106 0.000 1.072 255 R CA -0.146 55.987 56.100 0.054 0.000 0.980 255 R CB 0.340 30.671 30.300 0.052 0.000 0.986 255 R HN 0.311 nan 8.270 nan 0.000 0.448 256 L N 3.392 124.682 121.223 0.111 0.000 2.312 256 L HA 0.396 4.767 4.340 0.052 0.000 0.281 256 L C -0.302 176.519 176.870 -0.080 0.000 1.070 256 L CA -0.728 54.109 54.840 -0.005 0.000 0.805 256 L CB 1.412 43.492 42.059 0.035 0.000 1.174 256 L HN 0.288 nan 8.230 nan 0.000 0.434 257 V N 3.091 122.844 119.914 -0.268 0.000 2.588 257 V HA 0.468 4.619 4.120 0.052 0.000 0.304 257 V C -0.933 174.940 176.094 -0.369 0.000 1.042 257 V CA -0.644 61.537 62.300 -0.198 0.000 0.877 257 V CB 1.801 33.528 31.823 -0.160 0.000 0.996 257 V HN 0.428 nan 8.190 nan 0.000 0.425 258 Y N 1.569 121.845 120.300 -0.040 0.000 2.562 258 Y HA 0.657 5.239 4.550 0.054 0.000 0.343 258 Y C 0.267 176.077 175.900 -0.151 0.000 1.025 258 Y CA -0.919 57.142 58.100 -0.064 0.000 1.082 258 Y CB 1.931 40.390 38.460 -0.003 0.000 1.264 258 Y HN 0.555 nan 8.280 nan 0.000 0.478 259 E N 0.417 120.641 120.200 0.040 0.000 2.256 259 E HA 0.606 4.987 4.350 0.052 0.000 0.267 259 E C -1.364 175.187 176.600 -0.080 0.000 0.892 259 E CA -0.979 55.401 56.400 -0.033 0.000 0.775 259 E CB 2.392 32.101 29.700 0.015 0.000 1.207 259 E HN 0.376 nan 8.360 nan 0.000 0.420 260 S N 0.641 116.264 115.700 -0.128 0.000 2.677 260 S HA 0.233 4.734 4.470 0.052 0.000 0.283 260 S C -0.271 174.297 174.600 -0.053 0.000 1.159 260 S CA -0.574 57.562 58.200 -0.107 0.000 1.001 260 S CB 1.235 64.287 63.200 -0.247 0.000 1.032 260 S HN 0.383 nan 8.310 nan 0.000 0.487 261 S N 2.554 118.247 115.700 -0.011 0.000 2.575 261 S HA 0.093 4.594 4.470 0.052 0.000 0.215 261 S C 0.048 174.637 174.600 -0.018 0.000 0.966 261 S CA 0.028 58.224 58.200 -0.008 0.000 0.911 261 S CB -0.138 63.067 63.200 0.008 0.000 0.780 261 S HN 0.868 nan 8.310 nan 0.000 0.514 262 D N -0.068 120.323 120.400 -0.015 0.000 2.963 262 D HA 0.352 5.023 4.640 0.052 0.000 0.361 262 D C 0.252 176.519 176.300 -0.056 0.000 1.317 262 D CA -0.733 53.254 54.000 -0.020 0.000 0.832 262 D CB -0.141 40.669 40.800 0.015 0.000 1.135 262 D HN -0.064 nan 8.370 nan 0.000 0.476 263 M N 1.107 120.640 119.600 -0.112 0.000 2.393 263 M HA -0.153 4.358 4.480 0.052 0.000 0.201 263 M C 1.031 177.248 176.300 -0.137 0.000 0.403 263 M CA 1.110 56.275 55.300 -0.225 0.000 0.471 263 M CB -1.596 30.745 32.600 -0.432 0.000 1.669 263 M HN 1.012 nan 8.290 nan 0.000 0.864 264 G N -0.763 108.041 108.800 0.006 0.000 2.176 264 G HA2 -0.395 3.596 3.960 0.052 0.000 0.253 264 G HA3 -0.395 3.596 3.960 0.052 0.000 0.253 264 G C 0.632 175.755 174.900 0.372 0.000 0.979 264 G CA 0.806 46.054 45.100 0.247 0.000 0.641 264 G HN 0.731 nan 8.290 nan 0.000 0.530 265 K N 0.673 121.194 120.400 0.202 0.000 2.026 265 K HA 0.009 4.360 4.320 0.052 0.000 0.208 265 K C 1.304 178.024 176.600 0.201 0.000 1.048 265 K CA 1.877 58.271 56.287 0.178 0.000 0.929 265 K CB -0.160 32.409 32.500 0.114 0.000 0.713 265 K HN 0.722 nan 8.250 nan 0.000 0.439 266 T N -1.692 113.002 114.554 0.232 0.000 2.848 266 T HA 0.419 4.800 4.350 0.052 0.000 0.285 266 T C -1.210 173.717 174.700 0.377 0.000 0.995 266 T CA -0.975 61.267 62.100 0.238 0.000 0.970 266 T CB 0.877 69.823 68.868 0.130 0.000 0.976 266 T HN 0.098 nan 8.240 nan 0.000 0.441 267 W N 2.003 123.299 121.300 -0.006 0.000 2.606 267 W HA 0.718 5.411 4.660 0.054 0.000 0.332 267 W C -1.016 175.556 176.519 0.089 0.000 1.052 267 W CA -1.128 56.229 57.345 0.021 0.000 1.223 267 W CB 1.850 31.240 29.460 -0.117 0.000 1.383 267 W HN 0.615 nan 8.180 nan 0.000 0.524 268 V N 1.832 121.955 119.914 0.349 0.000 2.686 268 V HA 0.186 4.337 4.120 0.052 0.000 0.306 268 V C -0.189 176.045 176.094 0.233 0.000 1.065 268 V CA -1.484 60.963 62.300 0.246 0.000 0.894 268 V CB 1.770 33.664 31.823 0.118 0.000 1.004 268 V HN 0.506 nan 8.190 nan 0.000 0.424 269 E N 2.950 123.219 120.200 0.116 0.000 2.414 269 E HA 0.302 4.683 4.350 0.052 0.000 0.263 269 E C 0.531 176.983 176.600 -0.246 0.000 1.000 269 E CA -0.014 56.241 56.400 -0.243 0.000 0.914 269 E CB 1.079 30.567 29.700 -0.354 0.000 0.948 269 E HN 0.894 nan 8.360 nan 0.000 0.444 270 A N 6.367 129.020 122.820 -0.278 0.000 3.074 270 A HA 0.100 4.451 4.320 0.052 0.000 0.251 270 A C 1.100 178.533 177.584 -0.251 0.000 1.695 270 A CA -0.138 51.777 52.037 -0.203 0.000 1.343 270 A CB -0.552 18.361 19.000 -0.144 0.000 1.078 270 A HN 0.787 nan 8.150 nan 0.000 0.644 271 L N -0.221 120.776 121.223 -0.377 0.000 2.191 271 L HA -0.124 4.248 4.340 0.052 0.000 0.212 271 L C 2.380 179.122 176.870 -0.213 0.000 1.103 271 L CA 1.343 55.904 54.840 -0.464 0.000 0.769 271 L CB -0.190 41.264 42.059 -1.008 0.000 0.908 271 L HN 0.626 nan 8.230 nan 0.000 0.438 272 G N -1.576 107.169 108.800 -0.092 0.000 3.141 272 G HA2 0.062 4.054 3.960 0.052 0.000 0.218 272 G HA3 0.062 4.054 3.960 0.052 0.000 0.218 272 G C 1.082 176.008 174.900 0.043 0.000 1.170 272 G CA 0.852 46.051 45.100 0.165 0.000 0.769 272 G HN 0.449 nan 8.290 nan 0.000 0.546 273 T N -2.714 111.825 114.554 -0.025 0.000 3.422 273 T HA 0.216 4.597 4.350 0.052 0.000 0.179 273 T C 1.715 176.351 174.700 -0.106 0.000 0.946 273 T CA -0.145 61.905 62.100 -0.083 0.000 1.025 273 T CB 0.105 68.903 68.868 -0.117 0.000 1.298 273 T HN -0.036 nan 8.240 nan 0.000 0.312 274 L N 1.033 122.166 121.223 -0.149 0.000 2.672 274 L HA 0.433 4.804 4.340 0.052 0.000 0.236 274 L C 1.137 177.866 176.870 -0.236 0.000 1.092 274 L CA -0.178 54.530 54.840 -0.221 0.000 0.887 274 L CB 0.527 42.518 42.059 -0.114 0.000 1.168 274 L HN 0.297 nan 8.230 nan 0.000 0.502 275 S N -0.315 115.261 115.700 -0.206 0.000 2.537 275 S HA 0.046 4.548 4.470 0.052 0.000 0.286 275 S C 0.906 175.437 174.600 -0.116 0.000 1.299 275 S CA 0.303 58.378 58.200 -0.208 0.000 1.067 275 S CB -0.264 62.740 63.200 -0.326 0.000 0.864 275 S HN 0.527 nan 8.310 nan 0.000 0.494 276 H N 0.505 119.444 119.070 -0.219 0.000 3.641 276 H HA -0.186 4.401 4.556 0.052 0.000 0.193 276 H C 1.101 176.255 175.328 -0.290 0.000 1.013 276 H CA 0.690 56.615 56.048 -0.205 0.000 1.212 276 H CB -1.649 28.011 29.762 -0.169 0.000 1.089 276 H HN 0.440 nan 8.280 nan 0.000 0.339 277 V N -0.136 119.575 119.914 -0.337 0.000 2.295 277 V HA -0.199 3.953 4.120 0.052 0.000 0.246 277 V C 1.409 177.081 176.094 -0.703 0.000 1.049 277 V CA 1.841 63.747 62.300 -0.657 0.000 1.024 277 V CB -0.129 30.984 31.823 -1.184 0.000 0.648 277 V HN 0.299 nan 8.190 nan 0.000 0.447 278 W N -1.033 120.005 121.300 -0.437 0.000 2.509 278 W HA 0.625 5.316 4.660 0.052 0.000 0.351 278 W C 0.312 176.611 176.519 -0.367 0.000 1.107 278 W CA -0.080 56.967 57.345 -0.497 0.000 1.264 278 W CB 1.250 30.308 29.460 -0.670 0.000 1.312 278 W HN -0.009 nan 8.180 nan 0.000 0.608 279 T N -0.386 114.089 114.554 -0.130 0.000 2.645 279 T HA 0.141 4.522 4.350 0.052 0.000 0.300 279 T C 0.601 175.201 174.700 -0.168 0.000 1.210 279 T CA -0.496 61.522 62.100 -0.136 0.000 1.034 279 T CB 0.693 69.484 68.868 -0.128 0.000 1.537 279 T HN 0.515 nan 8.240 nan 0.000 0.492 280 N N 0.375 119.068 118.700 -0.012 0.000 2.254 280 N HA 0.200 4.971 4.740 0.052 0.000 0.190 280 N C 0.115 175.712 175.510 0.145 0.000 1.107 280 N CA 0.156 53.289 53.050 0.138 0.000 0.869 280 N CB 0.524 39.100 38.487 0.147 0.000 0.983 280 N HN 0.727 nan 8.380 nan 0.000 0.487 281 S N -1.268 114.473 115.700 0.070 0.000 2.686 281 S HA 0.219 4.720 4.470 0.052 0.000 0.273 281 S C -2.845 171.769 174.600 0.023 0.000 1.060 281 S CA -0.775 57.462 58.200 0.062 0.000 0.845 281 S CB 1.489 64.724 63.200 0.058 0.000 1.086 281 S HN -0.290 nan 8.310 nan 0.000 0.461 282 P HA -0.093 nan 4.420 nan 0.000 0.216 282 P C 1.476 178.768 177.300 -0.015 0.000 1.150 282 P CA 2.562 65.661 63.100 -0.002 0.000 0.843 282 P CB -0.291 31.409 31.700 0.001 0.000 0.787 283 T N -6.718 107.832 114.554 -0.007 0.000 3.060 283 T HA 0.177 4.558 4.350 0.052 0.000 0.249 283 T C 1.080 175.769 174.700 -0.018 0.000 1.079 283 T CA 0.388 62.480 62.100 -0.013 0.000 1.013 283 T CB -0.756 68.109 68.868 -0.004 0.000 0.975 283 T HN -0.078 nan 8.240 nan 0.000 0.518 284 S N 1.962 117.653 115.700 -0.016 0.000 3.146 284 S HA -0.196 4.305 4.470 0.052 0.000 0.285 284 S C 0.887 175.484 174.600 -0.005 0.000 1.293 284 S CA 1.079 59.264 58.200 -0.024 0.000 1.137 284 S CB -1.929 61.230 63.200 -0.069 0.000 1.357 284 S HN 0.948 nan 8.310 nan 0.000 0.678 285 N N 0.566 119.273 118.700 0.011 0.000 2.251 285 N HA 0.087 4.858 4.740 0.052 0.000 0.217 285 N C 0.001 175.537 175.510 0.044 0.000 1.124 285 N CA -0.242 52.821 53.050 0.023 0.000 0.843 285 N CB 0.230 38.727 38.487 0.017 0.000 1.024 285 N HN 0.394 nan 8.380 nan 0.000 0.501 286 Q N 0.160 119.994 119.800 0.056 0.000 2.240 286 Q HA 0.194 4.566 4.340 0.052 0.000 0.260 286 Q C -0.380 175.684 176.000 0.107 0.000 1.018 286 Q CA -0.660 55.192 55.803 0.081 0.000 0.898 286 Q CB 1.360 30.147 28.738 0.082 0.000 1.301 286 Q HN 0.357 nan 8.270 nan 0.000 0.469 287 Q N 1.171 121.052 119.800 0.134 0.000 2.304 287 Q HA -0.093 4.279 4.340 0.052 0.000 0.301 287 Q C -0.528 175.576 176.000 0.172 0.000 1.063 287 Q CA 0.427 56.326 55.803 0.160 0.000 0.947 287 Q CB 0.565 29.427 28.738 0.208 0.000 1.201 287 Q HN 0.403 nan 8.270 nan 0.000 0.389 288 D N 1.453 121.956 120.400 0.172 0.000 2.478 288 D HA 0.410 5.081 4.640 0.052 0.000 0.274 288 D C -1.250 175.155 176.300 0.175 0.000 1.234 288 D CA -0.573 53.547 54.000 0.199 0.000 1.069 288 D CB 1.209 42.126 40.800 0.194 0.000 1.113 288 D HN 0.592 nan 8.370 nan 0.000 0.571 289 C N 0.617 119.984 119.300 0.113 0.000 3.086 289 C HA 0.373 4.864 4.460 0.052 0.000 0.311 289 C C -0.676 174.152 174.990 -0.269 0.000 1.260 289 C CA -0.685 58.287 59.018 -0.076 0.000 1.426 289 C CB 1.399 29.002 27.740 -0.228 0.000 1.826 289 C HN 0.597 nan 8.230 nan 0.000 0.474 290 Q N 2.570 121.990 119.800 -0.633 0.000 2.432 290 Q HA 0.381 4.752 4.340 0.052 0.000 0.264 290 Q C -0.711 174.992 176.000 -0.496 0.000 1.035 290 Q CA 0.978 56.365 55.803 -0.694 0.000 0.908 290 Q CB 1.072 28.967 28.738 -1.405 0.000 1.280 290 Q HN 0.846 nan 8.270 nan 0.000 0.455 291 S N 1.284 116.800 115.700 -0.307 0.000 2.548 291 S HA 0.430 4.931 4.470 0.052 0.000 0.286 291 S C -1.069 173.419 174.600 -0.187 0.000 1.098 291 S CA -0.632 57.362 58.200 -0.342 0.000 0.930 291 S CB 1.678 64.630 63.200 -0.414 0.000 1.070 291 S HN 0.726 nan 8.310 nan 0.000 0.480 292 S N 1.462 117.056 115.700 -0.177 0.000 2.617 292 S HA 0.817 5.318 4.470 0.052 0.000 0.283 292 S C -1.038 173.655 174.600 0.155 0.000 1.189 292 S CA -0.490 57.722 58.200 0.020 0.000 1.036 292 S CB 0.797 64.023 63.200 0.045 0.000 1.014 292 S HN 0.538 nan 8.310 nan 0.000 0.522 293 F N 1.797 121.783 119.950 0.061 0.000 2.831 293 F HA 0.595 5.152 4.527 0.051 0.000 0.346 293 F C -1.595 174.285 175.800 0.133 0.000 1.224 293 F CA -1.010 57.072 58.000 0.137 0.000 1.048 293 F CB 1.188 40.294 39.000 0.177 0.000 1.339 293 F HN 0.567 nan 8.300 nan 0.000 0.514 294 V N 4.560 124.454 119.914 -0.034 0.000 2.760 294 V HA 0.816 4.967 4.120 0.052 0.000 0.309 294 V C -0.339 175.722 176.094 -0.055 0.000 1.077 294 V CA -0.876 61.408 62.300 -0.026 0.000 0.910 294 V CB 1.779 33.657 31.823 0.092 0.000 1.008 294 V HN 0.919 nan 8.190 nan 0.000 0.424 295 A N 4.076 126.883 122.820 -0.020 0.000 2.301 295 A HA 0.888 5.239 4.320 0.052 0.000 0.298 295 A C -0.278 177.375 177.584 0.115 0.000 1.185 295 A CA -0.266 51.811 52.037 0.066 0.000 0.830 295 A CB 1.050 20.118 19.000 0.114 0.000 1.112 295 A HN 1.605 nan 8.150 nan 0.000 0.508 296 V N -0.419 119.577 119.914 0.137 0.000 3.160 296 V HA 0.892 5.043 4.120 0.052 0.000 0.310 296 V C -0.372 175.801 176.094 0.132 0.000 1.181 296 V CA -0.602 61.784 62.300 0.142 0.000 1.047 296 V CB 1.658 33.535 31.823 0.089 0.000 1.068 296 V HN 0.710 nan 8.190 nan 0.000 0.441 297 T N 2.710 117.353 114.554 0.150 0.000 2.809 297 T HA 0.745 5.127 4.350 0.052 0.000 0.284 297 T C -0.610 174.155 174.700 0.107 0.000 0.992 297 T CA 0.013 62.190 62.100 0.129 0.000 0.957 297 T CB 0.711 69.660 68.868 0.135 0.000 0.942 297 T HN 0.651 nan 8.240 nan 0.000 0.439 298 I N 2.471 123.060 120.570 0.032 0.000 2.466 298 I HA 0.336 4.537 4.170 0.052 0.000 0.289 298 I C 0.296 176.429 176.117 0.027 0.000 1.026 298 I CA -0.750 60.536 61.300 -0.024 0.000 1.078 298 I CB 1.939 39.833 38.000 -0.178 0.000 1.249 298 I HN 0.599 nan 8.210 nan 0.000 0.429 299 E N 4.468 124.698 120.200 0.050 0.000 2.360 299 E HA -0.241 4.140 4.350 0.052 0.000 0.238 299 E C 0.989 177.622 176.600 0.055 0.000 1.186 299 E CA 1.155 57.581 56.400 0.042 0.000 0.719 299 E CB -1.126 28.579 29.700 0.007 0.000 1.236 299 E HN 1.098 nan 8.360 nan 0.000 0.386 300 G N -0.566 108.276 108.800 0.070 0.000 2.189 300 G HA2 -0.432 3.559 3.960 0.052 0.000 0.267 300 G HA3 -0.432 3.559 3.960 0.052 0.000 0.267 300 G C 0.303 175.247 174.900 0.073 0.000 0.975 300 G CA 0.783 45.923 45.100 0.066 0.000 0.644 300 G HN 0.505 nan 8.290 nan 0.000 0.537 301 K N 0.010 120.464 120.400 0.091 0.000 2.206 301 K HA 0.647 4.998 4.320 0.052 0.000 0.264 301 K C 0.285 176.973 176.600 0.147 0.000 