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 3k1q_1_U DATA FIRST_RESID 10 DATA SEQUENCE TYNITGDGNS FTPTSDMTST AAPAIDLKPG VLNPTGKLWR PVGTSVATID DATA SEQUENCE SLAIVSDRFG QYSFVNEGMR ETFSKALFDI NMWQPLFQAT KTGCGPIVLS DATA SEQUENCE SFTTTTSGYV GATAGDALDN PVTNGVFIST VQIMNLQRTI AARMRDVALW DATA SEQUENCE QKHLDTAMTM LTPDISAGSA SCNWKSLLAF AKDILPLDNL CLTYPNEFYN DATA SEQUENCE VAIHRYPALK PGNPDTKLPD AQAHPLGEVA GAFNAATSEV GSLVGSSSTL DATA SEQUENCE SQAISTMAGK DLDLIEADTP LPVSVFTPSL APRSYRPAFI KPEDAKWIAE DATA SEQUENCE FNNSSLIRKT LTYSGATYTV QLGPGPTRVI DMNAMIDSVL TLDVSGTILP DATA SEQUENCE YDTNPDLSTS VPAFVLIQTS VPIQQVTTAA NITAITVVSA AGASAINLAI DATA SEQUENCE NVRGQPRFNM LHLQATFERE TITGIPYIYG LGTFLIPSPT SSSNFSNPTL DATA SEQUENCE MDGLLTVTPV LLRETTYKGE VVDAIVPATV MANQTSEEVA SALANDAIVL DATA SEQUENCE VSNHLNKLAN VVGDAIPVAS RTDDSATSAI VSRLAVQHKL SQVGQASPTP DATA SEQUENCE PDYPLLWRRA KRAASMFVSN PSLALQVGIP VLTQSGMLSA LTSGVGTALR DATA SEQUENCE TGSLGKGVTD ASEKLRARQS LTVAKQAFFD QIGSLWPGK 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.608 174.700 -0.154 0.000 1.109 10 T CA 0.000 62.024 62.100 -0.127 0.000 1.349 10 T CB 0.000 68.731 68.868 -0.229 0.000 0.612 11 Y N 2.263 122.588 120.300 0.043 0.000 2.360 11 Y HA 0.673 5.223 4.550 0.000 0.000 0.337 11 Y C 0.266 176.169 175.900 0.006 0.000 1.039 11 Y CA -1.486 56.632 58.100 0.030 0.000 1.109 11 Y CB 0.452 38.939 38.460 0.045 0.000 1.201 11 Y HN 0.773 nan 8.280 nan 0.000 0.458 12 N N 3.849 122.557 118.700 0.014 0.000 2.256 12 N HA -0.138 4.602 4.740 0.000 0.000 0.277 12 N C 0.943 176.483 175.510 0.050 0.000 1.362 12 N CA 0.497 53.544 53.050 -0.004 0.000 0.861 12 N CB 0.348 38.838 38.487 0.006 0.000 1.136 12 N HN 0.882 nan 8.380 nan 0.000 0.492 13 I N 1.135 121.648 120.570 -0.094 0.000 2.493 13 I HA -0.073 4.097 4.170 0.000 0.000 0.254 13 I C 1.278 177.203 176.117 -0.321 0.000 1.160 13 I CA 0.963 62.111 61.300 -0.252 0.000 1.445 13 I CB -0.631 37.045 38.000 -0.540 0.000 1.086 13 I HN 0.551 nan 8.210 nan 0.000 0.433 14 T N -0.549 113.889 114.554 -0.193 0.000 3.624 14 T HA 0.598 4.948 4.350 0.000 0.000 0.231 14 T C 0.494 175.131 174.700 -0.104 0.000 0.865 14 T CA -0.159 61.844 62.100 -0.162 0.000 0.926 14 T CB -0.990 67.806 68.868 -0.120 0.000 1.189 14 T HN 0.488 nan 8.240 nan 0.000 0.640 15 G N 0.737 109.478 108.800 -0.098 0.000 2.788 15 G HA2 0.621 4.581 3.960 0.000 0.000 0.293 15 G HA3 0.621 4.581 3.960 0.000 0.000 0.293 15 G C -1.353 173.516 174.900 -0.053 0.000 1.305 15 G CA -0.958 44.110 45.100 -0.053 0.000 1.005 15 G HN 0.507 nan 8.290 nan 0.000 0.496 16 D N -1.762 118.623 120.400 -0.025 0.000 2.252 16 D HA 0.532 5.172 4.640 0.000 0.000 0.245 16 D C 0.689 176.994 176.300 0.009 0.000 1.009 16 D CA -0.051 53.942 54.000 -0.012 0.000 0.870 16 D CB 1.790 42.583 40.800 -0.012 0.000 1.251 16 D HN 1.337 nan 8.370 nan 0.000 0.460 17 G N 2.277 111.094 108.800 0.029 0.000 2.316 17 G HA2 -0.251 3.709 3.960 0.000 0.000 0.203 17 G HA3 -0.251 3.709 3.960 0.000 0.000 0.203 17 G C 0.033 174.986 174.900 0.089 0.000 0.999 17 G CA -0.071 45.056 45.100 0.045 0.000 0.649 17 G HN 0.846 nan 8.290 nan 0.000 0.489 18 N N 1.426 120.203 118.700 0.129 0.000 2.434 18 N HA 0.415 5.155 4.740 0.000 0.000 0.268 18 N C -0.009 175.764 175.510 0.439 0.000 1.256 18 N CA 0.796 54.013 53.050 0.278 0.000 0.914 18 N CB 1.316 39.957 38.487 0.257 0.000 1.088 18 N HN 0.295 nan 8.380 nan 0.000 0.478 19 S N 2.460 118.356 115.700 0.327 0.000 2.548 19 S HA 0.294 4.764 4.470 0.000 0.000 0.277 19 S C -0.858 173.734 174.600 -0.013 0.000 1.315 19 S CA -0.764 57.538 58.200 0.170 0.000 1.050 19 S CB -0.276 62.955 63.200 0.052 0.000 0.918 19 S HN 0.546 nan 8.310 nan 0.000 0.497 20 F N 5.247 125.006 119.950 -0.318 0.000 2.366 20 F HA 0.377 4.904 4.527 0.000 0.000 0.357 20 F C 0.270 175.817 175.800 -0.422 0.000 1.107 20 F CA -0.532 57.056 58.000 -0.686 0.000 1.208 20 F CB 0.555 39.099 39.000 -0.759 0.000 1.464 20 F HN 0.560 nan 8.300 nan 0.000 0.501 21 T N 2.925 117.180 114.554 -0.498 0.000 3.250 21 T HA 0.406 4.756 4.350 0.000 0.000 0.391 21 T C -3.005 171.414 174.700 -0.469 0.000 1.502 21 T CA -2.308 59.548 62.100 -0.407 0.000 1.320 21 T CB 0.564 69.310 68.868 -0.202 0.000 1.102 21 T HN 0.254 nan 8.240 nan 0.000 0.610 22 P HA 0.260 nan 4.420 nan 0.000 0.276 22 P C -0.106 177.050 177.300 -0.239 0.000 1.264 22 P CA 0.168 63.003 63.100 -0.442 0.000 0.769 22 P CB 0.587 31.963 31.700 -0.540 0.000 0.840 23 T N -1.304 113.144 114.554 -0.177 0.000 2.893 23 T HA 0.311 4.661 4.350 0.000 0.000 0.291 23 T C 1.372 176.025 174.700 -0.078 0.000 1.028 23 T CA -0.478 61.559 62.100 -0.106 0.000 0.995 23 T CB 1.180 69.992 68.868 -0.092 0.000 1.051 23 T HN 0.223 nan 8.240 nan 0.000 0.470 24 S N 0.475 116.145 115.700 -0.049 0.000 2.400 24 S HA -0.238 4.232 4.470 0.000 0.000 0.232 24 S C 1.500 176.085 174.600 -0.026 0.000 1.025 24 S CA 1.482 59.663 58.200 -0.031 0.000 0.993 24 S CB -0.764 62.426 63.200 -0.017 0.000 0.808 24 S HN 0.857 nan 8.310 nan 0.000 0.478 25 D N 1.099 121.478 120.400 -0.036 0.000 2.144 25 D HA -0.081 4.559 4.640 0.000 0.000 0.199 25 D C 0.861 177.135 176.300 -0.042 0.000 0.984 25 D CA 0.981 54.958 54.000 -0.038 0.000 0.834 25 D CB -0.025 40.750 40.800 -0.042 0.000 0.955 25 D HN 0.456 nan 8.370 nan 0.000 0.465 26 M N 0.920 120.485 119.600 -0.058 0.000 3.109 26 M HA 0.121 4.601 4.480 0.000 0.000 0.274 26 M C -0.628 175.645 176.300 -0.044 0.000 1.171 26 M CA -0.186 55.073 55.300 -0.068 0.000 0.856 26 M CB 1.486 34.013 32.600 -0.121 0.000 1.335 26 M HN -0.314 nan 8.290 nan 0.000 0.531 27 T N 1.015 115.559 114.554 -0.016 0.000 2.750 27 T HA 0.140 4.490 4.350 0.000 0.000 0.286 27 T C 0.661 175.387 174.700 0.043 0.000 0.911 27 T CA 0.066 62.168 62.100 0.003 0.000 1.130 27 T CB 0.046 68.922 68.868 0.013 0.000 0.873 27 T HN 0.466 nan 8.240 nan 0.000 0.536 28 S N 2.987 118.723 115.700 0.060 0.000 2.688 28 S HA 0.018 4.488 4.470 0.000 0.000 0.324 28 S C 0.691 175.364 174.600 0.122 0.000 1.240 28 S CA 0.314 58.618 58.200 0.174 0.000 1.011 28 S CB 0.080 63.349 63.200 0.114 0.000 0.676 28 S HN 0.934 nan 8.310 nan 0.000 0.454 29 T N -0.116 114.517 114.554 0.132 0.000 2.927 29 T HA 0.556 4.906 4.350 0.000 0.000 0.350 29 T C -1.064 173.664 174.700 0.047 0.000 1.746 29 T CA 0.138 62.292 62.100 0.091 0.000 1.081 29 T CB 0.771 69.679 68.868 0.067 0.000 1.551 29 T HN 1.160 nan 8.240 nan 0.000 0.489 30 A N 1.525 124.370 122.820 0.042 0.000 2.548 30 A HA 1.002 5.322 4.320 0.000 0.000 0.282 30 A C -0.804 176.796 177.584 0.027 0.000 1.288 30 A CA -0.203 51.840 52.037 0.009 0.000 0.748 30 A CB 0.851 19.867 19.000 0.027 0.000 1.339 30 A HN 1.620 nan 8.150 nan 0.000 0.475 31 A N 0.626 123.464 122.820 0.030 0.000 2.511 31 A HA 0.629 4.949 4.320 0.000 0.000 0.340 31 A C -1.870 175.750 177.584 0.060 0.000 1.396 31 A CA -1.245 50.818 52.037 0.043 0.000 0.887 31 A CB -0.405 18.617 19.000 0.037 0.000 1.145 31 A HN 0.437 nan 8.150 nan 0.000 0.497 32 P HA 0.107 nan 4.420 nan 0.000 0.213 32 P C 0.520 177.852 177.300 0.054 0.000 1.170 32 P CA 1.742 64.884 63.100 0.069 0.000 0.893 32 P CB 0.327 32.066 31.700 0.065 0.000 0.784 33 A N -1.268 121.577 122.820 0.041 0.000 2.594 33 A HA 0.634 4.954 4.320 0.000 0.000 0.295 33 A C -1.159 176.444 177.584 0.033 0.000 1.071 33 A CA -0.593 51.463 52.037 0.032 0.000 0.685 33 A CB 0.780 19.796 19.000 0.028 0.000 1.285 33 A HN 0.061 nan 8.150 nan 0.000 0.405 34 I N -1.666 118.926 120.570 0.037 0.000 2.797 34 I HA 0.695 4.865 4.170 0.000 0.000 0.307 34 I C -0.302 175.842 176.117 0.046 0.000 1.033 34 I CA -0.854 60.475 61.300 0.047 0.000 1.071 34 I CB 1.232 39.274 38.000 0.071 0.000 1.255 34 I HN 0.487 nan 8.210 nan 0.000 0.445 35 D N 2.649 123.068 120.400 0.032 0.000 2.412 35 D HA 0.176 4.816 4.640 0.000 0.000 0.257 35 D C -0.344 175.979 176.300 0.038 0.000 1.217 35 D CA 0.580 54.593 54.000 0.022 0.000 0.897 35 D CB 0.513 41.312 40.800 -0.002 0.000 1.132 35 D HN 0.666 nan 8.370 nan 0.000 0.493 36 L N 3.953 125.200 121.223 0.040 0.000 3.186 36 L HA 0.266 4.606 4.340 0.000 0.000 0.292 36 L C 0.057 176.942 176.870 0.025 0.000 1.303 36 L CA -0.457 54.413 54.840 0.051 0.000 0.940 36 L CB -0.082 42.025 42.059 0.078 0.000 1.358 36 L HN 0.228 nan 8.230 nan 0.000 0.581 37 K N 0.475 120.880 120.400 0.008 0.000 2.350 37 K HA 0.203 4.523 4.320 0.000 0.000 0.279 37 K C -1.619 174.980 176.600 -0.000 0.000 1.027 37 K CA -1.293 54.995 56.287 0.002 0.000 0.969 37 K CB 1.265 33.762 32.500 -0.005 0.000 0.954 37 K HN -0.006 nan 8.250 nan 0.000 0.474 38 P HA -0.191 nan 4.420 nan 0.000 0.214 38 P C 0.992 178.290 177.300 -0.004 0.000 1.163 38 P CA 1.626 64.726 63.100 0.001 0.000 0.889 38 P CB 0.035 31.737 31.700 0.003 0.000 0.790 39 G N -0.509 108.289 108.800 -0.004 0.000 2.547 39 G HA2 -0.302 3.658 3.960 0.000 0.000 0.221 39 G HA3 -0.302 3.658 3.960 0.000 0.000 0.221 39 G C 1.619 176.512 174.900 -0.012 0.000 1.140 39 G CA 1.103 46.200 45.100 -0.005 0.000 0.760 39 G HN 0.225 nan 8.290 nan 0.000 0.583 40 V N 0.553 120.456 119.914 -0.019 0.000 2.871 40 V HA 0.037 4.157 4.120 0.000 0.000 0.256 40 V C 2.798 178.860 176.094 -0.053 0.000 1.082 40 V CA 0.938 63.217 62.300 -0.035 0.000 1.105 40 V CB -0.054 31.747 31.823 -0.037 0.000 0.713 40 V HN 0.359 nan 8.190 nan 0.000 0.473 41 L N 0.340 121.538 121.223 -0.042 0.000 2.187 41 L HA -0.195 4.145 4.340 0.000 0.000 0.213 41 L C 2.315 179.153 176.870 -0.054 0.000 1.100 41 L CA 1.681 56.488 54.840 -0.055 0.000 0.765 41 L CB -0.797 41.248 42.059 -0.024 0.000 0.904 41 L HN 0.473 nan 8.230 nan 0.000 0.437 42 N N 0.529 119.212 118.700 -0.028 0.000 2.022 42 N HA -0.109 4.631 4.740 0.000 0.000 0.195 42 N C -1.430 174.078 175.510 -0.003 0.000 1.063 42 N CA 0.570 53.614 53.050 -0.009 0.000 0.851 42 N CB -0.906 37.587 38.487 0.012 0.000 1.050 42 N HN 0.044 nan 8.380 nan 0.000 0.425 43 P HA -0.142 nan 4.420 nan 0.000 0.191 43 P C -0.488 176.859 177.300 0.077 0.000 0.906 43 P CA 0.957 64.082 63.100 0.043 0.000 1.011 43 P CB -0.132 31.588 31.700 0.033 0.000 1.090 44 T N 0.849 115.473 114.554 0.117 0.000 3.553 44 T HA 0.210 4.560 4.350 0.000 0.000 0.144 44 T C 0.352 175.139 174.700 0.146 0.000 0.676 44 T CA 0.481 62.650 62.100 0.114 0.000 0.824 44 T CB -0.689 68.245 68.868 0.111 0.000 0.880 44 T HN 0.228 nan 8.240 nan 0.000 0.260 45 G N 3.187 112.105 108.800 0.196 0.000 2.299 45 G HA2 0.438 4.398 3.960 0.000 0.000 0.256 45 G HA3 0.438 4.398 3.960 0.000 0.000 0.256 45 G C -0.292 174.760 174.900 0.253 0.000 1.259 45 G CA 0.135 45.379 45.100 0.240 0.000 0.943 45 G HN 0.561 nan 8.290 nan 0.000 0.479 46 K N 2.310 122.858 120.400 0.246 0.000 2.237 46 K HA 0.316 4.636 4.320 0.000 0.000 0.270 46 K C -0.144 176.536 176.600 0.133 0.000 1.015 46 K CA -0.590 55.755 56.287 0.096 0.000 0.949 46 K CB 0.963 33.402 32.500 -0.102 0.000 0.976 46 K HN 0.332 nan 8.250 nan 0.000 0.472 47 L N 5.073 126.320 121.223 0.039 0.000 2.290 47 L HA 0.409 4.749 4.340 0.000 0.000 0.284 47 L C -1.115 175.773 176.870 0.030 0.000 1.078 47 L CA -0.018 54.912 54.840 0.150 0.000 0.815 47 L CB 0.227 42.395 42.059 0.183 0.000 1.162 47 L HN 0.687 nan 8.230 nan 0.000 0.435 48 W N 4.341 125.712 121.300 0.118 0.000 3.307 48 W HA 0.731 5.391 4.660 0.000 0.000 0.325 48 W C -0.609 176.023 176.519 0.188 0.000 1.255 48 W CA -0.825 56.582 57.345 0.104 0.000 1.006 48 W CB 0.753 30.267 29.460 0.090 0.000 1.608 48 W HN 0.129 nan 8.180 nan 0.000 0.620 49 R N 0.582 121.321 120.500 0.400 0.000 2.604 49 R HA 0.257 4.597 4.340 0.000 0.000 0.270 49 R C -2.774 173.561 176.300 0.058 0.000 1.052 49 R CA -2.530 53.735 56.100 0.276 0.000 0.902 49 R CB 0.948 31.351 30.300 0.171 0.000 1.233 49 R HN 0.064 nan 8.270 nan 0.000 0.455 50 P HA 0.020 nan 4.420 nan 0.000 0.244 50 P C 0.449 177.732 177.300 -0.028 0.000 1.723 50 P CA 0.378 63.415 63.100 -0.106 0.000 1.110 50 P CB 0.092 31.744 31.700 -0.079 0.000 1.972 51 V N 1.701 121.599 119.914 -0.028 0.000 0.588 51 V HA -0.372 3.748 4.120 0.000 0.000 0.092 51 V C 1.734 177.838 176.094 0.017 0.000 1.830 51 V CA 2.545 64.843 62.300 -0.003 0.000 3.401 51 V CB -2.312 29.504 31.823 -0.012 0.000 0.689 51 V HN 0.585 nan 8.190 nan 0.000 0.712 52 G N -1.949 106.863 108.800 0.020 0.000 3.897 52 G HA2 0.224 4.184 3.960 0.000 0.000 0.207 52 G HA3 0.224 4.184 3.960 0.000 0.000 0.207 52 G C 0.182 175.099 174.900 0.029 0.000 0.872 52 G CA 0.929 46.045 45.100 0.028 0.000 0.872 52 G HN 1.460 nan 8.290 nan 0.000 0.442 53 T N 0.992 115.559 114.554 0.021 0.000 2.689 53 T HA 0.542 4.892 4.350 0.000 0.000 0.308 53 T C 1.402 176.121 174.700 0.031 0.000 1.021 53 T CA 0.712 62.825 62.100 0.022 0.000 0.973 53 T CB 0.832 69.707 68.868 0.012 0.000 1.113 53 T HN 0.966 nan 8.240 nan 0.000 0.522 54 S N -0.492 115.225 115.700 0.029 0.000 2.650 54 S HA 0.187 4.657 4.470 0.000 0.000 0.251 54 S C 0.375 174.999 174.600 0.041 0.000 1.325 54 S CA -0.949 57.272 58.200 0.036 0.000 0.967 54 S CB -0.329 62.887 63.200 0.026 0.000 1.000 54 S HN 0.662 nan 8.310 nan 0.000 0.584 55 V N 1.465 121.406 119.914 0.045 0.000 2.287 55 V HA 0.532 4.652 4.120 0.000 0.000 0.246 55 V C 0.841 176.955 176.094 0.033 0.000 1.165 55 V CA 0.672 63.005 62.300 0.055 0.000 1.088 55 V CB -0.916 30.944 31.823 0.062 0.000 1.242 55 V HN 1.037 nan 8.190 nan 0.000 0.497 56 A N 3.266 126.099 122.820 0.023 0.000 1.519 56 A HA 0.085 4.405 4.320 0.000 0.000 0.210 56 A C 1.619 179.195 177.584 -0.014 0.000 1.889 56 A CA 0.605 52.645 52.037 0.005 0.000 1.478 56 A CB 0.011 19.012 19.000 0.002 0.000 1.432 56 A HN 0.591 nan 8.150 nan 0.000 0.340 57 T N 0.636 115.177 114.554 -0.022 0.000 3.541 57 T HA 0.126 4.476 4.350 0.000 0.000 0.255 57 T C 1.414 176.051 174.700 -0.103 0.000 1.158 57 T CA 0.830 62.899 62.100 -0.051 0.000 1.000 57 T CB -1.086 67.757 68.868 -0.042 0.000 1.008 57 T HN 0.375 nan 8.240 nan 0.000 0.568 58 I N 2.892 123.396 120.570 -0.111 0.000 2.229 58 I HA -0.330 3.840 4.170 0.000 0.000 0.250 58 I C 2.697 178.684 176.117 -0.215 0.000 1.096 58 I CA 1.957 63.145 61.300 -0.186 0.000 1.358 58 I CB -0.697 37.256 38.000 -0.078 0.000 1.047 58 I HN 0.465 nan 8.210 nan 0.000 0.422 59 D N 0.305 120.623 120.400 -0.137 0.000 2.239 59 D HA -0.153 4.487 4.640 0.000 0.000 0.202 59 D C 0.660 176.874 176.300 -0.144 0.000 0.993 59 D CA 1.037 54.962 54.000 -0.125 0.000 0.874 59 D CB -0.122 40.629 40.800 -0.081 0.000 0.922 59 D HN 0.354 nan 8.370 nan 0.000 0.464 60 S N -0.263 115.342 115.700 -0.158 0.000 2.561 60 S HA 0.570 5.040 4.470 0.000 0.000 0.303 60 S C -0.371 174.122 174.600 -0.179 0.000 1.110 60 S CA -0.848 57.270 58.200 -0.136 0.000 1.034 60 S CB 1.891 65.046 63.200 -0.075 0.000 1.010 60 S HN 0.166 nan 8.310 nan 0.000 0.482 61 L N 2.192 123.315 121.223 -0.167 0.000 2.386 61 L HA 0.871 5.211 4.340 0.000 0.000 0.271 61 L C -0.180 176.830 176.870 0.233 0.000 0.993 61 L CA -1.027 53.776 54.840 -0.061 0.000 0.819 61 L CB 1.789 43.689 42.059 -0.265 0.000 1.294 61 L HN 0.663 nan 8.230 nan 0.000 0.414 62 A N 3.044 126.016 122.820 0.253 0.000 2.304 62 A HA 0.758 5.078 4.320 0.000 0.000 0.323 62 A C -0.215 177.484 177.584 0.191 0.000 1.195 62 A CA -0.635 51.534 52.037 0.221 0.000 0.826 62 A CB 0.579 19.621 19.000 0.070 0.000 1.184 62 A HN 0.714 nan 8.150 nan 0.000 0.496 63 I N 1.960 122.481 120.570 -0.082 0.000 2.710 63 I HA 0.339 4.509 4.170 0.000 0.000 0.286 63 I C 0.865 176.826 176.117 -0.259 0.000 1.181 63 I CA -0.601 60.477 61.300 -0.371 0.000 1.430 63 I CB -0.259 37.310 38.000 -0.719 0.000 1.367 63 I HN 0.594 nan 8.210 nan 0.000 0.577 64 V N 2.445 122.209 119.914 -0.249 0.000 3.803 64 V HA 0.014 4.134 4.120 0.000 0.000 0.300 64 V C 0.932 176.764 176.094 -0.436 0.000 1.111 64 V CA -0.027 62.113 62.300 -0.267 0.000 1.189 64 V CB 0.628 32.338 31.823 -0.188 0.000 1.118 64 V HN 1.001 nan 8.190 nan 0.000 0.486 65 S N 1.256 116.664 115.700 -0.487 0.000 3.517 65 S HA 0.105 4.575 4.470 0.000 0.000 0.284 65 S C 0.967 175.053 174.600 -0.856 0.000 1.260 65 S CA 0.019 57.841 58.200 -0.630 0.000 0.975 65 S CB -1.181 61.662 63.200 -0.594 0.000 1.540 65 S HN 1.030 nan 8.310 nan 0.000 0.506 66 D N 4.405 124.286 120.400 -0.866 0.000 2.218 66 D HA -0.199 4.441 4.640 0.000 0.000 0.204 66 D C 1.702 177.603 176.300 -0.664 0.000 0.976 66 D CA 0.698 54.030 54.000 -1.113 0.000 0.853 66 D CB -0.276 40.048 40.800 -0.793 0.000 0.939 66 D HN 0.521 nan 8.370 nan 0.000 0.481 67 R N -0.244 119.888 120.500 -0.613 0.000 2.224 67 R HA -0.231 4.109 4.340 0.000 0.000 0.255 67 R C 1.049 177.110 176.300 -0.399 0.000 1.130 67 R CA 2.589 58.355 56.100 -0.556 0.000 0.957 67 R CB -0.445 29.400 30.300 -0.758 0.000 0.907 67 R HN 0.513 nan 8.270 nan 0.000 0.446 68 F N -5.001 114.912 119.950 -0.062 0.000 3.083 68 F HA 0.549 5.076 4.527 0.000 0.000 0.355 68 F C 0.152 176.004 175.800 0.085 0.000 1.194 68 F CA -0.153 57.864 58.000 0.029 0.000 1.027 68 F CB 0.176 39.187 39.000 0.018 0.000 1.386 68 F HN 0.074 nan 8.300 nan 0.000 0.513 69 G N -0.018 108.731 108.800 -0.087 0.000 2.619 69 G HA2 0.328 4.288 3.960 0.000 0.000 0.146 69 G HA3 0.328 4.288 3.960 0.000 0.000 0.146 69 G C -1.386 173.019 174.900 -0.825 0.000 1.192 69 G CA -0.718 44.346 45.100 -0.060 0.000 1.063 69 G HN -0.029 nan 8.290 nan 0.000 0.538 70 Q N 0.734 119.521 119.800 -1.688 0.000 3.970 70 Q HA -0.027 4.313 4.340 0.000 0.000 0.367 70 Q C -0.809 174.631 176.000 -0.932 0.000 1.189 70 Q CA 0.980 55.723 55.803 -1.765 0.000 1.212 70 Q CB -0.982 27.264 28.738 -0.821 0.000 1.037 70 Q HN 0.452 nan 8.270 nan 0.000 0.474 71 Y N -0.791 119.105 120.300 -0.672 0.000 2.780 71 Y HA 0.416 4.966 4.550 0.000 0.000 0.340 71 Y C 1.278 177.181 175.900 0.005 0.000 1.216 71 Y CA -1.170 56.835 58.100 -0.158 0.000 1.245 71 Y CB 0.607 39.080 38.460 0.022 0.000 1.492 71 Y HN 0.247 nan 8.280 nan 0.000 0.660 72 S N 0.628 116.467 115.700 0.232 0.000 2.560 72 S HA -0.058 4.412 4.470 0.000 0.000 0.276 72 S C -0.614 174.043 174.600 0.094 0.000 1.350 72 S CA -0.441 57.845 58.200 0.143 0.000 1.024 72 S CB -0.217 63.047 63.200 0.107 0.000 0.864 72 S HN 0.359 nan 8.310 nan 0.000 0.536 73 F N 3.059 123.093 119.950 0.139 0.000 2.569 73 F HA 0.041 4.568 4.527 0.000 0.000 0.395 73 F C 0.309 176.152 175.800 0.071 0.000 1.028 73 F CA -0.027 58.036 58.000 0.106 0.000 1.158 73 F CB -0.188 38.864 39.000 0.087 0.000 1.023 73 F HN 0.216 nan 8.300 nan 0.000 0.547 74 V N 5.828 125.048 119.914 -1.156 0.000 2.763 74 V HA -0.131 3.989 4.120 0.000 0.000 0.306 74 V C 0.702 176.593 176.094 -0.338 0.000 1.059 74 V CA -0.555 61.395 62.300 -0.583 0.000 1.138 74 V CB 0.343 31.882 31.823 -0.474 0.000 0.940 74 V HN 0.674 nan 8.190 nan 0.000 0.489 75 N N 3.371 121.960 118.700 -0.186 0.000 2.399 75 N HA -0.052 4.688 4.740 0.000 0.000 0.284 75 N C 1.252 176.695 175.510 -0.112 0.000 1.283 75 N CA 0.502 53.484 53.050 -0.113 0.000 0.972 75 N CB 0.021 38.421 38.487 -0.145 0.000 1.328 75 N HN 0.836 nan 8.380 nan 0.000 0.486 76 E N 2.553 122.746 120.200 -0.012 0.000 2.172 76 E HA -0.291 4.059 4.350 0.000 0.000 0.213 76 E C 1.373 177.932 176.600 -0.068 0.000 1.051 76 E CA 1.979 58.378 56.400 -0.002 0.000 0.860 76 E CB -0.125 29.611 29.700 0.060 0.000 0.755 76 E HN 0.782 nan 8.360 nan 0.000 0.462 77 G N 0.492 109.236 108.800 -0.093 0.000 2.394 77 G HA2 -0.246 3.714 3.960 0.000 0.000 0.215 77 G HA3 -0.246 3.714 3.960 0.000 0.000 0.215 77 G C 1.492 176.249 174.900 -0.237 0.000 1.165 77 G CA 0.717 45.739 45.100 -0.130 0.000 0.784 77 G HN 0.269 nan 8.290 nan 0.000 0.535 78 M N 1.149 120.555 119.600 -0.324 0.000 2.132 78 M HA -0.065 4.415 4.480 0.000 0.000 0.263 78 M C 2.860 178.808 176.300 -0.586 0.000 1.065 78 M CA 1.689 56.617 55.300 -0.620 0.000 1.122 78 M CB -0.138 32.107 32.600 -0.593 0.000 1.365 78 M HN 0.354 nan 8.290 nan 0.000 0.411 79 R N 0.033 120.346 120.500 -0.312 0.000 2.096 79 R HA -0.188 4.152 4.340 0.000 0.000 0.240 79 R C 1.735 177.945 176.300 -0.150 0.000 1.139 79 R CA 2.034 58.020 56.100 -0.188 0.000 0.952 79 R CB -1.181 29.044 30.300 -0.125 0.000 0.854 79 R HN 0.496 nan 8.270 nan 0.000 0.436 80 E N 0.716 120.829 120.200 -0.145 0.000 2.051 80 E HA -0.176 4.174 4.350 0.000 0.000 0.192 80 E C 2.291 178.807 176.600 -0.140 0.000 0.991 80 E CA 2.070 58.400 56.400 -0.117 0.000 0.799 80 E CB -0.235 29.416 29.700 -0.082 0.000 0.748 80 E HN 0.665 nan 8.360 nan 0.000 0.449 81 T N 0.203 114.661 114.554 -0.161 0.000 2.607 81 T HA -0.204 4.146 4.350 0.000 0.000 0.267 81 T C 1.824 176.549 174.700 0.041 0.000 1.049 81 T CA 1.281 63.317 62.100 -0.107 0.000 1.162 81 T CB -0.656 68.120 68.868 -0.153 0.000 0.863 81 T HN -0.027 nan 8.240 nan 0.000 0.424 82 F N 1.979 121.820 119.950 -0.182 0.000 2.120 82 F HA -0.020 4.507 4.527 0.000 0.000 0.300 82 F C 3.217 178.843 175.800 -0.290 0.000 1.095 82 F CA 0.493 58.365 58.000 -0.213 0.000 1.249 82 F CB -1.676 37.206 39.000 -0.196 0.000 0.995 82 F HN 0.321 nan 8.300 nan 0.000 0.480 83 S N -0.141 115.460 115.700 -0.164 0.000 2.370 83 S HA -0.171 4.299 4.470 0.000 0.000 0.226 83 S C 2.216 176.237 174.600 -0.964 0.000 1.033 83 S CA 1.154 59.090 58.200 -0.440 0.000 1.011 83 S CB -0.117 62.873 63.200 -0.351 0.000 0.852 83 S HN 0.158 nan 8.310 nan 0.000 0.457 84 K N 1.675 121.637 120.400 -0.729 0.000 2.063 84 K HA 0.041 4.361 4.320 0.000 0.000 0.208 84 K C 2.374 178.777 176.600 -0.328 0.000 1.048 84 K CA 1.301 57.201 56.287 -0.645 0.000 0.928 84 K CB -1.298 31.069 32.500 -0.221 0.000 0.713 84 K HN 0.457 nan 8.250 nan 0.000 0.442 85 A N 1.717 124.418 122.820 -0.198 0.000 1.892 85 A HA -0.181 4.139 4.320 0.000 0.000 0.218 85 A C 2.247 179.770 177.584 -0.102 0.000 1.188 85 A CA 1.581 53.554 52.037 -0.106 0.000 0.631 85 A CB -0.725 18.213 19.000 -0.104 0.000 0.822 85 A HN 0.234 nan 8.150 nan 0.000 0.447 86 L N -0.725 120.397 121.223 -0.168 0.000 2.127 86 L HA -0.121 4.219 4.340 0.000 0.000 0.211 86 L C 2.191 179.123 176.870 0.103 0.000 1.089 86 L CA 1.696 56.491 54.840 -0.074 0.000 0.757 86 L CB -0.701 41.300 42.059 -0.096 0.000 0.899 86 L HN 0.499 nan 8.230 nan 0.000 0.434 87 F N -0.541 119.386 119.950 -0.037 0.000 2.186 87 F HA -0.225 4.302 4.527 0.000 0.000 0.299 87 F C 2.067 177.842 175.800 -0.042 0.000 1.090 87 F CA 0.461 58.435 58.000 -0.042 0.000 1.307 87 F CB -0.500 38.474 39.000 -0.043 0.000 1.019 87 F HN 0.165 nan 8.300 nan 0.000 0.489 88 D N 1.176 121.667 120.400 0.152 0.000 2.154 88 D HA -0.244 4.396 4.640 0.000 0.000 0.190 88 D C 2.146 178.586 176.300 0.233 0.000 1.003 88 D CA 1.655 55.721 54.000 0.109 0.000 0.849 88 D CB -0.254 40.625 40.800 0.132 0.000 0.942 88 D HN 0.096 nan 8.370 nan 0.000 0.446 89 I N 0.704 121.393 120.570 0.198 0.000 2.286 89 I HA -0.201 3.969 4.170 0.000 0.000 0.248 89 I C 1.639 177.807 176.117 0.086 0.000 1.115 89 I CA 1.227 62.595 61.300 0.113 0.000 1.392 89 I CB -1.327 36.558 38.000 -0.192 0.000 1.065 89 I HN 0.155 nan 8.210 nan 0.000 0.418 90 N N 1.102 119.840 118.700 0.064 0.000 2.205 90 N HA -0.187 4.553 4.740 0.000 0.000 0.186 90 N C 1.828 177.371 175.510 0.055 0.000 1.015 90 N CA 1.098 54.173 53.050 0.042 0.000 0.862 90 N CB -0.244 38.265 38.487 0.037 0.000 0.986 90 N HN 0.387 nan 8.380 nan 0.000 0.429 91 M N -0.710 118.916 119.600 0.043 0.000 2.267 91 M HA -0.132 4.348 4.480 0.000 0.000 0.263 91 M C 0.803 177.152 176.300 0.083 0.000 1.063 91 M CA 1.277 56.532 55.300 -0.075 0.000 1.090 91 M CB -0.084 32.323 32.600 -0.322 0.000 1.392 91 M HN 0.284 nan 8.290 nan 0.000 0.422 92 W N 0.487 121.886 121.300 0.166 0.000 3.102 92 W HA 0.220 4.880 4.660 0.000 0.000 0.401 92 W C 1.561 178.268 176.519 0.314 0.000 1.070 92 W CA -0.334 57.193 57.345 0.304 0.000 1.921 92 W CB -0.419 29.373 29.460 0.553 0.000 1.118 92 W HN 0.416 nan 8.180 nan 0.000 0.647 93 Q N 1.561 121.565 119.800 0.339 0.000 2.096 93 Q HA -0.215 4.125 4.340 0.000 0.000 0.208 93 Q C -0.141 175.988 176.000 0.215 0.000 0.993 93 Q CA 2.399 58.333 55.803 0.219 0.000 0.862 93 Q CB -0.852 27.942 28.738 0.093 0.000 0.915 93 Q HN 0.022 nan 8.270 nan 0.000 0.416 94 P HA -0.178 nan 4.420 nan 0.000 0.218 94 P C 1.243 178.578 177.300 0.058 0.000 1.148 94 P CA 0.996 64.157 63.100 0.102 0.000 0.822 94 P CB 0.012 31.757 31.700 0.076 0.000 0.784 95 L N -1.387 119.891 121.223 0.093 0.000 2.068 95 L HA 0.069 4.409 4.340 0.000 0.000 0.204 95 L C 2.527 179.319 176.870 -0.129 0.000 1.076 95 L CA 1.430 56.193 54.840 -0.128 0.000 0.753 95 L CB -1.537 40.357 42.059 -0.276 0.000 0.910 95 L HN -0.262 nan 8.230 nan 0.000 0.439 96 F N 0.327 120.316 119.950 0.065 0.000 2.063 96 F HA -0.348 4.179 4.527 0.000 0.000 0.298 96 F C 2.742 178.567 175.800 0.040 0.000 1.109 96 F CA 2.252 60.346 58.000 0.157 0.000 1.212 96 F CB -0.561 38.558 39.000 0.198 0.000 0.973 96 F HN 0.205 nan 8.300 nan 0.000 0.480 97 Q N -0.649 119.285 119.800 0.223 0.000 2.096 97 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 97 Q C 2.403 178.418 176.000 0.024 0.000 0.982 97 Q CA 1.661 57.529 55.803 0.108 0.000 0.850 97 Q CB -0.421 28.367 28.738 0.083 0.000 0.901 97 Q HN 0.470 nan 8.270 nan 0.000 0.422 98 A N 0.271 123.070 122.820 -0.034 0.000 1.969 98 A HA -0.142 4.178 4.320 0.000 0.000 0.218 98 A C 2.119 179.617 177.584 -0.143 0.000 1.169 98 A CA 1.688 53.665 52.037 -0.101 0.000 0.635 98 A CB -0.739 18.161 19.000 -0.167 0.000 0.810 98 A HN 0.539 nan 8.150 nan 0.000 0.445 99 T N -3.235 111.210 114.554 -0.183 0.000 3.163 99 T HA 0.090 4.440 4.350 0.000 0.000 0.260 99 T C 0.702 175.363 174.700 -0.064 0.000 1.156 99 T CA 0.800 62.796 62.100 -0.173 0.000 1.072 99 T CB -0.381 68.355 68.868 -0.220 0.000 0.937 99 T HN 0.419 nan 8.240 nan 0.000 0.528 100 K N 1.335 121.724 120.400 -0.018 0.000 2.975 100 K HA -0.143 4.177 4.320 0.000 0.000 0.257 100 K C 0.443 177.069 176.600 0.043 0.000 1.005 100 K CA 1.205 57.503 56.287 0.018 0.000 0.738 100 K CB -2.432 30.069 32.500 0.002 0.000 1.236 100 K HN 0.772 nan 8.250 nan 0.000 0.483 101 T N -2.764 111.836 114.554 0.078 0.000 3.285 101 T HA 0.441 4.791 4.350 0.000 0.000 0.232 101 T C 1.109 175.918 174.700 0.182 0.000 0.973 101 T CA -0.191 61.968 62.100 0.099 0.000 1.023 101 T CB 0.589 69.474 68.868 0.027 0.000 1.158 101 T HN 0.625 nan 8.240 nan 0.000 0.590 102 G N 0.319 109.196 108.800 0.129 0.000 2.283 102 G HA2 -0.369 3.591 3.960 0.000 0.000 0.280 102 G HA3 -0.369 3.591 3.960 0.000 0.000 0.280 102 G C 1.337 176.317 174.900 0.132 0.000 1.029 102 G CA 0.090 45.258 45.100 0.114 0.000 0.840 102 G HN 0.818 nan 8.290 nan 0.000 0.505 103 C N 0.234 119.644 119.300 0.183 0.000 2.396 103 C HA 0.119 4.579 4.460 0.000 0.000 0.279 103 C C 2.598 177.606 174.990 0.030 0.000 1.229 103 C CA 1.367 60.478 59.018 0.155 0.000 1.801 103 C CB -1.261 26.598 27.740 0.198 0.000 2.050 103 C HN 1.759 nan 8.230 nan 0.000 0.491 104 G N 3.384 112.210 108.800 0.044 0.000 2.193 104 G HA2 0.159 4.119 3.960 0.000 0.000 0.275 104 G HA3 0.159 4.119 3.960 0.000 0.000 0.275 104 G C -1.647 173.261 174.900 0.013 0.000 0.882 104 G CA -0.178 44.939 45.100 0.028 0.000 1.135 104 G HN 0.720 nan 8.290 nan 0.000 0.349 105 P HA -0.070 nan 4.420 nan 0.000 0.253 105 P C 1.419 178.739 177.300 0.033 0.000 1.170 105 P CA -0.078 63.025 63.100 0.005 0.000 0.806 105 P CB 0.491 32.199 31.700 0.014 0.000 0.775 106 I N 3.967 124.555 120.570 0.031 0.000 2.161 106 I HA -0.359 3.811 4.170 0.000 0.000 0.246 106 I C 1.194 177.381 176.117 0.117 0.000 1.048 106 I CA 1.972 63.316 61.300 0.074 0.000 1.314 106 I CB -0.750 37.273 38.000 0.037 0.000 1.014 106 I HN 0.429 nan 8.210 nan 0.000 0.418 107 V N -1.349 118.614 119.914 0.082 0.000 5.981 107 V HA -0.248 3.872 4.120 0.000 0.000 0.233 107 V C 0.883 177.048 176.094 0.117 0.000 0.653 107 V CA 0.552 62.908 62.300 0.092 0.000 0.677 107 V CB -2.120 29.753 31.823 0.083 0.000 0.632 107 V HN 0.355 nan 8.190 nan 0.000 0.464 108 L N 3.651 124.890 121.223 0.026 0.000 2.103 108 L HA -0.201 4.139 4.340 0.000 0.000 0.215 108 L C 2.803 179.690 176.870 0.027 0.000 1.080 108 L CA 3.102 57.901 54.840 -0.068 0.000 0.764 108 L CB -0.398 41.597 42.059 -0.107 0.000 0.890 108 L HN 1.243 nan 8.230 nan 0.000 0.435 109 S N -2.412 113.315 115.700 0.044 0.000 2.407 109 S HA -0.260 4.210 4.470 0.000 0.000 0.235 109 S C 1.976 176.616 174.600 0.067 0.000 1.036 109 S CA 1.595 59.821 58.200 0.043 0.000 1.013 109 S CB -0.925 62.300 63.200 0.043 0.000 0.820 109 S HN 0.534 nan 8.310 nan 0.000 0.476 110 S N 1.412 117.189 115.700 0.128 0.000 2.402 110 S HA 0.100 4.570 4.470 0.000 0.000 0.229 110 S C 1.342 176.007 174.600 0.108 0.000 1.021 110 S CA 1.133 59.395 58.200 0.104 0.000 0.974 110 S CB -0.524 62.733 63.200 0.094 0.000 0.800 110 S HN 0.585 nan 8.310 nan 0.000 0.484 111 F N 2.247 122.148 119.950 -0.081 0.000 2.206 111 F HA 0.015 4.542 4.527 0.000 0.000 0.298 111 F C 1.970 177.624 175.800 -0.243 0.000 1.090 111 F CA 0.616 58.544 58.000 -0.121 0.000 1.323 111 F CB -1.517 37.430 39.000 -0.089 0.000 1.028 111 F HN 0.079 nan 8.300 nan 0.000 0.492 112 T N 0.344 114.879 114.554 -0.033 0.000 3.738 112 T HA 0.169 4.519 4.350 0.000 0.000 0.231 112 T C 0.220 174.768 174.700 -0.253 0.000 0.967 112 T CA -0.360 61.623 62.100 -0.195 0.000 1.227 112 T CB -1.323 67.469 68.868 -0.126 0.000 1.136 112 T HN 0.140 nan 8.240 nan 0.000 0.807 113 T N 0.640 114.876 114.554 -0.529 0.000 2.928 113 T HA 0.526 4.876 4.350 0.000 0.000 0.284 113 T C 0.592 175.167 174.700 -0.210 0.000 1.008 113 T CA -0.996 60.853 62.100 -0.417 0.000 1.057 113 T CB 1.157 69.783 68.868 -0.404 0.000 1.018 113 T HN 0.647 nan 8.240 nan 0.000 0.493 114 T N -0.159 114.447 114.554 0.087 0.000 2.902 114 T HA 0.307 4.657 4.350 0.000 0.000 0.301 114 T C 0.091 175.025 174.700 0.391 0.000 1.012 114 T CA -0.491 61.727 62.100 0.197 0.000 1.151 114 T CB 0.270 69.228 68.868 0.150 0.000 0.946 114 T HN 0.723 nan 8.240 nan 0.000 0.542 115 T N 2.315 117.095 114.554 0.378 0.000 2.807 115 T HA 0.547 4.897 4.350 0.000 0.000 0.279 115 T C -0.848 173.984 174.700 0.221 0.000 0.993 115 T CA -0.615 61.680 62.100 0.326 0.000 0.970 115 T CB 1.168 70.262 68.868 0.377 0.000 0.950 115 T HN 0.772 nan 8.240 nan 0.000 0.441 116 S N 2.934 118.723 115.700 0.148 0.000 2.779 116 S HA 0.787 5.257 4.470 0.000 0.000 0.293 116 S C 0.072 174.717 174.600 0.075 0.000 1.150 116 S CA 0.357 58.617 58.200 0.100 0.000 1.057 116 S CB 0.393 63.640 63.200 0.077 0.000 1.021 116 S HN 1.278 nan 8.310 nan 0.000 0.485 117 G N 3.504 112.327 108.800 0.038 0.000 2.534 117 G HA2 0.159 4.119 3.960 0.000 0.000 0.142 117 G HA3 0.159 4.119 3.960 0.000 0.000 0.142 117 G C -1.959 172.861 174.900 -0.134 0.000 1.178 117 G CA -0.617 44.472 45.100 -0.017 0.000 1.037 117 G HN 0.514 nan 8.290 nan 0.000 0.474 118 Y N 0.341 120.731 120.300 0.150 0.000 2.304 118 Y HA 0.537 5.087 4.550 0.000 0.000 0.328 118 Y C 0.519 176.571 175.900 0.252 0.000 1.123 118 Y CA -0.388 57.799 58.100 0.145 0.000 1.218 118 Y CB 1.944 40.450 38.460 0.077 0.000 1.207 118 Y HN 0.258 nan 8.280 nan 0.000 0.495 119 V N 3.038 123.107 119.914 0.259 0.000 2.334 119 V HA 0.863 4.983 4.120 0.000 0.000 0.281 119 V C 0.199 176.428 176.094 0.225 0.000 1.016 119 V CA -0.505 61.958 62.300 0.272 0.000 0.832 119 V CB 0.726 32.660 31.823 0.185 0.000 0.999 119 V HN 0.938 nan 8.190 nan 0.000 0.439 120 G N 2.367 111.372 108.800 0.341 0.000 2.616 120 G HA2 0.572 4.532 3.960 0.000 0.000 0.294 120 G HA3 0.572 4.532 3.960 0.000 0.000 0.294 120 G C 0.345 175.476 174.900 0.385 0.000 1.489 120 G CA 0.126 45.366 45.100 0.233 0.000 0.836 120 G HN 0.767 nan 8.290 nan 0.000 0.527 121 A N 0.216 123.175 122.820 0.231 0.000 1.884 121 A HA 0.225 4.545 4.320 0.000 0.000 0.219 121 A C 1.785 179.539 177.584 0.282 0.000 1.197 121 A CA 2.712 54.887 52.037 0.229 0.000 0.637 121 A CB -0.968 18.113 19.000 0.134 0.000 0.827 121 A HN 2.006 nan 8.150 nan 0.000 0.450 122 T N -5.221 109.429 114.554 0.160 0.000 2.918 122 T HA 0.678 5.028 4.350 0.000 0.000 0.286 122 T C 1.020 175.591 174.700 -0.214 0.000 1.026 122 T CA -0.041 62.123 62.100 0.106 0.000 1.031 122 T CB 1.688 70.582 68.868 0.042 0.000 1.046 122 T HN 0.798 nan 8.240 nan 0.000 0.479 123 A N 2.512 125.098 122.820 -0.390 0.000 1.881 123 A HA 0.009 4.329 4.320 0.000 0.000 0.219 123 A C 2.440 179.732 177.584 -0.488 0.000 1.215 123 A CA 2.762 54.322 52.037 -0.795 0.000 0.648 123 A CB -1.983 16.786 19.000 -0.384 0.000 0.832 123 A HN 1.477 nan 8.150 nan 0.000 0.455 124 G N 0.875 109.526 108.800 -0.248 0.000 2.859 124 G HA2 -0.513 3.447 3.960 0.000 0.000 0.236 124 G HA3 -0.513 3.447 3.960 0.000 0.000 0.236 124 G C 1.050 175.851 174.900 -0.165 0.000 1.207 124 G CA 2.350 47.351 45.100 -0.165 0.000 0.769 124 G HN 0.815 nan 8.290 nan 0.000 0.674 125 D N 0.856 121.177 120.400 -0.132 0.000 2.144 125 D HA 0.165 4.805 4.640 0.000 0.000 0.199 125 D C 2.405 178.633 176.300 -0.119 0.000 0.984 125 D CA 1.908 55.851 54.000 -0.095 0.000 0.834 125 D CB -0.669 40.110 40.800 -0.034 0.000 0.955 125 D HN 0.497 nan 8.370 nan 0.000 0.465 126 A N 0.415 123.086 122.820 -0.249 0.000 2.015 126 A HA 0.002 4.322 4.320 0.000 0.000 0.219 126 A C 2.319 179.771 177.584 -0.219 0.000 1.163 126 A CA 0.924 52.782 52.037 -0.297 0.000 0.646 126 A CB -0.879 17.595 19.000 -0.878 0.000 0.806 126 A HN 0.328 nan 8.150 nan 0.000 0.448 127 L N -0.396 120.637 121.223 -0.317 0.000 2.081 127 L HA -0.264 4.076 4.340 0.000 0.000 0.212 127 L C 1.840 178.682 176.870 -0.047 0.000 1.080 127 L CA 1.828 56.511 54.840 -0.261 0.000 0.754 127 L CB -0.795 41.121 42.059 -0.239 0.000 0.893 127 L HN 0.290 nan 8.230 nan 0.000 0.433 128 D N -0.856 119.535 120.400 -0.015 0.000 2.224 128 D HA -0.081 4.559 4.640 0.000 0.000 0.205 128 D C 0.713 177.055 176.300 0.071 0.000 0.965 128 D CA 0.757 54.775 54.000 0.030 0.000 0.852 128 D CB -0.119 40.677 40.800 -0.007 0.000 0.947 128 D HN 0.216 nan 8.370 nan 0.000 0.494 129 N N 0.358 119.120 118.700 0.104 0.000 2.483 129 N HA 0.277 5.017 4.740 0.000 0.000 0.267 129 N C -2.873 172.651 175.510 0.025 0.000 0.998 129 N CA -1.815 51.269 53.050 0.056 0.000 0.918 129 N CB 1.849 40.357 38.487 0.036 0.000 1.215 129 N HN -0.219 nan 8.380 nan 0.000 0.500 130 P HA 0.292 nan 4.420 nan 0.000 0.307 130 P C -1.286 175.871 177.300 -0.239 0.000 1.412 130 P CA -0.659 62.168 63.100 -0.454 0.000 0.985 130 P CB 2.115 33.298 31.700 -0.862 0.000 1.098 131 V N 3.148 122.956 119.914 -0.177 0.000 2.305 131 V HA 0.227 4.347 4.120 0.000 0.000 0.275 131 V C 0.593 176.645 176.094 -0.070 0.000 1.020 131 V CA -0.368 61.864 62.300 -0.112 0.000 0.811 131 V CB 1.084 32.841 31.823 -0.111 0.000 1.031 131 V HN 0.646 nan 8.190 nan 0.000 0.439 132 T N 1.393 115.903 114.554 -0.074 0.000 2.851 132 T HA 0.259 4.609 4.350 0.000 0.000 0.298 132 T C 0.535 175.240 174.700 0.009 0.000 0.977 132 T CA -0.142 61.940 62.100 -0.031 0.000 1.126 132 T CB 0.066 68.909 68.868 -0.040 0.000 0.916 132 T HN 0.744 nan 8.240 nan 0.000 0.529 133 N N 1.553 120.284 118.700 0.052 0.000 2.669 133 N HA -0.144 4.596 4.740 0.000 0.000 0.266 133 N C 0.612 176.194 175.510 0.120 0.000 1.024 133 N CA 0.756 53.859 53.050 0.088 0.000 0.766 133 N CB -1.008 37.519 38.487 0.066 0.000 0.898 133 N HN 1.006 nan 8.380 nan 0.000 0.548 134 G N -0.354 108.568 108.800 0.202 0.000 2.882 134 G HA2 0.706 4.666 3.960 0.000 0.000 0.164 134 G HA3 0.706 4.666 3.960 0.000 0.000 0.164 134 G C -0.212 174.904 174.900 0.361 0.000 1.429 134 G CA 0.150 45.477 45.100 0.379 0.000 1.059 134 G HN 0.836 nan 8.290 nan 0.000 0.581 135 V N -2.232 117.929 119.914 0.411 0.000 2.932 135 V HA 0.777 4.897 4.120 0.000 0.000 0.307 135 V C -0.881 175.096 176.094 -0.196 0.000 1.147 135 V CA -1.151 61.165 62.300 0.027 0.000 0.951 135 V CB 1.130 32.894 31.823 -0.099 0.000 1.031 135 V HN 1.023 nan 8.190 nan 0.000 0.426 136 F N 3.119 123.013 119.950 -0.095 0.000 2.594 136 F HA 0.944 5.471 4.527 0.000 0.000 0.335 136 F C -0.863 174.927 175.800 -0.017 0.000 1.058 136 F CA -1.528 56.434 58.000 -0.063 0.000 0.981 136 F CB 1.846 40.881 39.000 0.058 0.000 1.289 136 F HN 0.693 nan 8.300 nan 0.000 0.490 137 I N 1.452 122.033 120.570 0.019 0.000 2.686 137 I HA 0.428 4.598 4.170 0.000 0.000 0.295 137 I C -0.950 175.309 176.117 0.237 0.000 1.114 137 I CA -0.566 60.733 61.300 -0.003 0.000 1.038 137 I CB 2.140 40.088 38.000 -0.087 0.000 1.238 137 I HN 0.881 nan 8.210 nan 0.000 0.420 138 S N 3.289 119.169 115.700 0.301 0.000 2.554 138 S HA 0.221 4.691 4.470 0.000 0.000 0.278 138 S C 1.346 175.827 174.600 -0.198 0.000 1.242 138 S CA 0.202 58.461 58.200 0.098 0.000 1.051 138 S CB 1.291 64.800 63.200 0.517 0.000 0.986 138 S HN 0.846 nan 8.310 nan 0.000 0.502 139 T N 3.106 117.338 114.554 -0.537 0.000 2.620 139 T HA -0.209 4.141 4.350 0.000 0.000 0.267 139 T C 1.794 176.477 174.700 -0.029 0.000 1.044 139 T CA 2.208 64.161 62.100 -0.245 0.000 1.161 139 T CB -1.335 67.470 68.868 -0.105 0.000 0.862 139 T HN 0.512 nan 8.240 nan 0.000 0.438 140 V N 2.300 122.253 119.914 0.065 0.000 2.231 140 V HA -0.305 3.815 4.120 0.000 0.000 0.248 140 V C 3.022 179.185 176.094 0.116 0.000 1.054 140 V CA 2.440 64.801 62.300 0.102 0.000 1.015 140 V CB -1.197 30.715 31.823 0.148 0.000 0.638 140 V HN 0.553 nan 8.190 nan 0.000 0.444 141 Q N -0.081 119.815 119.800 0.160 0.000 2.030 141 Q HA -0.207 4.133 4.340 0.000 0.000 0.204 141 Q C 2.296 178.477 176.000 0.303 0.000 0.986 141 Q CA 2.386 58.350 55.803 0.269 0.000 0.843 141 Q CB -0.485 28.443 28.738 0.318 0.000 0.904 141 Q HN 0.865 nan 8.270 nan 0.000 0.420 142 I N -1.912 118.730 120.570 0.119 0.000 2.264 142 I HA -0.289 3.881 4.170 0.000 0.000 0.248 142 I C 2.465 178.581 176.117 -0.002 0.000 1.111 142 I CA 1.008 62.311 61.300 0.005 0.000 1.382 142 I CB -0.562 37.410 38.000 -0.046 0.000 1.060 142 I HN 0.199 nan 8.210 nan 0.000 0.418 143 M N 2.388 122.002 119.600 0.022 0.000 2.110 143 M HA -0.295 4.185 4.480 0.000 0.000 0.257 143 M C 2.001 178.321 176.300 0.032 0.000 1.071 143 M CA 2.442 57.754 55.300 0.019 0.000 1.096 143 M CB -1.332 31.287 32.600 0.032 0.000 1.300 143 M HN 0.423 nan 8.290 nan 0.000 0.411 144 N N -0.161 118.593 118.700 0.090 0.000 2.188 144 N HA -0.140 4.600 4.740 0.000 0.000 0.184 144 N C 1.562 177.155 175.510 0.139 0.000 1.018 144 N CA 1.099 54.218 53.050 0.115 0.000 0.858 144 N CB -0.225 38.348 38.487 0.143 0.000 0.989 144 N HN 0.212 nan 8.380 nan 0.000 0.426 145 L N 1.567 122.888 121.223 0.163 0.000 1.971 145 L HA -0.267 4.073 4.340 0.000 0.000 0.215 145 L C 1.982 178.759 176.870 -0.155 0.000 1.072 145 L CA 1.813 56.599 54.840 -0.090 0.000 0.758 145 L CB -0.779 40.978 42.059 -0.503 0.000 0.889 145 L HN 0.222 nan 8.230 nan 0.000 0.433 146 Q N -0.733 118.970 119.800 -0.161 0.000 2.096 146 Q HA -0.313 4.027 4.340 0.000 0.000 0.208 146 Q C 2.340 178.275 176.000 -0.109 0.000 0.993 146 Q CA 2.199 57.901 55.803 -0.168 0.000 0.862 146 Q CB -0.553 28.093 28.738 -0.154 0.000 0.915 146 Q HN 0.524 nan 8.270 nan 0.000 0.416 147 R N 0.512 120.978 120.500 -0.056 0.000 2.133 147 R HA -0.219 4.121 4.340 0.000 0.000 0.245 147 R C 2.134 178.415 176.300 -0.030 0.000 1.137 147 R CA 2.357 58.439 56.100 -0.030 0.000 0.947 147 R CB -0.613 29.686 30.300 -0.001 0.000 0.865 147 R HN 0.396 nan 8.270 nan 0.000 0.437 148 T N 0.937 115.479 114.554 -0.020 0.000 2.652 148 T HA -0.162 4.188 4.350 0.000 0.000 0.267 148 T C 2.097 176.765 174.700 -0.053 0.000 1.039 148 T CA 1.769 63.859 62.100 -0.018 0.000 1.153 148 T CB -0.453 68.421 68.868 0.010 0.000 0.863 148 T HN 0.258 nan 8.240 nan 0.000 0.428 149 I N 1.860 122.370 120.570 -0.100 0.000 2.208 149 I HA -0.209 3.961 4.170 0.000 0.000 0.245 149 I C 3.107 179.163 176.117 -0.102 0.000 1.097 149 I CA 1.271 62.494 61.300 -0.127 0.000 1.363 149 I CB -0.611 37.267 38.000 -0.202 0.000 1.051 149 I HN 0.285 nan 8.210 nan 0.000 0.413 150 A N 0.665 123.428 122.820 -0.095 0.000 1.902 150 A HA -0.171 4.149 4.320 0.000 0.000 0.217 150 A C 2.531 180.078 177.584 -0.062 0.000 1.181 150 A CA 1.886 53.877 52.037 -0.078 0.000 0.623 150 A CB -0.760 18.198 19.000 -0.071 0.000 0.818 150 A HN 0.450 nan 8.150 nan 0.000 0.443 151 A N -0.361 122.431 122.820 -0.047 0.000 1.930 151 A HA -0.121 4.199 4.320 0.000 0.000 0.217 151 A C 2.230 179.800 177.584 -0.023 0.000 1.175 151 A CA 1.436 53.454 52.037 -0.032 0.000 0.627 151 A CB -0.427 18.567 19.000 -0.010 0.000 0.815 151 A HN 0.545 nan 8.150 nan 0.000 0.443 152 R N -1.085 119.416 120.500 0.002 0.000 2.083 152 R HA -0.114 4.226 4.340 0.000 0.000 0.237 152 R C 2.283 178.581 176.300 -0.005 0.000 1.137 152 R CA 1.733 57.879 56.100 0.077 0.000 0.951 152 R CB -0.374 29.911 30.300 -0.025 0.000 0.851 152 R HN 0.427 nan 8.270 nan 0.000 0.434 153 M N 0.558 120.115 119.600 -0.071 0.000 2.080 153 M HA -0.169 4.311 4.480 0.000 0.000 0.260 153 M C 2.069 178.266 176.300 -0.171 0.000 1.068 153 M CA 1.792 57.023 55.300 -0.115 0.000 1.109 153 M CB -0.819 31.738 32.600 -0.072 0.000 1.342 153 M HN 0.138 nan 8.290 nan 0.000 0.405 154 R N -0.192 120.229 120.500 -0.132 0.000 2.237 154 R HA -0.116 4.224 4.340 0.000 0.000 0.219 154 R C 1.550 177.720 176.300 -0.216 0.000 1.080 154 R CA 1.293 57.305 56.100 -0.146 0.000 0.995 154 R CB -0.536 29.711 30.300 -0.087 0.000 0.875 154 R HN 0.373 nan 8.270 nan 0.000 0.462 155 D N 0.438 120.664 120.400 -0.291 0.000 2.234 155 D HA -0.084 4.556 4.640 0.000 0.000 0.205 155 D C 1.536 177.203 176.300 -1.054 0.000 0.962 155 D CA 0.417 54.117 54.000 -0.500 0.000 0.855 155 D CB 0.313 40.837 40.800 -0.460 0.000 0.951 155 D HN 0.044 nan 8.370 nan 0.000 0.500 156 V N -0.290 118.980 119.914 -1.074 0.000 3.406 156 V HA 0.217 4.337 4.120 0.000 0.000 0.263 156 V C 2.035 177.703 176.094 -0.710 0.000 1.172 156 V CA 1.098 62.520 62.300 -1.464 0.000 1.140 156 V CB -0.244 30.756 31.823 -1.371 0.000 0.784 156 V HN 0.278 nan 8.190 nan 0.000 0.467 157 A N 0.009 122.595 122.820 -0.390 0.000 2.032 157 A HA -0.170 4.150 4.320 0.000 0.000 0.221 157 A C 2.051 179.644 177.584 0.015 0.000 1.165 157 A CA 2.053 54.011 52.037 -0.132 0.000 0.645 157 A CB -0.400 18.544 19.000 -0.093 0.000 0.807 157 A HN 0.579 nan 8.150 nan 0.000 0.453 158 L N -2.485 118.775 121.223 0.062 0.000 2.131 158 L HA -0.132 4.208 4.340 0.000 0.000 0.206 158 L C 2.561 179.772 176.870 0.569 0.000 1.087 158 L CA 0.639 55.670 54.840 0.319 0.000 0.767 158 L CB -0.490 41.782 42.059 0.354 0.000 0.917 158 L HN 0.559 nan 8.230 nan 0.000 0.441 159 W N 0.796 122.198 121.300 0.169 0.000 2.379 159 W HA -0.109 4.551 4.660 0.000 0.000 0.307 159 W C 2.678 179.454 176.519 0.428 0.000 1.200 159 W CA 0.227 57.741 57.345 0.282 0.000 1.297 159 W CB -1.241 28.147 29.460 -0.121 0.000 1.140 159 W HN 0.167 nan 8.180 nan 0.000 0.507 160 Q N 0.491 120.538 119.800 0.411 0.000 2.062 160 Q HA -0.247 4.093 4.340 0.000 0.000 0.209 160 Q C 2.301 178.523 176.000 0.369 0.000 0.996 160 Q CA 1.904 57.957 55.803 0.416 0.000 0.859 160 Q CB -0.585 28.311 28.738 0.264 0.000 0.920 160 Q HN 0.047 nan 8.270 nan 0.000 0.415 161 K N 0.469 121.036 120.400 0.277 0.000 2.020 161 K HA -0.223 4.097 4.320 0.000 0.000 0.212 161 K C 1.885 178.580 176.600 0.160 0.000 1.050 161 K CA 1.947 58.335 56.287 0.168 0.000 0.929 161 K CB -0.395 32.169 32.500 0.106 0.000 0.714 161 K HN 0.392 nan 8.250 nan 0.000 0.443 162 H N 0.112 119.307 119.070 0.207 0.000 2.319 162 H HA -0.157 4.399 4.556 0.000 0.000 0.299 162 H C 1.934 177.310 175.328 0.081 0.000 1.092 162 H CA 1.787 57.899 56.048 0.107 0.000 1.302 162 H CB -0.150 29.669 29.762 0.095 0.000 1.373 162 H HN 0.106 nan 8.280 nan 0.000 0.497 163 L N 0.923 122.410 121.223 0.440 0.000 2.013 163 L HA -0.239 4.101 4.340 0.000 0.000 0.212 163 L C 1.450 178.493 176.870 0.288 0.000 1.073 163 L CA 1.966 57.068 54.840 0.437 0.000 0.753 163 L CB -0.473 41.989 42.059 0.672 0.000 0.890 163 L HN 0.225 nan 8.230 nan 0.000 0.432 164 D N -0.776 119.778 120.400 0.257 0.000 2.133 164 D HA -0.220 4.420 4.640 0.000 0.000 0.195 164 D C 2.270 178.628 176.300 0.097 0.000 0.997 164 D CA 2.058 56.154 54.000 0.160 0.000 0.840 164 D CB -0.630 40.262 40.800 0.153 0.000 0.947 164 D HN 0.650 nan 8.370 nan 0.000 0.452 165 T N -0.957 113.647 114.554 0.083 0.000 2.708 165 T HA -0.089 4.261 4.350 0.000 0.000 0.266 165 T C 2.119 176.852 174.700 0.055 0.000 1.037 165 T CA 1.884 64.010 62.100 0.044 0.000 1.146 165 T CB -0.551 68.317 68.868 0.001 0.000 0.865 165 T HN 0.110 nan 8.240 nan 0.000 0.435 166 A N 2.748 125.610 122.820 0.069 0.000 1.873 166 A HA -0.077 4.243 4.320 0.000 0.000 0.218 166 A C 2.556 180.198 177.584 0.095 0.000 1.193 166 A CA 2.369 54.456 52.037 0.084 0.000 0.629 166 A CB -0.875 18.180 19.000 0.091 0.000 0.826 166 A HN 0.512 nan 8.150 nan 0.000 0.447 167 M N 0.243 119.885 119.600 0.070 0.000 2.358 167 M HA -0.087 4.393 4.480 0.000 0.000 0.264 167 M C 2.056 178.366 176.300 0.016 0.000 1.064 167 M CA 1.976 57.277 55.300 0.001 0.000 1.093 167 M CB -1.726 30.811 32.600 -0.105 0.000 1.401 167 M HN 0.770 nan 8.290 nan 0.000 0.440 168 T N -3.294 111.287 114.554 0.045 0.000 3.034 168 T HA 0.054 4.404 4.350 0.000 0.000 0.248 168 T C 1.715 176.462 174.700 0.078 0.000 1.040 168 T CA 0.002 62.135 62.100 0.054 0.000 1.107 168 T CB -0.178 68.714 68.868 0.040 0.000 0.932 168 T HN 0.142 nan 8.240 nan 0.000 0.474 169 M N 1.364 121.008 119.600 0.074 0.000 2.426 169 M HA 0.166 4.646 4.480 0.000 0.000 0.261 169 M C -0.070 176.292 176.300 0.104 0.000 1.068 169 M CA 1.205 56.551 55.300 0.077 0.000 1.066 169 M CB -0.951 31.682 32.600 0.056 0.000 1.399 169 M HN 0.367 nan 8.290 nan 0.000 0.449 170 L N 0.645 121.952 121.223 0.140 0.000 2.420 170 L HA 0.146 4.486 4.340 0.000 0.000 0.260 170 L C 0.078 177.095 176.870 0.246 0.000 1.508 170 L CA -0.489 54.481 54.840 0.216 0.000 0.835 170 L CB 0.783 42.912 42.059 0.116 0.000 1.018 170 L HN -0.163 nan 8.230 nan 0.000 0.520 171 T N 3.839 118.527 114.554 0.223 0.000 2.609 171 T HA 0.022 4.372 4.350 0.000 0.000 0.257 171 T C -1.327 173.454 174.700 0.135 0.000 1.032 171 T CA -0.292 61.897 62.100 0.148 0.000 1.244 171 T CB 0.292 69.215 68.868 0.092 0.000 1.003 171 T HN 0.272 nan 8.240 nan 0.000 0.507 172 P HA 0.184 nan 4.420 nan 0.000 0.269 172 P C -0.776 176.384 177.300 -0.234 0.000 1.601 172 P CA -0.079 62.886 63.100 -0.225 0.000 0.831 172 P CB -0.213 31.264 31.700 -0.371 0.000 1.688 173 D N 0.692 121.043 120.400 -0.082 0.000 2.464 173 D HA 0.273 4.913 4.640 0.000 0.000 0.243 173 D C -0.213 176.071 176.300 -0.026 0.000 1.104 173 D CA -0.158 53.800 54.000 -0.071 0.000 0.883 173 D CB 0.787 41.562 40.800 -0.042 0.000 1.050 173 D HN -0.013 nan 8.370 nan 0.000 0.524 174 I N 2.709 123.244 120.570 -0.058 0.000 2.428 174 I HA 0.058 4.228 4.170 0.000 0.000 0.279 174 I C 1.448 177.547 176.117 -0.029 0.000 1.040 174 I CA -0.260 61.028 61.300 -0.020 0.000 1.171 174 I CB 1.020 39.016 38.000 -0.008 0.000 1.312 174 I HN 0.302 nan 8.210 nan 0.000 0.470 175 S N 3.947 119.640 115.700 -0.012 0.000 2.469 175 S HA 0.082 4.552 4.470 0.000 0.000 0.238 175 S C 0.889 175.486 174.600 -0.004 0.000 0.998 175 S CA 0.395 58.591 58.200 -0.007 0.000 0.957 175 S CB 0.118 63.318 63.200 -0.001 0.000 0.764 175 S HN 0.671 nan 8.310 nan 0.000 0.514 176 A N -0.083 122.735 122.820 -0.004 0.000 2.530 176 A HA 0.704 5.024 4.320 0.000 0.000 0.279 176 A C 0.717 178.300 177.584 -0.001 0.000 1.109 176 A CA -0.207 51.828 52.037 -0.002 0.000 0.763 176 A CB 0.366 19.367 19.000 0.001 0.000 1.257 176 A HN 1.368 nan 8.150 nan 0.000 0.424 177 G N 1.519 110.315 108.800 -0.007 0.000 2.650 177 G HA2 0.225 4.185 3.960 0.000 0.000 0.264 177 G HA3 0.225 4.185 3.960 0.000 0.000 0.264 177 G C 0.222 175.111 174.900 -0.017 0.000 1.263 177 G CA 0.355 45.451 45.100 -0.007 0.000 0.960 177 G HN 2.653 nan 8.290 nan 0.000 0.548 178 S N -0.887 114.809 115.700 -0.007 0.000 2.548 178 S HA 0.878 5.348 4.470 0.000 0.000 0.278 178 S C -0.564 174.047 174.600 0.019 0.000 1.150 178 S CA 0.634 58.824 58.200 -0.017 0.000 0.907 178 S CB 1.404 64.593 63.200 -0.018 0.000 1.108 178 S HN 2.473 nan 8.310 nan 0.000 0.459 179 A N 1.353 124.178 122.820 0.009 0.000 2.380 179 A HA 0.970 5.290 4.320 0.000 0.000 0.315 179 A C -0.318 177.281 177.584 0.024 0.000 1.101 179 A CA -0.865 51.233 52.037 0.101 0.000 0.771 179 A CB 1.997 21.174 19.000 0.295 0.000 1.287 179 A HN 1.201 nan 8.150 nan 0.000 0.436 180 S N -0.739 115.042 115.700 0.135 0.000 2.546 180 S HA 0.658 5.128 4.470 0.000 0.000 0.272 180 S C -1.375 173.346 174.600 0.202 0.000 1.140 180 S CA -0.271 58.008 58.200 0.133 0.000 0.920 180 S CB 1.260 64.498 63.200 0.064 0.000 1.083 180 S HN 1.807 nan 8.310 nan 0.000 0.476 181 C N 3.962 123.379 119.300 0.194 0.000 3.285 181 C HA 0.579 5.039 4.460 0.000 0.000 0.325 181 C C -0.843 174.096 174.990 -0.084 0.000 1.304 181 C CA -0.845 58.172 59.018 -0.001 0.000 1.319 181 C CB 1.214 28.821 27.740 -0.222 0.000 1.640 181 C HN 0.976 nan 8.230 nan 0.000 0.477 182 N N 2.331 120.986 118.700 -0.075 0.000 2.394 182 N HA -0.040 4.700 4.740 0.000 0.000 0.277 182 N C 0.842 176.334 175.510 -0.030 0.000 1.346 182 N CA 0.387 53.416 53.050 -0.035 0.000 0.910 182 N CB 0.101 38.557 38.487 -0.050 0.000 1.201 182 N HN 0.890 nan 8.380 nan 0.000 0.488 183 W N 3.727 124.935 121.300 -0.153 0.000 2.363 183 W HA -0.217 4.443 4.660 0.000 0.000 0.296 183 W C 1.630 178.066 176.519 -0.138 0.000 1.212 183 W CA 0.260 57.524 57.345 -0.134 0.000 1.260 183 W CB 0.250 29.745 29.460 0.059 0.000 1.131 183 W HN 0.589 nan 8.180 nan 0.000 0.530 184 K N -0.026 120.399 120.400 0.043 0.000 2.020 184 K HA -0.221 4.099 4.320 0.000 0.000 0.212 184 K C 1.994 178.453 176.600 -0.234 0.000 1.050 184 K CA 2.062 58.269 56.287 -0.134 0.000 0.929 184 K CB -0.854 31.572 32.500 -0.124 0.000 0.714 184 K HN -0.016 nan 8.250 nan 0.000 0.443 185 S N 1.620 117.183 115.700 -0.228 0.000 2.368 185 S HA -0.184 4.286 4.470 0.000 0.000 0.226 185 S C 2.062 176.529 174.600 -0.222 0.000 1.044 185 S CA 1.484 59.505 58.200 -0.297 0.000 1.062 185 S CB -0.440 62.632 63.200 -0.213 0.000 0.931 185 S HN 0.160 nan 8.310 nan 0.000 0.440 186 L N 1.069 122.206 121.223 -0.144 0.000 1.976 186 L HA -0.136 4.204 4.340 0.000 0.000 0.209 186 L C 2.362 179.225 176.870 -0.013 0.000 1.071 186 L CA 1.255 56.043 54.840 -0.087 0.000 0.746 186 L CB -0.782 41.156 42.059 -0.203 0.000 0.890 186 L HN 0.261 nan 8.230 nan 0.000 0.432 187 L N -0.377 120.808 121.223 -0.064 0.000 2.051 187 L HA -0.281 4.059 4.340 0.000 0.000 0.214 187 L C 2.788 179.598 176.870 -0.101 0.000 1.076 187 L CA 1.472 56.204 54.840 -0.179 0.000 0.758 187 L CB -0.892 40.925 42.059 -0.402 0.000 0.890 187 L HN 0.319 nan 8.230 nan 0.000 0.433 188 A N -0.959 121.769 122.820 -0.154 0.000 1.929 188 A HA -0.147 4.173 4.320 0.000 0.000 0.216 188 A C 2.232 179.932 177.584 0.194 0.000 1.176 188 A CA 0.937 52.940 52.037 -0.056 0.000 0.628 188 A CB -0.718 18.149 19.000 -0.221 0.000 0.816 188 A HN 0.368 nan 8.150 nan 0.000 0.444 189 F N 0.331 120.175 119.950 -0.176 0.000 2.186 189 F HA -0.136 4.391 4.527 0.000 0.000 0.299 189 F C 2.742 178.612 175.800 0.117 0.000 1.090 189 F CA 0.468 58.544 58.000 0.127 0.000 1.307 189 F CB 0.020 39.031 39.000 0.018 0.000 1.019 189 F HN 0.337 nan 8.300 nan 0.000 0.489 190 A N 0.490 123.427 122.820 0.195 0.000 1.884 190 A HA -0.304 4.016 4.320 0.000 0.000 0.219 190 A C 2.009 179.666 177.584 0.122 0.000 1.197 190 A CA 2.225 54.325 52.037 0.106 0.000 0.637 190 A CB -0.733 18.303 19.000 0.061 0.000 0.827 190 A HN 0.381 nan 8.150 nan 0.000 0.450 191 K N -1.172 119.304 120.400 0.127 0.000 2.432 191 K HA -0.066 4.254 4.320 0.000 0.000 0.196 191 K C 1.244 177.924 176.600 0.133 0.000 1.038 191 K CA 1.018 57.365 56.287 0.101 0.000 0.986 191 K CB -0.044 32.495 32.500 0.066 0.000 0.782 191 K HN 0.560 nan 8.250 nan 0.000 0.485 192 D N 0.211 120.751 120.400 0.233 0.000 2.305 192 D HA -0.029 4.611 4.640 0.000 0.000 0.206 192 D C 1.388 177.802 176.300 0.190 0.000 0.974 192 D CA 0.650 54.776 54.000 0.209 0.000 0.871 192 D CB 0.424 41.393 40.800 0.280 0.000 0.947 192 D HN -0.044 nan 8.370 nan 0.000 0.516 193 I N 0.176 120.879 120.570 0.221 0.000 2.947 193 I HA 0.134 4.304 4.170 0.000 0.000 0.263 193 I C 0.946 177.116 176.117 0.088 0.000 1.130 193 I CA 0.093 61.487 61.300 0.158 0.000 1.448 193 I CB -0.996 37.088 38.000 0.140 0.000 1.222 193 I HN -0.016 nan 8.210 nan 0.000 0.453 194 L N 3.051 124.316 121.223 0.070 0.000 2.514 194 L HA 0.030 4.370 4.340 0.000 0.000 0.280 194 L C -1.946 174.942 176.870 0.029 0.000 1.223 194 L CA -1.106 53.759 54.840 0.042 0.000 0.864 194 L CB -0.357 41.721 42.059 0.031 0.000 1.118 194 L HN -0.073 nan 8.230 nan 0.000 0.494 195 P HA 0.056 nan 4.420 nan 0.000 0.271 195 P C 0.662 177.970 177.300 0.013 0.000 1.226 195 P CA -0.131 62.981 63.100 0.021 0.000 0.765 195 P CB 0.685 32.400 31.700 0.024 0.000 0.835 196 L N 2.329 123.555 121.223 0.005 0.000 2.051 196 L HA -0.249 4.091 4.340 0.000 0.000 0.214 196 L C 1.640 178.503 176.870 -0.012 0.000 1.076 196 L CA 1.744 56.578 54.840 -0.009 0.000 0.758 196 L CB -0.606 41.447 42.059 -0.010 0.000 0.890 196 L HN 0.462 nan 8.230 nan 0.000 0.433 197 D N -0.423 119.984 120.400 0.011 0.000 2.351 197 D HA -0.090 4.550 4.640 0.000 0.000 0.216 197 D C 0.453 176.795 176.300 0.070 0.000 0.968 197 D CA 0.460 54.478 54.000 0.031 0.000 0.899 197 D CB -0.517 40.309 40.800 0.043 0.000 0.907 197 D HN 0.422 nan 8.370 nan 0.000 0.514 198 N N 0.689 119.435 118.700 0.076 0.000 2.454 198 N HA 0.001 4.741 4.740 0.000 0.000 0.254 198 N C 1.374 176.813 175.510 -0.118 0.000 1.228 198 N CA -0.040 53.085 53.050 0.126 0.000 0.900 198 N CB 0.806 39.353 38.487 0.100 0.000 1.089 198 N HN 0.011 nan 8.380 nan 0.000 0.449 199 L N 0.483 121.441 121.223 -0.442 0.000 2.191 199 L HA -0.212 4.128 4.340 0.000 0.000 0.212 199 L C 1.740 178.409 176.870 -0.334 0.000 1.103 199 L CA 0.716 55.282 54.840 -0.458 0.000 0.769 199 L CB -0.348 41.404 42.059 -0.511 0.000 0.908 199 L HN 0.709 nan 8.230 nan 0.000 0.438 200 C N -0.256 118.720 119.300 -0.540 0.000 2.413 200 C HA -0.151 4.309 4.460 0.000 0.000 0.277 200 C C 2.567 177.423 174.990 -0.223 0.000 1.265 200 C CA 0.353 59.052 59.018 -0.531 0.000 1.752 200 C CB -0.790 26.663 27.740 -0.478 0.000 1.998 200 C HN 0.415 nan 8.230 nan 0.000 0.489 201 L N 1.270 122.374 121.223 -0.200 0.000 2.313 201 L HA -0.042 4.298 4.340 0.000 0.000 0.214 201 L C 2.724 179.454 176.870 -0.233 0.000 1.119 201 L CA 1.977 56.719 54.840 -0.163 0.000 0.809 201 L CB -1.075 40.917 42.059 -0.113 0.000 0.933 201 L HN 0.497 nan 8.230 nan 0.000 0.449 202 T N -3.784 110.515 114.554 -0.426 0.000 2.851 202 T HA -0.156 4.194 4.350 0.000 0.000 0.262 202 T C 1.092 175.332 174.700 -0.766 0.000 1.043 202 T CA 0.973 62.630 62.100 -0.738 0.000 1.140 202 T CB -0.508 67.611 68.868 -1.248 0.000 0.872 202 T HN 0.281 nan 8.240 nan 0.000 0.446 203 Y N 1.778 122.135 120.300 0.095 0.000 2.781 203 Y HA 0.348 4.898 4.550 0.000 0.000 0.326 203 Y C -1.718 174.339 175.900 0.261 0.000 1.019 203 Y CA -2.744 55.452 58.100 0.161 0.000 1.372 203 Y CB 0.406 38.939 38.460 0.122 0.000 1.260 203 Y HN 0.231 nan 8.280 nan 0.000 0.546 204 P HA -0.225 nan 4.420 nan 0.000 0.214 204 P C 1.044 178.449 177.300 0.175 0.000 1.163 204 P CA 1.708 64.883 63.100 0.125 0.000 0.889 204 P CB 0.356 32.051 31.700 -0.008 0.000 0.790 205 N N -1.101 117.649 118.700 0.085 0.000 2.036 205 N HA -0.194 4.546 4.740 0.000 0.000 0.195 205 N C 1.749 177.297 175.510 0.063 0.000 1.037 205 N CA 1.390 54.450 53.050 0.017 0.000 0.855 205 N CB -0.327 38.127 38.487 -0.054 0.000 1.033 205 N HN 0.077 nan 8.380 nan 0.000 0.423 206 E N -0.045 120.208 120.200 0.088 0.000 2.031 206 E HA -0.171 4.179 4.350 0.000 0.000 0.193 206 E C 2.011 178.711 176.600 0.165 0.000 0.994 206 E CA 1.008 57.438 56.400 0.050 0.000 0.800 206 E CB -0.535 29.104 29.700 -0.102 0.000 0.752 206 E HN 0.459 nan 8.360 nan 0.000 0.447 207 F N -0.022 120.050 119.950 0.203 0.000 2.126 207 F HA -0.258 4.269 4.527 0.000 0.000 0.299 207 F C 2.504 178.478 175.800 0.291 0.000 1.096 207 F CA 1.310 59.470 58.000 0.267 0.000 1.255 207 F CB -0.432 38.712 39.000 0.240 0.000 0.997 207 F HN 0.077 nan 8.300 nan 0.000 0.479 208 Y N 0.895 121.393 120.300 0.330 0.000 2.128 208 Y HA -0.340 4.210 4.550 0.000 0.000 0.284 208 Y C 2.374 178.405 175.900 0.219 0.000 1.154 208 Y CA 2.067 60.316 58.100 0.249 0.000 1.149 208 Y CB -0.710 37.849 38.460 0.165 0.000 0.976 208 Y HN 0.036 nan 8.280 nan 0.000 0.505 209 N N -0.348 118.531 118.700 0.298 0.000 2.036 209 N HA -0.233 4.507 4.740 0.000 0.000 0.195 209 N C 1.685 177.073 