0.967 301 K CA -1.158 55.204 56.287 0.125 0.000 0.844 301 K CB 0.716 33.321 32.500 0.174 0.000 1.099 301 K HN 0.060 nan 8.250 nan 0.000 0.441 302 R N 2.885 123.472 120.500 0.145 0.000 2.347 302 R HA 0.206 4.577 4.340 0.052 0.000 0.304 302 R C -0.836 175.719 176.300 0.425 0.000 1.072 302 R CA -0.147 56.066 56.100 0.187 0.000 0.980 302 R CB 0.382 30.677 30.300 -0.007 0.000 0.986 302 R HN 0.475 nan 8.270 nan 0.000 0.448 303 V N 1.062 121.215 119.914 0.400 0.000 3.160 303 V HA 0.655 4.806 4.120 0.052 0.000 0.310 303 V C -0.481 175.775 176.094 0.269 0.000 1.181 303 V CA -1.228 61.312 62.300 0.399 0.000 1.047 303 V CB 2.400 34.411 31.823 0.314 0.000 1.068 303 V HN 0.652 nan 8.190 nan 0.000 0.441 304 M N 2.118 121.796 119.600 0.129 0.000 2.364 304 M HA 0.640 5.152 4.480 0.052 0.000 0.334 304 M C -1.203 175.205 176.300 0.179 0.000 1.107 304 M CA -0.408 54.917 55.300 0.042 0.000 0.988 304 M CB 2.013 34.523 32.600 -0.149 0.000 1.673 304 M HN 0.525 nan 8.290 nan 0.000 0.441 305 L N 2.783 124.106 121.223 0.166 0.000 2.322 305 L HA 0.654 5.025 4.340 0.052 0.000 0.281 305 L C -1.279 175.820 176.870 0.382 0.000 1.014 305 L CA -0.556 54.441 54.840 0.262 0.000 0.815 305 L CB 1.517 43.681 42.059 0.175 0.000 1.247 305 L HN 0.591 nan 8.230 nan 0.000 0.421 306 F N 2.162 122.260 119.950 0.247 0.000 2.547 306 F HA 0.612 5.170 4.527 0.051 0.000 0.316 306 F C -0.242 175.663 175.800 0.176 0.000 1.121 306 F CA -0.333 57.745 58.000 0.131 0.000 0.911 306 F CB 2.034 40.854 39.000 -0.300 0.000 1.179 306 F HN 0.465 nan 8.300 nan 0.000 0.443 307 T N 2.805 117.002 114.554 -0.595 0.000 2.863 307 T HA 0.574 4.955 4.350 0.052 0.000 0.285 307 T C -1.381 172.985 174.700 -0.557 0.000 1.009 307 T CA -0.583 61.314 62.100 -0.338 0.000 0.989 307 T CB 1.716 70.481 68.868 -0.172 0.000 1.004 307 T HN 0.835 nan 8.240 nan 0.000 0.455 308 H N 1.314 120.291 119.070 -0.155 0.000 3.114 308 H HA 0.329 4.916 4.556 0.052 0.000 0.325 308 H C -3.376 172.058 175.328 0.176 0.000 1.206 308 H CA -1.138 54.873 56.048 -0.061 0.000 1.316 308 H CB 2.262 31.963 29.762 -0.102 0.000 1.981 308 H HN 0.422 nan 8.280 nan 0.000 0.527 309 P HA 0.153 nan 4.420 nan 0.000 0.275 309 P C 1.157 178.712 177.300 0.424 0.000 1.228 309 P CA -0.291 62.946 63.100 0.228 0.000 0.786 309 P CB 1.197 32.934 31.700 0.062 0.000 0.927 310 L N 1.216 122.610 121.223 0.285 0.000 2.179 310 L HA -0.053 4.318 4.340 0.052 0.000 0.208 310 L C 0.657 177.628 176.870 0.168 0.000 1.096 310 L CA 0.802 55.772 54.840 0.216 0.000 0.779 310 L CB -0.721 41.411 42.059 0.121 0.000 0.922 310 L HN 0.540 nan 8.230 nan 0.000 0.443 311 N N 0.068 118.850 118.700 0.137 0.000 2.738 311 N HA -0.212 4.560 4.740 0.052 0.000 0.249 311 N C 0.613 176.155 175.510 0.053 0.000 1.047 311 N CA 0.256 53.360 53.050 0.090 0.000 0.707 311 N CB -1.189 37.374 38.487 0.127 0.000 0.937 311 N HN 0.260 nan 8.380 nan 0.000 0.545 312 L N -0.286 120.961 121.223 0.040 0.000 2.265 312 L HA -0.149 4.222 4.340 0.052 0.000 0.215 312 L C 2.035 178.901 176.870 -0.006 0.000 1.117 312 L CA 1.140 55.992 54.840 0.019 0.000 0.782 312 L CB -0.294 41.776 42.059 0.018 0.000 0.914 312 L HN 0.339 nan 8.230 nan 0.000 0.441 313 K N 0.158 120.542 120.400 -0.026 0.000 2.296 313 K HA 0.143 4.495 4.320 0.052 0.000 0.200 313 K C 0.953 177.504 176.600 -0.083 0.000 1.048 313 K CA 0.492 56.740 56.287 -0.065 0.000 0.966 313 K CB 0.067 32.505 32.500 -0.103 0.000 0.754 313 K HN 0.363 nan 8.250 nan 0.000 0.466 314 G N 1.298 110.065 108.800 -0.055 0.000 2.746 314 G HA2 -0.256 3.735 3.960 0.052 0.000 0.685 314 G HA3 -0.256 3.735 3.960 0.052 0.000 0.685 314 G C -0.439 174.408 174.900 -0.088 0.000 1.350 314 G CA -0.350 44.724 45.100 -0.043 0.000 0.837 314 G HN 0.291 nan 8.290 nan 0.000 0.564 315 R N -1.968 118.532 120.500 0.000 0.000 3.910 315 R HA -0.320 4.051 4.340 0.052 0.000 0.415 315 R C 1.640 178.025 176.300 0.142 0.000 0.241 315 R CA 2.905 59.056 56.100 0.086 0.000 1.327 315 R CB -1.510 28.790 30.300 0.001 0.000 1.012 315 R HN 1.714 nan 8.270 nan 0.000 0.557 316 W N 0.304 121.663 121.300 0.098 0.000 3.290 316 W HA 0.273 4.965 4.660 0.053 0.000 0.287 316 W C 1.424 178.010 176.519 0.112 0.000 1.288 316 W CA -0.316 57.102 57.345 0.122 0.000 1.725 316 W CB 0.060 29.606 29.460 0.142 0.000 1.103 316 W HN 0.233 nan 8.180 nan 0.000 0.670 317 M N 1.815 121.143 119.600 -0.455 0.000 2.082 317 M HA -0.131 4.380 4.480 0.052 0.000 0.258 317 M C 1.166 177.427 176.300 -0.065 0.000 1.069 317 M CA 1.378 56.481 55.300 -0.328 0.000 1.102 317 M CB -1.914 30.495 32.600 -0.319 0.000 1.336 317 M HN 0.253 nan 8.290 nan 0.000 0.404 318 R N 2.075 122.572 120.500 -0.005 0.000 3.336 318 R HA -0.120 4.251 4.340 0.052 0.000 0.260 318 R C -0.613 175.712 176.300 0.041 0.000 1.032 318 R CA 0.695 56.829 56.100 0.057 0.000 0.693 318 R CB -1.991 28.379 30.300 0.117 0.000 1.134 318 R HN 0.681 nan 8.270 nan 0.000 0.433 319 D N 0.791 121.204 120.400 0.023 0.000 2.329 319 D HA 0.205 4.877 4.640 0.052 0.000 0.246 319 D C -0.080 176.252 176.300 0.053 0.000 1.111 319 D CA -0.536 53.477 54.000 0.021 0.000 0.941 319 D CB 0.590 41.393 40.800 0.004 0.000 1.169 319 D HN 0.232 nan 8.370 nan 0.000 0.441 320 R N -0.757 119.767 120.500 0.040 0.000 3.125 320 R HA -0.194 4.177 4.340 0.052 0.000 0.258 320 R C -0.598 175.773 176.300 0.119 0.000 0.968 320 R CA -0.242 55.904 56.100 0.076 0.000 0.656 320 R CB -1.889 28.488 30.300 0.129 0.000 1.251 320 R HN 0.424 nan 8.270 nan 0.000 0.428 321 L N 2.802 124.015 121.223 -0.016 0.000 2.477 321 L HA 0.109 4.480 4.340 0.052 0.000 0.272 321 L C 0.600 177.410 176.870 -0.101 0.000 1.157 321 L CA 0.772 55.576 54.840 -0.061 0.000 0.889 321 L CB 0.195 42.092 42.059 -0.271 0.000 1.158 321 L HN 0.205 nan 8.230 nan 0.000 0.473 322 H N 4.323 123.296 119.070 -0.162 0.000 2.616 322 H HA 0.502 5.089 4.556 0.052 0.000 0.353 322 H C -1.131 173.971 175.328 -0.377 0.000 1.170 322 H CA -0.931 54.868 56.048 -0.416 0.000 1.212 322 H CB 2.290 31.530 29.762 -0.869 0.000 1.653 322 H HN 0.502 nan 8.280 nan 0.000 0.537 323 L N 2.148 123.159 121.223 -0.354 0.000 2.356 323 L HA 0.336 4.707 4.340 0.052 0.000 0.277 323 L C -1.531 175.300 176.870 -0.065 0.000 0.996 323 L CA -0.460 54.326 54.840 -0.089 0.000 0.822 323 L CB 1.098 43.127 42.059 -0.051 0.000 1.256 323 L HN 0.504 nan 8.230 nan 0.000 0.413 324 W N 5.945 127.412 121.300 0.280 0.000 2.706 324 W HA 0.567 5.259 4.660 0.052 0.000 0.346 324 W C -0.599 176.154 176.519 0.389 0.000 1.071 324 W CA -0.902 56.677 57.345 0.390 0.000 1.206 324 W CB 2.181 32.008 29.460 0.612 0.000 1.413 324 W HN 0.452 nan 8.180 nan 0.000 0.542 325 M N 2.577 122.580 119.600 0.671 0.000 2.263 325 M HA 0.442 4.953 4.480 0.052 0.000 0.295 325 M C -1.255 175.425 176.300 0.633 0.000 1.028 325 M CA 0.126 55.749 55.300 0.540 0.000 0.921 325 M CB 2.253 35.095 32.600 0.404 0.000 1.601 325 M HN 0.325 nan 8.290 nan 0.000 0.440 326 T N 1.428 116.275 114.554 0.489 0.000 2.909 326 T HA 0.430 4.811 4.350 0.052 0.000 0.299 326 T C -0.777 174.027 174.700 0.173 0.000 1.073 326 T CA -0.563 61.756 62.100 0.365 0.000 0.999 326 T CB 1.242 70.265 68.868 0.258 0.000 1.098 326 T HN 0.805 nan 8.240 nan 0.000 0.477 327 D N 2.775 123.201 120.400 0.043 0.000 2.525 327 D HA 0.181 4.852 4.640 0.052 0.000 0.229 327 D C 0.745 176.914 176.300 -0.220 0.000 1.202 327 D CA -0.347 53.652 54.000 -0.001 0.000 0.828 327 D CB -0.767 40.125 40.800 0.154 0.000 1.008 327 D HN 0.814 nan 8.370 nan 0.000 0.493 328 N N -0.357 118.117 118.700 -0.376 0.000 2.965 328 N HA -0.255 4.517 4.740 0.052 0.000 0.232 328 N C 0.384 175.750 175.510 -0.241 0.000 0.913 328 N CA 1.282 54.112 53.050 -0.366 0.000 0.981 328 N CB -0.294 37.903 38.487 -0.483 0.000 1.077 328 N HN 0.426 nan 8.380 nan 0.000 0.589 329 Q N -0.518 119.125 119.800 -0.261 0.000 2.474 329 Q HA 0.232 4.603 4.340 0.052 0.000 0.191 329 Q C -0.099 175.708 176.000 -0.322 0.000 0.700 329 Q CA -0.238 55.363 55.803 -0.336 0.000 0.849 329 Q CB 0.313 28.833 28.738 -0.364 0.000 1.232 329 Q HN 0.103 nan 8.270 nan 0.000 0.563 330 R N 0.947 121.194 120.500 -0.422 0.000 2.500 330 R HA 0.512 4.883 4.340 0.052 0.000 0.275 330 R C -0.583 175.686 176.300 -0.052 0.000 1.051 330 R CA 0.192 56.110 56.100 -0.303 0.000 1.088 330 R CB 0.799 30.694 30.300 -0.675 0.000 1.063 330 R HN 0.163 nan 8.270 nan 0.000 0.511 331 I N 2.189 122.877 120.570 0.197 0.000 2.468 331 I HA 0.270 4.471 4.170 0.052 0.000 0.285 331 I C -1.229 175.220 176.117 0.553 0.000 1.039 331 I CA -0.610 60.901 61.300 0.351 0.000 1.074 331 I CB 1.340 39.421 38.000 0.134 0.000 1.228 331 I HN 0.420 nan 8.210 nan 0.000 0.436 332 F N 5.951 126.239 119.950 0.563 0.000 2.436 332 F HA 0.414 4.972 4.527 0.052 0.000 0.340 332 F C 0.055 176.122 175.800 0.446 0.000 1.113 332 F CA -0.579 57.713 58.000 0.486 0.000 1.022 332 F CB 1.145 40.409 39.000 0.439 0.000 1.128 332 F HN 0.361 nan 8.300 nan 0.000 0.466 333 D N 5.395 125.564 120.400 -0.384 0.000 2.393 333 D HA 0.148 4.819 4.640 0.052 0.000 0.232 333 D C 0.922 176.742 176.300 -0.799 0.000 1.192 333 D CA -0.002 53.704 54.000 -0.491 0.000 0.882 333 D CB 1.140 41.757 40.800 -0.305 0.000 1.038 333 D HN 0.392 nan 8.370 nan 0.000 0.499 334 V N 3.444 123.142 119.914 -0.361 0.000 2.490 334 V HA 0.159 4.310 4.120 0.052 0.000 0.250 334 V C 1.575 177.549 176.094 -0.199 0.000 1.061 334 V CA 1.445 63.691 62.300 -0.090 0.000 1.064 334 V CB -1.364 30.509 31.823 0.083 0.000 0.670 334 V HN 0.879 nan 8.190 nan 0.000 0.461 335 G N -0.953 107.653 108.800 -0.323 0.000 2.316 335 G HA2 -0.058 3.933 3.960 0.052 0.000 0.349 335 G HA3 -0.058 3.933 3.960 0.052 0.000 0.349 335 G C -0.833 173.576 174.900 -0.818 0.000 1.274 335 G CA -0.272 44.593 45.100 -0.392 0.000 1.018 335 G HN 0.236 nan 8.290 nan 0.000 0.486 336 Q N 0.238 119.511 119.800 -0.879 0.000 2.294 336 Q HA 0.542 4.913 4.340 0.052 0.000 0.257 336 Q C 1.526 177.291 176.000 -0.390 0.000 0.955 336 Q CA -0.031 55.272 55.803 -0.833 0.000 0.936 336 Q CB 0.568 28.993 28.738 -0.522 0.000 1.188 336 Q HN 0.750 nan 8.270 nan 0.000 0.420 337 I N 0.263 120.644 120.570 -0.315 0.000 3.645 337 I HA 0.140 4.341 4.170 0.052 0.000 0.300 337 I C 0.663 176.726 176.117 -0.090 0.000 1.260 337 I CA -0.298 60.902 61.300 -0.166 0.000 1.365 337 I CB 0.338 38.265 38.000 -0.122 0.000 1.077 337 I HN 0.374 nan 8.210 nan 0.000 0.439 338 S N 1.600 117.213 115.700 -0.145 0.000 2.661 338 S HA 0.536 5.037 4.470 0.052 0.000 0.265 338 S C -0.117 174.474 174.600 -0.015 0.000 1.225 338 S CA -0.576 57.600 58.200 -0.040 0.000 0.986 338 S CB 1.225 64.372 63.200 -0.089 0.000 1.008 338 S HN 0.252 nan 8.310 nan 0.000 0.565 339 I N 1.487 122.071 120.570 0.023 0.000 2.362 339 I HA 0.530 4.731 4.170 0.052 0.000 0.289 339 I C 1.243 177.360 176.117 0.001 0.000 0.994 339 I CA -0.049 61.256 61.300 0.007 0.000 1.158 339 I CB 0.714 38.725 38.000 0.019 0.000 1.315 339 I HN 1.142 nan 8.210 nan 0.000 0.451 340 G N 5.752 114.547 108.800 -0.009 0.000 2.614 340 G HA2 -0.348 3.643 3.960 0.052 0.000 0.303 340 G HA3 -0.348 3.643 3.960 0.052 0.000 0.303 340 G C 0.398 175.296 174.900 -0.002 0.000 1.270 340 G CA 0.631 45.727 45.100 -0.006 0.000 0.988 340 G HN 0.877 nan 8.290 nan 0.000 0.551 341 D N 1.832 122.231 120.400 -0.002 0.000 2.491 341 D HA 0.153 4.824 4.640 0.052 0.000 0.228 341 D C 0.923 177.219 176.300 -0.006 0.000 1.183 341 D CA 0.643 54.642 54.000 -0.002 0.000 0.827 341 D CB -0.671 40.126 40.800 -0.005 0.000 0.989 341 D HN 0.937 nan 8.370 nan 0.000 0.494 342 E N 0.259 120.459 120.200 0.000 0.000 2.418 342 E HA 0.011 4.392 4.350 0.052 0.000 0.261 342 E C -0.369 176.231 176.600 0.000 0.000 1.070 342 E CA -0.436 55.964 56.400 0.001 0.000 0.931 342 E CB 0.386 30.097 29.700 0.019 0.000 0.954 342 E HN -0.086 nan 8.360 nan 0.000 0.439 343 N N 1.540 120.232 118.700 -0.013 0.000 2.458 343 N HA 0.031 4.802 4.740 0.052 0.000 0.270 343 N C -0.145 175.384 175.510 0.032 0.000 1.102 343 N CA 0.093 53.135 53.050 -0.014 0.000 0.967 343 N CB 1.563 40.016 38.487 -0.058 0.000 1.078 343 N HN 0.657 nan 8.380 nan 0.000 0.471 344 S N 1.395 117.131 115.700 0.060 0.000 4.089 344 S HA 0.858 5.359 4.470 0.052 0.000 0.191 344 S C 0.761 175.466 174.600 0.176 0.000 0.964 344 S CA 0.396 58.667 58.200 0.119 0.000 1.612 344 S CB 0.726 63.938 63.200 0.020 0.000 0.736 344 S HN 0.642 nan 8.310 nan 0.000 0.773 345 G N -0.207 108.691 108.800 0.162 0.000 2.350 345 G HA2 0.175 4.166 3.960 0.052 0.000 0.085 345 G HA3 0.175 4.166 3.960 0.052 0.000 0.085 345 G C -1.516 173.542 174.900 0.264 0.000 1.159 345 G CA -0.512 44.739 45.100 0.252 0.000 1.146 345 G HN 0.561 nan 8.290 nan 0.000 0.449 346 Y N 2.072 122.409 120.300 0.062 0.000 2.480 346 Y HA 0.524 5.104 4.550 0.051 0.000 0.338 346 Y C 1.283 177.213 175.900 0.050 0.000 1.220 346 Y CA -0.075 58.037 58.100 0.020 0.000 1.430 346 Y CB 1.157 39.627 38.460 0.016 0.000 1.311 346 Y HN 0.904 nan 8.280 nan 0.000 0.575 347 S N -0.094 115.681 115.700 0.126 0.000 2.671 347 S HA 0.808 5.309 4.470 0.052 0.000 0.277 347 S C -0.917 173.742 174.600 0.099 0.000 1.165 347 S CA -0.927 57.349 