175.510 -0.203 0.000 1.037 209 N CA 2.389 55.455 53.050 0.027 0.000 0.855 209 N CB -0.521 37.924 38.487 -0.070 0.000 1.033 209 N HN 0.233 nan 8.380 nan 0.000 0.423 210 V N 0.786 120.712 119.914 0.020 0.000 2.233 210 V HA -0.269 3.851 4.120 0.000 0.000 0.247 210 V C 2.425 178.514 176.094 -0.009 0.000 1.050 210 V CA 2.050 64.368 62.300 0.030 0.000 1.010 210 V CB -1.457 30.385 31.823 0.032 0.000 0.637 210 V HN 0.507 nan 8.190 nan 0.000 0.444 211 A N 0.155 123.065 122.820 0.151 0.000 1.896 211 A HA -0.304 4.016 4.320 0.000 0.000 0.220 211 A C 2.123 179.749 177.584 0.069 0.000 1.206 211 A CA 2.699 54.885 52.037 0.249 0.000 0.647 211 A CB -0.811 18.441 19.000 0.420 0.000 0.828 211 A HN 0.482 nan 8.150 nan 0.000 0.455 212 I N -0.760 119.774 120.570 -0.059 0.000 2.264 212 I HA -0.237 3.933 4.170 0.000 0.000 0.248 212 I C 2.224 178.316 176.117 -0.041 0.000 1.111 212 I CA 1.501 62.744 61.300 -0.095 0.000 1.382 212 I CB -0.485 37.424 38.000 -0.151 0.000 1.060 212 I HN 0.398 nan 8.210 nan 0.000 0.418 213 H N -0.647 118.373 119.070 -0.084 0.000 2.495 213 H HA 0.028 4.584 4.556 0.000 0.000 0.287 213 H C 2.304 177.488 175.328 -0.240 0.000 1.033 213 H CA 0.968 56.943 56.048 -0.122 0.000 1.307 213 H CB -0.059 29.633 29.762 -0.117 0.000 1.401 213 H HN 0.317 nan 8.280 nan 0.000 0.555 214 R N -0.308 120.004 120.500 -0.315 0.000 2.146 214 R HA 0.025 4.365 4.340 0.000 0.000 0.206 214 R C -0.124 175.781 176.300 -0.659 0.000 1.049 214 R CA 0.242 55.966 56.100 -0.625 0.000 1.029 214 R CB 0.479 30.229 30.300 -0.917 0.000 0.949 214 R HN 0.130 nan 8.270 nan 0.000 0.471 215 Y N 0.391 120.658 120.300 -0.055 0.000 2.700 215 Y HA 0.323 4.873 4.550 0.000 0.000 0.333 215 Y C -1.907 173.874 175.900 -0.199 0.000 1.036 215 Y CA -2.737 55.293 58.100 -0.116 0.000 1.287 215 Y CB 1.358 39.755 38.460 -0.105 0.000 1.132 215 Y HN 0.081 nan 8.280 nan 0.000 0.510 216 P HA -0.239 nan 4.420 nan 0.000 0.219 216 P C 1.465 178.404 177.300 -0.602 0.000 1.146 216 P CA 1.651 64.354 63.100 -0.663 0.000 0.808 216 P CB 0.313 31.613 31.700 -0.666 0.000 0.779 217 A N -1.364 121.270 122.820 -0.311 0.000 2.194 217 A HA -0.089 4.231 4.320 0.000 0.000 0.220 217 A C 0.871 178.270 177.584 -0.308 0.000 1.162 217 A CA 1.132 53.002 52.037 -0.279 0.000 0.674 217 A CB -1.009 17.839 19.000 -0.253 0.000 0.789 217 A HN 0.185 nan 8.150 nan 0.000 0.470 218 L N -1.135 119.958 121.223 -0.217 0.000 2.386 218 L HA 0.565 4.905 4.340 0.000 0.000 0.271 218 L C -0.631 176.234 176.870 -0.009 0.000 0.993 218 L CA -0.953 53.800 54.840 -0.145 0.000 0.819 218 L CB 2.142 44.177 42.059 -0.040 0.000 1.294 218 L HN -0.113 nan 8.230 nan 0.000 0.414 219 K N 3.013 123.484 120.400 0.118 0.000 2.259 219 K HA 0.534 4.854 4.320 0.000 0.000 0.249 219 K C -2.529 174.154 176.600 0.139 0.000 0.942 219 K CA -1.895 54.464 56.287 0.119 0.000 0.816 219 K CB 1.744 34.311 32.500 0.112 0.000 1.155 219 K HN 0.182 nan 8.250 nan 0.000 0.428 220 P HA -0.038 nan 4.420 nan 0.000 0.266 220 P C 0.551 177.817 177.300 -0.057 0.000 1.195 220 P CA 0.214 63.161 63.100 -0.255 0.000 0.768 220 P CB 0.777 31.804 31.700 -1.122 0.000 0.838 221 G N 4.184 113.030 108.800 0.077 0.000 4.033 221 G HA2 -0.332 3.628 3.960 0.000 0.000 0.243 221 G HA3 -0.332 3.628 3.960 0.000 0.000 0.243 221 G C 0.802 175.700 174.900 -0.004 0.000 0.867 221 G CA 1.546 46.651 45.100 0.008 0.000 0.718 221 G HN 0.782 nan 8.290 nan 0.000 1.461 222 N N 1.201 119.905 118.700 0.007 0.000 2.299 222 N HA 0.156 4.896 4.740 0.000 0.000 0.246 222 N C -1.118 174.407 175.510 0.025 0.000 1.254 222 N CA -0.007 53.051 53.050 0.013 0.000 0.879 222 N CB 0.663 39.158 38.487 0.014 0.000 1.214 222 N HN 0.317 nan 8.380 nan 0.000 0.510 223 P HA -0.097 nan 4.420 nan 0.000 0.216 223 P C -0.542 176.790 177.300 0.053 0.000 1.157 223 P CA 1.480 64.623 63.100 0.072 0.000 0.880 223 P CB 0.168 31.905 31.700 0.063 0.000 0.791 224 D N -1.060 119.354 120.400 0.023 0.000 2.420 224 D HA 0.128 4.768 4.640 0.000 0.000 0.255 224 D C 0.629 176.935 176.300 0.010 0.000 1.185 224 D CA -0.207 53.804 54.000 0.018 0.000 0.904 224 D CB 1.188 41.997 40.800 0.016 0.000 1.102 224 D HN -0.107 nan 8.370 nan 0.000 0.534 225 T N 1.276 115.837 114.554 0.012 0.000 2.869 225 T HA -0.200 4.150 4.350 0.000 0.000 0.270 225 T C 1.810 176.515 174.700 0.009 0.000 1.082 225 T CA 1.242 63.348 62.100 0.010 0.000 1.123 225 T CB 0.216 69.090 68.868 0.010 0.000 0.856 225 T HN 0.370 nan 8.240 nan 0.000 0.499 226 K N 0.503 120.908 120.400 0.008 0.000 2.032 226 K HA -0.098 4.222 4.320 0.000 0.000 0.218 226 K C 0.537 177.140 176.600 0.005 0.000 1.054 226 K CA 1.114 57.405 56.287 0.007 0.000 0.941 226 K CB -0.170 32.334 32.500 0.006 0.000 0.720 226 K HN 0.307 nan 8.250 nan 0.000 0.449 227 L N 0.511 121.736 121.223 0.003 0.000 2.490 227 L HA 0.224 4.564 4.340 0.000 0.000 0.256 227 L C -2.107 174.760 176.870 -0.006 0.000 1.089 227 L CA -1.196 53.644 54.840 -0.000 0.000 0.916 227 L CB 1.961 44.018 42.059 -0.004 0.000 1.188 227 L HN 0.044 nan 8.230 nan 0.000 0.476 228 P HA 0.063 nan 4.420 nan 0.000 0.228 228 P C -0.214 177.083 177.300 -0.006 0.000 1.166 228 P CA 0.487 63.578 63.100 -0.015 0.000 0.812 228 P CB 0.752 32.455 31.700 0.004 0.000 0.857 229 D N 0.341 120.748 120.400 0.011 0.000 2.181 229 D HA 0.524 5.164 4.640 0.000 0.000 0.248 229 D C -0.243 176.059 176.300 0.003 0.000 1.020 229 D CA -0.153 53.864 54.000 0.028 0.000 0.891 229 D CB 2.474 43.294 40.800 0.034 0.000 1.187 229 D HN 0.027 nan 8.370 nan 0.000 0.443 230 A N 1.002 123.825 122.820 0.005 0.000 2.594 230 A HA 0.327 4.647 4.320 0.000 0.000 0.291 230 A C 0.060 177.558 177.584 -0.142 0.000 1.105 230 A CA -0.462 51.517 52.037 -0.096 0.000 0.694 230 A CB 2.182 21.061 19.000 -0.201 0.000 1.291 230 A HN 0.350 nan 8.150 nan 0.000 0.410 231 Q N -0.433 119.244 119.800 -0.204 0.000 2.392 231 Q HA 0.274 4.614 4.340 0.000 0.000 0.219 231 Q C 0.621 176.439 176.000 -0.303 0.000 0.895 231 Q CA 0.989 56.701 55.803 -0.152 0.000 0.929 231 Q CB 0.783 29.495 28.738 -0.044 0.000 1.077 231 Q HN 0.862 nan 8.270 nan 0.000 0.532 232 A N 1.484 124.057 122.820 -0.412 0.000 2.260 232 A HA 0.500 4.820 4.320 0.000 0.000 0.308 232 A C -0.374 176.851 177.584 -0.599 0.000 1.254 232 A CA -0.364 51.449 52.037 -0.373 0.000 0.874 232 A CB 0.295 19.182 19.000 -0.187 0.000 1.153 232 A HN 0.155 nan 8.150 nan 0.000 0.527 233 H N 1.705 120.761 119.070 -0.024 0.000 3.878 233 H HA 0.480 5.036 4.556 0.000 0.000 0.332 233 H C -1.958 173.350 175.328 -0.034 0.000 1.613 233 H CA -1.300 54.737 56.048 -0.018 0.000 1.413 233 H CB -0.409 29.339 29.762 -0.023 0.000 1.066 233 H HN 0.428 nan 8.280 nan 0.000 0.797 234 P HA 0.055 nan 4.420 nan 0.000 0.342 234 P C 1.117 178.416 177.300 -0.002 0.000 1.384 234 P CA -0.437 62.658 63.100 -0.009 0.000 0.837 234 P CB 0.648 32.313 31.700 -0.058 0.000 2.025 235 L N -0.245 120.965 121.223 -0.023 0.000 2.027 235 L HA 0.019 4.359 4.340 0.000 0.000 0.206 235 L C 2.150 179.027 176.870 0.012 0.000 1.074 235 L CA 2.448 57.287 54.840 -0.001 0.000 0.745 235 L CB -1.764 40.302 42.059 0.011 0.000 0.898 235 L HN 0.472 nan 8.230 nan 0.000 0.433 236 G N -0.595 108.207 108.800 0.002 0.000 3.376 236 G HA2 -0.535 3.425 3.960 0.000 0.000 0.310 236 G HA3 -0.535 3.425 3.960 0.000 0.000 0.310 236 G C 1.214 176.122 174.900 0.012 0.000 1.137 236 G CA 1.574 46.674 45.100 -0.000 0.000 1.061 236 G HN 0.482 nan 8.290 nan 0.000 1.152 237 E N -0.724 119.480 120.200 0.007 0.000 2.689 237 E HA -0.349 4.001 4.350 0.000 0.000 0.247 237 E C 2.294 178.878 176.600 -0.027 0.000 1.031 237 E CA 2.382 58.781 56.400 -0.002 0.000 1.400 237 E CB -1.270 28.438 29.700 0.014 0.000 1.296 237 E HN 0.523 nan 8.360 nan 0.000 0.475 238 V N 0.435 120.338 119.914 -0.019 0.000 2.215 238 V HA -0.366 3.754 4.120 0.000 0.000 0.249 238 V C 2.120 178.232 176.094 0.031 0.000 1.054 238 V CA 3.072 65.351 62.300 -0.035 0.000 1.012 238 V CB -0.902 30.940 31.823 0.032 0.000 0.639 238 V HN 0.510 nan 8.190 nan 0.000 0.448 239 A N -0.439 122.464 122.820 0.138 0.000 2.032 239 A HA -0.116 4.204 4.320 0.000 0.000 0.221 239 A C 2.293 179.987 177.584 0.183 0.000 1.165 239 A CA 2.170 54.341 52.037 0.223 0.000 0.645 239 A CB -1.381 17.705 19.000 0.144 0.000 0.807 239 A HN 0.818 nan 8.150 nan 0.000 0.453 240 G N -0.713 108.133 108.800 0.076 0.000 2.402 240 G HA2 0.060 4.020 3.960 0.000 0.000 0.216 240 G HA3 0.060 4.020 3.960 0.000 0.000 0.216 240 G C 1.738 176.653 174.900 0.024 0.000 1.162 240 G CA 1.184 46.310 45.100 0.043 0.000 0.777 240 G HN 0.810 nan 8.290 nan 0.000 0.539 241 A N 0.606 123.389 122.820 -0.061 0.000 1.948 241 A HA 0.017 4.337 4.320 0.000 0.000 0.220 241 A C 2.096 179.644 177.584 -0.061 0.000 1.177 241 A CA 1.525 53.475 52.037 -0.144 0.000 0.636 241 A CB -0.579 18.231 19.000 -0.317 0.000 0.815 241 A HN 0.310 nan 8.150 nan 0.000 0.449 242 F N 0.578 120.529 119.950 0.002 0.000 2.293 242 F HA -0.075 4.452 4.527 0.000 0.000 0.300 242 F C 2.110 177.911 175.800 0.003 0.000 1.086 242 F CA 1.076 59.078 58.000 0.003 0.000 1.375 242 F CB -0.411 38.592 39.000 0.004 0.000 1.045 242 F HN 0.288 nan 8.300 nan 0.000 0.516 243 N N 0.228 119.044 118.700 0.193 0.000 2.463 243 N HA 0.106 4.846 4.740 0.000 0.000 0.181 243 N C 0.601 176.150 175.510 0.065 0.000 1.078 243 N CA 0.432 53.543 53.050 0.102 0.000 0.902 243 N CB 0.100 38.634 38.487 0.078 0.000 0.970 243 N HN 0.096 nan 8.380 nan 0.000 0.451 244 A N 1.166 124.020 122.820 0.056 0.000 2.320 244 A HA 0.574 4.894 4.320 0.000 0.000 0.287 244 A C 0.366 177.967 177.584 0.027 0.000 1.181 244 A CA -0.541 51.511 52.037 0.026 0.000 0.831 244 A CB 0.346 19.347 19.000 0.002 0.000 1.102 244 A HN 0.214 nan 8.150 nan 0.000 0.513 245 A N 3.214 126.045 122.820 0.019 0.000 2.567 245 A HA 0.472 4.792 4.320 0.000 0.000 0.240 245 A C 1.008 178.600 177.584 0.013 0.000 1.053 245 A CA 0.830 52.877 52.037 0.017 0.000 0.755 245 A CB -0.532 18.475 19.000 0.011 0.000 0.978 245 A HN 1.533 nan 8.150 nan 0.000 0.507 246 T N -0.474 114.090 114.554 0.017 0.000 2.948 246 T HA 0.472 4.822 4.350 0.000 0.000 0.285 246 T C 1.377 176.083 174.700 0.011 0.000 1.019 246 T CA -0.001 62.107 62.100 0.014 0.000 1.013 246 T CB 1.013 69.893 68.868 0.021 0.000 1.117 246 T HN 1.144 nan 8.240 nan 0.000 0.533 247 S N 0.656 116.361 115.700 0.008 0.000 2.413 247 S HA -0.239 4.231 4.470 0.000 0.000 0.237 247 S C 1.181 175.785 174.600 0.007 0.000 1.044 247 S CA 1.802 60.006 58.200 0.006 0.000 1.024 247 S CB -0.685 62.518 63.200 0.004 0.000 0.829 247 S HN 0.871 nan 8.310 nan 0.000 0.475 248 E N -0.618 119.588 120.200 0.010 0.000 2.441 248 E HA 0.454 4.804 4.350 0.000 0.000 0.212 248 E C -0.183 176.425 176.600 0.013 0.000 0.840 248 E CA -0.063 56.344 56.400 0.011 0.000 1.143 248 E CB 0.714 30.420 29.700 0.010 0.000 1.153 248 E HN 0.274 nan 8.360 nan 0.000 0.539 249 V N 0.655 120.579 119.914 0.017 0.000 2.628 249 V HA 0.544 4.664 4.120 0.000 0.000 0.306 249 V C 1.087 177.193 176.094 0.020 0.000 1.045 249 V CA -0.207 62.105 62.300 0.020 0.000 0.905 249 V CB 1.612 33.449 31.823 0.024 0.000 0.997 249 V HN 0.299 nan 8.190 nan 0.000 0.436 250 G N 3.449 112.260 108.800 0.018 0.000 2.942 250 G HA2 -0.122 3.838 3.960 0.000 0.000 0.199 250 G HA3 -0.122 3.838 3.960 0.000 0.000 0.199 250 G C 0.610 175.527 174.900 0.027 0.000 1.440 250 G CA 1.020 46.132 45.100 0.019 0.000 0.815 250 G HN 0.923 nan 8.290 nan 0.000 0.675 251 S N -0.826 114.891 115.700 0.027 0.000 2.478 251 S HA 0.440 4.910 4.470 0.000 0.000 0.312 251 S C 1.235 175.856 174.600 0.035 0.000 1.094 251 S CA -0.779 57.443 58.200 0.037 0.000 1.081 251 S CB 1.360 64.578 63.200 0.031 0.000 1.007 251 S HN 0.220 nan 8.310 nan 0.000 0.475 252 L N 5.750 127.004 121.223 0.053 0.000 1.989 252 L HA -0.117 4.223 4.340 0.000 0.000 0.211 252 L C 2.858 179.726 176.870 -0.003 0.000 1.071 252 L CA 2.261 57.126 54.840 0.042 0.000 0.749 252 L CB -1.139 40.978 42.059 0.097 0.000 0.890 252 L HN 0.811 nan 8.230 nan 0.000 0.431 253 V N -2.120 117.786 119.914 -0.013 0.000 2.324 253 V HA -0.186 3.934 4.120 0.000 0.000 0.250 253 V C 2.350 178.431 176.094 -0.021 0.000 1.060 253 V CA 1.897 64.172 62.300 -0.041 0.000 1.042 253 V CB -1.936 29.861 31.823 -0.045 0.000 0.650 253 V HN 0.399 nan 8.190 nan 0.000 0.450 254 G N 1.292 110.091 108.800 -0.001 0.000 2.679 254 G HA2 -0.379 3.581 3.960 0.000 0.000 0.217 254 G HA3 -0.379 3.581 3.960 0.000 0.000 0.217 254 G C 1.890 176.790 174.900 0.000 0.000 1.267 254 G CA 2.682 47.784 45.100 0.002 0.000 0.799 254 G HN 0.962 nan 8.290 nan 0.000 0.606 255 S N 0.044 115.746 115.700 0.004 0.000 2.387 255 S HA -0.193 4.277 4.470 0.000 0.000 0.230 255 S C 2.417 177.016 174.600 -0.001 0.000 1.035 255 S CA 2.095 60.297 58.200 0.005 0.000 1.014 255 S CB -0.684 62.521 63.200 0.009 0.000 0.836 255 S HN 0.422 nan 8.310 nan 0.000 0.466 256 S N 1.412 117.106 115.700 -0.010 0.000 2.345 256 S HA -0.098 4.372 4.470 0.000 0.000 0.220 256 S C 2.125 176.715 174.600 -0.018 0.000 1.031 256 S CA 1.554 59.742 58.200 -0.019 0.000 0.996 256 S CB -0.962 62.215 63.200 -0.038 0.000 0.882 256 S HN 0.639 nan 8.310 nan 0.000 0.445 257 S N 0.959 116.647 115.700 -0.019 0.000 2.359 257 S HA -0.127 4.343 4.470 0.000 0.000 0.223 257 S C 2.034 176.631 174.600 -0.006 0.000 1.039 257 S CA 1.954 60.145 58.200 -0.014 0.000 1.042 257 S CB -1.173 62.018 63.200 -0.014 0.000 0.915 257 S HN 0.742 nan 8.310 nan 0.000 0.439 258 T N 3.273 117.826 114.554 -0.002 0.000 2.580 258 T HA -0.124 4.226 4.350 0.000 0.000 0.265 258 T C 1.835 176.538 174.700 0.005 0.000 1.063 258 T CA 1.613 63.715 62.100 0.004 0.000 1.170 258 T CB -0.808 68.064 68.868 0.006 0.000 0.863 258 T HN 0.238 nan 8.240 nan 0.000 0.418 259 L N 0.861 122.087 121.223 0.005 0.000 2.042 259 L HA -0.143 4.197 4.340 0.000 0.000 0.210 259 L C 2.932 179.805 176.870 0.005 0.000 1.076 259 L CA 1.189 56.033 54.840 0.007 0.000 0.749 259 L CB -0.715 41.348 42.059 0.006 0.000 0.893 259 L HN 0.222 nan 8.230 nan 0.000 0.432 260 S N -0.803 114.897 115.700 -0.001 0.000 2.368 260 S HA -0.220 4.250 4.470 0.000 0.000 0.225 260 S C 1.958 176.558 174.600 -0.001 0.000 1.030 260 S CA 1.178 59.376 58.200 -0.003 0.000 0.999 260 S CB -0.225 62.969 63.200 -0.010 0.000 0.844 260 S HN 0.462 nan 8.310 nan 0.000 0.459 261 Q N 0.806 120.606 119.800 0.001 0.000 2.112 261 Q HA -0.146 4.194 4.340 0.000 0.000 0.206 261 Q C 2.510 178.515 176.000 0.008 0.000 0.987 261 Q CA 1.491 57.296 55.803 0.004 0.000 0.858 261 Q CB -0.414 28.327 28.738 0.005 0.000 0.905 261 Q HN 0.610 nan 8.270 nan 0.000 0.420 262 A N 1.156 123.983 122.820 0.011 0.000 1.858 262 A HA -0.199 4.121 4.320 0.000 0.000 0.216 262 A C 2.078 179.670 177.584 0.015 0.000 1.190 262 A CA 1.314 53.360 52.037 0.016 0.000 0.617 262 A CB -0.769 18.243 19.000 0.020 0.000 0.827 262 A HN 0.296 nan 8.150 nan 0.000 0.443 263 I N 0.788 121.365 120.570 0.010 0.000 2.074 263 I HA -0.369 3.801 4.170 0.000 0.000 0.238 263 I C 2.957 179.076 176.117 0.003 0.000 1.037 263 I CA 2.171 63.475 61.300 0.007 0.000 1.301 263 I CB -0.479 37.523 38.000 0.004 0.000 1.016 263 I HN 0.532 nan 8.210 nan 0.000 0.400 264 S N 0.101 115.802 115.700 0.001 0.000 2.399 264 S HA -0.201 4.269 4.470 0.000 0.000 0.231 264 S C 2.045 176.643 174.600 -0.003 0.000 1.022 264 S CA 1.592 59.790 58.200 -0.002 0.000 0.983 264 S CB -1.279 61.918 63.200 -0.003 0.000 0.803 264 S HN 0.640 nan 8.310 nan 0.000 0.480 265 T N -0.429 114.127 114.554 0.003 0.000 2.746 265 T HA -0.016 4.334 4.350 0.000 0.000 0.267 265 T C 1.725 176.428 174.700 0.004 0.000 1.039 265 T CA 1.342 63.446 62.100 0.006 0.000 1.142 265 T CB -0.571 68.307 68.868 0.017 0.000 0.866 265 T HN 0.244 nan 8.240 nan 0.000 0.444 266 M N 2.145 121.750 119.600 0.007 0.000 2.108 266 M HA 0.183 4.663 4.480 0.000 0.000 0.261 266 M C 2.662 178.955 176.300 -0.011 0.000 1.066 266 M CA 1.293 56.595 55.300 0.004 0.000 1.107 266 M CB -1.167 31.439 32.600 0.009 0.000 1.356 266 M HN 0.449 nan 8.290 nan 0.000 0.406 267 A N -0.681 122.132 122.820 -0.012 0.000 1.917 267 A HA -0.099 4.221 4.320 0.000 0.000 0.219 267 A C 2.353 179.918 177.584 -0.032 0.000 1.182 267 A CA 2.034 54.060 52.037 -0.019 0.000 0.633 267 A CB -1.660 17.332 19.000 -0.014 0.000 0.819 267 A HN 0.558 nan 8.150 nan 0.000 0.448 268 G N -1.039 107.741 108.800 -0.033 0.000 2.421 268 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 268 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 268 G C 1.579 176.429 174.900 -0.083 0.000 1.143 268 G CA 0.989 46.060 45.100 -0.048 0.000 0.784 268 G HN 0.557 nan 8.290 nan 0.000 0.541 269 K N 0.173 120.527 120.400 -0.078 0.000 2.288 269 K HA -0.089 4.231 4.320 0.000 0.000 0.201 269 K C 0.779 177.291 176.600 -0.147 0.000 1.048 269 K CA 0.703 56.911 56.287 -0.130 0.000 0.956 269 K CB -0.077 32.383 32.500 -0.066 0.000 0.746 269 K HN 0.164 nan 8.250 nan 0.000 0.461 270 D N 0.028 120.375 120.400 -0.088 0.000 2.882 270 D HA -0.221 4.419 4.640 0.000 0.000 0.229 270 D C 0.338 176.611 176.300 -0.046 0.000 1.167 270 D CA 0.773 54.735 54.000 -0.065 0.000 0.759 270 D CB -0.548 40.209 40.800 -0.073 0.000 1.088 270 D HN 0.236 nan 8.370 nan 0.000 0.425 271 L N -0.372 120.829 121.223 -0.036 0.000 3.416 271 L HA -0.441 3.899 4.340 0.000 0.000 0.064 271 L C 1.982 178.853 176.870 0.002 0.000 4.443 271 L CA 2.954 57.787 54.840 -0.012 0.000 0.473 271 L CB -1.660 40.397 42.059 -0.004 0.000 3.550 271 L HN 0.213 nan 8.230 nan 0.000 0.667 272 D N -0.729 119.672 120.400 0.001 0.000 2.200 272 D HA -0.253 4.387 4.640 0.000 0.000 0.192 272 D C 2.068 178.398 176.300 0.049 0.000 1.008 272 D CA 2.087 56.096 54.000 0.016 0.000 0.872 272 D CB -0.159 40.645 40.800 0.006 0.000 0.923 272 D HN 0.308 nan 8.370 nan 0.000 0.447 273 L N 1.037 122.288 121.223 0.047 0.000 2.223 273 L HA -0.294 4.046 4.340 0.000 0.000 0.230 273 L C 2.347 179.386 176.870 0.282 0.000 1.110 273 L CA 1.622 56.552 54.840 0.151 0.000 0.834 273 L CB -0.639 41.419 42.059 -0.001 0.000 0.915 273 L HN 0.223 nan 8.230 nan 0.000 0.450 274 I N -1.250 119.426 120.570 0.177 0.000 2.493 274 I HA -0.157 4.013 4.170 0.000 0.000 0.254 274 I C 0.916 177.080 176.117 0.079 0.000 1.160 274 I CA 0.764 62.145 61.300 0.134 0.000 1.445 274 I CB -0.954 37.096 38.000 0.082 0.000 1.086 274 I HN 0.278 nan 8.210 nan 0.000 0.433 275 E N 1.624 121.862 120.200 0.063 0.000 2.341 275 E HA 0.423 4.773 4.350 0.000 0.000 0.279 275 E C -0.148 176.473 176.600 0.035 0.000 1.395 275 E CA -0.073 56.348 56.400 0.035 0.000 1.648 275 E CB 0.194 29.907 29.700 0.022 0.000 1.524 275 E HN 0.261 nan 8.360 nan 0.000 0.462 276 A N 1.196 124.039 122.820 0.038 0.000 2.466 276 A HA 0.380 4.700 4.320 0.000 0.000 0.291 276 A C -0.237 177.347 177.584 -0.000 0.000 1.234 276 A CA -0.727 51.326 52.037 0.026 0.000 0.752 276 A CB 0.612 