58.200 0.127 0.000 0.822 347 S CB 2.199 65.423 63.200 0.042 0.000 1.150 347 S HN 0.543 nan 8.310 nan 0.000 0.479 348 S N -0.339 115.443 115.700 0.136 0.000 2.536 348 S HA 0.739 5.240 4.470 0.052 0.000 0.271 348 S C -1.719 172.981 174.600 0.167 0.000 1.134 348 S CA -0.494 57.791 58.200 0.140 0.000 0.897 348 S CB 1.582 64.875 63.200 0.155 0.000 1.094 348 S HN 1.476 nan 8.310 nan 0.000 0.473 349 V N 4.862 124.875 119.914 0.166 0.000 2.823 349 V HA 0.944 5.096 4.120 0.052 0.000 0.312 349 V C -1.691 174.540 176.094 0.228 0.000 1.072 349 V CA -0.689 61.726 62.300 0.192 0.000 0.937 349 V CB 1.864 33.778 31.823 0.153 0.000 1.013 349 V HN 0.943 nan 8.190 nan 0.000 0.430 350 L N 5.952 127.350 121.223 0.292 0.000 2.493 350 L HA 0.595 4.967 4.340 0.052 0.000 0.265 350 L C -2.171 174.957 176.870 0.430 0.000 0.954 350 L CA -0.333 54.704 54.840 0.330 0.000 0.844 350 L CB 1.959 44.210 42.059 0.319 0.000 1.302 350 L HN 0.734 nan 8.230 nan 0.000 0.405 351 Y N 4.955 125.384 120.300 0.214 0.000 2.342 351 Y HA 0.642 5.223 4.550 0.052 0.000 0.338 351 Y C -0.884 175.135 175.900 0.198 0.000 0.965 351 Y CA -0.589 57.621 58.100 0.184 0.000 1.159 351 Y CB 0.949 39.483 38.460 0.123 0.000 1.157 351 Y HN 0.723 nan 8.280 nan 0.000 0.486 352 K N 5.334 125.739 120.400 0.009 0.000 2.535 352 K HA 0.274 4.626 4.320 0.052 0.000 0.250 352 K C -1.105 175.436 176.600 -0.098 0.000 0.948 352 K CA -0.476 55.806 56.287 -0.008 0.000 0.796 352 K CB 0.958 33.539 32.500 0.135 0.000 1.216 352 K HN 0.726 nan 8.250 nan 0.000 0.432 353 D N 3.997 124.300 120.400 -0.161 0.000 2.697 353 D HA -0.208 4.463 4.640 0.052 0.000 0.235 353 D C -0.305 175.879 176.300 -0.192 0.000 1.167 353 D CA 1.865 55.786 54.000 -0.131 0.000 0.656 353 D CB -0.801 39.980 40.800 -0.033 0.000 1.025 353 D HN 1.008 nan 8.370 nan 0.000 0.419 354 D N -1.216 118.911 120.400 -0.456 0.000 2.911 354 D HA -0.206 4.465 4.640 0.052 0.000 0.227 354 D C -0.737 175.480 176.300 -0.138 0.000 1.164 354 D CA 1.210 55.000 54.000 -0.349 0.000 0.782 354 D CB -0.005 40.753 40.800 -0.071 0.000 1.094 354 D HN 0.290 nan 8.370 nan 0.000 0.425 355 K N -0.037 120.247 120.400 -0.193 0.000 2.422 355 K HA 0.594 4.945 4.320 0.052 0.000 0.251 355 K C -0.693 175.838 176.600 -0.114 0.000 0.933 355 K CA -1.022 55.195 56.287 -0.116 0.000 0.798 355 K CB 1.904 34.321 32.500 -0.139 0.000 1.238 355 K HN 0.090 nan 8.250 nan 0.000 0.428 356 L N 2.824 123.918 121.223 -0.216 0.000 2.317 356 L HA 0.506 4.877 4.340 0.052 0.000 0.281 356 L C -1.463 175.156 176.870 -0.418 0.000 1.024 356 L CA -0.243 54.543 54.840 -0.090 0.000 0.810 356 L CB 0.627 42.709 42.059 0.040 0.000 1.240 356 L HN 0.488 nan 8.230 nan 0.000 0.427 357 Y N 1.801 122.169 120.300 0.112 0.000 2.609 357 Y HA 0.721 5.302 4.550 0.052 0.000 0.342 357 Y C -0.104 175.846 175.900 0.084 0.000 1.058 357 Y CA -0.841 57.280 58.100 0.034 0.000 1.055 357 Y CB 2.247 40.764 38.460 0.095 0.000 1.292 357 Y HN 0.526 nan 8.280 nan 0.000 0.476 358 S N 1.175 117.005 115.700 0.217 0.000 2.549 358 S HA 0.729 5.230 4.470 0.052 0.000 0.280 358 S C -2.237 172.515 174.600 0.253 0.000 1.109 358 S CA -0.521 57.819 58.200 0.234 0.000 0.905 358 S CB 1.213 64.544 63.200 0.219 0.000 1.081 358 S HN 0.583 nan 8.310 nan 0.000 0.477 359 L N 4.940 126.321 121.223 0.263 0.000 2.343 359 L HA 0.768 5.139 4.340 0.052 0.000 0.278 359 L C -0.860 176.128 176.870 0.198 0.000 0.996 359 L CA 0.077 55.046 54.840 0.214 0.000 0.831 359 L CB 1.201 43.386 42.059 0.210 0.000 1.232 359 L HN 0.992 nan 8.230 nan 0.000 0.413 360 H N 1.245 120.379 119.070 0.107 0.000 3.008 360 H HA 0.606 5.193 4.556 0.052 0.000 0.354 360 H C -1.348 174.038 175.328 0.097 0.000 1.252 360 H CA -0.980 55.123 56.048 0.092 0.000 1.117 360 H CB 0.865 30.673 29.762 0.076 0.000 1.857 360 H HN 0.534 nan 8.280 nan 0.000 0.547 361 E N 1.195 121.602 120.200 0.345 0.000 2.366 361 E HA 0.352 4.733 4.350 0.052 0.000 0.266 361 E C -0.130 176.666 176.600 0.327 0.000 1.051 361 E CA -0.388 56.185 56.400 0.288 0.000 0.884 361 E CB 1.375 31.269 29.700 0.323 0.000 1.006 361 E HN 0.562 nan 8.360 nan 0.000 0.417 362 I N -0.457 120.228 120.570 0.192 0.000 2.647 362 I HA 0.493 4.695 4.170 0.052 0.000 0.295 362 I C -1.022 175.099 176.117 0.008 0.000 1.078 362 I CA -0.862 60.509 61.300 0.118 0.000 1.048 362 I CB 2.111 40.157 38.000 0.075 0.000 1.239 362 I HN 0.388 nan 8.210 nan 0.000 0.421 363 N N 3.241 121.882 118.700 -0.099 0.000 2.461 363 N HA 0.462 5.233 4.740 0.052 0.000 0.284 363 N C -1.525 173.854 175.510 -0.218 0.000 1.049 363 N CA -0.291 52.548 53.050 -0.351 0.000 0.889 363 N CB 1.995 40.157 38.487 -0.543 0.000 1.365 363 N HN 0.755 nan 8.380 nan 0.000 0.499 364 T N 2.946 117.382 114.554 -0.198 0.000 2.815 364 T HA 0.295 4.676 4.350 0.052 0.000 0.289 364 T C -0.132 174.506 174.700 -0.103 0.000 1.000 364 T CA -0.434 61.597 62.100 -0.114 0.000 0.958 364 T CB 0.661 69.487 68.868 -0.070 0.000 0.944 364 T HN 0.675 nan 8.240 nan 0.000 0.442 365 N N 3.160 121.826 118.700 -0.057 0.000 2.735 365 N HA -0.162 4.609 4.740 0.052 0.000 0.248 365 N C -0.425 175.086 175.510 0.002 0.000 1.083 365 N CA 1.129 54.177 53.050 -0.003 0.000 0.703 365 N CB -0.918 37.569 38.487 0.001 0.000 1.005 365 N HN 0.840 nan 8.380 nan 0.000 0.550 366 D N -2.558 117.805 120.400 -0.062 0.000 2.870 366 D HA -0.154 4.518 4.640 0.052 0.000 0.228 366 D C -0.516 175.833 176.300 0.082 0.000 1.147 366 D CA 0.952 54.931 54.000 -0.034 0.000 0.757 366 D CB -1.402 39.478 40.800 0.133 0.000 1.091 366 D HN 0.322 nan 8.370 nan 0.000 0.429 367 V N 0.752 120.623 119.914 -0.071 0.000 2.409 367 V HA 0.489 4.640 4.120 0.052 0.000 0.291 367 V C -0.188 175.891 176.094 -0.024 0.000 1.020 367 V CA -0.791 61.524 62.300 0.024 0.000 0.848 367 V CB 1.407 33.141 31.823 -0.149 0.000 0.990 367 V HN -0.029 nan 8.190 nan 0.000 0.430 368 Y N 1.593 121.891 120.300 -0.003 0.000 2.393 368 Y HA 0.713 5.295 4.550 0.053 0.000 0.341 368 Y C 0.570 176.511 175.900 0.070 0.000 0.988 368 Y CA -0.621 57.497 58.100 0.031 0.000 1.078 368 Y CB 2.348 40.822 38.460 0.024 0.000 1.203 368 Y HN 0.589 nan 8.280 nan 0.000 0.453 369 S N 2.460 118.288 115.700 0.212 0.000 2.689 369 S HA 0.733 5.235 4.470 0.052 0.000 0.306 369 S C -1.057 173.627 174.600 0.141 0.000 1.104 369 S CA -0.887 57.427 58.200 0.190 0.000 0.973 369 S CB 1.147 64.408 63.200 0.101 0.000 1.121 369 S HN 0.456 nan 8.310 nan 0.000 0.523 370 L N 2.206 123.490 121.223 0.102 0.000 2.325 370 L HA 0.590 4.961 4.340 0.052 0.000 0.281 370 L C -0.490 176.384 176.870 0.007 0.000 1.004 370 L CA -0.965 53.891 54.840 0.028 0.000 0.823 370 L CB 1.478 43.508 42.059 -0.049 0.000 1.236 370 L HN 0.443 nan 8.230 nan 0.000 0.415 371 V N 0.052 119.896 119.914 -0.117 0.000 2.539 371 V HA 0.520 4.672 4.120 0.052 0.000 0.292 371 V C -0.711 175.368 176.094 -0.026 0.000 1.045 371 V CA -0.637 61.597 62.300 -0.109 0.000 0.945 371 V CB 1.657 33.345 31.823 -0.224 0.000 0.993 371 V HN 0.556 nan 8.190 nan 0.000 0.464 372 F N 4.706 124.614 119.950 -0.070 0.000 2.402 372 F HA 0.789 5.347 4.527 0.052 0.000 0.355 372 F C -0.611 175.242 175.800 0.089 0.000 1.123 372 F CA -0.787 57.229 58.000 0.026 0.000 1.021 372 F CB 1.377 40.388 39.000 0.018 0.000 1.160 372 F HN 0.466 nan 8.300 nan 0.000 0.451 373 V N 6.675 126.411 119.914 -0.297 0.000 2.513 373 V HA 0.527 4.678 4.120 0.052 0.000 0.299 373 V C -0.280 175.636 176.094 -0.297 0.000 1.035 373 V CA -0.962 61.205 62.300 -0.222 0.000 0.889 373 V CB 1.866 33.673 31.823 -0.025 0.000 0.988 373 V HN 0.637 nan 8.190 nan 0.000 0.440 374 R N 4.054 124.415 120.500 -0.233 0.000 2.215 374 R HA 0.489 4.861 4.340 0.052 0.000 0.337 374 R C -0.729 175.464 176.300 -0.178 0.000 1.010 374 R CA -0.418 55.540 56.100 -0.237 0.000 0.871 374 R CB 0.851 31.059 30.300 -0.154 0.000 1.134 374 R HN 0.622 nan 8.270 nan 0.000 0.477 375 L N 5.265 126.371 121.223 -0.195 0.000 2.480 375 L HA 0.089 4.460 4.340 0.052 0.000 0.243 375 L C 0.997 177.800 176.870 -0.112 0.000 1.315 375 L CA -0.309 54.462 54.840 -0.115 0.000 1.231 375 L CB -0.017 41.999 42.059 -0.071 0.000 1.444 375 L HN 0.627 nan 8.230 nan 0.000 0.409 376 I N 1.098 121.608 120.570 -0.101 0.000 2.162 376 I HA -0.095 4.106 4.170 0.052 0.000 0.238 376 I C 2.495 178.583 176.117 -0.049 0.000 1.076 376 I CA 1.452 62.707 61.300 -0.076 0.000 1.353 376 I CB -1.485 36.479 38.000 -0.060 0.000 1.063 376 I HN 0.459 nan 8.210 nan 0.000 0.408 377 G N 0.354 109.129 108.800 -0.041 0.000 2.421 377 G HA2 -0.251 3.740 3.960 0.052 0.000 0.216 377 G HA3 -0.251 3.740 3.960 0.052 0.000 0.216 377 G C 1.540 176.425 174.900 -0.024 0.000 1.171 377 G CA 0.788 45.870 45.100 -0.029 0.000 0.775 377 G HN 0.348 nan 8.290 nan 0.000 0.543 378 E N -0.062 120.120 120.200 -0.029 0.000 2.086 378 E HA -0.167 4.214 4.350 0.052 0.000 0.200 378 E C 2.305 178.896 176.600 -0.015 0.000 1.012 378 E CA 0.991 57.382 56.400 -0.015 0.000 0.812 378 E CB -0.447 29.238 29.700 -0.026 0.000 0.743 378 E HN 0.356 nan 8.360 nan 0.000 0.453 379 L N 0.913 122.118 121.223 -0.030 0.000 2.083 379 L HA -0.208 4.163 4.340 0.052 0.000 0.209 379 L C 2.331 179.176 176.870 -0.042 0.000 1.083 379 L CA 1.879 56.697 54.840 -0.036 0.000 0.752 379 L CB -0.531 41.521 42.059 -0.011 0.000 0.899 379 L HN 0.195 nan 8.230 nan 0.000 0.433 380 Q N -0.972 118.808 119.800 -0.033 0.000 2.050 380 Q HA -0.250 4.121 4.340 0.052 0.000 0.202 380 Q C 2.249 178.214 176.000 -0.057 0.000 0.980 380 Q CA 2.158 57.938 55.803 -0.038 0.000 0.840 380 Q CB -0.306 28.416 28.738 -0.027 0.000 0.898 380 Q HN 0.506 nan 8.270 nan 0.000 0.424 381 L N 0.587 121.786 121.223 -0.041 0.000 2.017 381 L HA -0.147 4.224 4.340 0.052 0.000 0.208 381 L C 2.326 179.105 176.870 -0.153 0.000 1.073 381 L CA 1.797 56.608 54.840 -0.049 0.000 0.745 381 L CB -0.522 41.572 42.059 0.058 0.000 0.894 381 L HN 0.320 nan 8.230 nan 0.000 0.432 382 M N -0.679 118.850 119.600 -0.117 0.000 2.082 382 M HA -0.292 4.219 4.480 0.052 0.000 0.258 382 M C 2.231 178.372 176.300 -0.265 0.000 1.069 382 M CA 2.097 57.276 55.300 -0.201 0.000 1.102 382 M CB -0.405 32.127 32.600 -0.114 0.000 1.336 382 M HN 0.145 nan 8.290 nan 0.000 0.404 383 K N -0.643 119.652 120.400 -0.175 0.000 2.063 383 K HA -0.156 4.195 4.320 0.052 0.000 0.208 383 K C 2.270 178.756 176.600 -0.189 0.000 1.048 383 K CA 1.724 57.920 56.287 -0.151 0.000 0.928 383 K CB -0.392 32.060 32.500 -0.079 0.000 0.713 383 K HN 0.260 nan 8.250 nan 0.000 0.442 384 S N 0.612 116.195 115.700 -0.195 0.000 2.368 384 S HA -0.115 4.386 4.470 0.052 0.000 0.225 384 S C 2.019 176.428 174.600 -0.319 0.000 1.030 384 S CA 1.159 59.239 58.200 -0.200 0.000 0.999 384 S CB -0.160 62.946 63.200 -0.156 0.000 0.844 384 S HN 0.086 nan 8.310 nan 0.000 0.459 385 V N 1.433 121.039 119.914 -0.514 0.000 2.358 385 V HA -0.101 4.050 4.120 0.052 0.000 0.246 385 V C 2.514 178.038 176.094 -0.949 0.000 1.047 385 V CA 1.671 63.471 62.300 -0.833 0.000 1.035 385 V CB -0.710 30.320 31.823 -1.322 0.000 0.658 385 V HN 0.421 nan 8.190 nan 0.000 0.452 386 V N -0.083 119.406 119.914 -0.709 0.000 2.287 386 V HA -0.280 3.871 4.120 0.052 0.000 0.248 386 V C 2.632 178.625 176.094 -0.169 0.000 1.053 386 V CA 2.133 64.179 62.300 -0.424 0.000 1.027 386 V CB -0.762 30.931 31.823 -0.216 0.000 0.646 386 V HN 0.474 nan 8.190 nan 0.000 0.447 387 R N -0.490 119.914 120.500 -0.159 0.000 2.091 387 R HA -0.161 4.210 4.340 0.052 0.000 0.238 387 R C 2.404 178.676 176.300 -0.046 0.000 1.136 387 R CA 1.958 58.017 56.100 -0.069 0.000 0.959 387 R CB -0.777 29.479 30.300 -0.073 0.000 0.856 387 R HN 0.503 nan 8.270 nan 0.000 0.437 388 T N 0.119 114.603 114.554 -0.117 0.000 2.684 388 T HA -0.172 4.209 4.350 0.052 0.000 0.267 388 T C 1.320 176.079 174.700 0.098 0.000 1.036 388 T CA 1.344 63.410 62.100 -0.056 0.000 1.148 388 T CB -0.182 68.621 68.868 -0.108 0.000 0.863 388 T HN 0.342 nan 8.240 nan 0.000 0.436 389 W N 1.807 123.110 121.300 0.006 0.000 2.354 389 W HA 0.029 4.720 4.660 0.052 0.000 0.315 389 W C 2.330 178.926 176.519 0.128 0.000 1.206 389 W CA 0.429 57.852 57.345 0.130 0.000 1.290 389 W CB -1.146 28.436 29.460 0.204 0.000 1.152 389 W HN 0.303 nan 8.180 nan 0.000 0.489 390 K N 0.110 120.695 120.400 0.309 0.000 2.063 390 K HA -0.200 4.152 4.320 0.052 0.000 0.208 390 K C 1.852 178.546 176.600 0.157 0.000 1.048 390 K CA 1.963 58.372 56.287 0.203 0.000 0.928 390 K CB -0.386 32.196 32.500 0.136 0.000 0.713 390 K HN 0.174 nan 8.250 nan 0.000 0.442 391 E N 0.332 120.603 120.200 0.118 0.000 2.072 391 E HA -0.214 4.167 4.350 0.052 0.000 0.191 391 E C 2.034 178.707 176.600 0.121 0.000 0.985 391 E CA 1.136 57.591 56.400 0.091 0.000 0.801 391 E CB 0.071 29.794 29.700 0.039 0.000 0.750 391 E HN 0.214 nan 8.360 nan 0.000 0.452 392 E N 1.137 121.398 120.200 0.102 0.000 2.072 392 E HA -0.180 4.201 4.350 0.052 0.000 0.191 392 E C 1.460 178.194 176.600 0.222 0.000 0.985 392 E CA 1.345 57.821 56.400 0.128 0.000 0.801 392 E CB -0.030 29.618 29.700 -0.087 0.000 0.750 392 E HN 0.097 nan 8.360 nan 0.000 0.452 393 D N 0.061 120.606 120.400 0.243 0.000 2.097 393 D HA -0.132 4.539 4.640 0.052 0.000 0.195 393 D C 1.552 177.938 176.300 0.143 0.000 0.989 393 D CA 0.995 55.124 54.000 0.215 0.000 0.827 393 D CB -0.365 40.561 40.800 0.209 0.000 0.966 393 D HN 0.187 nan 8.370 nan 0.000 0.456 394 N N -0.149 118.636 118.700 0.141 0.000 2.188 394 N HA -0.161 4.610 4.740 0.052 0.000 0.184 394 N C 1.708 177.284 175.510 0.110 0.000 1.018 394 N CA 0.825 53.938 53.050 0.106 0.000 0.858 394 N CB -0.535 38.011 38.487 0.100 0.000 0.989 394 N HN 0.405 nan 8.380 nan 0.000 0.426 395 H N 1.029 120.137 119.070 0.062 0.000 2.293 395 H HA 0.050 4.637 4.556 0.052 0.000 0.300 395 H C 2.024 177.386 175.328 0.056 0.000 1.082 395 H CA 1.546 57.627 56.048 0.055 0.000 1.308 395 H CB -0.417 29.381 29.762 0.060 0.000 1.375 395 H HN 0.077 nan 8.280 nan 0.000 0.495 396 L N -0.175 121.005 121.223 -0.071 0.000 2.046 396 L HA -0.083 4.288 4.340 0.052 0.000 0.208 396 L C 2.848 179.656 176.870 -0.102 0.000 1.077 396 L CA 1.036 55.794 54.840 -0.136 0.000 0.747 396 L CB -0.705 41.346 42.059 -0.014 0.000 0.896 396 L HN 0.428 nan 8.230 nan 0.000 0.432 397 A N -0.282 122.518 122.820 -0.034 0.000 2.125 397 A HA -0.174 4.177 4.320 0.052 0.000 0.219 397 A C 2.433 179.993 177.584 -0.040 0.000 1.156 397 A CA 1.767 53.790 52.037 -0.022 0.000 0.671 397 A CB -0.491 18.515 19.000 0.010 0.000 0.794 397 A HN 0.505 nan 8.150 nan 0.000 0.459 398 S N -0.996 114.666 115.700 -0.064 0.000 2.535 398 S HA 0.267 4.769 4.470 0.052 0.000 0.214 398 S C 0.519 175.071 174.600 -0.080 0.000 0.980 398 S CA -0.456 57.713 58.200 -0.052 0.000 0.907 398 S CB -0.488 62.702 63.200 -0.017 0.000 0.790 398 S HN 0.367 nan 8.310 nan 0.000 0.510 399 I N 2.004 122.494 120.570 -0.133 0.000 2.648 399 I HA 0.044 4.246 4.170 0.052 0.000 0.284 399 I C 0.514 176.589 176.117 -0.071 0.000 1.153 399 I CA -0.478 60.750 61.300 -0.121 0.000 1.426 399 I CB 0.462 38.370 38.000 -0.153 0.000 1.381 399 I HN 0.264 nan 8.210 nan 0.000 0.571 400 c N 7.556 126.124 118.600 -0.053 0.000 2.289 400 c HA 0.285 4.886 4.570 0.052 0.000 0.340 400 c C 1.058 175.119 174.090 -0.047 0.000 1.152 400 c CA -0.517 55.787 56.329 -0.042 0.000 1.650 400 c CB -1.418 41.074 42.510 -0.031 0.000 2.203 400 c HN 0.860 nan 8.230 nan 0.000 0.511 401 T N 4.695 119.219 114.554 -0.051 0.000 2.899 401 T HA 0.477 4.858 4.350 0.052 0.000 0.284 401 T C -2.696 171.971 174.700 -0.055 0.000 1.004 401 T CA -1.616 60.448 62.100 -0.059 0.000 1.043 401 T CB 0.978 69.808 68.868 -0.064 0.000 1.013 401 T HN 0.458 nan 8.240 nan 0.000 0.518 402 P HA 0.144 nan 4.420 nan 0.000 0.262 402 P C -0.343 176.931 177.300 -0.043 0.000 1.182 402 P CA -0.302 62.764 63.100 -0.057 0.000 0.761 402 P CB 0.218 31.872 31.700 -0.077 0.000 0.795 403 V N 4.858 124.752 119.914 -0.033 0.000 2.740 403 V HA 0.053 4.204 4.120 0.052 0.000 0.303 403 V C 0.805 176.887 176.094 -0.020 0.000 1.054 403 V CA 0.136 62.422 62.300 -0.024 0.000 1.106 403 V CB 1.261 33.073 31.823 -0.019 0.000 0.957 403 V HN 0.298 nan 8.190 nan 0.000 0.486 404 V N 6.145 126.050 119.914 -0.015 0.000 2.732 404 V HA 0.494 4.646 4.120 0.052 0.000 0.310 404 V C -2.001 174.092 176.094 -0.002 0.000 1.053 404 V CA -2.026 60.271 62.300 -0.006 0.000 0.957 404 V CB 2.037 33.859 31.823 -0.001 0.000 1.018 404 V HN 0.932 nan 8.190 nan 0.000 0.452 405 P HA 0.313 nan 4.420 nan 0.000 0.261 405 P C -0.632 176.670 177.300 0.003 0.000 1.183 405 P CA 0.379 63.482 63.100 0.005 0.000 0.761 405 P CB 0.443 32.150 31.700 0.011 0.000 0.785 414 c N 0.431 119.019 118.600 -0.020 0.000 2.913 414 c HA 0.903 5.504 4.570 0.052 0.000 0.322 414 c C 1.224 175.298 174.090 -0.026 0.000 1.292 414 c CA -0.120 56.194 56.329 -0.025 0.000 1.649 414 c CB 1.171 43.665 42.510 -0.027 0.000 2.139 414 c HN 0.499 nan 8.230 nan 0.000 0.475 415 G N 0.112 108.893 108.800 -0.032 0.000 2.525 415 G HA2 0.553 4.544 3.960 0.052 0.000 0.287 415 G HA3 0.553 4.544 3.960 0.052 0.000 0.287 415 G C -0.034 174.845 174.900 -0.034 0.000 1.350 415 G CA 0.128 45.208 45.100 -0.033 0.000 1.039 415 G HN 1.230 nan 8.290 nan 0.000 0.513 416 A N -0.927 121.872 122.820 -0.035 0.000 2.466 416 A HA 0.561 4.912 4.320 0.052 0.000 0.238 416 A C 1.027 178.586 177.584 -0.042 0.000 1.074 416 A CA 0.440 52.455 52.037 -0.037 0.000 0.774 416 A CB -0.292 18.683 19.000 -0.041 0.000 1.015 416 A HN 1.838 nan 8.150 nan 0.000 0.498 417 A N 1.359 124.156 122.820 -0.038 0.000 2.483 417 A HA 0.424 4.775 4.320 0.052 0.000 0.238 417 A C 0.437 177.995 177.584 -0.042 0.000 1.070 417 A CA -0.241 51.773 52.037 -0.039 0.000 0.770 417 A CB -0.233 18.749 19.000 -0.030 0.000 1.008 417 A HN 1.267 nan 8.150 nan 0.000 0.497 418 V N 4.926 124.813 119.914 -0.044 0.000 2.475 418 V HA 0.050 4.201 4.120 0.052 0.000 0.292 418 V C -1.843 174.244 176.094 -0.013 0.000 1.003 418 V CA -0.450 61.828 62.300 -0.037 0.000 1.120 418 V CB -0.069 31.726 31.823 -0.046 0.000 0.937 418 V HN 0.746 nan 8.190 nan 0.000 0.476 419 P HA 0.061 nan 4.420 nan 0.000 0.260 419 P C 0.761 178.145 177.300 0.140 0.000 1.185 419 P CA 0.406 63.516 63.100 0.017 0.000 0.763 419 P CB 0.447 32.084 31.700 -0.104 0.000 0.776 420 T N -0.558 114.050 114.554 0.091 0.000 2.958 420 T HA 0.333 4.714 4.350 0.052 0.000 0.256 420 T C 0.778 175.495 174.700 0.028 0.000 0.983 420 T CA -0.062 62.074 62.100 0.059 0.000 0.924 420 T CB 0.013 68.902 68.868 0.034 0.000 1.136 420 T HN 0.357 nan 8.240 nan 0.000 0.506 421 A N 1.014 123.859 122.820 0.041 0.000 2.492 421 A HA 0.573 4.924 4.320 0.052 0.000 0.254 421 A C 1.681 179.283 177.584 0.029 0.000 1.091 421 A CA 0.307 52.351 52.037 0.011 0.000 0.768 421 A CB -1.067 17.935 19.000 0.002 0.000 1.028 421 A HN 1.532 nan 8.150 nan 0.000 0.498 422 G N 1.300 110.066 108.800 -0.056 0.000 2.162 422 G HA2 -0.211 3.781 3.960 0.052 0.000 0.260 422 G HA3 -0.211 3.781 3.960 0.052 0.000 0.260 422 G C 0.241 175.011 174.900 -0.216 0.000 0.976 422 G CA 0.326 45.359 45.100 -0.112 0.000 0.655 422 G HN 1.143 nan 8.290 nan 0.000 0.533 423 L N 1.391 122.416 121.223 -0.331 0.000 2.456 423 L HA 0.411 4.782 4.340 0.052 0.000 0.277 423 L C 1.631 178.049 176.870 -0.752 0.000 1.124 423 L CA -0.396 53.976 54.840 -0.780 0.000 0.880 423 L CB 0.928 42.564 42.059 -0.705 0.000 1.192 423 L HN -0.001 nan 8.230 nan 0.000 0.463 424 V N 4.657 124.153 119.914 -0.696 0.000 2.492 424 V HA 0.265 4.417 4.120 0.052 0.000 0.241 424 V C 1.042 176.905 176.094 -0.384 0.000 1.041 424 V CA 1.003 62.973 62.300 -0.550 0.000 1.057 424 V CB 0.364 31.889 31.823 -0.495 0.000 0.711 424 V HN 0.850 nan 8.190 nan 0.000 0.468 425 G N -1.600 107.061 108.800 -0.232 0.000 2.672 425 G HA2 0.635 4.626 3.960 0.052 0.000 0.292 425 G HA3 0.635 4.626 3.960 0.052 0.000 0.292 425 G C -1.939 173.249 174.900 0.479 0.000 1.375 425 G CA -0.434 44.827 45.100 0.269 0.000 0.890 425 G HN 0.030 nan 8.290 nan 0.000 0.476 426 F N 1.033 121.219 119.950 0.394 0.000 2.722 426 F HA 0.493 5.052 4.527 0.052 0.000 0.336 426 F C -1.421 174.341 175.800 -0.064 0.000 1.216 426 F CA -1.099 57.004 58.000 0.171 0.000 1.065 426 F CB 1.373 40.542 39.000 0.281 0.000 1.325 426 F HN 0.283 nan 8.300 nan 0.000 0.524 427 L N 6.161 127.155 121.223 -0.382 0.000 2.280 427 L HA 0.518 4.889 4.340 0.052 0.000 0.287 427 L C -0.020 176.458 176.870 -0.654 0.000 1.023 427 L CA -0.145 54.142 54.840 -0.922 0.000 0.819 427 L CB 1.539 42.427 42.059 -1.952 0.000 1.212 427 L HN 0.648 nan 8.230 nan 0.000 0.420 428 S N 0.345 115.802 115.700 -0.405 0.000 4.228 428 S HA 0.142 4.644 4.470 0.052 0.000 0.207 428 S C 1.030 175.741 174.600 0.185 0.000 1.152 428 S CA 0.038 58.125 58.200 -0.189 0.000 1.645 428 S CB 0.155 62.939 63.200 -0.692 0.000 1.307 428 S HN 0.800 nan 8.310 nan 0.000 0.761 429 H N 1.608 120.668 119.070 -0.018 0.000 2.333 429 H HA 0.351 4.938 4.556 0.052 0.000 0.302 429 H C 0.938 176.280 175.328 0.022 0.000 1.075 429 H CA 1.810 57.864 56.048 0.010 0.000 1.348 429 H CB -0.476 29.272 29.762 -0.023 0.000 1.393 429 H HN 0.293 nan 8.280 nan 0.000 0.509 430 S N 0.229 115.960 115.700 0.053 0.000 2.509 430 S HA 0.447 4.948 4.470 0.052 0.000 0.287 430 S C -0.607 174.015 174.600 0.037 0.000 1.248 430 S CA 0.078 58.286 58.200 0.012 0.000 1.089 430 S CB -0.585 62.647 63.200 0.054 0.000 0.900 430 S HN 0.609 nan 8.310 nan 0.000 0.496 431 A N 4.723 127.498 122.820 -0.076 0.000 2.547 431 A HA 0.716 5.067 4.320 0.052 0.000 0.297 431 A C -1.245 176.283 177.584 -0.094 0.000 1.056 431 A CA -1.158 50.826 52.037 -0.088 0.000 0.688 431 A CB 1.354 20.161 19.000 -0.321 0.000 1.282 431 A HN 1.005 nan 8.150 nan 0.000 0.400 432 N N 0.818 119.490 118.700 -0.048 0.000 2.578 432 N HA 0.558 5.329 4.740 0.052 0.000 0.282 432 N C 0.416 175.916 175.510 -0.017 0.000 1.119 432 N CA 0.051 53.080 53.050 -0.036 0.000 0.948 432 N CB 1.542 40.021 38.487 -0.012 0.000 1.546 432 N HN 1.972 nan 8.380 nan 0.000 0.525 433 G N 2.022 110.806 108.800 -0.028 0.000 2.620 433 G HA2 -0.397 3.594 3.960 0.052 0.000 0.315 433 G HA3 -0.397 3.594 3.960 0.052 0.000 0.315 433 G C 0.673 175.572 174.900 -0.003 0.000 1.179 433 G CA 0.856 45.949 45.100 -0.012 0.000 0.971 433 G HN 1.678 nan 8.290 nan 0.000 0.544 434 S N -0.361 115.350 115.700 0.019 0.000 2.574 434 S HA 0.630 5.131 4.470 0.052 0.000 0.242 434 S C -0.002 174.636 174.600 0.064 0.000 0.982 434 S CA 0.537 58.758 58.200 0.036 0.000 0.977 434 S CB 0.747 63.968 63.200 0.035 0.000 0.814 434 S HN 1.238 nan 8.310 nan 0.000 0.464 435 V N 2.007 121.960 119.914 0.066 0.000 2.588 435 V HA 0.490 4.641 4.120 0.052 0.000 0.304 435 V C -1.305 174.884 176.094 0.159 0.000 1.042 435 V CA -0.741 61.626 62.300 0.110 0.000 0.877 435 V CB 1.638 33.516 31.823 0.092 0.000 0.996 435 V HN 0.604 nan 8.190 nan 0.000 0.425 436 W N 4.446 125.730 121.300 -0.026 0.000 2.294 436 W HA 0.534 5.225 4.660 0.052 0.000 0.314 436 W C 0.052 176.525 176.519 -0.077 0.000 1.044 436 W CA -1.314 55.986 57.345 -0.074 0.000 1.284 436 W CB 1.002 30.399 29.460 -0.105 0.000 1.231 436 W HN 0.643 nan 8.180 nan 0.000 0.419 437 E N 3.054 123.409 120.200 0.257 0.000 2.313 437 E HA -0.018 4.363 4.350 0.052 0.000 0.276 437 E C -0.389 176.230 176.600 0.031 0.000 1.031 437 E CA -0.319 56.154 56.400 0.122 0.000 0.857 437 E CB 1.076 30.845 29.700 0.115 0.000 1.040 437 E HN 0.181 nan 8.360 nan 0.000 0.408 438 D N 2.673 123.141 120.400 0.112 0.000 2.371 438 D HA -0.033 4.638 4.640 0.052 0.000 0.256 438 D C 0.775 177.192 176.300 0.194 0.000 1.193 438 D CA -0.053 54.070 54.000 0.206 0.000 0.881 438 D CB 1.312 42.347 40.800 0.392 0.000 1.143 438 D HN 0.131 nan 8.370 nan 0.000 0.473 439 V N 4.529 124.529 119.914 0.143 0.000 2.568 439 V HA -0.258 3.893 4.120 0.052 0.000 0.253 439 V C 1.247 177.369 176.094 0.046 0.000 1.072 439 V CA 1.441 63.770 62.300 0.048 0.000 1.084 439 V CB -0.823 30.988 31.823 -0.020 0.000 0.676 439 V HN 0.627 nan 8.190 nan 0.000 0.469 440 Y N -0.344 120.137 120.300 0.301 0.000 2.466 440 Y HA 0.251 4.832 4.550 0.052 0.000 0.272 440 Y C 1.432 177.639 175.900 0.512 0.000 1.169 440 Y CA -0.248 58.093 58.100 0.402 0.000 1.285 440 Y CB -0.190 38.417 38.460 0.245 0.000 1.078 440 Y HN 0.189 nan 8.280 nan 0.000 0.523 441 R N -2.764 118.011 120.500 0.459 0.000 3.875 441 R HA -0.261 4.110 4.340 0.052 0.000 0.321 441 R C 0.506 177.154 176.300 0.579 0.000 1.196 441 R CA 0.739 57.092 56.100 0.422 0.000 0.868 441 R CB -2.603 27.865 30.300 0.280 0.000 1.333 441 R HN 0.429 nan 8.270 nan 0.000 0.522 442 C N -1.527 118.107 119.300 0.557 0.000 2.426 442 C HA 0.264 4.755 4.460 0.052 0.000 0.318 442 C C 0.866 176.038 174.990 0.305 0.000 1.451 442 C CA 0.215 59.533 59.018 0.500 0.000 2.090 442 C CB 0.734 28.779 27.740 0.508 0.000 2.151 442 C HN 0.233 nan 8.230 nan 0.000 0.608 443 V N 2.836 122.940 119.914 0.317 0.000 2.419 443 V HA 0.355 4.506 4.120 0.052 0.000 0.287 443 V C -1.382 174.986 176.094 0.456 0.000 1.017 443 V CA -0.349 62.090 62.300 0.231 0.000 0.844 443 V CB 1.269 33.010 31.823 -0.137 0.000 1.011 443 V HN 0.353 nan 8.190 nan 0.000 0.429 444 D N 2.945 123.530 120.400 0.308 0.000 2.354 444 D HA 0.651 5.322 4.640 0.052 0.000 0.247 444 D C 0.280 176.731 176.300 0.252 0.000 1.138 444 D CA 0.001 54.144 54.000 0.239 0.000 0.958 444 D CB 1.974 42.876 40.800 0.171 0.000 1.144 444 D HN 0.676 nan 8.370 nan 0.000 0.458 445 A N 1.213 124.076 122.820 0.072 0.000 2.312 445 A HA 0.412 4.763 4.320 0.052 0.000 0.328 445 A C -0.110 177.580 177.584 0.176 0.000 1.158 445 A CA -0.771 51.328 52.037 0.104 0.000 0.821 445 A CB 0.576 19.482 19.000 -0.156 0.000 1.170 445 A HN 0.428 nan 8.150 nan 0.000 0.490 446 N N 0.642 119.446 118.700 0.174 0.000 2.479 446 N HA 0.480 5.251 4.740 0.052 0.000 0.285 446 N C -0.906 174.691 175.510 0.144 0.000 1.075 446 N CA -0.109 53.023 53.050 0.136 0.000 0.967 446 N CB 1.842 40.385 38.487 0.094 0.000 1.137 446 N HN 0.325 nan 8.380 nan 0.000 0.472 447 V N 0.522 120.511 119.914 0.125 0.000 2.864 447 V HA 0.867 5.018 4.120 0.052 0.000 0.314 447 V C -0.282 175.861 176.094 0.082 0.000 1.073 447 V CA -0.773 61.605 62.300 0.130 0.000 0.956 447 V CB 1.775 33.674 31.823 0.127 0.000 1.023 447 V HN 0.836 nan 8.190 nan 0.000 