19.647 19.000 0.058 0.000 1.153 276 A HN 0.173 nan 8.150 nan 0.000 0.458 277 D N 0.742 121.137 120.400 -0.009 0.000 2.197 277 D HA 0.061 4.701 4.640 0.000 0.000 0.212 277 D C 1.008 177.272 176.300 -0.060 0.000 0.963 277 D CA 1.853 55.838 54.000 -0.024 0.000 0.864 277 D CB 0.204 40.996 40.800 -0.013 0.000 1.009 277 D HN 0.593 nan 8.370 nan 0.000 0.479 278 T N -0.843 113.681 114.554 -0.050 0.000 2.859 278 T HA 0.509 4.859 4.350 0.000 0.000 0.281 278 T C -2.685 171.980 174.700 -0.058 0.000 1.005 278 T CA -2.248 59.815 62.100 -0.061 0.000 1.025 278 T CB 1.434 70.279 68.868 -0.038 0.000 0.977 278 T HN -0.283 nan 8.240 nan 0.000 0.458 279 P HA 0.019 nan 4.420 nan 0.000 0.241 279 P C -0.958 176.330 177.300 -0.020 0.000 1.093 279 P CA 0.098 63.161 63.100 -0.061 0.000 0.843 279 P CB -0.176 31.489 31.700 -0.058 0.000 0.760 280 L N 7.455 128.676 121.223 -0.003 0.000 2.272 280 L HA 0.488 4.828 4.340 0.000 0.000 0.289 280 L C -2.215 174.702 176.870 0.078 0.000 1.032 280 L CA -2.499 52.372 54.840 0.051 0.000 0.810 280 L CB 1.103 43.224 42.059 0.103 0.000 1.205 280 L HN 0.168 nan 8.230 nan 0.000 0.422 281 P HA -0.020 nan 4.420 nan 0.000 0.266 281 P C 1.303 178.668 177.300 0.108 0.000 1.215 281 P CA -0.041 63.100 63.100 0.068 0.000 0.763 281 P CB 0.850 32.574 31.700 0.041 0.000 0.806 282 V N 2.826 122.803 119.914 0.106 0.000 2.251 282 V HA -0.403 3.717 4.120 0.000 0.000 0.259 282 V C 2.201 178.376 176.094 0.135 0.000 1.078 282 V CA 3.021 65.402 62.300 0.135 0.000 1.072 282 V CB -2.642 29.238 31.823 0.095 0.000 0.681 282 V HN 0.617 nan 8.190 nan 0.000 0.454 283 S N 0.362 116.110 115.700 0.080 0.000 2.383 283 S HA -0.174 4.296 4.470 0.000 0.000 0.229 283 S C 1.856 176.474 174.600 0.029 0.000 1.030 283 S CA 1.851 60.081 58.200 0.050 0.000 1.002 283 S CB -0.965 62.252 63.200 0.029 0.000 0.829 283 S HN 0.601 nan 8.310 nan 0.000 0.467 284 V N 0.594 120.527 119.914 0.030 0.000 2.270 284 V HA -0.036 4.084 4.120 0.000 0.000 0.245 284 V C 2.140 178.180 176.094 -0.091 0.000 1.043 284 V CA 2.012 64.304 62.300 -0.014 0.000 1.014 284 V CB -0.880 30.949 31.823 0.010 0.000 0.645 284 V HN 0.529 nan 8.190 nan 0.000 0.447 285 F N 0.923 120.874 119.950 0.000 0.000 2.187 285 F HA -0.003 4.524 4.527 0.000 0.000 0.295 285 F C 1.370 177.215 175.800 0.074 0.000 1.091 285 F CA 0.953 58.960 58.000 0.012 0.000 1.308 285 F CB -0.125 38.910 39.000 0.060 0.000 1.030 285 F HN 0.043 nan 8.300 nan 0.000 0.487 286 T N 3.640 118.292 114.554 0.164 0.000 2.761 286 T HA 0.220 4.570 4.350 0.000 0.000 0.296 286 T C -1.889 172.866 174.700 0.091 0.000 0.934 286 T CA -1.125 61.097 62.100 0.203 0.000 1.091 286 T CB 1.322 70.308 68.868 0.197 0.000 0.896 286 T HN 0.043 nan 8.240 nan 0.000 0.515 287 P HA 0.247 nan 4.420 nan 0.000 0.322 287 P C -0.040 177.297 177.300 0.062 0.000 1.414 287 P CA -0.520 62.622 63.100 0.070 0.000 0.876 287 P CB 0.271 32.028 31.700 0.095 0.000 2.176 288 S N -0.760 114.970 115.700 0.051 0.000 2.499 288 S HA 0.461 4.931 4.470 0.000 0.000 0.279 288 S C -0.431 174.190 174.600 0.036 0.000 1.219 288 S CA -0.522 57.700 58.200 0.037 0.000 1.062 288 S CB -1.003 62.212 63.200 0.025 0.000 0.978 288 S HN 0.114 nan 8.310 nan 0.000 0.489 289 L N 3.612 124.853 121.223 0.031 0.000 2.325 289 L HA 0.777 5.117 4.340 0.000 0.000 0.278 289 L C 0.135 177.015 176.870 0.016 0.000 1.023 289 L CA -0.600 54.256 54.840 0.027 0.000 0.811 289 L CB 1.726 43.804 42.059 0.032 0.000 1.249 289 L HN 0.749 nan 8.230 nan 0.000 0.431 290 A N 3.838 126.666 122.820 0.013 0.000 2.337 290 A HA 0.844 5.164 4.320 0.000 0.000 0.331 290 A C -2.555 175.033 177.584 0.006 0.000 1.137 290 A CA -1.668 50.373 52.037 0.007 0.000 0.807 290 A CB 0.776 19.777 19.000 0.001 0.000 1.250 290 A HN 0.425 nan 8.150 nan 0.000 0.468 291 P HA 0.213 nan 4.420 nan 0.000 0.267 291 P C -0.410 176.884 177.300 -0.010 0.000 1.201 291 P CA 0.148 63.251 63.100 0.006 0.000 0.775 291 P CB 0.374 32.079 31.700 0.007 0.000 0.854 292 R N 0.472 120.968 120.500 -0.006 0.000 2.867 292 R HA 0.604 4.944 4.340 0.000 0.000 0.268 292 R C -0.789 175.376 176.300 -0.224 0.000 1.014 292 R CA -0.730 55.282 56.100 -0.148 0.000 0.946 292 R CB 1.790 31.951 30.300 -0.232 0.000 1.208 292 R HN 0.316 nan 8.270 nan 0.000 0.477 293 S N 1.316 116.758 115.700 -0.430 0.000 2.498 293 S HA 0.615 5.085 4.470 0.000 0.000 0.317 293 S C -1.261 173.089 174.600 -0.417 0.000 1.090 293 S CA -0.511 57.533 58.200 -0.259 0.000 1.089 293 S CB 0.637 63.772 63.200 -0.109 0.000 0.997 293 S HN 0.330 nan 8.310 nan 0.000 0.470 294 Y N 1.469 121.853 120.300 0.140 0.000 2.570 294 Y HA 0.609 5.159 4.550 0.000 0.000 0.345 294 Y C 0.443 176.416 175.900 0.122 0.000 1.014 294 Y CA -1.393 56.810 58.100 0.172 0.000 1.063 294 Y CB 1.393 40.064 38.460 0.351 0.000 1.272 294 Y HN 0.541 nan 8.280 nan 0.000 0.477 295 R N 0.828 121.477 120.500 0.248 0.000 2.589 295 R HA 0.599 4.939 4.340 0.000 0.000 0.293 295 R C -2.808 173.546 176.300 0.089 0.000 0.963 295 R CA -1.729 54.459 56.100 0.147 0.000 0.905 295 R CB 1.687 32.054 30.300 0.113 0.000 1.144 295 R HN 0.269 nan 8.270 nan 0.000 0.459 296 P HA -0.185 nan 4.420 nan 0.000 0.197 296 P C 0.765 178.042 177.300 -0.038 0.000 1.076 296 P CA 2.240 65.335 63.100 -0.009 0.000 0.876 296 P CB -0.078 31.615 31.700 -0.012 0.000 0.705 297 A N -1.418 121.345 122.820 -0.095 0.000 5.159 297 A HA -0.300 4.020 4.320 0.000 0.000 0.362 297 A C 1.119 178.521 177.584 -0.302 0.000 1.583 297 A CA 2.637 54.544 52.037 -0.216 0.000 0.689 297 A CB -2.278 16.690 19.000 -0.054 0.000 1.532 297 A HN 0.301 nan 8.150 nan 0.000 0.417 298 F N -1.291 118.656 119.950 -0.005 0.000 2.850 298 F HA 0.476 5.003 4.527 0.000 0.000 0.329 298 F C 0.511 176.299 175.800 -0.020 0.000 1.182 298 F CA -0.462 57.530 58.000 -0.013 0.000 1.270 298 F CB 0.590 39.587 39.000 -0.005 0.000 0.979 298 F HN 0.413 nan 8.300 nan 0.000 0.506 299 I N 1.244 121.881 120.570 0.112 0.000 3.138 299 I HA 0.101 4.271 4.170 0.000 0.000 0.288 299 I C 0.099 176.217 176.117 0.003 0.000 1.148 299 I CA -0.079 61.243 61.300 0.037 0.000 1.315 299 I CB 0.432 38.423 38.000 -0.015 0.000 1.426 299 I HN -0.116 nan 8.210 nan 0.000 0.615 300 K N 6.687 127.069 120.400 -0.032 0.000 2.464 300 K HA 0.323 4.643 4.320 0.000 0.000 0.252 300 K C -2.017 174.537 176.600 -0.077 0.000 1.000 300 K CA -1.788 54.477 56.287 -0.038 0.000 0.951 300 K CB 1.105 33.590 32.500 -0.024 0.000 1.183 300 K HN 0.259 nan 8.250 nan 0.000 0.445 301 P HA -0.241 nan 4.420 nan 0.000 0.219 301 P C 0.570 177.817 177.300 -0.090 0.000 1.153 301 P CA 1.501 64.540 63.100 -0.101 0.000 0.865 301 P CB 0.468 32.114 31.700 -0.090 0.000 0.788 302 E N -0.749 119.410 120.200 -0.068 0.000 2.085 302 E HA -0.171 4.179 4.350 0.000 0.000 0.194 302 E C 1.754 178.321 176.600 -0.055 0.000 0.994 302 E CA 1.330 57.696 56.400 -0.056 0.000 0.801 302 E CB -0.580 29.094 29.700 -0.043 0.000 0.743 302 E HN 0.400 nan 8.360 nan 0.000 0.453 303 D N -0.398 119.966 120.400 -0.060 0.000 2.301 303 D HA 0.075 4.715 4.640 0.000 0.000 0.206 303 D C 0.162 176.418 176.300 -0.073 0.000 0.979 303 D CA 0.441 54.409 54.000 -0.053 0.000 0.874 303 D CB 0.329 41.109 40.800 -0.035 0.000 0.968 303 D HN 0.072 nan 8.370 nan 0.000 0.510 304 A N 1.834 124.575 122.820 -0.131 0.000 2.798 304 A HA 0.133 4.453 4.320 0.000 0.000 0.316 304 A C 1.260 178.683 177.584 -0.268 0.000 1.506 304 A CA -0.430 51.461 52.037 -0.242 0.000 1.162 304 A CB 0.203 18.989 19.000 -0.357 0.000 1.138 304 A HN -0.058 nan 8.150 nan 0.000 0.532 305 K N 1.791 122.113 120.400 -0.130 0.000 2.044 305 K HA -0.222 4.098 4.320 0.000 0.000 0.224 305 K C 1.570 178.154 176.600 -0.027 0.000 1.056 305 K CA 2.450 58.716 56.287 -0.035 0.000 0.962 305 K CB -0.278 32.269 32.500 0.079 0.000 0.730 305 K HN 1.040 nan 8.250 nan 0.000 0.453 306 W N 0.727 121.985 121.300 -0.070 0.000 3.077 306 W HA 0.265 4.925 4.660 0.000 0.000 0.245 306 W C 0.311 176.781 176.519 -0.082 0.000 1.316 306 W CA -0.066 57.224 57.345 -0.091 0.000 1.537 306 W CB -0.469 28.910 29.460 -0.135 0.000 1.131 306 W HN -0.016 nan 8.180 nan 0.000 0.695 307 I N 1.063 121.232 120.570 -0.669 0.000 2.586 307 I HA 0.534 4.704 4.170 0.000 0.000 0.281 307 I C -0.473 175.422 176.117 -0.369 0.000 1.145 307 I CA -0.216 60.730 61.300 -0.590 0.000 1.073 307 I CB 0.901 38.260 38.000 -1.068 0.000 1.238 307 I HN -0.098 nan 8.210 nan 0.000 0.461 308 A N 5.812 128.516 122.820 -0.193 0.000 2.468 308 A HA 0.913 5.233 4.320 0.000 0.000 0.270 308 A C -1.009 176.521 177.584 -0.089 0.000 1.217 308 A CA -0.422 51.539 52.037 -0.126 0.000 0.908 308 A CB 1.556 20.506 19.000 -0.085 0.000 1.423 308 A HN 0.544 nan 8.150 nan 0.000 0.459 309 E N -0.679 119.474 120.200 -0.079 0.000 2.317 309 E HA 0.453 4.803 4.350 0.000 0.000 0.270 309 E C -1.683 174.865 176.600 -0.086 0.000 0.885 309 E CA -0.592 55.771 56.400 -0.062 0.000 0.760 309 E CB 1.787 31.441 29.700 -0.077 0.000 1.227 309 E HN 0.433 nan 8.360 nan 0.000 0.434 310 F N 3.613 123.509 119.950 -0.090 0.000 2.553 310 F HA 0.056 4.583 4.527 0.000 0.000 0.356 310 F C 0.809 176.567 175.800 -0.071 0.000 1.142 310 F CA -0.085 57.862 58.000 -0.089 0.000 1.322 310 F CB 0.487 39.429 39.000 -0.096 0.000 1.126 310 F HN 0.301 nan 8.300 nan 0.000 0.599 311 N N 3.825 121.614 118.700 -1.519 0.000 2.443 311 N HA 0.148 4.888 4.740 0.000 0.000 0.295 311 N C -0.977 174.140 175.510 -0.654 0.000 1.076 311 N CA -0.872 51.675 53.050 -0.838 0.000 0.919 311 N CB 0.949 39.069 38.487 -0.612 0.000 1.176 311 N HN 0.601 nan 8.380 nan 0.000 0.487 312 N N 0.809 119.357 118.700 -0.255 0.000 2.395 312 N HA -0.052 4.688 4.740 0.000 0.000 0.246 312 N C -1.008 174.471 175.510 -0.052 0.000 1.246 312 N CA 0.708 53.710 53.050 -0.080 0.000 0.879 312 N CB 0.084 38.542 38.487 -0.048 0.000 1.098 312 N HN 0.695 nan 8.380 nan 0.000 0.444 313 S N 0.133 115.860 115.700 0.046 0.000 3.027 313 S HA -0.026 4.444 4.470 0.000 0.000 0.809 313 S C 0.181 174.883 174.600 0.170 0.000 0.729 313 S CA 0.143 58.386 58.200 0.070 0.000 1.515 313 S CB -2.019 61.190 63.200 0.016 0.000 1.062 313 S HN 1.092 nan 8.310 nan 0.000 0.682 314 S N 1.469 117.260 115.700 0.151 0.000 6.372 314 S HA 0.492 4.962 4.470 0.000 0.000 0.097 314 S C -0.296 174.312 174.600 0.012 0.000 1.206 314 S CA -0.086 58.178 58.200 0.106 0.000 1.380 314 S CB -0.146 63.160 63.200 0.176 0.000 1.932 314 S HN 1.767 nan 8.310 nan 0.000 0.560 315 L N 2.143 123.352 121.223 -0.022 0.000 2.108 315 L HA -0.010 4.330 4.340 0.000 0.000 0.685 315 L C -1.543 175.266 176.870 -0.101 0.000 1.058 315 L CA -0.048 54.756 54.840 -0.061 0.000 1.399 315 L CB -1.119 40.915 42.059 -0.043 0.000 2.171 315 L HN 0.590 nan 8.230 nan 0.000 0.994 316 I N 2.390 122.868 120.570 -0.154 0.000 2.347 316 I HA 0.269 4.439 4.170 0.000 0.000 0.283 316 I C 1.162 177.188 176.117 -0.151 0.000 1.058 316 I CA -0.527 60.681 61.300 -0.154 0.000 1.202 316 I CB 1.042 38.928 38.000 -0.191 0.000 1.386 316 I HN 0.484 nan 8.210 nan 0.000 0.475 317 R N 3.131 123.554 120.500 -0.129 0.000 2.009 317 R HA 0.156 4.496 4.340 0.000 0.000 0.213 317 R C 0.509 176.711 176.300 -0.163 0.000 1.297 317 R CA 0.108 56.124 56.100 -0.140 0.000 1.008 317 R CB -0.291 29.944 30.300 -0.108 0.000 0.852 317 R HN 0.130 nan 8.270 nan 0.000 0.475 318 K N 2.430 122.754 120.400 -0.126 0.000 2.310 318 K HA 0.123 4.443 4.320 0.000 0.000 0.290 318 K C -1.194 175.347 176.600 -0.097 0.000 1.077 318 K CA 0.013 56.228 56.287 -0.120 0.000 0.922 318 K CB 0.622 33.068 32.500 -0.091 0.000 1.057 318 K HN 0.468 nan 8.250 nan 0.000 0.479 319 T N 2.427 116.920 114.554 -0.102 0.000 2.812 319 T HA 0.357 4.707 4.350 0.000 0.000 0.282 319 T C -0.371 174.319 174.700 -0.016 0.000 0.990 319 T CA -1.053 61.014 62.100 -0.056 0.000 0.960 319 T CB 0.836 69.677 68.868 -0.046 0.000 0.948 319 T HN 0.408 nan 8.240 nan 0.000 0.438 320 L N 4.639 125.854 121.223 -0.013 0.000 2.559 320 L HA 0.240 4.580 4.340 0.000 0.000 0.274 320 L C 1.573 178.463 176.870 0.032 0.000 1.205 320 L CA 1.222 56.061 54.840 -0.001 0.000 0.907 320 L CB 0.578 42.621 42.059 -0.027 0.000 1.153 320 L HN 1.073 nan 8.230 nan 0.000 0.490 321 T N 1.968 116.566 114.554 0.073 0.000 3.000 321 T HA 0.171 4.521 4.350 0.000 0.000 0.248 321 T C 0.113 174.909 174.700 0.160 0.000 1.034 321 T CA 0.070 62.247 62.100 0.129 0.000 1.060 321 T CB -0.017 68.972 68.868 0.202 0.000 0.983 321 T HN 0.444 nan 8.240 nan 0.000 0.482 322 Y N 0.999 121.321 120.300 0.037 0.000 2.829 322 Y HA 0.577 5.127 4.550 0.000 0.000 0.322 322 Y C -1.134 174.778 175.900 0.020 0.000 1.357 322 Y CA -2.111 56.005 58.100 0.027 0.000 1.081 322 Y CB 1.461 39.938 38.460 0.028 0.000 1.339 322 Y HN -0.014 nan 8.280 nan 0.000 0.469 323 S N 1.830 116.449 115.700 -1.802 0.000 2.507 323 S HA 0.343 4.813 4.470 0.000 0.000 0.299 323 S C 0.731 175.055 174.600 -0.461 0.000 1.214 323 S CA 0.733 58.388 58.200 -0.908 0.000 1.137 323 S CB -0.641 62.136 63.200 -0.706 0.000 1.009 323 S HN 1.378 nan 8.310 nan 0.000 0.512 324 G N 2.468 111.114 108.800 -0.257 0.000 2.341 324 G HA2 -0.071 3.889 3.960 0.000 0.000 0.292 324 G HA3 -0.071 3.889 3.960 0.000 0.000 0.292 324 G C 0.061 174.924 174.900 -0.062 0.000 1.021 324 G CA 0.194 45.222 45.100 -0.120 0.000 0.905 324 G HN 1.187 nan 8.290 nan 0.000 0.508 325 A N -0.672 122.112 122.820 -0.059 0.000 2.414 325 A HA 1.009 5.329 4.320 0.000 0.000 0.306 325 A C 0.026 177.640 177.584 0.050 0.000 1.054 325 A CA 0.346 52.405 52.037 0.036 0.000 0.724 325 A CB 1.788 20.877 19.000 0.148 0.000 1.267 325 A HN 1.641 nan 8.150 nan 0.000 0.418 326 T N -0.941 113.653 114.554 0.067 0.000 2.912 326 T HA 0.643 4.993 4.350 0.000 0.000 0.299 326 T C -1.167 173.596 174.700 0.105 0.000 1.052 326 T CA -0.492 61.644 62.100 0.059 0.000 0.996 326 T CB 1.353 70.224 68.868 0.005 0.000 1.070 326 T HN 1.148 nan 8.240 nan 0.000 0.465 327 Y N 1.799 122.094 120.300 -0.007 0.000 2.442 327 Y HA 0.553 5.103 4.550 0.000 0.000 0.344 327 Y C -0.199 175.692 175.900 -0.014 0.000 0.976 327 Y CA -0.982 57.106 58.100 -0.020 0.000 1.040 327 Y CB 2.012 40.488 38.460 0.027 0.000 1.228 327 Y HN 0.953 nan 8.280 nan 0.000 0.451 328 T N 3.190 117.264 114.554 -0.800 0.000 2.782 328 T HA 0.161 4.511 4.350 0.000 0.000 0.298 328 T C 0.887 174.942 174.700 -1.076 0.000 0.944 328 T CA -0.328 61.351 62.100 -0.701 0.000 1.001 328 T CB 0.647 69.344 68.868 -0.284 0.000 0.932 328 T HN 0.667 nan 8.240 nan 0.000 0.524 329 V N 2.762 122.188 119.914 -0.813 0.000 2.759 329 V HA -0.080 4.040 4.120 0.000 0.000 0.256 329 V C 1.654 177.674 176.094 -0.125 0.000 1.080 329 V CA 1.779 63.858 62.300 -0.368 0.000 1.101 329 V CB -1.085 30.677 31.823 -0.102 0.000 0.698 329 V HN 1.144 nan 8.190 nan 0.000 0.477 330 Q N -1.084 118.610 119.800 -0.177 0.000 2.480 330 Q HA -0.240 4.100 4.340 0.000 0.000 0.265 330 Q C -0.133 175.800 176.000 -0.111 0.000 1.072 330 Q CA 0.890 56.612 55.803 -0.135 0.000 1.018 330 Q CB -2.344 26.317 28.738 -0.128 0.000 1.433 330 Q HN 0.590 nan 8.270 nan 0.000 0.513 331 L N -0.347 120.798 121.223 -0.130 0.000 2.780 331 L HA 0.294 4.634 4.340 0.000 0.000 0.275 331 L C 1.081 177.920 176.870 -0.052 0.000 1.153 331 L CA 2.123 56.870 54.840 -0.155 0.000 0.993 331 L CB -0.257 41.579 42.059 -0.373 0.000 1.319 331 L HN 0.407 nan 8.230 nan 0.000 0.479 332 G N 4.217 113.068 108.800 0.085 0.000 3.507 332 G HA2 0.229 4.189 3.960 0.000 0.000 0.162 332 G HA3 0.229 4.189 3.960 0.000 0.000 0.162 332 G C -2.814 172.171 174.900 0.141 0.000 1.230 332 G CA -0.123 45.078 45.100 0.169 0.000 1.412 332 G HN 0.381 nan 8.290 nan 0.000 0.723 333 P HA 0.239 nan 4.420 nan 0.000 0.263 333 P C 0.694 177.994 177.300 -0.001 0.000 1.345 333 P CA 1.451 64.553 63.100 0.004 0.000 1.119 333 P CB 0.026 31.715 31.700 -0.018 0.000 1.363 334 G N 4.564 113.363 108.800 -0.002 0.000 2.323 334 G HA2 -0.198 3.762 3.960 0.000 0.000 0.292 334 G HA3 -0.198 3.762 3.960 0.000 0.000 0.292 334 G C -2.181 172.715 174.900 -0.006 0.000 1.040 334 G CA -0.775 44.313 45.100 -0.019 0.000 0.942 334 G HN 0.353 nan 8.290 nan 0.000 0.506 335 P HA 0.285 nan 4.420 nan 0.000 0.263 335 P C 1.354 178.662 177.300 0.013 0.000 1.345 335 P CA 0.892 64.016 63.100 0.039 0.000 1.119 335 P CB -0.059 31.688 31.700 0.078 0.000 1.363 336 T N 1.406 115.941 114.554 -0.033 0.000 13.732 336 T HA -0.269 4.081 4.350 0.000 0.000 0.419 336 T C 0.592 175.269 174.700 -0.039 0.000 1.441 336 T CA 0.824 62.891 62.100 -0.054 0.000 2.344 336 T CB -0.876 67.958 68.868 -0.057 0.000 2.781 336 T HN 0.435 nan 8.240 nan 0.000 0.464 337 R N 0.422 120.914 120.500 -0.012 0.000 2.692 337 R HA 0.572 4.912 4.340 0.000 0.000 0.269 337 R C -1.233 175.079 176.300 0.021 0.000 1.030 337 R CA -0.451 55.640 56.100 -0.014 0.000 0.882 337 R CB 1.707 31.981 30.300 -0.044 0.000 1.250 337 R HN 0.744 nan 8.270 nan 0.000 0.465 338 V N 0.197 120.119 119.914 0.013 0.000 2.311 338 V HA 0.539 4.659 4.120 0.000 0.000 0.275 338 V C 0.035 176.169 176.094 0.066 0.000 1.022 338 V CA -0.832 61.499 62.300 0.052 0.000 0.830 338 V CB 0.782 32.623 31.823 0.029 0.000 1.012 338 V HN 0.502 nan 8.190 nan 0.000 0.452 339 I N 5.338 125.991 120.570 0.138 0.000 2.363 339 I HA 0.265 4.435 4.170 0.000 0.000 0.292 339 I C 0.504 176.723 176.117 0.171 0.000 1.075 339 I CA 0.402 61.793 61.300 0.153 0.000 1.333 339 I CB 0.368 38.524 38.000 0.260 0.000 1.415 339 I HN 0.587 nan 8.210 nan 0.000 0.502 340 D N 8.366 128.845 120.400 0.132 0.000 2.558 340 D HA 0.103 4.743 4.640 0.000 0.000 0.221 340 D C 0.495 176.805 176.300 0.017 0.000 1.143 340 D CA 0.012 54.084 54.000 0.119 0.000 1.010 340 D CB 0.717 41.583 40.800 0.110 0.000 1.068 340 D HN 0.406 nan 8.370 nan 0.000 0.511 341 M N 0.965 120.469 119.600 -0.161 0.000 2.723 341 M HA 0.030 4.510 4.480 0.000 0.000 0.270 341 M C 0.344 176.418 176.300 -0.377 0.000 1.282 341 M CA -0.327 54.620 55.300 -0.588 0.000 0.995 341 M CB -1.332 30.443 32.600 -1.374 0.000 1.430 341 M HN -0.017 nan 8.290 nan 0.000 0.477 342 N N 1.615 120.236 118.700 -0.132 0.000 2.508 342 N HA 0.343 5.083 4.740 0.000 0.000 0.253 342 N C 0.205 175.752 175.510 0.062 0.000 1.145 342 N CA 0.326 53.363 53.050 -0.021 0.000 0.973 342 N CB 0.198 38.667 38.487 -0.031 0.000 1.305 342 N HN 0.412 nan 8.380 nan 0.000 0.506 343 A N 3.633 126.541 122.820 0.147 0.000 2.519 343 A HA -0.172 4.148 4.320 0.000 0.000 0.297 343 A C 0.054 177.747 177.584 0.181 0.000 1.472 343 A CA 0.569 52.718 52.037 0.187 0.000 0.739 343 A CB -1.455 17.617 19.000 0.121 0.000 1.096 343 A HN 0.589 nan 8.150 nan 0.000 0.414 344 M N 0.977 120.748 119.600 0.285 0.000 3.157 344 M HA 0.392 4.872 4.480 0.000 0.000 0.213 344 M C 0.735 177.217 176.300 0.303 0.000 1.177 344 M CA -0.123 55.310 55.300 0.222 0.000 1.109 344 M CB -1.582 31.074 32.600 0.094 0.000 1.262 344 M HN 1.362 nan 8.290 nan 0.000 0.570 345 