0.435 448 A N 2.315 125.183 122.820 0.081 0.000 2.549 448 A HA 0.724 5.075 4.320 0.052 0.000 0.297 448 A C -0.090 177.555 177.584 0.101 0.000 1.061 448 A CA -0.610 51.463 52.037 0.060 0.000 0.690 448 A CB 1.175 20.189 19.000 0.024 0.000 1.287 448 A HN 0.880 nan 8.150 nan 0.000 0.402 449 N N -0.897 117.851 118.700 0.081 0.000 2.688 449 N HA -0.162 4.609 4.740 0.052 0.000 0.258 449 N C -0.183 175.428 175.510 0.170 0.000 1.016 449 N CA 1.361 54.470 53.050 0.097 0.000 0.747 449 N CB -0.842 37.695 38.487 0.083 0.000 0.895 449 N HN 1.482 nan 8.380 nan 0.000 0.543 450 A N 0.368 123.253 122.820 0.109 0.000 2.423 450 A HA 0.731 5.082 4.320 0.052 0.000 0.304 450 A C -0.085 177.433 177.584 -0.111 0.000 1.104 450 A CA -0.654 51.392 52.037 0.015 0.000 0.757 450 A CB 1.726 20.733 19.000 0.013 0.000 1.313 450 A HN 0.329 nan 8.150 nan 0.000 0.423 451 E N 1.289 121.363 120.200 -0.211 0.000 2.272 451 E HA 0.553 4.934 4.350 0.052 0.000 0.269 451 E C -0.914 175.522 176.600 -0.274 0.000 0.877 451 E CA -0.833 55.453 56.400 -0.191 0.000 0.755 451 E CB 1.391 31.013 29.700 -0.129 0.000 1.192 451 E HN 0.586 nan 8.360 nan 0.000 0.422 452 R N 1.435 121.788 120.500 -0.246 0.000 2.537 452 R HA 0.322 4.693 4.340 0.052 0.000 0.280 452 R C 0.137 176.302 176.300 -0.226 0.000 1.058 452 R CA -0.098 55.828 56.100 -0.290 0.000 1.057 452 R CB 0.972 31.112 30.300 -0.266 0.000 0.973 452 R HN 0.538 nan 8.270 nan 0.000 0.438 453 V N 0.084 119.856 119.914 -0.235 0.000 3.141 453 V HA 0.556 4.707 4.120 0.052 0.000 0.312 453 V C -2.656 173.401 176.094 -0.062 0.000 1.157 453 V CA -3.168 59.055 62.300 -0.128 0.000 1.041 453 V CB 2.011 33.762 31.823 -0.120 0.000 1.071 453 V HN 0.535 nan 8.190 nan 0.000 0.441 454 P HA 0.258 nan 4.420 nan 0.000 0.262 454 P C -0.111 177.301 177.300 0.186 0.000 1.199 454 P CA 0.777 63.990 63.100 0.189 0.000 0.763 454 P CB -0.119 31.641 31.700 0.101 0.000 0.790 455 N N 1.486 120.410 118.700 0.373 0.000 2.800 455 N HA -0.155 4.616 4.740 0.052 0.000 0.250 455 N C 0.543 176.160 175.510 0.178 0.000 1.078 455 N CA 1.748 54.943 53.050 0.241 0.000 0.804 455 N CB -1.450 37.149 38.487 0.187 0.000 1.135 455 N HN 0.703 nan 8.380 nan 0.000 0.565 456 G N -1.315 107.492 108.800 0.011 0.000 2.452 456 G HA2 0.497 4.488 3.960 0.052 0.000 0.224 456 G HA3 0.497 4.488 3.960 0.052 0.000 0.224 456 G C -1.897 172.683 174.900 -0.533 0.000 1.208 456 G CA -0.565 44.471 45.100 -0.108 0.000 0.946 456 G HN 0.116 nan 8.290 nan 0.000 0.481 457 L N 0.281 121.078 121.223 -0.709 0.000 2.422 457 L HA 0.632 5.003 4.340 0.052 0.000 0.264 457 L C -0.480 175.827 176.870 -0.937 0.000 0.984 457 L CA -0.846 53.444 54.840 -0.917 0.000 0.819 457 L CB 2.667 43.940 42.059 -1.311 0.000 1.330 457 L HN 0.618 nan 8.230 nan 0.000 0.410 458 K N 2.153 122.093 120.400 -0.766 0.000 2.235 458 K HA 0.588 4.939 4.320 0.052 0.000 0.266 458 K C -1.543 174.690 176.600 -0.611 0.000 0.980 458 K CA -0.380 55.567 56.287 -0.567 0.000 0.849 458 K CB 0.985 33.325 32.500 -0.266 0.000 1.098 458 K HN 0.326 nan 8.250 nan 0.000 0.445 459 F N 2.957 122.891 119.950 -0.027 0.000 2.421 459 F HA 0.357 4.915 4.527 0.052 0.000 0.337 459 F C 0.582 176.388 175.800 0.011 0.000 1.105 459 F CA -0.817 57.178 58.000 -0.008 0.000 1.049 459 F CB 1.378 40.392 39.000 0.024 0.000 1.139 459 F HN 0.471 nan 8.300 nan 0.000 0.479 460 N N 2.270 121.089 118.700 0.198 0.000 2.572 460 N HA 0.522 5.293 4.740 0.052 0.000 0.287 460 N C -0.837 174.732 175.510 0.099 0.000 1.136 460 N CA -0.011 53.112 53.050 0.122 0.000 0.900 460 N CB 1.797 40.324 38.487 0.068 0.000 1.484 460 N HN 0.934 nan 8.380 nan 0.000 0.526 461 G N 0.674 109.527 108.800 0.088 0.000 2.362 461 G HA2 -0.043 3.948 3.960 0.052 0.000 0.656 461 G HA3 -0.043 3.948 3.960 0.052 0.000 0.656 461 G C -1.153 173.777 174.900 0.050 0.000 1.376 461 G CA -0.710 44.426 45.100 0.060 0.000 0.971 461 G HN 0.364 nan 8.290 nan 0.000 0.636 462 V N 1.515 121.448 119.914 0.032 0.000 2.539 462 V HA 0.322 4.473 4.120 0.052 0.000 0.300 462 V C 1.988 178.088 176.094 0.008 0.000 1.019 462 V CA 2.343 64.653 62.300 0.017 0.000 1.160 462 V CB 0.466 32.295 31.823 0.010 0.000 0.901 462 V HN 2.770 nan 8.190 nan 0.000 0.481 463 G N 3.819 112.616 108.800 -0.006 0.000 2.153 463 G HA2 -0.175 3.816 3.960 0.052 0.000 0.252 463 G HA3 -0.175 3.816 3.960 0.052 0.000 0.252 463 G C 0.561 175.435 174.900 -0.043 0.000 0.994 463 G CA -0.052 45.032 45.100 -0.027 0.000 0.698 463 G HN 1.506 nan 8.290 nan 0.000 0.521 464 G N -0.240 108.550 108.800 -0.016 0.000 2.272 464 G HA2 0.678 4.669 3.960 0.052 0.000 0.247 464 G HA3 0.678 4.669 3.960 0.052 0.000 0.247 464 G C 0.724 175.405 174.900 -0.365 0.000 1.272 464 G CA 1.204 46.298 45.100 -0.009 0.000 0.921 464 G HN 1.797 nan 8.290 nan 0.000 0.495 465 G N -0.115 108.243 108.800 -0.736 0.000 2.356 465 G HA2 0.635 4.626 3.960 0.052 0.000 0.288 465 G HA3 0.635 4.626 3.960 0.052 0.000 0.288 465 G C -1.040 173.564 174.900 -0.492 0.000 1.302 465 G CA -0.006 44.325 45.100 -1.283 0.000 0.887 465 G HN 1.836 nan 8.290 nan 0.000 0.521 466 A N -1.218 121.495 122.820 -0.178 0.000 2.475 466 A HA 0.857 5.208 4.320 0.052 0.000 0.301 466 A C -1.008 176.704 177.584 0.213 0.000 1.059 466 A CA -0.556 51.573 52.037 0.154 0.000 0.710 466 A CB 2.166 21.445 19.000 0.464 0.000 1.288 466 A HN 1.735 nan 8.150 nan 0.000 0.408 467 V N 1.804 121.851 119.914 0.222 0.000 2.378 467 V HA 0.349 4.501 4.120 0.052 0.000 0.288 467 V C -1.211 175.104 176.094 0.368 0.000 1.016 467 V CA -0.376 62.092 62.300 0.280 0.000 0.840 467 V CB 1.340 33.220 31.823 0.095 0.000 0.994 467 V HN 0.831 nan 8.190 nan 0.000 0.431 468 W N 9.267 130.723 121.300 0.261 0.000 2.288 468 W HA 0.506 5.198 4.660 0.053 0.000 0.325 468 W C -2.523 174.139 176.519 0.238 0.000 1.019 468 W CA -3.203 54.296 57.345 0.256 0.000 1.403 468 W CB 1.293 30.940 29.460 0.312 0.000 1.226 468 W HN 0.351 nan 8.180 nan 0.000 0.391 469 P HA 0.063 nan 4.420 nan 0.000 0.271 469 P C 0.165 177.441 177.300 -0.040 0.000 1.216 469 P CA 0.302 63.463 63.100 0.102 0.000 0.771 469 P CB 1.935 33.654 31.700 0.031 0.000 0.864 470 V N 3.407 123.262 119.914 -0.099 0.000 4.566 470 V HA 0.165 4.316 4.120 0.052 0.000 0.178 470 V C 2.323 178.308 176.094 -0.181 0.000 1.015 470 V CA 1.142 63.316 62.300 -0.209 0.000 1.443 470 V CB -1.311 30.273 31.823 -0.399 0.000 2.066 470 V HN 0.448 nan 8.190 nan 0.000 0.437 471 A N 0.017 122.741 122.820 -0.160 0.000 2.024 471 A HA -0.204 4.147 4.320 0.052 0.000 0.220 471 A C 2.071 179.597 177.584 -0.096 0.000 1.164 471 A CA 1.753 53.716 52.037 -0.123 0.000 0.643 471 A CB -0.652 18.291 19.000 -0.096 0.000 0.806 471 A HN 0.528 nan 8.150 nan 0.000 0.451 472 R N -0.432 120.024 120.500 -0.074 0.000 2.328 472 R HA -0.089 4.282 4.340 0.052 0.000 0.207 472 R C 1.895 178.156 176.300 -0.065 0.000 1.056 472 R CA 0.900 56.965 56.100 -0.058 0.000 1.016 472 R CB -0.212 30.061 30.300 -0.045 0.000 0.872 472 R HN 0.704 nan 8.270 nan 0.000 0.471 473 Q N -0.290 119.452 119.800 -0.097 0.000 2.224 473 Q HA -0.041 4.330 4.340 0.052 0.000 0.203 473 Q C 1.132 177.083 176.000 -0.082 0.000 0.970 473 Q CA 0.891 56.631 55.803 -0.105 0.000 0.865 473 Q CB 0.181 28.815 28.738 -0.173 0.000 0.922 473 Q HN 0.520 nan 8.270 nan 0.000 0.445 474 G N 0.437 109.187 108.800 -0.084 0.000 2.754 474 G HA2 -0.422 3.570 3.960 0.052 0.000 0.241 474 G HA3 -0.422 3.570 3.960 0.052 0.000 0.241 474 G C 0.405 175.258 174.900 -0.078 0.000 1.281 474 G CA 0.275 45.335 45.100 -0.067 0.000 0.971 474 G HN 0.323 nan 8.290 nan 0.000 0.569 475 Q N 0.056 119.821 119.800 -0.058 0.000 1.993 475 Q HA 0.093 4.465 4.340 0.052 0.000 0.202 475 Q C 1.011 176.950 176.000 -0.101 0.000 0.984 475 Q CA 1.987 57.754 55.803 -0.059 0.000 0.837 475 Q CB -0.198 28.531 28.738 -0.015 0.000 0.902 475 Q HN 0.579 nan 8.270 nan 0.000 0.423 476 T N 1.942 116.439 114.554 -0.096 0.000 2.733 476 T HA 0.377 4.758 4.350 0.052 0.000 0.294 476 T C -0.870 173.673 174.700 -0.261 0.000 0.956 476 T CA -0.401 61.575 62.100 -0.207 0.000 0.987 476 T CB 0.774 69.582 68.868 -0.100 0.000 0.920 476 T HN 0.179 nan 8.240 nan 0.000 0.470 477 R N 3.253 123.544 120.500 -0.348 0.000 2.423 477 R HA 0.300 4.671 4.340 0.052 0.000 0.293 477 R C 0.994 177.081 176.300 -0.356 0.000 1.196 477 R CA -0.485 55.431 56.100 -0.307 0.000 1.262 477 R CB 0.934 31.086 30.300 -0.247 0.000 1.116 477 R HN 0.531 nan 8.270 nan 0.000 0.566 478 R N 0.592 120.886 120.500 -0.342 0.000 2.236 478 R HA -0.024 4.347 4.340 0.052 0.000 0.208 478 R C 0.611 176.918 176.300 0.013 0.000 1.036 478 R CA 1.036 56.978 56.100 -0.263 0.000 1.001 478 R CB 0.279 30.447 30.300 -0.221 0.000 0.896 478 R HN 0.584 nan 8.270 nan 0.000 0.464 479 Y N -0.204 119.906 120.300 -0.317 0.000 2.625 479 Y HA 0.033 4.614 4.550 0.052 0.000 0.285 479 Y C 1.808 177.230 175.900 -0.796 0.000 1.168 479 Y CA -0.733 56.984 58.100 -0.638 0.000 1.250 479 Y CB 0.553 38.658 38.460 -0.592 0.000 1.130 479 Y HN 0.028 nan 8.280 nan 0.000 0.526 480 Q N 1.496 121.107 119.800 -0.315 0.000 2.234 480 Q HA -0.217 4.155 4.340 0.052 0.000 0.206 480 Q C 1.679 177.553 176.000 -0.211 0.000 0.980 480 Q CA 2.025 57.679 55.803 -0.249 0.000 0.869 480 Q CB -0.715 27.918 28.738 -0.176 0.000 0.912 480 Q HN 0.665 nan 8.270 nan 0.000 0.436 481 F N -1.299 118.622 119.950 -0.050 0.000 2.202 481 F HA -0.001 4.557 4.527 0.052 0.000 0.301 481 F C 1.893 177.747 175.800 0.091 0.000 1.082 481 F CA 0.852 58.854 58.000 0.004 0.000 1.313 481 F CB -1.019 37.970 39.000 -0.019 0.000 1.024 481 F HN 0.094 nan 8.300 nan 0.000 0.495 482 A N 1.138 123.600 122.820 -0.597 0.000 2.070 482 A HA -0.176 4.175 4.320 0.052 0.000 0.220 482 A C 1.961 179.629 177.584 0.141 0.000 1.159 482 A CA 1.547 53.515 52.037 -0.115 0.000 0.656 482 A CB -0.926 17.811 19.000 -0.439 0.000 0.800 482 A HN 0.536 nan 8.150 nan 0.000 0.453 483 N N -1.820 116.889 118.700 0.015 0.000 2.453 483 N HA -0.133 4.638 4.740 0.052 0.000 0.183 483 N C 1.265 176.880 175.510 0.175 0.000 1.041 483 N CA 1.358 54.449 53.050 0.068 0.000 0.900 483 N CB -0.248 38.241 38.487 0.004 0.000 0.961 483 N HN 0.736 nan 8.380 nan 0.000 0.443 484 Y N 1.193 121.533 120.300 0.067 0.000 2.464 484 Y HA 0.164 4.746 4.550 0.053 0.000 0.288 484 Y C 0.343 176.290 175.900 0.079 0.000 1.133 484 Y CA 0.348 58.482 58.100 0.057 0.000 1.223 484 Y CB 0.535 39.022 38.460 0.045 0.000 1.187 484 Y HN -0.084 nan 8.280 nan 0.000 0.539 485 R N -0.413 120.167 120.500 0.134 0.000 2.664 485 R HA 0.461 4.832 4.340 0.052 0.000 0.260 485 R C -1.893 174.584 176.300 0.295 0.000 1.062 485 R CA -0.625 55.474 56.100 -0.002 0.000 0.902 485 R CB 0.991 31.180 30.300 -0.186 0.000 1.258 485 R HN 0.140 nan 8.270 nan 0.000 0.465 486 F N -1.706 118.299 119.950 0.092 0.000 2.741 486 F HA 0.731 5.289 4.527 0.052 0.000 0.313 486 F C -1.768 174.056 175.800 0.041 0.000 1.153 486 F CA -0.886 57.197 58.000 0.138 0.000 0.931 486 F CB 2.060 41.186 39.000 0.211 0.000 1.335 486 F HN 0.449 nan 8.300 nan 0.000 0.460 487 T N 2.869 117.586 114.554 0.273 0.000 2.879 487 T HA 0.630 5.011 4.350 0.052 0.000 0.290 487 T C -1.853 173.005 174.700 0.262 0.000 0.993 487 T CA -0.365 61.822 62.100 0.145 0.000 0.975 487 T CB 1.541 70.400 68.868 -0.015 0.000 0.981 487 T HN 0.781 nan 8.240 nan 0.000 0.439 488 L N 4.810 126.163 121.223 0.217 0.000 2.356 488 L HA 0.824 5.195 4.340 0.052 0.000 0.277 488 L C -1.190 175.695 176.870 0.025 0.000 0.996 488 L CA -0.509 54.353 54.840 0.038 0.000 0.822 488 L CB 1.486 43.473 42.059 -0.120 0.000 1.256 488 L HN 0.475 nan 8.230 nan 0.000 0.413 489 V N 3.900 123.830 119.914 0.027 0.000 2.769 489 V HA 1.024 5.175 4.120 0.052 0.000 0.312 489 V C -0.263 175.816 176.094 -0.025 0.000 1.061 489 V CA -0.151 62.133 62.300 -0.027 0.000 0.931 489 V CB 1.468 33.325 31.823 0.057 0.000 1.010 489 V HN 1.031 nan 8.190 nan 0.000 0.433 490 A N 2.135 124.890 122.820 -0.110 0.000 2.608 490 A HA 0.788 5.139 4.320 0.052 0.000 0.292 490 A C -0.707 176.872 177.584 -0.007 0.000 1.066 490 A CA -0.546 51.490 52.037 -0.001 0.000 0.676 490 A CB 1.863 20.886 19.000 0.037 0.000 1.277 490 A HN 0.624 nan 8.150 nan 0.000 0.413 491 T N 1.237 115.868 114.554 0.128 0.000 2.794 491 T HA 0.664 5.045 4.350 0.052 0.000 0.280 491 T C -0.176 174.623 174.700 0.165 0.000 0.987 491 T CA 0.020 62.230 62.100 0.183 0.000 0.993 491 T CB 1.010 70.014 68.868 0.226 0.000 0.939 491 T HN 1.837 nan 8.240 nan 0.000 0.449 492 V N 0.798 120.816 119.914 0.173 0.000 3.078 492 V HA 1.006 5.157 4.120 0.052 0.000 0.311 492 V C -0.552 175.638 176.094 0.161 0.000 1.138 492 V CA -1.031 61.361 62.300 0.154 0.000 1.007 492 V CB 2.063 33.967 31.823 0.136 0.000 1.045 492 V HN 0.953 nan 8.190 nan 0.000 0.432 493 T N 0.104 114.717 114.554 0.098 0.000 2.893 493 T HA 0.756 5.137 4.350 0.052 0.000 0.293 493 T C -0.674 173.999 174.700 -0.045 0.000 1.027 493 T CA -0.533 61.615 62.100 0.081 0.000 0.988 493 T CB 1.565 70.486 68.868 0.088 0.000 1.043 493 T HN 0.799 nan 8.240 nan 0.000 0.461 494 I N 2.889 123.357 120.570 -0.169 0.000 2.315 494 I HA 0.261 4.462 4.170 0.052 0.000 0.291 494 I C 0.285 176.298 176.117 -0.172 0.000 1.006 494 I CA -0.638 60.432 61.300 -0.383 0.000 1.265 494 I CB 1.169 38.599 38.000 -0.950 0.000 1.387 494 I HN 0.739 nan 8.210 nan 0.000 0.475 495 D N 4.660 125.016 120.400 -0.074 0.000 2.277 495 D HA 0.087 4.758 4.640 0.052 0.000 0.209 495 D C 0.182 176.499 176.300 0.029 0.000 0.970 495 D CA 0.876 54.896 54.000 0.034 0.000 0.874 495 D CB 0.548 41.405 40.800 0.096 0.000 0.982 495 D HN 0.572 nan 8.370 nan 0.000 0.504 496 E N 0.065 120.294 120.200 0.048 0.000 2.356 496 E HA 0.376 4.757 4.350 0.052 0.000 0.275 496 E C -0.676 176.021 176.600 0.162 0.000 0.904 496 E CA -0.656 55.801 56.400 0.095 0.000 0.757 496 E CB 2.666 32.432 29.700 0.111 0.000 1.232 496 E HN -0.110 nan 8.360 nan 0.000 0.442 497 L N 3.684 125.010 121.223 0.172 0.000 2.453 497 L HA 0.221 4.592 4.340 0.052 0.000 0.272 497 L C -1.700 175.293 176.870 0.204 0.000 1.182 497 L CA -1.271 53.710 54.840 0.235 0.000 0.858 497 L CB -0.242 41.905 42.059 0.146 0.000 1.120 497 L HN 0.297 nan 8.230 nan 0.000 0.474 498 P HA 0.117 nan 4.420 nan 0.000 0.276 498 P C -0.111 177.226 177.300 0.062 0.000 1.252 498 P CA -0.683 62.489 63.100 0.120 0.000 0.802 498 P CB 1.427 33.134 31.700 0.011 0.000 1.035 499 K N 0.498 120.915 120.400 0.028 0.000 2.026 499 K HA -0.061 4.290 4.320 0.052 0.000 0.208 499 K C 1.497 178.097 176.600 0.000 0.000 1.048 499 K CA 2.133 58.428 56.287 0.015 0.000 0.929 499 K CB -0.533 31.971 32.500 0.007 0.000 0.713 499 K HN 0.698 nan 8.250 nan 0.000 0.439 500 G N -1.465 107.323 108.800 -0.020 0.000 2.506 500 G HA2 0.160 4.152 3.960 0.052 0.000 0.188 500 G HA3 0.160 4.152 3.960 0.052 0.000 0.188 500 G C -0.625 174.241 174.900 -0.057 0.000 1.780 500 G CA -0.231 44.852 45.100 -0.029 0.000 0.727 500 G HN 0.189 nan 8.290 nan 0.000 0.784 501 T N 0.633 115.133 114.554 -0.089 0.000 2.841 501 T HA 0.678 5.059 4.350 0.052 0.000 0.283 501 T C -1.045 173.518 174.700 -0.228 0.000 1.000 501 T CA -0.158 61.853 62.100 -0.148 0.000 0.977 501 T CB 1.741 70.560 68.868 -0.081 0.000 0.979 501 T HN 0.337 nan 8.240 nan 0.000 0.446 502 S N 2.992 118.417 115.700 -0.458 0.000 2.548 502 S HA 0.724 5.225 4.470 0.052 0.000 0.286 502 S C -2.770 171.630 174.600 -0.334 0.000 1.098 502 S CA -1.736 56.212 58.200 -0.421 0.000 0.930 502 S CB 1.522 64.458 63.200 -0.441 0.000 1.070 502 S HN 0.411 nan 8.310 nan 0.000 0.480 503 P HA 0.271 nan 4.420 nan 0.000 0.278 503 P C -0.068 177.442 177.300 0.350 0.000 1.238 503 P CA -0.420 62.765 63.100 0.141 0.000 0.794 503 P CB 1.262 32.983 31.700 0.035 0.000 0.955 504 L N 2.978 124.456 121.223 0.425 0.000 2.641 504 L HA 0.526 4.897 4.340 0.052 0.000 0.207 504 L C -0.412 176.611 176.870 0.256 0.000 1.049 504 L CA 0.820 55.882 54.840 0.370 0.000 0.866 504 L CB 0.034 42.303 42.059 0.349 0.000 1.264 504 L HN 0.297 nan 8.230 nan 0.000 0.483 505 L N -0.289 121.023 121.223 0.149 0.000 2.545 505 L HA 0.785 5.156 4.340 0.052 0.000 0.258 505 L C -0.699 175.870 176.870 -0.502 0.000 0.942 505 L CA 0.572 55.319 54.840 -0.155 0.000 0.855 505 L CB 1.750 43.775 42.059 -0.057 0.000 1.374 505 L HN 0.319 nan 8.230 nan 0.000 0.411 506 G N 2.087 110.283 108.800 -1.007 0.000 2.320 506 G HA2 0.662 4.653 3.960 0.052 0.000 0.296 506 G HA3 0.662 4.653 3.960 0.052 0.000 0.296 506 G C -2.116 172.461 174.900 -0.537 0.000 1.306 506 G CA -0.126 44.515 45.100 -0.765 0.000 0.836 506 G HN 1.013 nan 8.290 nan 0.000 0.517 507 A N -0.513 122.232 122.820 -0.126 0.000 2.291 507 A HA 0.862 5.213 4.320 0.052 0.000 0.311 507 A C 0.492 178.032 177.584 -0.074 0.000 1.224 507 A CA 0.324 52.257 52.037 -0.175 0.000 0.821 507 A CB 0.950 19.853 19.000 -0.161 0.000 1.172 507 A HN 1.961 nan 8.150 nan 0.000 0.494 508 G N 0.941 109.599 108.800 -0.237 0.000 2.477 508 G HA2 0.571 4.562 3.960 0.052 0.000 0.304 508 G HA3 0.571 4.562 3.960 0.052 0.000 0.304 508 G C -0.521 174.305 174.900 -0.124 0.000 1.175 508 G CA -0.593 44.419 45.100 -0.146 0.000 0.907 508 G HN 0.693 nan 8.290 nan 0.000 0.509 509 L N 0.673 121.875 121.223 -0.036 0.000 2.334 509 L HA 0.381 4.752 4.340 0.052 0.000 0.276 509 L C 0.207 177.076 176.870 -0.001 0.000 1.014 509 L CA -1.027 53.796 54.840 -0.028 0.000 0.815 509 L CB 1.909 43.961 42.059 -0.011 0.000 1.268 509 L HN 0.405 nan 8.230 nan 0.000 0.428 510 E N 1.540 121.733 120.200 -0.010 0.000 2.418 510 E HA 0.429 4.810 4.350 0.052 0.000 0.261 510 E C 0.335 176.933 176.600 -0.004 0.000 1.070 510 E CA 0.583 56.981 56.400 -0.004 0.000 0.931 510 E CB 1.073 30.762 29.700 -0.019 0.000 0.954 510 E HN 0.802 nan 8.360 nan 0.000 0.439 511 G N 2.176 110.974 108.800 -0.003 0.000 2.371 511 G HA2 -0.059 3.932 3.960 0.052 0.000 0.663 511 G HA3 -0.059 3.932 3.960 0.052 0.000 0.663 511 G C -2.632 172.266 174.900 -0.003 0.000 1.311 511 G CA -0.799 44.298 45.100 -0.004 0.000 0.985 511 G HN 0.481 nan 8.290 nan 0.000 0.566 512 P HA 0.567 nan 4.420 nan 0.000 0.274 512 P C 0.903 178.200 177.300 -0.004 0.000 1.231 512 P CA 1.441 64.538 63.100 -0.005 0.000 0.790 512 P CB 0.972 32.669 31.700 -0.004 0.000 0.951 513 G N 1.829 110.625 108.800 -0.007 0.000 2.615 513 G HA2 -0.185 3.806 3.960 0.052 0.000 0.218 513 G HA3 -0.185 3.806 3.960 0.052 0.000 0.218 513 G C -0.860 174.034 174.900 -0.011 0.000 1.339 513 G CA 0.212 45.307 45.100 -0.009 0.000 0.884 513 G HN 0.763 nan 8.290 nan 0.000 0.559 514 D N -0.158 120.234 120.400 -0.015 0.000 2.879 514 D HA 0.617 5.288 4.640 0.052 0.000 0.351 514 D C 0.553 176.841 176.300 -0.021 0.000 1.239 514 D CA 0.897 54.883 54.000 -0.023 0.000 0.771 514 D CB -0.024 40.751 40.800 -0.041 0.000 1.176 514 D HN 0.987 nan 8.370 nan 0.000 0.496 515 A N 1.438 124.254 122.820 -0.006 0.000 2.340 515 A HA 0.678 5.030 4.320 0.052 0.000 0.268 515 A C -0.031 177.561 177.584 0.013 0.000 1.100 515 A CA -0.235 51.804 52.037 0.004 0.000 0.803 515 A CB 0.624 19.629 19.000 0.008 0.000 1.043 515 A HN 0.302 nan 8.150 nan 0.000 0.488 516 K N 0.981 121.400 120.400 0.031 0.000 2.371 516 K HA 0.422 4.773 4.320 0.052 0.000 0.251 516 K C 0.433 177.073 176.600 0.065 0.000 0.934 516 K CA -0.727 55.598 56.287 0.065 0.000 0.798 516 K CB 1.865 34.434 32.500 0.115 0.000 1.204 516 K HN 0.458 nan 8.250 nan 0.000 0.427 517 L N 2.459 123.724 121.223 0.070 0.000 2.023 517 L HA 0.264 4.635 4.340 0.052 0.000 0.205 517 L C -0.347 176.595 176.870 0.121 0.000 1.073 517 L CA 1.623 56.517 54.840 0.091 0.000 0.745 517 L CB 0.034 42.158 42.059 0.109 0.000 0.900 517 L HN 0.619 nan 8.230 nan 0.000 0.435 518 L N -1.106 120.205 121.223 0.147 0.000 2.545 518 L HA 0.730 5.101 4.340 0.052 0.000 0.258 518 L C -0.669 176.262 176.870 0.102 0.000 0.942 518 L CA 0.529 55.444 54.840 0.126 0.000 0.855 518 L CB 1.601 43.769 42.059 0.181 0.000 1.374 518 L HN 0.178 nan 8.230 nan 0.000 0.411 519 G N 2.516 111.325 108.800 0.016 0.000 2.488 519 G HA2 0.571 4.562 3.960 0.052 0.000 0.301 519 G HA3 0.571 4.562 3.960 0.052 0.000 0.301 519 G C -2.729 172.152 174.900 -0.031 0.000 1.339 519 G CA -0.501 44.610 45.100 0.018 0.000 0.803 519 G HN 0.865 nan 8.290 nan 0.000 0.482 520 L N 0.293 121.535 121.223 0.031 0.000 2.438 520 L HA 0.854 5.226 4.340 0.052 0.000 0.270 520 L C -0.244 176.737 176.870 0.186 0.000 0.972 520 L CA -0.321 54.546 54.840 0.044 0.000 0.831 520 L CB 1.873 43.906 42.059 -0.044 0.000 1.273 520 L HN 0.647 nan 8.230 nan 0.000 0.405 521 S N 2.529 118.354 115.700 0.209 0.000 2.751 521 S HA 0.865 5.366 4.470 0.052 0.000 0.310 521 S C -1.553 173.271 174.600 0.374 0.000 1.128 521 S CA -0.313 58.026 58.200 0.231 0.000 0.931 521 S CB 1.738 64.982 63.200 0.073 0.000 1.177 521 S HN 0.599 nan 8.310 nan 0.000 0.530 522 Y N -0.497 119.904 120.300 0.168 0.000 2.597 522 Y HA 0.782 5.364 4.550 0.052 0.000 0.340 522 Y C -1.252 174.760 175.900 0.186 0.000 1.097 522 Y CA -1.248 56.950 58.100 0.164 0.000 1.037 522 Y CB 0.784 39.147 38.460 -0.161 0.000 1.305 522 Y HN 0.674 nan 8.280 nan 0.000 0.463 523 D N -0.133 120.451 120.400 0.307 0.000 2.614 523 D HA 0.249 4.920 4.640 0.052 0.000 0.264 523 D C 0.254 176.663 176.300 0.181 0.000 1.092 523 D CA -0.951 53.124 54.000 0.126 0.000 1.071 523 D CB 1.359 42.189 40.800 0.051 0.000 1.443 523 D HN 0.720 nan 8.370 nan 0.000 0.528 524 K N -0.716 119.723 120.400 0.065 0.000 2.362 524 K HA -0.044 4.307 4.320 0.052 0.000 0.200 524 K C 0.305 176.876 176.600 -0.048 0.000 1.046 524 K CA 0.765 57.073 56.287 0.035 0.000 0.952 524 K CB -0.379 32.128 32.500 0.012 0.000 0.753 524 K HN 0.139 nan 8.250 nan 0.000 0.466 525 N N 1.344 119.996 118.700 -0.081 0.000 2.383 525 N HA 0.049 4.821 4.740 0.052 0.000 0.192 525 N C -0.579 174.725 175.510 -0.343 0.000 1.141 525 N CA 0.119 53.073 53.050 -0.161 0.000 0.851 525 N CB 0.206 38.626 38.487 -0.111 0.000 0.976 525 N HN 0.217 nan 8.380 nan 0.000 0.465 526 R N 0.051 120.245 120.500 -0.509 0.000 3.532 526 R HA -0.168 4.203 4.340 0.052 0.000 0.284 526 R C -0.649 174.924 176.300 -1.212 0.000 1.140 526 R CA 0.581 55.851 56.100 -1.384 0.000 0.768 526 R CB -1.976 27.481 30.300 -1.406 0.000 1.252 526 R HN 0.430 nan 8.270 nan 0.000 0.454 527 Q N -0.575 118.989 119.800 -0.394 0.000 2.351 527 Q HA 0.351 4.723 4.340 0.052 0.000 0.273 527 Q C -0.370 175.735 176.000 0.175 0.000 1.077 527 Q CA -0.776 54.933 55.803 -0.156 0.000 0.843 527 Q CB 1.236 29.948 28.738 -0.045 0.000 1.367 527 Q HN 0.144 nan 8.270 nan 0.000 0.449 528 W N 0.899 122.383 121.300 0.305 0.000 2.251 528 W HA 0.359 5.051 4.660 0.052 0.000 0.329 528 W C 0.384 176.974 176.519 0.120 0.000 1.234 528 W CA -0.467 57.010 57.345 0.219 0.000 1.228 528 W CB 0.739 30.269 29.460 0.117 0.000 1.135 528 W HN 0.246 nan 8.180 nan 0.000 0.576 529 R N 3.223 123.947 120.500 0.373 0.000 2.547 529 R HA 0.224 4.595 4.340 0.052 0.000 0.280 529 R C -2.523 173.824 176.300 0.078 0.000 1.630 529 R CA -1.710 54.496 56.100 0.177 0.000 1.470 529 R CB 0.766 31.137 30.300 0.119 0.000 1.178 529 R HN 0.090 nan 8.270 nan 0.000 0.591 530 P HA 0.080 nan 4.420 nan 0.000 0.271 530 P C -0.663 176.381 177.300 -0.426 0.000 1.216 530 P CA 0.016 62.955 63.100 -0.267 0.000 0.776 530 P CB 1.052 32.532 31.700 -0.367 0.000 0.881 531 L N 3.747 124.700 121.223 -0.451 0.000 2.325 531 L HA 0.426 4.797 4.340 0.052 0.000 0.281 531 L C -0.377 176.263 176.870 -0.384 0.000 1.004 531 L CA -0.762 53.895 54.840 -0.304 0.000 0.823 531 L CB 0.914 42.928 42.059 -0.076 0.000 1.236 531 L HN 0.352 nan 8.230 nan 0.000 0.415 532 Y N 2.238 122.556 120.300 0.030 0.000 2.712 532 Y HA 0.518 5.099 4.550 0.052 0.000 0.328 532 Y C 1.186 177.097 175.900 0.018 0.000 0.995 532 Y CA -0.150 57.959 58.100 0.015 0.000 1.283 532 Y CB 1.447 39.905 38.460 -0.004 0.000 1.092 532 Y HN 0.930 nan 8.280 nan 0.000 0.519 533 G N 2.031 110.917 108.800 0.143 0.000 2.583 533 G HA2 -0.350 3.641 3.960 0.052 0.000 0.292 533 G HA3 -0.350 3.641 3.960 0.052 0.000 0.292 533 G C 0.933 175.879 174.900 0.077 0.000 1.203 533 G CA 0.338 45.497 45.100 0.098 0.000 0.987 533 G HN 0.909 nan 8.290 nan 0.000 0.554 534 A N 0.344 123.203 122.820 0.065 0.000 2.348 534 A HA 0.784 5.135 4.320 0.052 0.000 0.224 534 A C 1.409 179.024 177.584 0.051 0.000 1.227 534 A CA 1.518 53.584 52.037 0.048 0.000 0.885 534 A CB -0.476 18.544 19.000 0.034 0.000 0.933 534 A HN 2.357 nan 8.150 nan 0.000 0.506 535 A N 1.150 124.014 122.820 0.075 0.000 2.425 535 A HA 0.521 4.872 4.320 0.052 0.000 0.242 535 A C -2.231 175.397 177.584 0.072 0.000 1.077 535 A CA -0.937 51.146 52.037 0.077 0.000 0.781 535 A CB -0.551 18.514 19.000 0.107 0.000 1.020 535 A HN 0.243 nan 8.150 nan 0.000 0.494 536 P HA 0.251 nan 4.420 nan 0.000 0.263 536 P C -0.413 176.923 177.300 0.060 0.000 1.195 536 P CA 0.409 63.537 63.100 0.047 0.000 0.762 536 P CB 0.606 32.329 31.700 0.039 0.000 0.799 537 A N 3.191 126.036 122.820 0.041 0.000 2.805 537 A HA 0.357 4.708 4.320 0.052 0.000 0.301 537 A C 0.695 178.307 177.584 0.047 0.000 1.557 537 A CA -0.223 51.834 52.037 0.035 0.000 1.254 537 A CB -0.930 18.076 19.000 0.009 0.000 1.114 537 A HN 0.532 nan 8.150 nan 0.000 0.553 538 S N 2.687 118.428 115.700 0.068 0.000 2.565 538 S HA 0.590 5.091 4.470 0.052 0.000 0.274 538 S C -2.584 172.065 174.600 0.081 0.000 1.309 538 S CA -1.299 56.940 58.200 0.066 0.000 1.043 538 S CB 0.570 63.808 63.200 0.064 0.000 0.939 538 S HN 0.415 nan 8.310 nan 0.000 0.504 539 P HA 0.398 nan 4.420 nan 0.000 0.271 539 P C -0.314 177.046 177.300 0.100 0.000 1.218 539 P CA -0.101 63.053 63.100 0.091 0.000 0.780 539 P CB 0.801 32.535 31.700 0.057 0.000 0.901 540 T N 0.015 114.655 114.554 0.142 0.000 2.840 540 T HA 0.590 4.971 4.350 0.052 0.000 0.317 540 T C -0.144 174.669 174.700 0.189 0.000 1.401 540 T CA 0.522 62.707 62.100 0.142 0.000 1.028 540 T CB 0.708 69.664 68.868 0.147 0.000 1.317 540 T HN 0.778 nan 8.240 nan 0.000 0.495 541 G N 1.931 110.819 108.800 0.148 0.000 2.645 541 G HA2 0.123 4.114 3.960 0.052 0.000 0.246 541 G HA3 0.123 4.114 3.960 0.052 0.000 0.246 541 G C -0.154 174.775 174.900 0.049 0.000 1.322 541 G CA 0.216 45.421 45.100 0.174 0.000 0.898 541 G HN 1.705 nan 8.290 nan 0.000 0.573 542 S N -0.439 115.279 115.700 0.030 0.000 2.535 