I N -1.330 119.342 120.570 0.169 0.000 7.292 345 I HA -0.338 3.832 4.170 0.000 0.000 0.126 345 I C -0.670 175.396 176.117 -0.085 0.000 1.519 345 I CA 0.753 62.087 61.300 0.055 0.000 2.398 345 I CB -0.547 37.465 38.000 0.020 0.000 3.030 345 I HN 0.469 nan 8.210 nan 0.000 0.266 346 D N 1.618 121.907 120.400 -0.184 0.000 2.381 346 D HA 0.617 5.257 4.640 0.000 0.000 0.235 346 D C -0.727 175.408 176.300 -0.275 0.000 1.068 346 D CA -0.283 53.492 54.000 -0.376 0.000 0.832 346 D CB 1.559 42.179 40.800 -0.300 0.000 1.101 346 D HN 0.607 nan 8.370 nan 0.000 0.515 347 S N 0.546 116.037 115.700 -0.348 0.000 2.667 347 S HA 0.571 5.041 4.470 0.000 0.000 0.292 347 S C -0.509 174.028 174.600 -0.105 0.000 1.126 347 S CA -0.703 57.417 58.200 -0.133 0.000 0.881 347 S CB 2.327 65.563 63.200 0.060 0.000 1.132 347 S HN 0.171 nan 8.310 nan 0.000 0.492 348 V N 2.462 122.348 119.914 -0.047 0.000 2.376 348 V HA 0.348 4.468 4.120 0.000 0.000 0.287 348 V C -0.576 175.492 176.094 -0.044 0.000 1.015 348 V CA -0.495 61.785 62.300 -0.035 0.000 0.834 348 V CB 1.099 32.903 31.823 -0.033 0.000 1.001 348 V HN 0.710 nan 8.190 nan 0.000 0.428 349 L N 4.686 125.870 121.223 -0.066 0.000 2.451 349 L HA 0.150 4.490 4.340 0.000 0.000 0.272 349 L C 0.704 177.459 176.870 -0.192 0.000 1.258 349 L CA 0.164 54.910 54.840 -0.157 0.000 1.132 349 L CB -0.349 41.519 42.059 -0.318 0.000 1.361 349 L HN 0.637 nan 8.230 nan 0.000 0.438 350 T N 3.269 117.741 114.554 -0.137 0.000 3.182 350 T HA 0.164 4.514 4.350 0.000 0.000 0.274 350 T C 0.031 174.631 174.700 -0.167 0.000 0.997 350 T CA -0.254 61.731 62.100 -0.190 0.000 1.082 350 T CB -0.030 68.740 68.868 -0.163 0.000 1.005 350 T HN 0.137 nan 8.240 nan 0.000 0.688 351 L N 4.311 125.429 121.223 -0.175 0.000 2.281 351 L HA 0.322 4.662 4.340 0.000 0.000 0.285 351 L C -0.441 176.385 176.870 -0.074 0.000 1.074 351 L CA -0.045 54.742 54.840 -0.088 0.000 0.817 351 L CB 0.507 42.526 42.059 -0.065 0.000 1.168 351 L HN 0.409 nan 8.230 nan 0.000 0.434 352 D N 5.889 126.278 120.400 -0.019 0.000 2.438 352 D HA 0.251 4.891 4.640 0.000 0.000 0.257 352 D C -0.810 175.527 176.300 0.062 0.000 1.148 352 D CA -0.172 53.839 54.000 0.017 0.000 0.902 352 D CB 1.606 42.414 40.800 0.014 0.000 1.062 352 D HN 0.216 nan 8.370 nan 0.000 0.518 353 V N 0.726 120.699 119.914 0.098 0.000 2.394 353 V HA 0.648 4.768 4.120 0.000 0.000 0.282 353 V C 0.395 176.608 176.094 0.198 0.000 1.031 353 V CA -0.399 61.987 62.300 0.145 0.000 0.881 353 V CB 1.441 33.367 31.823 0.172 0.000 0.982 353 V HN 0.433 nan 8.190 nan 0.000 0.451 354 S N 2.520 118.321 115.700 0.168 0.000 2.547 354 S HA 0.743 5.213 4.470 0.000 0.000 0.270 354 S C 0.509 175.196 174.600 0.145 0.000 1.150 354 S CA 0.803 59.097 58.200 0.157 0.000 0.850 354 S CB 1.658 64.901 63.200 0.072 0.000 1.118 354 S HN 2.002 nan 8.310 nan 0.000 0.461 355 G N 2.048 110.935 108.800 0.145 0.000 5.045 355 G HA2 -0.253 3.707 3.960 0.000 0.000 0.229 355 G HA3 -0.253 3.707 3.960 0.000 0.000 0.229 355 G C 0.240 175.234 174.900 0.157 0.000 1.440 355 G CA 0.293 45.467 45.100 0.124 0.000 0.936 355 G HN 1.383 nan 8.290 nan 0.000 0.690 356 T N 1.698 116.334 114.554 0.137 0.000 2.751 356 T HA 0.403 4.753 4.350 0.000 0.000 0.279 356 T C 1.114 175.875 174.700 0.103 0.000 0.941 356 T CA 1.184 63.348 62.100 0.107 0.000 1.192 356 T CB 1.227 70.127 68.868 0.053 0.000 0.883 356 T HN 0.731 nan 8.240 nan 0.000 0.534 357 I N 3.605 124.245 120.570 0.116 0.000 4.228 357 I HA 0.319 4.489 4.170 0.000 0.000 0.298 357 I C -0.094 176.122 176.117 0.164 0.000 1.206 357 I CA -0.002 61.339 61.300 0.067 0.000 1.322 357 I CB 0.299 38.319 38.000 0.035 0.000 1.411 357 I HN 0.622 nan 8.210 nan 0.000 0.454 358 L N 2.830 124.135 121.223 0.136 0.000 3.642 358 L HA -0.171 4.169 4.340 0.000 0.000 0.613 358 L C -2.086 174.813 176.870 0.048 0.000 1.064 358 L CA -0.596 54.332 54.840 0.147 0.000 1.039 358 L CB -1.754 40.450 42.059 0.243 0.000 1.226 358 L HN 0.203 nan 8.230 nan 0.000 0.764 359 P HA -0.040 nan 4.420 nan 0.000 0.266 359 P C -0.080 177.120 177.300 -0.168 0.000 1.195 359 P CA 0.016 62.983 63.100 -0.222 0.000 0.768 359 P CB 0.353 31.978 31.700 -0.125 0.000 0.838 360 Y N 2.307 122.421 120.300 -0.310 0.000 2.846 360 Y HA -0.245 4.305 4.550 0.000 0.000 0.352 360 Y C 1.806 177.650 175.900 -0.093 0.000 1.298 360 Y CA -0.266 57.621 58.100 -0.355 0.000 1.634 360 Y CB -0.319 37.830 38.460 -0.518 0.000 1.214 360 Y HN 0.567 nan 8.280 nan 0.000 0.529 361 D N 1.254 121.793 120.400 0.231 0.000 1.968 361 D HA -0.366 4.274 4.640 0.000 0.000 0.610 361 D C 0.951 177.316 176.300 0.107 0.000 0.770 361 D CA 2.380 56.493 54.000 0.189 0.000 1.714 361 D CB -0.528 40.417 40.800 0.241 0.000 0.305 361 D HN 0.538 nan 8.370 nan 0.000 0.353 362 T N 0.335 114.942 114.554 0.089 0.000 3.751 362 T HA 0.213 4.563 4.350 0.000 0.000 0.240 362 T C -1.507 173.217 174.700 0.040 0.000 1.004 362 T CA -0.643 61.489 62.100 0.054 0.000 1.645 362 T CB -0.616 68.276 68.868 0.041 0.000 0.763 362 T HN 0.024 nan 8.240 nan 0.000 0.625 363 N N 3.785 122.511 118.700 0.045 0.000 2.372 363 N HA 0.420 5.160 4.740 0.000 0.000 0.291 363 N C -2.291 173.241 175.510 0.036 0.000 1.024 363 N CA -1.926 51.143 53.050 0.032 0.000 0.873 363 N CB 2.142 40.637 38.487 0.013 0.000 1.206 363 N HN 0.249 nan 8.380 nan 0.000 0.486 364 P HA 0.067 nan 4.420 nan 0.000 0.285 364 P C -0.684 176.631 177.300 0.026 0.000 1.521 364 P CA 0.450 63.560 63.100 0.017 0.000 0.792 364 P CB 0.037 31.743 31.700 0.011 0.000 1.613 365 D N -0.067 120.367 120.400 0.058 0.000 2.772 365 D HA 0.177 4.817 4.640 0.000 0.000 0.272 365 D C 1.474 177.811 176.300 0.062 0.000 1.314 365 D CA -0.183 53.880 54.000 0.104 0.000 0.835 365 D CB 0.560 41.441 40.800 0.134 0.000 1.080 365 D HN 0.213 nan 8.370 nan 0.000 0.482 366 L N 0.089 121.292 121.223 -0.034 0.000 2.102 366 L HA -0.015 4.325 4.340 0.000 0.000 0.202 366 L C 1.354 178.147 176.870 -0.127 0.000 1.076 366 L CA 0.523 55.283 54.840 -0.133 0.000 0.761 366 L CB -0.408 41.602 42.059 -0.082 0.000 0.921 366 L HN -0.030 nan 8.230 nan 0.000 0.444 367 S N -0.119 115.546 115.700 -0.058 0.000 2.562 367 S HA 0.196 4.666 4.470 0.000 0.000 0.281 367 S C 0.842 175.425 174.600 -0.028 0.000 1.333 367 S CA 0.177 58.356 58.200 -0.035 0.000 1.052 367 S CB 0.822 64.015 63.200 -0.012 0.000 0.884 367 S HN 0.530 nan 8.310 nan 0.000 0.506 368 T N -1.736 112.802 114.554 -0.026 0.000 5.504 368 T HA -0.195 4.155 4.350 0.000 0.000 0.268 368 T C 0.051 174.735 174.700 -0.026 0.000 2.211 368 T CA 0.486 62.579 62.100 -0.013 0.000 3.769 368 T CB -3.067 65.811 68.868 0.016 0.000 0.563 368 T HN 1.500 nan 8.240 nan 0.000 1.119 369 S N 1.140 116.782 115.700 -0.097 0.000 2.498 369 S HA 0.729 5.199 4.470 0.000 0.000 0.324 369 S C 0.204 174.687 174.600 -0.195 0.000 1.071 369 S CA -0.293 57.806 58.200 -0.168 0.000 1.113 369 S CB 1.861 64.782 63.200 -0.466 0.000 0.976 369 S HN 1.461 nan 8.310 nan 0.000 0.462 370 V N -0.408 119.419 119.914 -0.145 0.000 2.630 370 V HA 0.694 4.814 4.120 0.000 0.000 0.305 370 V C -3.134 172.855 176.094 -0.175 0.000 1.046 370 V CA -3.214 58.986 62.300 -0.167 0.000 0.934 370 V CB 0.990 32.760 31.823 -0.088 0.000 1.003 370 V HN 0.484 nan 8.190 nan 0.000 0.451 371 P HA 0.441 nan 4.420 nan 0.000 0.265 371 P C -0.417 176.833 177.300 -0.084 0.000 1.222 371 P CA 0.680 63.649 63.100 -0.218 0.000 0.767 371 P CB 0.601 32.090 31.700 -0.352 0.000 0.801 372 A N 3.926 126.710 122.820 -0.059 0.000 2.479 372 A HA 0.764 5.084 4.320 0.000 0.000 0.296 372 A C -1.618 176.012 177.584 0.077 0.000 1.121 372 A CA -0.618 51.425 52.037 0.009 0.000 0.743 372 A CB 1.132 20.106 19.000 -0.043 0.000 1.323 372 A HN 0.419 nan 8.150 nan 0.000 0.415 373 F N 1.424 121.367 119.950 -0.010 0.000 2.458 373 F HA 0.662 5.189 4.527 0.000 0.000 0.336 373 F C -0.987 174.830 175.800 0.029 0.000 1.114 373 F CA -0.534 57.474 58.000 0.012 0.000 0.987 373 F CB 1.765 40.779 39.000 0.023 0.000 1.130 373 F HN 0.328 nan 8.300 nan 0.000 0.458 374 V N 7.530 126.925 119.914 -0.866 0.000 2.483 374 V HA 0.354 4.474 4.120 0.000 0.000 0.297 374 V C -0.629 174.940 176.094 -0.876 0.000 1.027 374 V CA -0.810 61.106 62.300 -0.640 0.000 0.855 374 V CB 1.470 33.139 31.823 -0.257 0.000 0.995 374 V HN 0.719 nan 8.190 nan 0.000 0.424 375 L N 6.075 126.962 121.223 -0.560 0.000 2.350 375 L HA 0.582 4.922 4.340 0.000 0.000 0.275 375 L C -0.402 176.423 176.870 -0.076 0.000 1.099 375 L CA 0.357 55.057 54.840 -0.233 0.000 0.808 375 L CB 1.057 43.125 42.059 0.015 0.000 1.149 375 L HN 0.517 nan 8.230 nan 0.000 0.442 376 I N 4.195 124.788 120.570 0.038 0.000 2.362 376 I HA 0.339 4.509 4.170 0.000 0.000 0.289 376 I C -0.504 175.725 176.117 0.187 0.000 0.994 376 I CA -0.377 60.990 61.300 0.111 0.000 1.158 376 I CB 1.374 39.465 38.000 0.151 0.000 1.315 376 I HN 0.545 nan 8.210 nan 0.000 0.451 377 Q N 4.480 124.338 119.800 0.095 0.000 2.788 377 Q HA 0.351 4.691 4.340 0.000 0.000 0.261 377 Q C -0.576 175.417 176.000 -0.011 0.000 1.029 377 Q CA -0.235 55.580 55.803 0.019 0.000 0.848 377 Q CB 1.763 30.499 28.738 -0.004 0.000 1.185 377 Q HN 0.629 nan 8.270 nan 0.000 0.482 378 T N -0.987 113.576 114.554 0.017 0.000 2.886 378 T HA 0.252 4.602 4.350 0.000 0.000 0.292 378 T C 0.525 175.094 174.700 -0.219 0.000 1.012 378 T CA -0.475 61.614 62.100 -0.018 0.000 0.982 378 T CB 1.443 70.363 68.868 0.087 0.000 1.018 378 T HN 0.233 nan 8.240 nan 0.000 0.451 379 S N 2.338 117.855 115.700 -0.304 0.000 2.660 379 S HA 0.110 4.580 4.470 0.000 0.000 0.223 379 S C 0.453 175.109 174.600 0.093 0.000 0.963 379 S CA -0.051 57.886 58.200 -0.439 0.000 0.932 379 S CB -0.094 62.932 63.200 -0.289 0.000 0.775 379 S HN 0.553 nan 8.310 nan 0.000 0.531 380 V N 4.189 124.202 119.914 0.164 0.000 2.294 380 V HA 0.268 4.388 4.120 0.000 0.000 0.272 380 V C -2.531 173.760 176.094 0.328 0.000 1.027 380 V CA -2.333 60.104 62.300 0.228 0.000 0.823 380 V CB 0.902 32.792 31.823 0.111 0.000 1.030 380 V HN 0.048 nan 8.190 nan 0.000 0.457 381 P HA 0.066 nan 4.420 nan 0.000 0.260 381 P C 1.385 178.747 177.300 0.104 0.000 1.185 381 P CA 0.010 63.294 63.100 0.306 0.000 0.763 381 P CB 0.425 32.219 31.700 0.157 0.000 0.776 382 I N 2.413 122.935 120.570 -0.080 0.000 2.317 382 I HA -0.352 3.818 4.170 0.000 0.000 0.244 382 I C 1.809 177.977 176.117 0.085 0.000 0.986 382 I CA 2.134 63.352 61.300 -0.138 0.000 1.286 382 I CB -1.337 36.468 38.000 -0.325 0.000 0.983 382 I HN 0.463 nan 8.210 nan 0.000 0.422 383 Q N -0.232 119.602 119.800 0.057 0.000 2.364 383 Q HA -0.181 4.159 4.340 0.000 0.000 0.207 383 Q C 1.999 178.057 176.000 0.096 0.000 0.970 383 Q CA 0.968 56.813 55.803 0.071 0.000 0.888 383 Q CB -0.291 28.443 28.738 -0.007 0.000 0.951 383 Q HN 0.571 nan 8.270 nan 0.000 0.469 384 Q N -1.091 118.758 119.800 0.082 0.000 2.424 384 Q HA 0.090 4.430 4.340 0.000 0.000 0.204 384 Q C -0.237 175.799 176.000 0.059 0.000 0.933 384 Q CA 0.166 56.010 55.803 0.069 0.000 0.929 384 Q CB 0.708 29.485 28.738 0.064 0.000 1.037 384 Q HN 0.066 nan 8.270 nan 0.000 0.511 385 V N 2.209 122.157 119.914 0.057 0.000 2.287 385 V HA 0.061 4.181 4.120 0.000 0.000 0.246 385 V C 1.085 177.133 176.094 -0.076 0.000 1.165 385 V CA 0.730 63.015 62.300 -0.025 0.000 1.088 385 V CB -0.312 31.450 31.823 -0.101 0.000 1.242 385 V HN 0.399 nan 8.190 nan 0.000 0.497 386 T N -0.608 113.923 114.554 -0.038 0.000 3.000 386 T HA 0.109 4.459 4.350 0.000 0.000 0.248 386 T C 0.883 175.543 174.700 -0.067 0.000 1.034 386 T CA 0.647 62.722 62.100 -0.042 0.000 1.060 386 T CB 0.484 69.359 68.868 0.010 0.000 0.983 386 T HN 0.651 nan 8.240 nan 0.000 0.482 387 T N -1.817 112.701 114.554 -0.060 0.000 2.910 387 T HA 0.773 5.123 4.350 0.000 0.000 0.287 387 T C 1.593 176.252 174.700 -0.068 0.000 1.050 387 T CA -0.219 61.844 62.100 -0.062 0.000 1.011 387 T CB 1.474 70.318 68.868 -0.040 0.000 1.195 387 T HN 0.102 nan 8.240 nan 0.000 0.540 388 A N 0.779 123.561 122.820 -0.064 0.000 1.997 388 A HA 0.084 4.404 4.320 0.000 0.000 0.221 388 A C 2.610 180.169 177.584 -0.041 0.000 1.172 388 A CA 2.496 54.499 52.037 -0.056 0.000 0.645 388 A CB -1.652 17.318 19.000 -0.050 0.000 0.813 388 A HN 1.430 nan 8.150 nan 0.000 0.454 389 A N 0.573 123.373 122.820 -0.034 0.000 1.917 389 A HA -0.279 4.041 4.320 0.000 0.000 0.219 389 A C 1.804 179.377 177.584 -0.018 0.000 1.182 389 A CA 2.164 54.188 52.037 -0.023 0.000 0.633 389 A CB -0.854 18.136 19.000 -0.017 0.000 0.819 389 A HN 0.646 nan 8.150 nan 0.000 0.448 390 N N 0.682 119.370 118.700 -0.021 0.000 2.094 390 N HA -0.211 4.529 4.740 0.000 0.000 0.191 390 N C 1.475 176.979 175.510 -0.010 0.000 1.023 390 N CA 1.884 54.926 53.050 -0.012 0.000 0.857 390 N CB -0.858 37.619 38.487 -0.018 0.000 1.013 390 N HN 0.741 nan 8.380 nan 0.000 0.426 391 I N -1.913 118.642 120.570 -0.025 0.000 2.300 391 I HA -0.288 3.882 4.170 0.000 0.000 0.252 391 I C 1.145 177.263 176.117 0.002 0.000 1.119 391 I CA 1.314 62.602 61.300 -0.019 0.000 1.384 391 I CB -1.268 36.712 38.000 -0.034 0.000 1.062 391 I HN 0.100 nan 8.210 nan 0.000 0.426 392 T N -0.134 114.417 114.554 -0.005 0.000 13.467 392 T HA -0.361 3.989 4.350 0.000 0.000 0.419 392 T C 0.614 175.310 174.700 -0.006 0.000 1.441 392 T CA 2.263 64.358 62.100 -0.007 0.000 2.354 392 T CB -1.808 67.052 68.868 -0.014 0.000 2.797 392 T HN 1.219 nan 8.240 nan 0.000 0.557 393 A N 1.940 124.760 122.820 0.001 0.000 2.310 393 A HA 0.693 5.013 4.320 0.000 0.000 0.304 393 A C -0.183 177.405 177.584 0.007 0.000 1.231 393 A CA -0.747 51.292 52.037 0.004 0.000 0.799 393 A CB 0.235 19.237 19.000 0.004 0.000 1.162 393 A HN 0.805 nan 8.150 nan 0.000 0.486 394 I N 1.697 122.267 120.570 -0.001 0.000 2.287 394 I HA 0.478 4.648 4.170 0.000 0.000 0.290 394 I C 0.272 176.387 176.117 -0.003 0.000 1.069 394 I CA -0.264 61.032 61.300 -0.007 0.000 1.237 394 I CB 0.862 38.857 38.000 -0.008 0.000 1.418 394 I HN 0.412 nan 8.210 nan 0.000 0.481 395 T N 2.869 117.415 114.554 -0.013 0.000 2.770 395 T HA 0.491 4.841 4.350 0.000 0.000 0.297 395 T C 0.014 174.694 174.700 -0.033 0.000 0.997 395 T CA -0.770 61.329 62.100 -0.001 0.000 0.949 395 T CB 1.088 69.966 68.868 0.018 0.000 0.941 395 T HN 0.338 nan 8.240 nan 0.000 0.457 396 V N 5.243 125.153 119.914 -0.006 0.000 2.416 396 V HA 0.023 4.143 4.120 0.000 0.000 0.267 396 V C 1.376 177.489 176.094 0.031 0.000 1.007 396 V CA -0.071 62.225 62.300 -0.006 0.000 1.102 396 V CB -0.499 31.340 31.823 0.026 0.000 1.035 396 V HN 0.901 nan 8.190 nan 0.000 0.473 397 V N 3.380 123.323 119.914 0.048 0.000 2.581 397 V HA 0.046 4.166 4.120 0.000 0.000 0.240 397 V C 1.130 177.326 176.094 0.170 0.000 1.054 397 V CA 0.979 63.364 62.300 0.142 0.000 1.076 397 V CB 0.306 32.271 31.823 0.236 0.000 0.748 397 V HN 0.796 nan 8.190 nan 0.000 0.474 398 S N 0.392 116.226 115.700 0.223 0.000 2.328 398 S HA 0.725 5.195 4.470 0.000 0.000 0.204 398 S C 0.393 175.074 174.600 0.134 0.000 1.475 398 S CA 0.321 58.650 58.200 0.215 0.000 1.148 398 S CB 1.199 64.574 63.200 0.291 0.000 1.077 398 S HN 0.493 nan 8.310 nan 0.000 0.479 399 A N 1.370 124.242 122.820 0.086 0.000 2.295 399 A HA 0.793 5.113 4.320 0.000 0.000 0.193 399 A C 1.230 178.844 177.584 0.051 0.000 1.512 399 A CA 0.733 52.803 52.037 0.055 0.000 1.103 399 A CB -0.431 18.581 19.000 0.020 0.000 1.331 399 A HN 1.356 nan 8.150 nan 0.000 0.501 400 A N -0.430 122.419 122.820 0.049 0.000 5.218 400 A HA -0.069 4.251 4.320 0.000 0.000 0.318 400 A C 1.556 179.147 177.584 0.011 0.000 1.887 400 A CA 1.430 53.488 52.037 0.036 0.000 0.712 400 A CB -2.042 16.989 19.000 0.052 0.000 1.343 400 A HN 2.115 nan 8.150 nan 0.000 0.377 401 G N -0.347 108.461 108.800 0.013 0.000 2.494 401 G HA2 0.613 4.573 3.960 0.000 0.000 0.297 401 G HA3 0.613 4.573 3.960 0.000 0.000 0.297 401 G C 0.182 175.071 174.900 -0.017 0.000 0.971 401 G CA 1.046 46.141 45.100 -0.009 0.000 1.378 401 G HN 2.084 nan 8.290 nan 0.000 0.456 402 A N 2.923 125.712 122.820 -0.052 0.000 3.126 402 A HA 0.587 4.907 4.320 0.000 0.000 0.268 402 A C 1.210 178.750 177.584 -0.073 0.000 1.605 402 A CA 0.145 52.147 52.037 -0.059 0.000 1.305 402 A CB -0.215 18.747 19.000 -0.064 0.000 1.160 402 A HN 0.889 nan 8.150 nan 0.000 0.609 403 S N 0.084 115.758 115.700 -0.044 0.000 3.657 403 S HA 0.929 5.399 4.470 0.000 0.000 0.183 403 S C 0.324 174.913 174.600 -0.019 0.000 0.995 403 S CA 0.247 58.429 58.200 -0.029 0.000 1.333 403 S CB 0.367 63.550 63.200 -0.028 0.000 1.197 403 S HN 2.118 nan 8.310 nan 0.000 0.856 404 A N -0.239 122.579 122.820 -0.004 0.000 2.519 404 A HA 0.639 4.959 4.320 0.000 0.000 0.298 404 A C -2.104 175.495 177.584 0.025 0.000 0.963 404 A CA -0.256 51.788 52.037 0.012 0.000 0.624 404 A CB 0.009 18.998 19.000 -0.019 0.000 1.356 404 A HN 1.385 nan 8.150 nan 0.000 0.441 405 I N 0.050 120.653 120.570 0.056 0.000 2.775 405 I HA 0.510 4.680 4.170 0.000 0.000 0.295 405 I C -0.941 175.227 176.117 0.085 0.000 1.287 405 I CA -0.483 60.847 61.300 0.050 0.000 1.029 405 I CB 2.111 40.131 38.000 0.034 0.000 1.282 405 I HN 0.568 nan 8.210 nan 0.000 0.426 406 N N 6.710 125.441 118.700 0.051 0.000 2.736 406 N HA 0.140 4.880 4.740 0.000 0.000 0.307 406 N C 0.768 176.304 175.510 0.044 0.000 1.212 406 N CA 0.276 53.359 53.050 0.056 0.000 1.158 406 N CB -0.215 38.288 38.487 0.026 0.000 1.460 406 N HN 0.540 nan 8.380 nan 0.000 0.514 407 L N -0.289 120.976 121.223 0.070 0.000 2.478 407 L HA 0.093 4.433 4.340 0.000 0.000 0.223 407 L C 1.092 177.901 176.870 -0.103 0.000 1.140 407 L CA -0.101 54.689 54.840 -0.082 0.000 0.842 407 L CB -0.246 41.637 42.059 -0.294 0.000 0.953 407 L HN 0.372 nan 8.230 nan 0.000 0.452 408 A N 0.685 123.544 122.820 0.066 0.000 2.450 408 A HA 0.273 4.593 4.320 0.000 0.000 0.255 408 A C 0.344 177.944 177.584 0.026 0.000 1.096 408 A CA -0.355 51.729 52.037 0.078 0.000 0.778 408 A CB -0.282 18.804 19.000 0.143 0.000 1.031 408 A HN 0.221 nan 8.150 nan 0.000 0.494 409 I N 3.314 123.893 120.570 0.015 0.000 2.906 409 I HA -0.101 4.069 4.170 0.000 0.000 0.312 409 I C 1.083 177.210 176.117 0.017 0.000 1.169 409 I CA 0.470 61.775 61.300 0.008 0.000 2.267 409 I CB -0.970 37.031 38.000 0.003 0.000 1.624 409 I HN 0.740 nan 8.210 nan 0.000 1.067 410 N N 2.119 120.829 118.700 0.016 0.000 2.463 410 N HA -0.066 4.674 4.740 0.000 0.000 0.181 410 N C 1.781 177.299 175.510 0.013 0.000 1.078 410 N CA 0.163 53.223 53.050 0.018 0.000 0.902 410 N CB 0.299 38.796 38.487 0.017 0.000 0.970 410 N HN 0.361 nan 8.380 nan 0.000 0.451 411 V N 0.961 120.881 119.914 0.009 0.000 2.380 411 V HA -0.209 3.911 4.120 0.000 0.000 0.251 411 V C 1.207 177.306 176.094 0.009 0.000 1.063 411 V CA 1.655 63.959 62.300 0.007 0.000 1.055 411 V CB -0.278 31.548 31.823 0.004 0.000 0.657 411 V HN 0.278 nan 8.190 nan 0.000 0.455 412 R N -0.284 