542 S HA 0.734 5.235 4.470 0.052 0.000 0.272 542 S C -0.915 173.592 174.600 -0.155 0.000 1.149 542 S CA 0.376 58.466 58.200 -0.184 0.000 0.888 542 S CB 0.854 63.989 63.200 -0.108 0.000 1.110 542 S HN 1.725 nan 8.310 nan 0.000 0.463 543 W N 0.901 121.985 121.300 -0.360 0.000 3.032 543 W HA 0.858 5.549 4.660 0.052 0.000 0.341 543 W C -0.719 175.742 176.519 -0.096 0.000 1.202 543 W CA -0.503 56.654 57.345 -0.313 0.000 1.132 543 W CB 0.582 29.459 29.460 -0.973 0.000 1.465 543 W HN 0.832 nan 8.180 nan 0.000 0.576 544 E N 1.497 122.035 120.200 0.562 0.000 2.238 544 E HA 0.567 4.948 4.350 0.052 0.000 0.267 544 E C -0.962 175.958 176.600 0.533 0.000 0.887 544 E CA -1.167 55.442 56.400 0.349 0.000 0.769 544 E CB 2.179 32.026 29.700 0.245 0.000 1.187 544 E HN 0.566 nan 8.360 nan 0.000 0.416 545 L N 1.874 123.289 121.223 0.320 0.000 2.506 545 L HA 0.137 4.508 4.340 0.052 0.000 0.281 545 L C 0.976 177.827 176.870 -0.032 0.000 1.228 545 L CA 1.295 56.171 54.840 0.060 0.000 0.850 545 L CB -0.069 41.806 42.059 -0.307 0.000 1.110 545 L HN 1.157 nan 8.230 nan 0.000 0.496 546 H N -1.096 118.072 119.070 0.163 0.000 4.515 546 H HA -0.229 4.358 4.556 0.052 0.000 0.114 546 H C 0.542 175.915 175.328 0.074 0.000 0.658 546 H CA 1.512 57.617 56.048 0.095 0.000 1.231 546 H CB -0.758 29.049 29.762 0.075 0.000 0.647 546 H HN 0.519 nan 8.280 nan 0.000 0.590 547 K N 2.449 122.953 120.400 0.174 0.000 2.322 547 K HA 0.472 4.823 4.320 0.052 0.000 0.283 547 K C 0.232 176.731 176.600 -0.170 0.000 1.042 547 K CA 0.477 56.757 56.287 -0.012 0.000 0.958 547 K CB 0.556 33.016 32.500 -0.066 0.000 0.984 547 K HN 0.327 nan 8.250 nan 0.000 0.473 548 K N 3.750 124.048 120.400 -0.171 0.000 2.379 548 K HA 0.156 4.508 4.320 0.052 0.000 0.284 548 K C -1.275 175.174 176.600 -0.251 0.000 1.044 548 K CA 0.340 56.571 56.287 -0.094 0.000 0.974 548 K CB -0.041 32.461 32.500 0.002 0.000 0.962 548 K HN 0.554 nan 8.250 nan 0.000 0.474 549 Y N 0.138 120.559 120.300 0.202 0.000 2.446 549 Y HA 0.360 4.942 4.550 0.052 0.000 0.345 549 Y C 0.176 176.212 175.900 0.225 0.000 0.984 549 Y CA -0.827 57.415 58.100 0.237 0.000 1.058 549 Y CB 2.174 40.792 38.460 0.262 0.000 1.220 549 Y HN 0.826 nan 8.280 nan 0.000 0.455 550 H N 1.705 120.963 119.070 0.314 0.000 2.562 550 H HA 0.614 5.201 4.556 0.052 0.000 0.314 550 H C -1.336 174.056 175.328 0.107 0.000 1.079 550 H CA -0.432 55.754 56.048 0.230 0.000 1.349 550 H CB 0.686 30.662 29.762 0.357 0.000 1.432 550 H HN 0.412 nan 8.280 nan 0.000 0.479 551 V N 6.504 126.245 119.914 -0.287 0.000 2.495 551 V HA 0.382 4.534 4.120 0.052 0.000 0.298 551 V C -0.665 175.263 176.094 -0.277 0.000 1.031 551 V CA -0.773 61.382 62.300 -0.242 0.000 0.871 551 V CB 1.716 33.427 31.823 -0.187 0.000 0.988 551 V HN 0.577 nan 8.190 nan 0.000 0.432 552 V N 6.118 125.955 119.914 -0.129 0.000 2.588 552 V HA 0.536 4.688 4.120 0.052 0.000 0.304 552 V C -0.545 175.583 176.094 0.057 0.000 1.042 552 V CA -0.529 61.734 62.300 -0.062 0.000 0.877 552 V CB 2.014 33.776 31.823 -0.103 0.000 0.996 552 V HN 0.658 nan 8.190 nan 0.000 0.425 553 L N 4.575 125.826 121.223 0.047 0.000 2.313 553 L HA 0.770 5.141 4.340 0.052 0.000 0.283 553 L C 0.090 176.956 176.870 -0.006 0.000 1.013 553 L CA -0.382 54.503 54.840 0.074 0.000 0.816 553 L CB 2.081 44.232 42.059 0.154 0.000 1.236 553 L HN 0.780 nan 8.230 nan 0.000 0.419 554 T N 0.758 115.275 114.554 -0.062 0.000 2.863 554 T HA 0.702 5.083 4.350 0.052 0.000 0.285 554 T C -0.521 173.954 174.700 -0.374 0.000 1.009 554 T CA -0.713 61.250 62.100 -0.228 0.000 0.989 554 T CB 2.400 71.215 68.868 -0.088 0.000 1.004 554 T HN 0.449 nan 8.240 nan 0.000 0.455 555 M N 2.654 121.877 119.600 -0.628 0.000 2.213 555 M HA 0.714 5.225 4.480 0.052 0.000 0.286 555 M C -1.722 174.348 176.300 -0.384 0.000 1.008 555 M CA -0.382 54.596 55.300 -0.536 0.000 0.937 555 M CB 1.268 33.376 32.600 -0.820 0.000 1.600 555 M HN 1.215 nan 8.290 nan 0.000 0.450 556 A N 3.462 126.122 122.820 -0.266 0.000 2.608 556 A HA 0.645 4.997 4.320 0.052 0.000 0.292 556 A C -0.666 176.786 177.584 -0.221 0.000 1.066 556 A CA -0.449 51.422 52.037 -0.277 0.000 0.676 556 A CB 0.829 19.679 19.000 -0.251 0.000 1.277 556 A HN 0.836 nan 8.150 nan 0.000 0.413 557 D N 0.348 120.596 120.400 -0.253 0.000 2.737 557 D HA -0.208 4.463 4.640 0.052 0.000 0.233 557 D C 0.580 176.817 176.300 -0.105 0.000 1.155 557 D CA 1.594 55.503 54.000 -0.152 0.000 0.667 557 D CB -0.869 39.865 40.800 -0.109 0.000 1.060 557 D HN 0.831 nan 8.370 nan 0.000 0.427 558 R N -2.433 118.003 120.500 -0.107 0.000 4.000 558 R HA -0.266 4.105 4.340 0.052 0.000 0.362 558 R C 0.313 176.577 176.300 -0.060 0.000 1.183 558 R CA 1.431 57.496 56.100 -0.059 0.000 1.011 558 R CB -1.483 28.801 30.300 -0.027 0.000 1.501 558 R HN 0.485 nan 8.270 nan 0.000 0.553 559 Q N -0.710 119.037 119.800 -0.088 0.000 2.248 559 Q HA 0.670 5.041 4.340 0.052 0.000 0.263 559 Q C 0.203 176.151 176.000 -0.087 0.000 1.007 559 Q CA -0.290 55.463 55.803 -0.084 0.000 0.877 559 Q CB 2.272 30.954 28.738 -0.093 0.000 1.315 559 Q HN 0.241 nan 8.270 nan 0.000 0.454 560 G N 0.288 109.056 108.800 -0.053 0.000 2.662 560 G HA2 0.578 4.569 3.960 0.052 0.000 0.302 560 G HA3 0.578 4.569 3.960 0.052 0.000 0.302 560 G C -1.135 173.787 174.900 0.038 0.000 1.389 560 G CA -0.321 44.780 45.100 0.001 0.000 0.998 560 G HN 0.411 nan 8.290 nan 0.000 0.502 561 S N -0.562 115.158 115.700 0.033 0.000 2.568 561 S HA 0.761 5.262 4.470 0.052 0.000 0.293 561 S C -0.631 173.980 174.600 0.018 0.000 1.089 561 S CA -0.613 57.586 58.200 -0.001 0.000 0.945 561 S CB 2.176 65.316 63.200 -0.099 0.000 1.077 561 S HN 0.603 nan 8.310 nan 0.000 0.485 562 V N 2.721 122.576 119.914 -0.098 0.000 2.483 562 V HA 0.468 4.619 4.120 0.052 0.000 0.297 562 V C -1.714 174.219 176.094 -0.268 0.000 1.027 562 V CA -0.654 61.584 62.300 -0.103 0.000 0.855 562 V CB 0.943 32.688 31.823 -0.129 0.000 0.995 562 V HN 0.843 nan 8.190 nan 0.000 0.424 563 Y N 2.951 123.167 120.300 -0.141 0.000 2.377 563 Y HA 0.724 5.306 4.550 0.052 0.000 0.339 563 Y C 0.015 175.775 175.900 -0.232 0.000 1.011 563 Y CA -0.989 57.017 58.100 -0.157 0.000 1.093 563 Y CB 2.148 40.541 38.460 -0.112 0.000 1.201 563 Y HN 0.361 nan 8.280 nan 0.000 0.455 564 V N 3.084 122.928 119.914 -0.116 0.000 2.487 564 V HA 0.247 4.398 4.120 0.052 0.000 0.298 564 V C -0.727 175.321 176.094 -0.077 0.000 1.028 564 V CA -1.175 61.016 62.300 -0.180 0.000 0.860 564 V CB 1.530 33.104 31.823 -0.415 0.000 0.991 564 V HN 0.869 nan 8.190 nan 0.000 0.427 565 D N 4.254 124.630 120.400 -0.039 0.000 2.689 565 D HA -0.191 4.480 4.640 0.052 0.000 0.237 565 D C 1.340 177.095 176.300 -0.907 0.000 1.148 565 D CA 1.777 55.504 54.000 -0.455 0.000 0.656 565 D CB -1.073 39.631 40.800 -0.160 0.000 1.050 565 D HN 1.423 nan 8.370 nan 0.000 0.426 566 G N -1.177 107.337 108.800 -0.476 0.000 2.184 566 G HA2 -0.344 3.648 3.960 0.052 0.000 0.264 566 G HA3 -0.344 3.648 3.960 0.052 0.000 0.264 566 G C 0.131 175.016 174.900 -0.025 0.000 0.975 566 G CA 0.533 45.455 45.100 -0.295 0.000 0.642 566 G HN 0.421 nan 8.290 nan 0.000 0.536 567 Q N 0.342 120.142 119.800 0.000 0.000 2.337 567 Q HA 0.507 4.878 4.340 0.052 0.000 0.266 567 Q C -2.637 173.353 176.000 -0.016 0.000 1.023 567 Q CA -2.116 53.715 55.803 0.047 0.000 0.829 567 Q CB 2.414 31.137 28.738 -0.024 0.000 1.306 567 Q HN 0.230 nan 8.270 nan 0.000 0.449 568 P HA 0.177 nan 4.420 nan 0.000 0.275 568 P C -0.252 176.896 177.300 -0.253 0.000 1.227 568 P CA -0.135 62.656 63.100 -0.516 0.000 0.781 568 P CB 0.706 32.096 31.700 -0.517 0.000 0.906 569 L N 1.666 122.749 121.223 -0.234 0.000 2.439 569 L HA 0.440 4.812 4.340 0.052 0.000 0.261 569 L C 1.084 177.937 176.870 -0.028 0.000 1.153 569 L CA -1.082 53.704 54.840 -0.090 0.000 0.808 569 L CB 0.503 42.517 42.059 -0.076 0.000 1.126 569 L HN 0.405 nan 8.230 nan 0.000 0.460 570 A N 1.334 124.167 122.820 0.023 0.000 2.565 570 A HA 0.360 4.712 4.320 0.052 0.000 0.237 570 A C 1.166 178.797 177.584 0.078 0.000 1.053 570 A CA 0.820 52.874 52.037 0.029 0.000 0.755 570 A CB -0.307 18.722 19.000 0.049 0.000 0.980 570 A HN 1.137 nan 8.150 nan 0.000 0.506 571 G N 1.323 110.094 108.800 -0.048 0.000 2.234 571 G HA2 -0.202 3.789 3.960 0.052 0.000 0.235 571 G HA3 -0.202 3.789 3.960 0.052 0.000 0.235 571 G C 0.615 175.127 174.900 -0.646 0.000 0.997 571 G CA 0.337 45.286 45.100 -0.252 0.000 0.623 571 G HN 1.262 nan 8.290 nan 0.000 0.514 572 S N 0.413 115.938 115.700 -0.292 0.000 2.560 572 S HA 0.439 4.940 4.470 0.052 0.000 0.284 572 S C 1.575 175.996 174.600 -0.299 0.000 1.327 572 S CA 1.600 59.630 58.200 -0.283 0.000 1.055 572 S CB 0.991 64.046 63.200 -0.242 0.000 0.868 572 S HN 2.141 nan 8.310 nan 0.000 0.506 573 G N 2.798 111.444 108.800 -0.256 0.000 2.175 573 G HA2 -0.215 3.776 3.960 0.052 0.000 0.244 573 G HA3 -0.215 3.776 3.960 0.052 0.000 0.244 573 G C -0.048 174.721 174.900 -0.217 0.000 0.982 573 G CA -0.400 44.585 45.100 -0.192 0.000 0.641 573 G HN 0.598 nan 8.290 nan 0.000 0.527 574 N N 1.038 119.530 118.700 -0.348 0.000 2.503 574 N HA 0.421 5.192 4.740 0.052 0.000 0.267 574 N C 0.483 175.897 175.510 -0.161 0.000 1.214 574 N CA 0.363 53.243 53.050 -0.285 0.000 0.959 574 N CB 0.568 38.805 38.487 -0.417 0.000 1.142 574 N HN 0.143 nan 8.380 nan 0.000 0.455 575 T N 0.690 115.184 114.554 -0.100 0.000 2.867 575 T HA 0.119 4.501 4.350 0.052 0.000 0.297 575 T C 1.640 176.333 174.700 -0.012 0.000 0.989 575 T CA -0.282 61.788 62.100 -0.050 0.000 1.159 575 T CB 0.292 69.137 68.868 -0.038 0.000 0.928 575 T HN 0.388 nan 8.240 nan 0.000 0.538 576 V N 2.162 122.082 119.914 0.011 0.000 3.523 576 V HA 0.445 4.596 4.120 0.052 0.000 0.255 576 V C 0.620 176.739 176.094 0.041 0.000 1.226 576 V CA 0.028 62.359 62.300 0.053 0.000 1.092 576 V CB 0.189 32.059 31.823 0.077 0.000 0.817 576 V HN 0.537 nan 8.190 nan 0.000 0.458 577 V N 1.001 120.929 119.914 0.023 0.000 2.789 577 V HA 0.680 4.832 4.120 0.052 0.000 0.311 577 V C -0.707 175.395 176.094 0.014 0.000 1.073 577 V CA -0.754 61.559 62.300 0.023 0.000 0.921 577 V CB 2.292 34.131 31.823 0.027 0.000 1.009 577 V HN 0.548 nan 8.190 nan 0.000 0.426 578 R N 3.199 123.707 120.500 0.015 0.000 2.787 578 R HA 0.874 5.245 4.340 0.052 0.000 0.271 578 R C 0.264 176.572 176.300 0.013 0.000 0.993 578 R CA 0.274 56.380 56.100 0.011 0.000 0.993 578 R CB 1.819 32.123 30.300 0.008 0.000 1.155 578 R HN 1.481 nan 8.270 nan 0.000 0.486 579 G N -0.007 108.800 108.800 0.012 0.000 2.587 579 G HA2 -0.091 3.900 3.960 0.052 0.000 0.212 579 G HA3 -0.091 3.900 3.960 0.052 0.000 0.212 579 G C -0.108 174.803 174.900 0.018 0.000 1.327 579 G CA -0.152 44.957 45.100 0.014 0.000 0.898 579 G HN 0.691 nan 8.290 nan 0.000 0.551 580 A N -1.558 121.274 122.820 0.019 0.000 2.419 580 A HA 0.629 4.980 4.320 0.052 0.000 0.233 580 A C 1.148 178.746 177.584 0.023 0.000 1.217 580 A CA 1.626 53.676 52.037 0.023 0.000 0.944 580 A CB 0.259 19.272 19.000 0.020 0.000 1.025 580 A HN 1.470 nan 8.150 nan 0.000 0.524 581 T N 2.122 116.689 114.554 0.021 0.000 2.799 581 T HA 0.326 4.707 4.350 0.052 0.000 0.296 581 T C 0.278 174.992 174.700 0.024 0.000 0.947 581 T CA 0.085 62.198 62.100 0.021 0.000 1.141 581 T CB 0.096 68.975 68.868 0.019 0.000 0.891 581 T HN 0.292 nan 8.240 nan 0.000 0.533 582 L N 5.800 127.036 121.223 0.023 0.000 2.593 582 L HA 0.066 4.437 4.340 0.052 0.000 0.287 582 L C -1.498 175.386 176.870 0.025 0.000 1.243 582 L CA -1.383 53.476 54.840 0.031 0.000 0.890 582 L CB 0.110 42.179 42.059 0.016 0.000 1.134 582 L HN 0.426 nan 8.230 nan 0.000 0.502 583 P HA -0.014 nan 4.420 nan 0.000 0.270 583 P C -0.927 176.368 177.300 -0.008 0.000 1.227 583 P CA -0.073 63.035 63.100 0.014 0.000 0.788 583 P CB 0.426 32.141 31.700 0.025 0.000 0.926 584 D N 0.852 121.237 120.400 -0.025 0.000 2.441 584 D HA 0.251 4.923 4.640 0.052 0.000 0.287 584 D C -0.379 175.872 176.300 -0.081 0.000 1.198 584 D CA -0.344 53.627 54.000 -0.049 0.000 0.894 584 D CB -0.654 40.125 40.800 -0.034 0.000 1.070 584 D HN 0.150 nan 8.370 nan 0.000 0.499 585 I N 1.916 122.405 120.570 -0.135 0.000 2.668 585 I HA -0.048 4.154 4.170 0.052 0.000 0.285 585 I C 1.870 177.866 176.117 -0.202 0.000 1.168 585 I CA 0.105 61.275 61.300 -0.217 0.000 1.424 585 I CB 1.059 38.828 38.000 -0.386 0.000 1.377 585 I HN 0.310 nan 8.210 nan 0.000 0.560 586 S N 5.627 121.254 115.700 -0.121 0.000 2.377 586 S HA -0.032 4.469 4.470 0.052 0.000 0.223 586 S C 0.440 175.076 174.600 0.060 0.000 1.030 586 S CA 0.575 58.783 58.200 0.013 0.000 0.970 586 S CB -0.071 63.235 63.200 0.177 0.000 0.830 586 S HN 0.837 nan 8.310 nan 0.000 0.473 587 H N -1.732 117.194 119.070 -0.239 0.000 2.921 587 H HA 0.417 5.004 4.556 0.052 0.000 0.287 587 H C -1.981 173.156 175.328 -0.318 0.000 1.434 587 H CA -1.414 54.495 56.048 -0.232 0.000 1.178 587 H CB -0.351 29.407 29.762 -0.007 0.000 1.836 587 H HN 0.185 nan 8.280 nan 0.000 0.495 588 F N 1.602 121.549 119.950 -0.004 0.000 2.404 588 F HA 0.392 4.950 4.527 0.052 0.000 0.339 588 F C -0.016 175.866 175.800 0.136 0.000 1.105 588 F CA -0.866 57.068 58.000 -0.110 0.000 1.087 588 F CB 1.118 40.091 39.000 -0.045 0.000 1.143 588 F HN 0.442 nan 8.300 nan 0.000 0.491 589 Y N 0.778 121.198 120.300 0.200 0.000 2.446 589 Y HA 0.839 5.420 4.550 0.052 0.000 0.338 589 Y C -1.083 174.934 175.900 0.195 0.000 1.055 589 Y CA -1.837 56.408 58.100 0.241 0.000 1.101 589 Y CB 0.926 39.496 38.460 0.183 0.000 1.221 589 Y HN 0.397 nan 8.280 nan 0.000 0.460 590 I N 3.789 124.530 120.570 0.285 0.000 2.468 590 I HA 0.636 4.837 4.170 0.052 0.000 0.285 590 I C 0.517 176.701 176.117 0.113 0.000 1.039 590 I CA -0.269 61.164 61.300 0.222 0.000 1.074 590 I CB 1.382 39.567 38.000 0.307 0.000 1.228 590 I HN 1.155 nan 8.210 nan 0.000 0.436 591 G N 4.653 113.560 108.800 0.178 0.000 2.498 591 G HA2 -0.117 3.874 3.960 0.052 0.000 0.245 591 G HA3 -0.117 3.874 3.960 0.052 0.000 0.245 591 G C 0.229 175.185 174.900 0.093 0.000 1.204 591 G CA -0.161 44.971 45.100 0.053 0.000 0.933 591 G HN 1.066 nan 8.290 nan 0.000 0.574 592 G N 1.285 110.053 108.800 -0.053 0.000 4.943 592 G HA2 0.722 4.713 3.960 0.052 0.000 0.315 592 G HA3 0.722 4.713 3.960 0.052 0.000 0.315 592 G C -2.152 172.702 174.900 -0.076 0.000 1.437 592 G CA 0.019 45.103 45.100 -0.027 0.000 1.027 592 G HN 0.643 nan 8.290 nan 0.000 0.567 593 P HA 0.470 nan 4.420 nan 0.000 0.271 593 P C -0.557 176.713 177.300 -0.050 0.000 1.218 593 P CA -0.153 62.910 63.100 -0.060 0.000 0.780 593 P CB 1.464 33.161 31.700 -0.006 0.000 0.901 594 R N -0.647 119.822 120.500 -0.052 0.000 2.739 594 R HA 0.455 4.826 4.340 0.052 0.000 0.266 594 R C -0.052 176.221 176.300 -0.045 0.000 1.044 594 R CA -0.708 55.359 56.100 -0.054 0.000 0.885 594 R CB -0.511 29.757 30.300 -0.053 0.000 1.260 594 R HN 0.299 nan 8.270 nan 0.000 0.477 595 S N -0.742 114.930 115.700 -0.047 0.000 2.603 595 S HA 0.303 4.805 4.470 0.052 0.000 0.232 595 S C 0.111 174.693 174.600 -0.030 0.000 1.016 595 S CA 0.223 58.401 58.200 -0.036 0.000 0.976 595 S CB -0.232 62.944 63.200 -0.040 0.000 0.921 595 S HN 0.802 nan 8.310 nan 0.000 0.516 596 K N -1.170 119.210 120.400 -0.033 0.000 2.680 596 K HA 0.607 4.958 4.320 0.052 0.000 0.295 596 K C 0.255 176.836 176.600 -0.031 0.000 1.052 596 K CA -0.587 55.683 56.287 -0.028 0.000 0.863 596 K CB 0.219 32.703 32.500 -0.028 0.000 1.549 596 K HN 0.672 nan 8.250 nan 0.000 0.391 597 G N 0.145 108.929 108.800 -0.026 0.000 2.593 597 G HA2 0.087 4.078 3.960 0.052 0.000 0.237 597 G HA3 0.087 4.078 3.960 0.052 0.000 0.237 597 G C -0.017 174.867 174.900 -0.027 0.000 1.312 597 G CA -0.001 45.083 45.100 -0.028 0.000 0.896 597 G HN 1.351 nan 8.290 nan 0.000 0.574 598 A N 1.236 124.037 122.820 -0.031 0.000 2.561 598 A HA 0.512 4.863 4.320 0.052 0.000 0.234 598 A C -0.878 176.689 177.584 -0.028 0.000 1.055 598 A CA 0.565 52.584 52.037 -0.029 0.000 0.756 598 A CB 0.019 18.998 19.000 -0.035 0.000 0.986 598 A HN 0.848 nan 8.150 nan 0.000 0.505 599 P HA 0.094 nan 4.420 nan 0.000 0.220 599 P C -0.259 177.034 177.300 -0.013 0.000 1.778 599 P CA -0.111 62.981 63.100 -0.014 0.000 0.912 599 P CB -0.849 30.846 31.700 -0.008 0.000 1.861 600 T N 1.324 115.865 114.554 -0.023 0.000 2.905 600 T HA -0.018 4.364 4.350 0.052 0.000 0.299 600 T C 0.278 174.977 174.700 -0.001 0.000 1.024 600 T CA 0.888 62.975 62.100 -0.021 0.000 1.151 600 T CB 0.051 68.894 68.868 -0.041 0.000 0.987 600 T HN 0.202 nan 8.240 nan 0.000 0.535 601 D N 2.167 122.578 120.400 0.019 0.000 2.363 601 D HA 0.190 4.861 4.640 0.052 0.000 0.258 601 D C -0.792 175.559 176.300 0.086 0.000 1.259 601 D CA -0.453 53.577 54.000 0.049 0.000 0.921 601 D CB 0.616 41.446 40.800 0.049 0.000 1.201 601 D HN 0.310 nan 8.370 nan 0.000 0.524 602 S N 2.877 118.645 115.700 0.113 0.000 2.465 602 S HA 0.349 4.850 4.470 0.052 0.000 0.279 602 S C 0.340 175.081 174.600 0.236 0.000 1.201 602 S CA -0.697 57.628 58.200 0.208 0.000 1.053 602 S CB 1.008 64.356 63.200 0.245 0.000 0.953 602 S HN 0.193 nan 8.310 nan 0.000 0.488 603 R N 3.202 123.842 120.500 0.233 0.000 2.593 603 R HA 0.332 4.703 4.340 0.052 0.000 0.282 603 R C -0.210 176.163 176.300 0.123 0.000 1.300 603 R CA -0.180 56.024 56.100 0.173 0.000 1.221 603 R CB -0.493 29.889 30.300 0.137 0.000 1.157 603 R HN 0.553 nan 8.270 nan 0.000 0.555 604 V N -1.641 118.370 119.914 0.162 0.000 3.159 604 V HA 0.693 4.844 4.120 0.052 0.000 0.308 604 V C -0.308 175.850 176.094 0.106 0.000 1.190 604 V CA -0.771 61.586 62.300 0.095 0.000 1.037 604 V CB 2.667 34.548 31.823 0.098 0.000 1.060 604 V HN 0.341 nan 8.190 nan 0.000 0.437 605 T N 1.815 116.391 114.554 0.037 0.000 2.812 605 T HA 0.732 5.113 4.350 0.052 0.000 0.282 605 T C -0.766 173.954 174.700 0.033 0.000 0.990 605 T CA -0.365 61.701 62.100 -0.056 0.000 0.960 605 T CB 1.443 70.282 68.868 -0.049 0.000 0.948 605 T HN 0.823 nan 8.240 nan 0.000 0.438 606 V N 3.858 123.795 119.914 0.039 0.000 2.604 606 V HA 0.800 4.951 4.120 0.052 0.000 0.305 606 V C 0.165 176.416 176.094 0.261 0.000 1.043 606 V CA -0.847 61.582 62.300 0.215 0.000 0.888 606 V CB 2.011 34.081 31.823 0.411 0.000 0.995 606 V HN 1.089 nan 8.190 nan 0.000 0.429 607 T N 0.077 114.786 114.554 0.257 0.000 2.906 607 T HA 0.540 4.921 4.350 0.052 0.000 0.295 607 T C -0.251 174.614 174.700 0.275 0.000 1.075 607 T CA -0.837 61.434 62.100 0.285 0.000 1.005 607 T CB 1.235 70.215 68.868 0.187 0.000 1.136 607 T HN 0.723 nan 8.240 nan 0.000 0.498 608 N N -0.275 118.592 118.700 0.278 0.000 2.671 608 N HA -0.105 4.666 4.740 0.052 0.000 0.261 608 N C -0.649 175.046 175.510 0.310 0.000 1.053 608 N CA 0.037 53.296 53.050 0.348 0.000 0.732 608 N CB -1.027 37.708 38.487 0.412 0.000 0.887 608 N HN 0.577 nan 8.380 nan 0.000 0.546 609 V N 1.318 121.292 119.914 0.101 0.000 2.408 609 V HA 0.320 4.471 4.120 0.052 0.000 0.267 609 V C 0.709 176.908 176.094 0.175 0.000 1.047 609 V CA -0.445 61.862 62.300 0.012 0.000 0.937 609 V CB 1.334 32.973 31.823 -0.306 0.000 0.999 609 V HN 0.115 nan 8.190 nan 0.000 0.472 610 V N 6.296 126.318 119.914 0.181 0.000 2.513 610 V HA 0.561 4.712 4.120 0.052 0.000 0.299 610 V C -0.416 175.710 176.094 0.054 0.000 1.035 610 V CA -0.752 61.618 62.300 0.117 0.000 0.889 610 V CB 1.797 33.614 31.823 -0.010 0.000 0.988 610 V HN 0.656 nan 8.190 nan 0.000 0.440 611 L N 5.099 126.257 121.223 -0.108 0.000 2.356 611 L HA 0.698 5.069 4.340 0.052 0.000 0.277 611 L C -1.404 175.198 176.870 -0.447 0.000 0.996 611 L CA -0.133 54.542 54.840 -0.275 0.000 0.822 611 L CB 1.353 43.051 42.059 -0.601 0.000 1.256 611 L HN 0.562 nan 8.230 nan 0.000 0.413 612 Y N 2.612 122.805 120.300 -0.178 0.000 2.468 612 Y HA 0.388 4.969 4.550 0.052 0.000 0.342 612 Y C 0.719 176.483 175.900 -0.226 0.000 1.021 612 Y CA -0.806 57.161 58.100 -0.221 0.000 1.079 612 Y CB 1.367 39.727 38.460 -0.168 0.000 1.226 612 Y HN 0.702 nan 8.280 nan 0.000 0.460 613 N N 1.904 120.399 118.700 -0.341 0.000 2.389 613 N HA 0.123 4.894 4.740 0.052 0.000 0.237 613 N C -0.653 174.765 175.510 -0.152 0.000 1.148 613 N CA -0.390 52.309 53.050 -0.586 0.000 0.854 613 N CB -0.115 37.579 38.487 -1.321 0.000 1.115 613 N HN 0.787 nan 8.380 nan 0.000 0.492 614 R N -2.162 118.322 120.500 -0.028 0.000 2.733 614 R HA 0.393 4.764 4.340 0.052 0.000 0.272 614 R C -1.225 175.032 176.300 -0.072 0.000 1.029 614 R CA -1.045 55.029 56.100 -0.043 0.000 0.888 614 R CB 1.113 31.376 30.300 -0.062 0.000 1.251 614 R HN -0.005 nan 8.270 nan 0.000 0.464 615 R N 2.173 122.601 120.500 -0.119 0.000 2.216 615 R HA 0.280 4.651 4.340 0.052 0.000 0.332 615 R C -0.528 175.665 176.300 -0.178 0.000 1.056 615 R CA -0.414 55.592 56.100 -0.157 0.000 0.901 615 R CB 0.519 30.724 30.300 -0.159 0.000 1.039 615 R HN 0.578 nan 8.270 nan 0.000 0.456 616 L N 4.265 125.343 121.223 -0.241 0.000 2.426 616 L HA 0.037 4.408 4.340 0.052 0.000 0.271 616 L C 0.674 177.408 176.870 -0.228 0.000 1.169 616 L CA -0.330 54.334 54.840 -0.294 0.000 0.836 616 L CB 0.464 42.265 42.059 -0.430 0.000 1.112 616 L HN 0.790 nan 8.230 nan 0.000 0.465 617 N N 0.095 118.681 118.700 -0.190 0.000 2.347 617 N HA -0.006 4.765 4.740 0.052 0.000 0.253 617 N C 0.866 176.276 175.510 -0.166 0.000 1.274 617 N CA -0.000 52.962 53.050 -0.146 0.000 0.941 617 N CB 0.472 38.896 38.487 -0.106 0.000 1.200 617 N HN 0.580 nan 8.380 nan 0.000 0.514 618 S N -0.952 114.675 115.700 -0.121 0.000 2.382 618 S HA -0.240 4.262 4.470 0.052 0.000 0.228 618 S C 1.883 176.419 174.600 -0.106 0.000 1.027 618 S CA 1.380 59.510 58.200 -0.117 0.000 0.991 618 S CB -1.056 62.117 63.200 -0.045 0.000 0.823 618 S HN 0.692 nan 8.310 nan 0.000 0.469 619 S N 1.422 117.070 115.700 -0.086 0.000 2.368 619 S HA -0.124 4.377 4.470 0.052 0.000 0.224 619 S C 1.874 176.421 174.600 -0.089 0.000 1.029 619 S CA 1.306 59.464 58.200 -0.069 0.000 0.988 619 S CB -0.668 62.498 63.200 -0.057 0.000 0.838 619 S HN 0.736 nan 8.310 nan 0.000 0.462 620 E N 0.573 120.698 120.200 -0.125 0.000 2.077 620 E HA -0.095 4.286 4.350 0.052 0.000 0.193 620 E C 2.085 178.588 176.600 -0.163 0.000 0.989 620 E CA 1.512 57.818 56.400 -0.156 0.000 0.800 620 E CB -0.322 29.249 29.700 -0.215 0.000 0.746 620 E HN 0.576 nan 8.360 nan 0.000 0.452 621 I N 0.952 121.403 120.570 -0.198 0.000 2.163 621 I HA -0.318 3.883 4.170 0.052 0.000 0.243 621 I C 2.785 178.862 176.117 -0.066 0.000 1.085 621 I CA 1.293 62.476 61.300 -0.194 0.000 1.347 621 I CB -0.248 37.514 38.000 -0.396 0.000 1.044 621 I HN 0.047 nan 8.210 nan 0.000 0.408 622 R N 0.534 121.006 120.500 -0.047 0.000 2.096 622 R HA -0.154 4.217 4.340 0.052 0.000 0.235 622 R C 2.171 178.495 176.300 0.040 0.000 1.127 622 R CA 1.995 58.130 56.100 0.059 0.000 0.968 622 R CB -0.351 29.980 30.300 0.051 0.000 0.861 622 R HN 0.242 nan 8.270 nan 0.000 0.440 623 T N 1.611 116.149 114.554 -0.027 0.000 2.684 623 T HA -0.131 4.251 4.350 0.052 0.000 0.267 623 T C 1.800 176.456 174.700 -0.073 0.000 1.036 623 T CA 1.532 63.600 62.100 -0.053 0.000 1.148 623 T CB -0.149 68.681 68.868 -0.062 0.000 0.863 623 T HN 0.180 nan 8.240 nan 0.000 0.436 624 L N -0.014 121.175 121.223 -0.056 0.000 2.046 624 L HA -0.038 4.333 4.340 0.052 0.000 0.208 624 L C 2.315 179.021 176.870 -0.273 0.000 1.077 624 L CA 1.298 56.107 54.840 -0.052 0.000 0.747 624 L CB -0.559 41.556 42.059 0.094 0.000 0.896 624 L HN 0.221 nan 8.230 nan 0.000 0.432 625 F N 0.768 120.419 119.950 -0.498 0.000 2.126 625 F HA -0.228 4.330 4.527 0.052 0.000 0.299 625 F C 2.042 177.624 175.800 -0.364 0.000 1.096 625 F CA 1.572 59.137 58.000 -0.724 0.000 1.255 625 F CB -0.287 38.529 39.000 -0.307 0.000 0.997 625 F HN -0.096 nan 8.300 nan 0.000 0.479 626 L N -0.087 120.870 121.223 -0.444 0.000 2.313 626 L HA -0.049 4.323 4.340 0.052 0.000 0.214 626 L C 1.919 178.603 176.870 -0.311 0.000 1.119 626 L CA 1.121 55.677 54.840 -0.473 0.000 0.809 626 L CB -0.595 41.315 42.059 -0.248 0.000 0.933 626 L HN 0.339 nan 8.230 nan 0.000 0.449 627 S N -1.760 113.805 115.700 -0.225 0.000 2.602 627 S HA 0.004 4.505 4.470 0.052 0.000 0.240 627 S C 1.515 176.062 174.600 -0.089 0.000 0.992 627 S CA -0.532 57.587 58.200 -0.134 0.000 0.971 627 S CB 0.107 63.253 63.200 -0.090 0.000 0.855 627 S HN 0.495 nan 8.310 nan 0.000 0.481 628 Q N 1.269 120.995 119.800 -0.124 0.000 2.226 628 Q HA -0.133 4.238 4.340 0.052 0.000 0.204 628 Q C 0.266 176.292 176.000 0.043 0.000 0.975 628 Q CA 1.503 57.305 55.803 -0.001 0.000 0.866 628 Q CB -0.593 28.170 28.738 0.042 0.000 0.915 628 Q HN 0.371 nan 8.270 nan 0.000 0.440 629 D N 0.158 120.556 120.400 -0.003 0.000 2.336 629 D HA 0.095 4.766 4.640 0.052 0.000 0.229 629 D C 1.147 177.467 176.300 0.033 0.000 1.061 629 D CA 0.537 54.549 54.000 0.021 0.000 0.875 629 D CB 0.227 41.023 40.800 -0.008 0.000 0.904 629 D HN 0.462 nan 8.370 nan 0.000 0.525 630 M N -0.470 119.150 119.600 0.034 0.000 2.379 630 M HA 0.208 4.720 4.480 0.052 0.000 0.265 630 M C 1.809 178.165 176.300 0.093 0.000 1.095 630 M CA 0.235 55.559 55.300 0.041 0.000 1.075 630 M CB 0.667 33.262 32.600 -0.008 0.000 1.443 630 M HN -0.037 nan 8.290 nan 0.000 0.519 631 I N -1.894 118.757 120.570 0.134 0.000 3.860 631 I HA 0.360 4.561 4.170 0.052 0.000 0.319 631 I C 1.037 177.388 176.117 0.389 0.000 1.279 631 I CA -0.390 61.041 61.300 0.218 0.000 1.220 631 I CB -0.586 37.507 38.000 0.155 0.000 1.027 631 I HN 0.007 nan 8.210 nan 0.000 0.428 632 G N 1.549 110.527 108.800 0.297 0.000 2.554 632 G HA2 0.198 4.189 3.960 0.052 0.000 0.238 632 G HA3 0.198 4.189 3.960 0.052 0.000 0.238 632 G C 0.994 176.000 174.900 0.178 0.000 1.259 632 G CA 0.418 45.669 45.100 0.251 0.000 0.843 632 G HN 0.429 nan 8.290 nan 0.000 0.582 633 T N -2.196 112.405 114.554 0.078 0.000 3.100 633 T HA 0.417 4.798 4.350 0.052 0.000 0.253 633 T C 0.965 175.615 174.700 -0.084 0.000 1.118 633 T CA 1.609 63.713 62.100 0.006 0.000 1.058 633 T CB -1.141 67.708 68.868 -0.031 0.000 0.953 633 T HN 2.003 nan 8.240 nan 0.000 0.515 634 D N 0.000 120.322 120.400 -0.130 0.000 6.856 634 D HA 0.000 4.671 4.640 0.052 0.000 0.175 634 D CA 0.000 53.789 54.000 -0.351 0.000 0.868 634 D CB 0.000 40.673 40.800 -0.211 0.000 0.688 634 D HN 0.000 nan 8.370 nan 0.000 0.683