120.223 120.500 0.011 0.000 2.696 412 R HA 0.464 4.804 4.340 0.000 0.000 0.355 412 R C 1.266 177.575 176.300 0.015 0.000 1.138 412 R CA 0.534 56.641 56.100 0.012 0.000 1.059 412 R CB 0.344 30.651 30.300 0.011 0.000 1.380 412 R HN 0.451 nan 8.270 nan 0.000 0.578 413 G N -0.098 108.711 108.800 0.016 0.000 2.253 413 G HA2 -0.363 3.597 3.960 0.000 0.000 0.251 413 G HA3 -0.363 3.597 3.960 0.000 0.000 0.251 413 G C 0.039 174.954 174.900 0.025 0.000 0.998 413 G CA -0.092 45.020 45.100 0.020 0.000 0.621 413 G HN 0.397 nan 8.290 nan 0.000 0.524 414 Q N 1.316 121.132 119.800 0.026 0.000 2.364 414 Q HA 0.466 4.806 4.340 0.000 0.000 0.267 414 Q C -2.179 173.846 176.000 0.042 0.000 0.999 414 Q CA -0.480 55.343 55.803 0.033 0.000 0.886 414 Q CB 1.192 29.949 28.738 0.031 0.000 1.243 414 Q HN 0.346 nan 8.270 nan 0.000 0.415 415 P HA 0.277 nan 4.420 nan 0.000 0.199 415 P C -1.208 176.148 177.300 0.094 0.000 1.878 415 P CA -0.550 62.592 63.100 0.069 0.000 1.202 415 P CB 0.770 32.507 31.700 0.062 0.000 1.719 416 R N 2.186 122.742 120.500 0.093 0.000 2.337 416 R HA 0.353 4.693 4.340 0.000 0.000 0.319 416 R C -0.493 175.885 176.300 0.130 0.000 0.954 416 R CA -1.036 55.126 56.100 0.103 0.000 0.840 416 R CB 0.552 30.889 30.300 0.061 0.000 1.164 416 R HN 0.313 nan 8.270 nan 0.000 0.472 417 F N 3.221 123.182 119.950 0.018 0.000 2.538 417 F HA -0.055 4.472 4.527 0.000 0.000 0.382 417 F C 1.322 177.132 175.800 0.018 0.000 1.069 417 F CA 0.160 58.170 58.000 0.017 0.000 1.138 417 F CB 0.166 39.179 39.000 0.021 0.000 1.068 417 F HN 0.550 nan 8.300 nan 0.000 0.556 418 N N 6.037 124.306 118.700 -0.718 0.000 2.236 418 N HA -0.141 4.599 4.740 0.000 0.000 0.238 418 N C 0.051 175.252 175.510 -0.514 0.000 1.244 418 N CA -0.258 52.431 53.050 -0.601 0.000 0.848 418 N CB 0.472 38.620 38.487 -0.566 0.000 1.094 418 N HN 0.642 nan 8.380 nan 0.000 0.448 419 M N 2.390 121.862 119.600 -0.212 0.000 2.435 419 M HA 0.195 4.675 4.480 0.000 0.000 0.338 419 M C -1.057 175.228 176.300 -0.025 0.000 1.628 419 M CA -0.282 54.980 55.300 -0.063 0.000 1.215 419 M CB 0.177 32.771 32.600 -0.010 0.000 1.905 419 M HN 0.370 nan 8.290 nan 0.000 0.457 420 L N 4.116 125.396 121.223 0.095 0.000 2.334 420 L HA 0.364 4.704 4.340 0.000 0.000 0.277 420 L C -0.746 176.229 176.870 0.176 0.000 1.075 420 L CA 0.036 54.981 54.840 0.175 0.000 0.804 420 L CB 1.043 43.299 42.059 0.328 0.000 1.174 420 L HN 0.732 nan 8.230 nan 0.000 0.438 421 H N 4.236 123.346 119.070 0.066 0.000 2.661 421 H HA 0.486 5.042 4.556 0.000 0.000 0.290 421 H C -1.048 174.312 175.328 0.054 0.000 1.082 421 H CA -0.433 55.645 56.048 0.050 0.000 1.234 421 H CB 0.451 30.231 29.762 0.029 0.000 1.387 421 H HN 0.547 nan 8.280 nan 0.000 0.476 422 L N 3.952 125.147 121.223 -0.046 0.000 2.357 422 L HA 0.371 4.711 4.340 0.000 0.000 0.273 422 L C -0.266 176.542 176.870 -0.104 0.000 1.080 422 L CA -0.731 54.099 54.840 -0.016 0.000 0.803 422 L CB 1.277 43.356 42.059 0.034 0.000 1.174 422 L HN 0.572 nan 8.230 nan 0.000 0.443 423 Q N 2.267 122.053 119.800 -0.023 0.000 2.304 423 Q HA 0.551 4.891 4.340 0.000 0.000 0.270 423 Q C -1.141 174.858 176.000 -0.001 0.000 1.035 423 Q CA -0.485 55.297 55.803 -0.034 0.000 0.781 423 Q CB 2.395 31.152 28.738 0.032 0.000 1.261 423 Q HN 0.669 nan 8.270 nan 0.000 0.444 424 A N 1.831 124.612 122.820 -0.065 0.000 2.431 424 A HA 0.382 4.702 4.320 0.000 0.000 0.318 424 A C 0.349 177.951 177.584 0.030 0.000 1.330 424 A CA -0.720 51.318 52.037 0.000 0.000 0.804 424 A CB 0.026 18.952 19.000 -0.123 0.000 1.135 424 A HN 0.638 nan 8.150 nan 0.000 0.483 425 T N 0.638 115.219 114.554 0.045 0.000 3.235 425 T HA -0.043 4.307 4.350 0.000 0.000 0.211 425 T C 0.041 174.757 174.700 0.027 0.000 0.983 425 T CA 0.018 62.131 62.100 0.021 0.000 2.783 425 T CB -1.223 67.651 68.868 0.009 0.000 1.023 425 T HN 0.517 nan 8.240 nan 0.000 0.506 426 F N 3.537 123.475 119.950 -0.019 0.000 2.574 426 F HA 0.218 4.745 4.527 0.000 0.000 0.332 426 F C 0.022 175.814 175.800 -0.012 0.000 1.289 426 F CA -1.310 56.685 58.000 -0.009 0.000 1.029 426 F CB -0.712 38.269 39.000 -0.033 0.000 1.346 426 F HN 0.409 nan 8.300 nan 0.000 0.647 427 E N 6.299 126.268 120.200 -0.385 0.000 2.101 427 E HA 0.102 4.452 4.350 0.000 0.000 0.260 427 E C 1.264 177.762 176.600 -0.171 0.000 0.897 427 E CA -0.323 55.871 56.400 -0.343 0.000 0.744 427 E CB 0.728 30.329 29.700 -0.164 0.000 1.140 427 E HN 0.713 nan 8.360 nan 0.000 0.419 428 R N 1.902 122.253 120.500 -0.248 0.000 2.211 428 R HA -0.188 4.152 4.340 0.000 0.000 0.240 428 R C 0.673 176.992 176.300 0.031 0.000 1.144 428 R CA 1.399 57.524 56.100 0.042 0.000 0.992 428 R CB -0.068 30.311 30.300 0.132 0.000 0.869 428 R HN 0.205 nan 8.270 nan 0.000 0.462 429 E N 0.873 121.060 120.200 -0.022 0.000 2.153 429 E HA -0.101 4.249 4.350 0.000 0.000 0.194 429 E C 1.812 178.414 176.600 0.004 0.000 0.988 429 E CA 1.915 58.309 56.400 -0.009 0.000 0.811 429 E CB -0.156 29.529 29.700 -0.026 0.000 0.746 429 E HN 0.375 nan 8.360 nan 0.000 0.466 430 T N 0.597 115.154 114.554 0.006 0.000 2.721 430 T HA -0.186 4.164 4.350 0.000 0.000 0.268 430 T C 1.717 176.435 174.700 0.031 0.000 1.038 430 T CA 1.515 63.629 62.100 0.022 0.000 1.145 430 T CB -0.174 68.712 68.868 0.031 0.000 0.858 430 T HN 0.149 nan 8.240 nan 0.000 0.459 431 I N 0.119 120.715 120.570 0.044 0.000 3.616 431 I HA 0.098 4.268 4.170 0.000 0.000 0.296 431 I C 0.937 177.071 176.117 0.027 0.000 1.226 431 I CA 0.359 61.680 61.300 0.035 0.000 1.394 431 I CB -0.253 37.774 38.000 0.044 0.000 1.171 431 I HN 0.190 nan 8.210 nan 0.000 0.442 432 T N 0.062 114.638 114.554 0.037 0.000 3.882 432 T HA -0.131 4.219 4.350 0.000 0.000 0.366 432 T C 0.884 175.607 174.700 0.038 0.000 0.760 432 T CA 0.251 62.372 62.100 0.035 0.000 1.931 432 T CB -2.594 66.287 68.868 0.023 0.000 1.807 432 T HN 1.327 nan 8.240 nan 0.000 0.790 433 G N 1.538 110.368 108.800 0.050 0.000 2.578 433 G HA2 -0.096 3.864 3.960 0.000 0.000 0.275 433 G HA3 -0.096 3.864 3.960 0.000 0.000 0.275 433 G C 0.703 175.608 174.900 0.009 0.000 1.271 433 G CA 0.520 45.650 45.100 0.049 0.000 0.941 433 G HN 1.784 nan 8.290 nan 0.000 0.564 434 I N -2.652 117.940 120.570 0.036 0.000 4.519 434 I HA -0.233 3.937 4.170 0.000 0.000 0.056 434 I C -1.570 174.411 176.117 -0.226 0.000 0.610 434 I CA 2.009 63.298 61.300 -0.018 0.000 0.951 434 I CB -1.916 36.080 38.000 -0.006 0.000 0.858 434 I HN 0.740 nan 8.210 nan 0.000 0.164 435 P HA 0.263 nan 4.420 nan 0.000 0.219 435 P C -0.738 176.237 177.300 -0.541 0.000 1.847 435 P CA -0.120 62.697 63.100 -0.471 0.000 1.110 435 P CB -0.588 30.966 31.700 -0.242 0.000 1.839 436 Y N 1.107 121.322 120.300 -0.141 0.000 3.073 436 Y HA -0.066 4.484 4.550 0.000 0.000 0.343 436 Y C 1.105 176.585 175.900 -0.701 0.000 1.274 436 Y CA -0.381 57.520 58.100 -0.332 0.000 1.554 436 Y CB -0.588 37.677 38.460 -0.325 0.000 1.250 436 Y HN 0.155 nan 8.280 nan 0.000 0.622 437 I N 4.232 124.529 120.570 -0.456 0.000 2.325 437 I HA 0.255 4.425 4.170 0.000 0.000 0.291 437 I C -0.546 175.300 176.117 -0.453 0.000 1.019 437 I CA -0.204 60.869 61.300 -0.379 0.000 1.302 437 I CB -0.120 37.807 38.000 -0.121 0.000 1.401 437 I HN 0.459 nan 8.210 nan 0.000 0.485 438 Y N 3.755 124.087 120.300 0.054 0.000 2.602 438 Y HA 0.911 5.461 4.550 0.000 0.000 0.342 438 Y C 0.563 176.487 175.900 0.039 0.000 1.029 438 Y CA -1.326 56.803 58.100 0.048 0.000 1.080 438 Y CB 2.195 40.683 38.460 0.046 0.000 1.284 438 Y HN 0.560 nan 8.280 nan 0.000 0.485 439 G N 0.684 109.624 108.800 0.232 0.000 2.703 439 G HA2 0.558 4.518 3.960 0.000 0.000 0.294 439 G HA3 0.558 4.518 3.960 0.000 0.000 0.294 439 G C -2.626 172.313 174.900 0.065 0.000 1.451 439 G CA -0.644 44.491 45.100 0.058 0.000 0.869 439 G HN 0.555 nan 8.290 nan 0.000 0.516 440 L N 0.385 121.512 121.223 -0.160 0.000 2.303 440 L HA 0.982 5.322 4.340 0.000 0.000 0.256 440 L C 0.280 177.143 176.870 -0.012 0.000 1.034 440 L CA -0.466 54.349 54.840 -0.041 0.000 0.832 440 L CB 2.370 44.389 42.059 -0.065 0.000 1.403 440 L HN 0.904 nan 8.230 nan 0.000 0.419 441 G N -0.091 108.735 108.800 0.043 0.000 2.470 441 G HA2 0.609 4.569 3.960 0.000 0.000 0.320 441 G HA3 0.609 4.569 3.960 0.000 0.000 0.320 441 G C -1.306 173.554 174.900 -0.066 0.000 1.245 441 G CA -0.271 44.853 45.100 0.040 0.000 0.935 441 G HN 0.666 nan 8.290 nan 0.000 0.476 442 T N 0.972 115.462 114.554 -0.107 0.000 3.289 442 T HA 0.328 4.678 4.350 0.000 0.000 0.370 442 T C -0.778 173.830 174.700 -0.154 0.000 1.546 442 T CA -0.690 61.302 62.100 -0.181 0.000 1.144 442 T CB 0.245 69.136 68.868 0.039 0.000 1.379 442 T HN 0.963 nan 8.240 nan 0.000 0.478 443 F N 4.483 124.367 119.950 -0.110 0.000 2.583 443 F HA 0.396 4.923 4.527 0.000 0.000 0.330 443 F C -0.069 175.467 175.800 -0.441 0.000 1.298 443 F CA -1.283 56.590 58.000 -0.212 0.000 1.099 443 F CB -1.439 37.456 39.000 -0.175 0.000 1.540 443 F HN 0.376 nan 8.300 nan 0.000 0.673 444 L N 4.281 125.270 121.223 -0.389 0.000 2.326 444 L HA 0.576 4.916 4.340 0.000 0.000 0.278 444 L C -0.514 176.131 176.870 -0.374 0.000 1.092 444 L CA -0.539 53.777 54.840 -0.873 0.000 0.810 444 L CB 1.060 42.847 42.059 -0.455 0.000 1.153 444 L HN 0.666 nan 8.230 nan 0.000 0.439 445 I N 5.904 126.351 120.570 -0.204 0.000 2.530 445 I HA 0.427 4.597 4.170 0.000 0.000 0.297 445 I C -2.009 174.191 176.117 0.139 0.000 1.011 445 I CA -2.330 59.013 61.300 0.071 0.000 1.107 445 I CB 2.674 40.798 38.000 0.207 0.000 1.285 445 I HN 0.530 nan 8.210 nan 0.000 0.436 446 P HA -0.052 nan 4.420 nan 0.000 0.214 446 P C 0.097 177.471 177.300 0.123 0.000 1.162 446 P CA 0.597 63.790 63.100 0.154 0.000 0.871 446 P CB 0.190 31.981 31.700 0.152 0.000 0.783 447 S N 1.001 116.758 115.700 0.096 0.000 2.481 447 S HA 0.141 4.611 4.470 0.000 0.000 0.282 447 S C -2.315 172.317 174.600 0.053 0.000 1.243 447 S CA -1.323 56.919 58.200 0.070 0.000 1.078 447 S CB -0.785 62.448 63.200 0.055 0.000 0.916 447 S HN -0.127 nan 8.310 nan 0.000 0.495 448 P HA 0.088 nan 4.420 nan 0.000 0.264 448 P C -0.484 176.784 177.300 -0.053 0.000 1.193 448 P CA -0.006 63.093 63.100 -0.003 0.000 0.763 448 P CB 0.346 32.040 31.700 -0.009 0.000 0.810 449 T N -0.569 113.916 114.554 -0.114 0.000 2.795 449 T HA 0.277 4.627 4.350 0.000 0.000 0.282 449 T C 0.292 174.888 174.700 -0.172 0.000 0.980 449 T CA -0.783 61.174 62.100 -0.239 0.000 1.012 449 T CB 0.582 69.137 68.868 -0.523 0.000 0.936 449 T HN 0.147 nan 8.240 nan 0.000 0.457 450 S N 2.889 118.503 115.700 -0.143 0.000 2.686 450 S HA 0.092 4.562 4.470 0.000 0.000 0.324 450 S C 1.704 176.284 174.600 -0.034 0.000 1.172 450 S CA -0.216 57.942 58.200 -0.071 0.000 1.127 450 S CB -0.728 62.448 63.200 -0.040 0.000 1.338 450 S HN 0.858 nan 8.310 nan 0.000 0.547 451 S N 4.097 119.771 115.700 -0.043 0.000 2.389 451 S HA -0.191 4.279 4.470 0.000 0.000 0.231 451 S C 2.224 176.813 174.600 -0.018 0.000 1.052 451 S CA 2.362 60.544 58.200 -0.029 0.000 1.053 451 S CB -0.617 62.549 63.200 -0.057 0.000 0.886 451 S HN 0.998 nan 8.310 nan 0.000 0.456 452 S N 1.841 117.530 115.700 -0.018 0.000 2.348 452 S HA -0.152 4.318 4.470 0.000 0.000 0.221 452 S C 1.641 176.243 174.600 0.003 0.000 1.033 452 S CA 1.475 59.667 58.200 -0.013 0.000 1.010 452 S CB -1.133 62.059 63.200 -0.013 0.000 0.891 452 S HN 0.651 nan 8.310 nan 0.000 0.442 453 N N 1.924 120.634 118.700 0.018 0.000 1.997 453 N HA -0.063 4.677 4.740 0.000 0.000 0.198 453 N C 0.604 176.176 175.510 0.104 0.000 1.063 453 N CA 1.413 54.492 53.050 0.048 0.000 0.860 453 N CB -0.846 37.665 38.487 0.039 0.000 1.063 453 N HN 0.562 nan 8.380 nan 0.000 0.424 454 F N 1.953 121.851 119.950 -0.087 0.000 2.626 454 F HA 0.228 4.755 4.527 0.000 0.000 0.353 454 F C 1.220 176.976 175.800 -0.073 0.000 1.230 454 F CA -0.861 57.086 58.000 -0.088 0.000 1.298 454 F CB -0.379 38.508 39.000 -0.189 0.000 1.670 454 F HN 0.068 nan 8.300 nan 0.000 0.633 455 S N 1.289 116.907 115.700 -0.136 0.000 2.420 455 S HA -0.281 4.189 4.470 0.000 0.000 0.237 455 S C 1.057 175.437 174.600 -0.367 0.000 1.023 455 S CA 0.780 58.852 58.200 -0.213 0.000 0.991 455 S CB -0.804 62.331 63.200 -0.108 0.000 0.792 455 S HN 0.769 nan 8.310 nan 0.000 0.488 456 N N 3.423 121.775 118.700 -0.581 0.000 2.440 456 N HA 0.022 4.762 4.740 0.000 0.000 0.265 456 N C -1.299 173.801 175.510 -0.682 0.000 1.239 456 N CA -1.150 51.544 53.050 -0.594 0.000 0.909 456 N CB 1.093 39.253 38.487 -0.545 0.000 1.066 456 N HN 0.148 nan 8.380 nan 0.000 0.474 457 P HA -0.069 nan 4.420 nan 0.000 0.208 457 P C 0.315 177.664 177.300 0.081 0.000 1.195 457 P CA 1.325 64.361 63.100 -0.108 0.000 0.927 457 P CB 0.169 31.844 31.700 -0.043 0.000 0.778 458 T N -2.255 112.358 114.554 0.099 0.000 3.230 458 T HA 0.318 4.668 4.350 0.000 0.000 0.390 458 T C -1.127 173.530 174.700 -0.071 0.000 1.761 458 T CA -0.609 61.605 62.100 0.189 0.000 1.129 458 T CB -0.177 68.783 68.868 0.154 0.000 1.583 458 T HN -0.123 nan 8.240 nan 0.000 0.480 459 L N 3.895 124.994 121.223 -0.206 0.000 3.094 459 L HA 0.467 4.807 4.340 0.000 0.000 0.254 459 L C 1.019 177.711 176.870 -0.297 0.000 1.298 459 L CA -0.225 54.497 54.840 -0.197 0.000 1.050 459 L CB 0.304 42.399 42.059 0.060 0.000 1.420 459 L HN 0.556 nan 8.230 nan 0.000 0.548 460 M N 1.596 120.890 119.600 -0.509 0.000 3.011 460 M HA 0.104 4.584 4.480 0.000 0.000 0.292 460 M C -0.879 175.312 176.300 -0.180 0.000 1.440 460 M CA 0.386 55.447 55.300 -0.397 0.000 1.552 460 M CB -0.354 31.939 32.600 -0.511 0.000 1.187 460 M HN 0.190 nan 8.290 nan 0.000 0.520 461 D N 2.890 123.219 120.400 -0.119 0.000 2.518 461 D HA 0.400 5.040 4.640 0.000 0.000 0.230 461 D C 0.484 176.777 176.300 -0.012 0.000 1.138 461 D CA -0.101 53.859 54.000 -0.067 0.000 0.964 461 D CB 1.009 41.751 40.800 -0.098 0.000 1.011 461 D HN 0.679 nan 8.370 nan 0.000 0.517 462 G N 0.602 109.407 108.800 0.009 0.000 3.407 462 G HA2 0.485 4.445 3.960 0.000 0.000 0.187 462 G HA3 0.485 4.445 3.960 0.000 0.000 0.187 462 G C -0.925 174.008 174.900 0.055 0.000 1.262 462 G CA -0.328 44.796 45.100 0.041 0.000 0.808 462 G HN 0.305 nan 8.290 nan 0.000 0.687 463 L N -0.433 120.826 121.223 0.060 0.000 2.330 463 L HA 0.832 5.172 4.340 0.000 0.000 0.271 463 L C -1.424 175.492 176.870 0.076 0.000 1.013 463 L CA -0.833 54.050 54.840 0.072 0.000 0.816 463 L CB 2.072 44.166 42.059 0.057 0.000 1.287 463 L HN 0.318 nan 8.230 nan 0.000 0.435 464 L N 3.110 124.408 121.223 0.126 0.000 2.454 464 L HA 0.477 4.817 4.340 0.000 0.000 0.258 464 L C -0.791 176.211 176.870 0.220 0.000 1.025 464 L CA 0.168 55.099 54.840 0.152 0.000 0.901 464 L CB 1.213 43.391 42.059 0.199 0.000 1.210 464 L HN 0.634 nan 8.230 nan 0.000 0.457 465 T N 3.933 118.548 114.554 0.103 0.000 2.997 465 T HA 0.286 4.636 4.350 0.000 0.000 0.311 465 T C 0.194 174.938 174.700 0.073 0.000 1.079 465 T CA -0.256 61.898 62.100 0.090 0.000 0.982 465 T CB 0.289 69.168 68.868 0.018 0.000 1.032 465 T HN 0.254 nan 8.240 nan 0.000 0.581 466 V N 4.650 124.655 119.914 0.152 0.000 2.493 466 V HA 0.017 4.137 4.120 0.000 0.000 0.292 466 V C 1.103 177.208 176.094 0.019 0.000 1.016 466 V CA 0.248 62.559 62.300 0.019 0.000 1.097 466 V CB 0.096 31.824 31.823 -0.159 0.000 0.947 466 V HN 0.811 nan 8.190 nan 0.000 0.479 467 T N 9.092 123.636 114.554 -0.016 0.000 3.364 467 T HA 0.172 4.522 4.350 0.000 0.000 0.323 467 T C -2.005 172.675 174.700 -0.033 0.000 1.323 467 T CA -0.860 61.230 62.100 -0.017 0.000 1.073 467 T CB 0.209 69.069 68.868 -0.013 0.000 1.150 467 T HN 0.578 nan 8.240 nan 0.000 0.727 468 P HA 0.058 nan 4.420 nan 0.000 0.244 468 P C 1.479 178.758 177.300 -0.035 0.000 1.723 468 P CA -0.132 62.942 63.100 -0.043 0.000 1.110 468 P CB -0.243 31.439 31.700 -0.031 0.000 1.972 469 V N 1.080 120.964 119.914 -0.051 0.000 2.317 469 V HA -0.214 3.906 4.120 0.000 0.000 0.251 469 V C 1.330 177.399 176.094 -0.040 0.000 1.065 469 V CA 1.314 63.586 62.300 -0.046 0.000 1.049 469 V CB -1.450 30.338 31.823 -0.059 0.000 0.651 469 V HN 0.195 nan 8.190 nan 0.000 0.450 470 L N 0.721 121.912 121.223 -0.054 0.000 2.375 470 L HA 0.379 4.719 4.340 0.000 0.000 0.276 470 L C 1.002 177.861 176.870 -0.019 0.000 1.162 470 L CA 0.176 54.991 54.840 -0.042 0.000 0.991 470 L CB 0.350 42.370 42.059 -0.064 0.000 1.315 470 L HN 0.148 nan 8.230 nan 0.000 0.431 471 L N 2.274 123.493 121.223 -0.007 0.000 2.450 471 L HA -0.028 4.312 4.340 0.000 0.000 0.224 471 L C 1.071 177.953 176.870 0.019 0.000 1.149 471 L CA 0.784 55.631 54.840 0.012 0.000 0.816 471 L CB -0.591 41.477 42.059 0.014 0.000 0.932 471 L HN 0.414 nan 8.230 nan 0.000 0.449 472 R N 1.676 122.181 120.500 0.008 0.000 2.343 472 R HA 0.082 4.422 4.340 0.000 0.000 0.326 472 R C -0.073 176.237 176.300 0.017 0.000 1.055 472 R CA 0.068 56.175 56.100 0.012 0.000 0.961 472 R CB -0.761 29.541 30.300 0.003 0.000 0.978 472 R HN 0.242 nan 8.270 nan 0.000 0.443 473 E N 1.303 121.522 120.200 0.032 0.000 5.193 473 E HA -0.131 4.219 4.350 0.000 0.000 0.181 473 E C -1.210 175.418 176.600 0.047 0.000 1.240 473 E CA 0.176 56.599 56.400 0.037 0.000 1.194 473 E CB -0.452 29.264 29.700 0.027 0.000 1.015 473 E HN 0.695 nan 8.360 nan 0.000 0.369 474 T N 1.655 116.249 114.554 0.066 0.000 2.851 474 T HA 0.335 4.685 4.350 0.000 0.000 0.298 474 T C 0.524 175.272 174.700 0.080 0.000 0.977 474 T CA -0.188 61.956 62.100 0.073 0.000 1.126 474 T CB 1.380 70.308 68.868 0.099 0.000 0.916 474 T HN 0.272 nan 8.240 nan 0.000 0.529 475 T N 3.290 117.889 114.554 0.075 0.000 2.853 475 T HA 0.070 4.420 4.350 0.000 0.000 0.298 475 T C -0.506 174.273 174.700 0.132 0.000 0.978 475 T CA -0.027 62.129 62.100 0.093 0.000 1.152 475 T CB -0.319 68.590 68.868 0.067 0.000 0.914 475 T HN 0.652 nan 8.240 nan 0.000 0.539 476 Y N 4.320 124.621 120.300 0.001 0.000 2.676 476 Y HA 0.251 4.801 4.550 0.000 0.000 0.338 476 Y C 0.396 176.301 175.900 0.008 0.000 1.057 476 Y CA -0.825 57.270 58.100 -0.008 0.000 1.314 476 Y CB -0.255 38.192 38.460 -0.022 0.000 1.164 476 Y HN 0.706 nan 8.280 nan 0.000 0.509 477 K N 4.420 124.773 120.400 -0.078 0.000 4.361 477 K HA -0.237 4.083 4.320 0.000 0.000 0.294 477 K C 1.016 177.640 176.600 0.042 0.000 0.970 477 K CA 0.645 56.883 56.287 -0.082 0.000 0.913 477 K CB -1.691 30.668 32.500 -0.235 0.000 1.583 477 K HN 1.156 nan 8.250 nan 0.000 0.438 478 G N 0.777 109.619 108.800 0.070 0.000 2.382 478 G HA2 -0.392 3.568 3.960 0.000 0.000 0.259 478 G HA3 -0.392 3.568 3.960 0.000 0.000 0.259 478 G C 0.007 174.964 174.900 0.094 0.000 1.009 478 G CA 0.888 46.041 45.100 0.088 0.000 0.625 478 G HN 0.608 nan 8.290 nan 0.000 0.541 479 E N 0.968 121.240 120.200 0.121 0.000 1.932 479 E HA 0.390 4.740 4.350 0.000 0.000 0.275 479 E C 0.361 177.026 176.600 0.107 0.000 1.159 479 E CA -0.497 55.976 56.400 0.121 0.000 0.905 479 E CB 1.160 30.962 29.700 0.169 0.000 1.059 479 E HN 0.169 nan 8.360 nan 0.000 0.400 480 V N 4.877 124.838 119.914 0.079 0.000 2.399 480 V HA -0.035 4.085 4.120 0.000 0.000 0.245 480 V C 0.223 176.346 176.094 0.049 0.000 1.089 480 V CA 0.344 62.682 62.300 0.064 0.000 1.196 480 V CB -0.323 31.535 31.823 0.057 0.000 1.221 480 V HN 0.333 nan 8.190 nan 0.000 0.482 481 V N 3.738 123.683 119.914 0.051 0.000 2.715 481 V HA 0.397 4.517 4.120 0.000 0.000 0.310 481 V C 0.835 176.943 176.094 0.024 0.000 1.054 481 V CA -0.581 61.733 62.300 0.025 0.000 0.928 481 V CB 2.309 34.131 31.823 -0.003 0.000 1.007 481 V HN 0.743 nan 8.190 nan 0.000 0.437 482 D N 3.968 124.375 120.400 0.011 0.000 2.348 482 D HA 0.154 4.794 4.640 0.000 0.000 0.248 482 D C 0.234 176.543 176.300 0.015 0.000 1.142 482 D CA 0.599 54.609 54.000 0.017 0.000 0.904 482 D CB 0.460 41.268 40.800 0.013 0.000 0.901 482 D HN 0.557 nan 8.370 nan 0.000 0.523 483 A N 0.811 123.629 122.820 -0.003 0.000 2.356 483 A HA 0.548 4.868 4.320 0.000 0.000 0.310 483 A C -0.702 176.864 177.584 -0.031 0.000 1.075 483 A CA -0.573 51.445 52.037 -0.032 0.000 0.746 483 A CB 1.555 20.492 19.000 -0.105 0.000 1.221 483 A HN -0.007 nan 8.150 nan 0.000 0.443 484 I N 3.755 124.311 120.570 -0.024 0.000 2.411 484 I HA 0.317 4.487 4.170 0.000 0.000 0.284 484 I C -0.108 175.905 176.117 -0.173 0.000 1.012 484 I CA -0.712 60.520 61.300 -0.112 0.000 1.119 484 I CB 1.175 39.015 38.000 -0.267 0.000 1.261 484 I HN 0.458 nan 8.210 nan 0.000 0.448 485 V N 6.118 125.955 119.914 -0.128 0.000 2.250 485 V HA 0.424 4.545 4.120 0.000 0.000 0.268 485 V C -2.187 173.909 176.094 0.004 0.000 1.043 485 V CA -1.608 60.637 62.300 -0.091 0.000 0.814 485 V CB 1.084 32.819 31.823 -0.148 0.000 1.072 485 V HN 0.327 nan 8.190 nan 0.000 0.451 486 P HA -0.144 nan 4.420 nan 0.000 0.213 486 P C 1.943 179.254 177.300 0.019 0.000 1.170 486 P CA 2.790 65.860 63.100 -0.050 0.000 0.898 486 P CB 0.224 31.909 31.700 -0.025 0.000 0.787 487 A N -0.687 122.146 122.820 0.022 0.000 2.032 487 A HA -0.208 4.112 4.320 0.000 0.000 0.221 487 A C 2.088 179.695 177.584 0.038 0.000 1.165 487 A CA 2.560 54.611 52.037 0.023 0.000 0.645 487 A CB -1.927 17.082 19.000 0.015 0.000 0.807 487 A HN 0.387 nan 8.150 nan 0.000 0.453 488 T N -3.101 111.495 114.554 0.070 0.000 3.067 488 T HA 0.053 4.403 4.350 0.000 0.000 0.261 488 T C 1.554 176.340 174.700 0.143 0.000 1.110 488 T CA 0.910 63.075 62.100 0.108 0.000 1.113 488 T CB -0.382 68.571 68.868 0.142 0.000 0.917 488 T HN 0.101 nan 8.240 nan 0.000 0.499 489 V N 0.893 120.887 119.914 0.134 0.000 2.490 489 V HA -0.017 4.103 4.120 0.000 0.000 0.250 489 V C 1.584 177.669 176.094 -0.014 0.000 1.061 489 V CA 0.741 63.044 62.300 0.005 0.000 1.064 489 V CB -1.072 30.727 31.823 -0.041 0.000 0.670 489 V HN 0.496 nan 8.190 nan 0.000 0.461 490 M N 0.666 120.272 119.600 0.009 0.000 2.240 490 M HA 0.260 4.740 4.480 0.000 0.000 0.346 490 M C 1.031 177.332 176.300 0.002 0.000 1.236 490 M CA 0.806 56.108 55.300 0.005 0.000 0.986 490 M CB -0.500 32.105 32.600 0.007 0.000 1.786 490 M HN 0.516 nan 8.290 nan 0.000 0.457 491 A N 3.729 126.549 122.820 -0.001 0.000 2.799 491 A HA -0.238 4.082 4.320 0.000 0.000 0.274 491 A C 0.542 178.122 177.584 -0.006 0.000 1.393 491 A CA 1.647 53.683 52.037 -0.001 0.000 0.909 491 A CB -2.418 16.583 19.000 0.002 0.000 1.012 491 A HN 0.910 nan 8.150 nan 0.000 0.653 492 N N -0.347 118.342 118.700 -0.017 0.000 2.351 492 N HA 0.130 4.870 4.740 0.000 0.000 0.254 492 N C -0.616 174.866 175.510 -0.047 0.000 1.241 492 N CA 0.075 53.108 53.050 -0.029 0.000 0.883 492 N CB 0.646 39.117 38.487 -0.027 0.000 1.202 492 N HN 0.625 nan 8.380 nan 0.000 0.512 493 Q N 0.771 120.551 119.800 -0.033 0.000 2.263 493 Q HA 0.193 4.533 4.340 0.000 0.000 0.262 493 Q C -0.204 175.789 176.000 -0.012 0.000 0.984 493 Q CA -0.309 55.476 55.803 -0.029 0.000 0.813 493 Q CB 2.119 30.834 28.738 -0.037 0.000 1.299 493 Q HN 0.197 nan 8.270 nan 0.000 0.428 494 T N -1.778 112.770 114.554 -0.009 0.000 2.874 494 T HA 0.339 4.689 4.350 0.000 0.000 0.281 494 T C 1.210 175.912 174.700 0.004 0.000 0.994 494 T CA -0.306 61.792 62.100 -0.003 0.000 1.015 494 T CB 1.084 69.949 68.868 -0.005 0.000 1.028 494 T HN 0.329 nan 8.240 nan 0.000 0.523 495 S N 0.379 116.082 115.700 0.006 0.000 2.370 495 S HA -0.127 4.343 4.470 0.000 0.000 0.226 495 S C 1.985 176.597 174.600 0.020 0.000 1.033 495 S CA 0.908 59.115 58.200 0.012 0.000 1.011 495 S CB -0.475 62.730 63.200 0.008 0.000 0.852 495 S HN 0.795 nan 8.310 nan 0.000 0.457 496 E N 1.180 121.389 120.200 0.015 0.000 2.097 496 E HA -0.203 4.147 4.350 0.000 0.000 0.196 496 E C 1.981 178.601 176.600 0.033 0.000 1.000 496 E CA 1.266 57.678 56.400 0.021 0.000 0.804 496 E CB -0.156 29.548 29.700 0.007 0.000 0.740 496 E HN 0.618 nan 8.360 nan 0.000 0.454 497 E N -0.404 119.810 120.200 0.023 0.000 2.047 497 E HA -0.130 4.220 4.350 0.000 0.000 0.191 497 E C 2.261 178.895 176.600 0.057 0.000 0.987 497 E CA 1.224 57.641 56.400 0.027 0.000 0.799 497 E CB 0.083 29.785 29.700 0.002 0.000 0.752 497 E HN 0.062 nan 8.360 nan 0.000 0.449 498 V N 1.665 121.606 119.914 0.044 0.000 2.252 498 V HA -0.338 3.782 4.120 0.000 0.000 0.249 498 V C 2.407 178.562 176.094 0.102 0.000 1.056 498 V CA 2.036 64.370 62.300 0.057 0.000 1.022 498 V CB -1.020 30.825 31.823 0.036 0.000 0.641 498 V HN 0.339 nan 8.190 nan 0.000 0.445 499 A N 1.019 123.895 122.820 0.094 0.000 1.917 499 A HA -0.268 4.052 4.320 0.000 0.000 0.219 499 A C 2.575 180.318 177.584 0.264 0.000 1.182 499 A CA 2.838 54.950 52.037 0.126 0.000 0.633 499 A CB -0.961 18.086 19.000 0.080 0.000 0.819 499 A HN 0.750 nan 8.150 nan 0.000 0.448 500 S N 0.513 116.362 115.700 0.248 0.000 2.368 500 S HA 0.181 4.651 4.470 0.000 0.000 0.225 500 S C 1.303 176.186 174.600 0.472 0.000 1.030 500 S CA 0.643 59.034 58.200 0.319 0.000 0.999 500 S CB -1.189 62.070 63.200 0.099 0.000 0.844 500 S HN 1.337 nan 8.310 nan 0.000 0.459 501 A N 2.187 125.206 122.820 0.332 0.000 2.609 501 A HA 0.324 4.644 4.320 0.000 0.000 0.232 501 A C 0.464 178.232 177.584 0.306 0.000 1.041 501 A CA -0.118 52.094 52.037 0.293 0.000 0.753 501 A CB -0.507 18.585 19.000 0.153 0.000 0.966 501 A HN 0.607 nan 8.150 nan 0.000 0.510 502 L N 1.862 123.149 121.223 0.107 0.000 2.483 502 L HA 0.088 4.428 4.340 0.000 0.000 0.276 502 L C 1.951 178.869 176.870 0.079 0.000 1.213 502 L CA 0.219 55.027 54.840 -0.053 0.000 0.843 502 L CB 0.193 42.092 42.059 -0.267 0.000 1.107 502 L HN 0.951 nan 8.230 nan 0.000 0.487 503 A N 2.610 125.495 122.820 0.108 0.000 1.971 503 A HA -0.258 4.062 4.320 0.000 0.000 0.222 503 A C 1.803 179.415 177.584 0.046 0.000 1.182 503 A CA 2.186 54.269 52.037 0.076 0.000 0.649 503 A CB -0.675 18.360 19.000 0.058 0.000 0.818 503 A HN 0.937 nan 8.150 nan 0.000 0.458 504 N N 0.551 119.265 118.700 0.023 0.000 2.535 504 N HA -0.059 4.681 4.740 0.000 0.000 0.203 504 N C -0.976 174.560 175.510 0.043 0.000 1.301 504 N CA 0.358 53.425 53.050 0.029 0.000 0.859 504 N CB -0.323 38.166 38.487 0.003 0.000 1.055 504 N HN 0.453 nan 8.380 nan 0.000 0.457 505 D N -0.475 119.952 120.400 0.045 0.000 2.502 505 D HA 0.256 4.896 4.640 0.000 0.000 0.249 505 D C 0.856 177.169 176.300 0.023 0.000 1.092 505 D CA -0.295 53.727 54.000 0.035 0.000 0.839 505 D CB 2.156 42.971 40.800 0.025 0.000 1.264 505 D HN 0.112 nan 8.370 nan 0.000 0.511 506 A N 4.871 127.695 122.820 0.007 0.000 1.941 506 A HA -0.315 4.005 4.320 0.000 0.000 0.233 506 A C 2.183 179.738 177.584 -0.048 0.000 1.649 506 A CA 2.474 54.484 52.037 -0.043 0.000 0.726 506 A CB -1.026 17.947 19.000 -0.045 0.000 0.843 506 A HN 0.789 nan 8.150 nan 0.000 0.511 507 I N -0.118 120.425 120.570 -0.046 0.000 2.103 507 I HA -0.328 3.842 4.170 0.000 0.000 0.241 507 I C 2.425 178.551 176.117 0.015 0.000 1.036 507 I CA 2.934 64.223 61.300 -0.018 0.000 1.300 507 I CB -2.322 35.668 38.000 -0.016 0.000 1.010 507 I HN 0.571 nan 8.210 nan 0.000 0.406 508 V N -0.395 119.534 119.914 0.025 0.000 2.667 508 V HA -0.100 4.020 4.120 0.000 0.000 0.252 508 V C 2.653 178.752 176.094 0.008 0.000 1.065 508 V CA 1.142 63.456 62.300 0.023 0.000 1.083 508 V CB -1.092 30.747 31.823 0.026 0.000 0.692 508 V HN 0.430 nan 8.190 nan 0.000 0.468 509 L N 0.199 121.452 121.223 0.050 0.000 2.056 509 L HA -0.081 4.259 4.340 0.000 0.000 0.207 509 L C 2.680 179.569 176.870 0.032 0.000 1.078 509 L CA 1.488 56.381 54.840 0.089 0.000 0.749 509 L CB -0.814 41.443 42.059 0.329 0.000 0.901 509 L HN 0.244 nan 8.230 nan 0.000 0.433 510 V N -1.273 118.756 119.914 0.192 0.000 2.261 510 V HA -0.283 3.837 4.120 0.000 0.000 0.246 510 V C 2.670 178.837 176.094 0.121 0.000 1.047 510 V CA 2.023 64.472 62.300 0.249 0.000 1.015 510 V CB -0.624 31.277 31.823 0.131 0.000 0.642 510 V HN 0.409 nan 8.190 nan 0.000 0.446 511 S N 0.377 116.115 115.700 0.063 0.000 2.370 511 S HA -0.261 4.209 4.470 0.000 0.000 0.226 511 S C 1.905 176.510 174.600 0.009 0.000 1.033 511 S CA 2.163 60.400 58.200 0.061 0.000 1.011 511 S CB -0.535 62.691 63.200 0.044 0.000 0.852 511 S HN 0.674 nan 8.310 nan 0.000 0.457 512 N N 0.601 119.240 118.700 -0.103 0.000 2.104 512 N HA -0.090 4.650 4.740 0.000 0.000 0.190 512 N C 1.440 176.868 175.510 -0.137 0.000 1.024 512 N CA 1.836 54.789 53.050 -0.161 0.000 0.853 512 N CB -0.575 37.755 38.487 -0.262 0.000 1.008 512 N HN 0.653 nan 8.380 nan 0.000 0.424 513 H N -0.101 119.028 119.070 0.099 0.000 2.321 513 H HA 0.017 4.573 4.556 0.000 0.000 0.300 513 H C 1.905 177.297 175.328 0.106 0.000 1.087 513 H CA 0.943 57.038 56.048 0.078 0.000 1.319 513 H CB -0.166 29.646 29.762 0.084 0.000 1.379 513 H HN 0.082 nan 8.280 nan 0.000 0.501 514 L N 0.561 121.917 121.223 0.223 0.000 2.129 514 L HA -0.243 4.097 4.340 0.000 0.000 0.212 514 L C 1.752 178.784 176.870 0.269 0.000 1.087 514 L CA 1.229 56.228 54.840 0.265 0.000 0.757 514 L CB -0.344 41.900 42.059 0.308 0.000 0.896 514 L HN 0.357 nan 8.230 nan 0.000 0.434 515 N N -0.213 118.574 118.700 0.145 0.000 2.188 515 N HA -0.136 4.604 4.740 0.000 0.000 0.184 515 N C 1.667 177.226 175.510 0.081 0.000 1.018 515 N CA 0.922 54.019 53.050 0.079 0.000 0.858 515 N CB -0.012 38.492 38.487 0.028 0.000 0.989 515 N HN 0.295 nan 8.380 nan 0.000 0.426 516 K N 0.262 120.720 120.400 0.097 0.000 2.097 516 K HA -0.090 4.230 4.320 0.000 0.000 0.206 516 K C 1.797 178.457 176.600 0.100 0.000 1.049 516 K CA 0.713 57.053 56.287 0.089 0.000 0.933 516 K CB -0.277 32.279 32.500 0.093 0.000 0.717 516 K HN 0.094 nan 8.250 nan 0.000 0.442 517 L N 1.545 122.850 121.223 0.138 0.000 1.989 517 L HA -0.200 4.140 4.340 0.000 0.000 0.211 517 L C 2.344 179.322 176.870 0.180 0.000 1.071 517 L CA 1.987 56.918 54.840 0.152 0.000 0.749 517 L CB -0.731 41.437 42.059 0.182 0.000 0.890 517 L HN 0.169 nan 8.230 nan 0.000 0.431 518 A N -0.504 122.452 122.820 0.225 0.000 1.917 518 A HA -0.354 3.966 4.320 0.000 0.000 0.219 518 A C 2.190 179.812 177.584 0.063 0.000 1.182 518 A CA 2.334 54.452 52.037 0.135 0.000 0.633 518 A CB -1.258 17.734 19.000 -0.014 0.000 0.819 518 A HN 0.689 nan 8.150 nan 0.000 0.448 519 N N -0.568 118.163 118.700 0.051 0.000 2.069 519 N HA -0.150 4.590 4.740 0.000 0.000 0.191 519 N C 1.510 177.043 175.510 0.039 0.000 1.031 519 N CA 1.799 54.869 53.050 0.034 0.000 0.852 519 N CB -0.241 38.265 38.487 0.032 0.000 1.018 519 N HN 0.204 nan 8.380 nan 0.000 0.423 520 V N -0.132 119.814 119.914 0.053 0.000 2.261 520 V HA -0.228 3.892 4.120 0.000 0.000 0.246 520 V C 2.188 178.313 176.094 0.052 0.000 1.047 520 V CA 1.633 63.963 62.300 0.050 0.000 1.015 520 V CB -0.552 31.305 31.823 0.056 0.000 0.642 520 V HN 0.221 nan 8.190 nan 0.000 0.446 521 V N 0.986 120.943 119.914 0.071 0.000 2.295 521 V HA -0.165 3.955 4.120 0.000 0.000 0.246 521 V C 2.636 178.764 176.094 0.057 0.000 1.049 521 V CA 2.172 64.517 62.300 0.076 0.000 1.024 521 V CB -1.695 30.196 31.823 0.113 0.000 0.648 521 V HN 0.578 nan 8.190 nan 0.000 0.447 522 G N -0.733 108.094 108.800 0.043 0.000 2.408 522 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 522 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 522 G C 1.345 176.259 174.900 0.023 0.000 1.150 522 G CA 0.889 46.006 45.100 0.028 0.000 0.776 522 G HN 0.496 nan 8.290 nan 0.000 0.542 523 D N 0.326 120.740 120.400 0.024 0.000 2.194 523 D HA 0.081 4.721 4.640 0.000 0.000 0.204 523 D C 2.611 178.924 176.300 0.022 0.000 0.964 523 D CA 1.042 55.054 54.000 0.020 0.000 0.846 523 D CB 0.267 41.077 40.800 0.018 0.000 0.962 523 D HN 0.348 nan 8.370 nan 0.000 0.490 524 A N -0.044 122.792 122.820 0.028 0.000 1.963 524 A HA 0.171 4.491 4.320 0.000 0.000 0.207 524 A C 0.934 178.538 177.584 0.033 0.000 1.243 524 A CA 0.104 52.158 52.037 0.029 0.000 0.728 524 A CB 0.417 19.434 19.000 0.029 0.000 0.895 524 A HN 0.017 nan 8.150 nan 0.000 0.467 525 I N 1.284 121.878 120.570 0.041 0.000 2.392 525 I HA 0.314 4.484 4.170 0.000 0.000 0.295 525 I C -2.207 173.936 176.117 0.044 0.000 0.985 525 I CA -2.282 59.046 61.300 0.047 0.000 1.221 525 I CB 1.803 39.839 38.000 0.060 0.000 1.366 525 I HN 0.041 nan 8.210 nan 0.000 0.467 526 P HA 0.049 nan 4.420 nan 0.000 0.225 526 P C 0.345 177.671 177.300 0.043 0.000 1.813 526 P CA 0.003 63.125 63.100 0.036 0.000 1.013 526 P CB -0.058 31.659 31.700 0.028 0.000 1.961 527 V N -1.108 118.834 119.914 0.047 0.000 3.252 527 V HA 0.488 4.608 4.120 0.000 0.000 0.350 527 V C 0.963 177.078 176.094 0.034 0.000 1.329 527 V CA -0.237 62.093 62.300 0.050 0.000 1.258 527 V CB -0.694 31.168 31.823 0.066 0.000 1.208 527 V HN 0.235 nan 8.190 nan 0.000 0.462 528 A N 0.652 123.488 122.820 0.027 0.000 2.790 528 A HA 0.454 4.774 4.320 0.000 0.000 0.225 528 A C 1.305 178.899 177.584 0.016 0.000 1.904 528 A CA 0.364 52.412 52.037 0.018 0.000 0.878 528 A CB -0.581 18.427 19.000 0.015 0.000 1.774 528 A HN 0.492 nan 8.150 nan 0.000 0.714 529 S N 1.268 116.974 115.700 0.011 0.000 3.612 529 S HA 0.188 4.658 4.470 0.000 0.000 0.214 529 S C 0.428 175.036 174.600 0.012 0.000 1.178 529 S CA 0.849 59.055 58.200 0.010 0.000 1.121 529 S CB -1.081 62.122 63.200 0.006 0.000 1.344 529 S HN 0.721 nan 8.310 nan 0.000 0.447 530 R N -2.226 118.285 120.500 0.018 0.000 2.830 530 R HA -0.113 4.228 4.340 0.000 0.000 0.497 530 R C -0.527 175.786 176.300 0.022 0.000 0.768 530 R CA 0.451 56.563 56.100 0.021 0.000 1.182 530 R CB -2.997 27.313 30.300 0.016 0.000 1.987 530 R HN 0.447 nan 8.270 nan 0.000 0.423 531 T N -0.513 114.055 114.554 0.023 0.000 2.978 531 T HA 0.247 4.597 4.350 0.000 0.000 0.278 531 T C -0.087 174.633 174.700 0.033 0.000 0.945 531 T CA -0.219 61.893 62.100 0.020 0.000 1.070 531 T CB 1.163 70.040 68.868 0.015 0.000 0.948 531 T HN 0.178 nan 8.240 nan 0.000 0.617 532 D N 2.876 123.292 120.400 0.026 0.000 2.338 532 D HA 0.225 4.865 4.640 0.000 0.000 0.255 532 D C -0.531 175.764 176.300 -0.008 0.000 1.237 532 D CA -0.152 53.871 54.000 0.039 0.000 0.883 532 D CB 0.657 41.465 40.800 0.014 0.000 1.087 532 D HN 0.660 nan 8.370 nan 0.000 0.485 533 D N 0.856 121.283 120.400 0.045 0.000 2.217 533 D HA 0.145 4.785 4.640 0.000 0.000 0.243 533 D C 1.299 177.653 176.300 0.090 0.000 1.054 533 D CA -0.485 53.534 54.000 0.032 0.000 0.838 533 D CB 1.263 42.084 40.800 0.034 0.000 1.162 533 D HN 0.189 nan 8.370 nan 0.000 0.472 534 S N 2.967 118.671 115.700 0.006 0.000 2.432 534 S HA -0.377 4.093 4.470 0.000 0.000 0.243 534 S C 2.113 176.850 174.600 0.227 0.000 1.069 534 S CA 1.394 59.658 58.200 0.106 0.000 1.047 534 S CB -0.747 62.470 63.200 0.029 0.000 0.854 534 S HN 0.585 nan 8.310 nan 0.000 0.474 535 A N 2.158 125.070 122.820 0.153 0.000 1.971 535 A HA -0.168 4.152 4.320 0.000 0.000 0.222 535 A C 2.537 180.229 177.584 0.181 0.000 1.182 535 A CA 2.569 54.694 52.037 0.145 0.000 0.649 535 A CB -2.023 17.038 19.000 0.102 0.000 0.818 535 A HN 1.059 nan 8.150 nan 0.000 0.458 536 T N -1.453 113.257 114.554 0.260 0.000 3.163 536 T HA -0.001 4.349 4.350 0.000 0.000 0.260 536 T C 1.490 176.280 174.700 0.150 0.000 1.156 536 T CA 1.189 63.431 62.100 0.237 0.000 1.072 536 T CB -0.740 68.316 68.868 0.313 0.000 0.937 536 T HN 0.601 nan 8.240 nan 0.000 0.528 537 S N 1.435 117.291 115.700 0.260 0.000 2.469 537 S HA 0.086 4.556 4.470 0.000 0.000 0.238 537 S C 2.357 176.894 174.600 -0.106 0.000 0.998 537 S CA 0.512 58.765 58.200 0.088 0.000 0.957 537 S CB -0.646 62.759 63.200 0.341 0.000 0.764 537 S HN 0.739 nan 8.310 nan 0.000 0.514 538 A N 3.277 126.072 122.820 -0.041 0.000 1.858 538 A HA -0.014 4.306 4.320 0.000 0.000 0.216 538 A C 2.277 179.800 177.584 -0.103 0.000 1.190 538 A CA 1.559 53.566 52.037 -0.051 0.000 0.617 538 A CB -0.936 18.054 19.000 -0.017 0.000 0.827 538 A HN 0.716 nan 8.150 nan 0.000 0.443 539 I N -1.833 118.661 120.570 -0.126 0.000 2.315 539 I HA -0.129 4.042 4.170 0.000 0.000 0.248 539 I C 1.900 177.876 176.117 -0.235 0.000 1.117 539 I CA 1.612 62.820 61.300 -0.154 0.000 1.404 539 I CB -0.808 37.121 38.000 -0.118 0.000 1.071 539 I HN 0.078 nan 8.210 nan 0.000 0.419 540 V N 1.527 121.206 119.914 -0.393 0.000 2.453 540 V HA -0.175 3.946 4.120 0.000 0.000 0.247 540 V C 2.737 178.615 176.094 -0.360 0.000 1.048 540 V CA 2.064 64.041 62.300 -0.539 0.000 1.049 540 V CB -0.811 30.309 31.823 -1.172 0.000 0.672 540 V HN 0.447 nan 8.190 nan 0.000 0.457 541 S N -0.025 115.523 115.700 -0.253 0.000 2.382 541 S HA -0.210 4.260 4.470 0.000 0.000 0.228 541 S C 2.134 176.682 174.600 -0.087 0.000 1.027 541 S CA 1.477 59.607 58.200 -0.116 0.000 0.991 541 S CB -0.343 62.819 63.200 -0.063 0.000 0.823 541 S HN 0.414 nan 8.310 nan 0.000 0.469 542 R N 1.401 121.843 120.500 -0.096 0.000 2.075 542 R HA 0.151 4.491 4.340 0.000 0.000 0.232 542 R C 2.082 178.339 176.300 -0.073 0.000 1.126 542 R CA 1.122 57.179 56.100 -0.072 0.000 0.963 542 R CB -0.921 29.337 30.300 -0.070 0.000 0.858 542 R HN 0.384 nan 8.270 nan 0.000 0.435 543 L N -0.483 120.675 121.223 -0.109 0.000 2.046 543 L HA -0.168 4.172 4.340 0.000 0.000 0.208 543 L C 2.333 179.162 176.870 -0.067 0.000 1.077 543 L CA 1.508 56.290 54.840 -0.097 0.000 0.747 543 L CB -0.537 41.429 42.059 -0.155 0.000 0.896 543 L HN 0.296 nan 8.230 nan 0.000 0.432 544 A N -0.562 122.188 122.820 -0.117 0.000 1.902 544 A HA -0.156 4.164 4.320 0.000 0.000 0.217 544 A C 2.192 179.766 177.584 -0.017 0.000 1.181 544 A CA 1.961 53.942 52.037 -0.093 0.000 0.623 544 A CB -0.724 18.184 19.000 -0.153 0.000 0.818 544 A HN 0.264 nan 8.150 nan 0.000 0.443 545 V N -0.450 119.453 119.914 -0.019 0.000 2.591 545 V HA -0.239 3.881 4.120 0.000 0.000 0.249 545 V C 2.414 178.497 176.094 -0.018 0.000 1.053 545 V CA 1.766 64.059 62.300 -0.011 0.000 1.068 545 V CB -1.067 30.752 31.823 -0.006 0.000 0.689 545 V HN 0.600 nan 8.190 nan 0.000 0.462 546 Q N -0.197 119.596 119.800 -0.012 0.000 2.170 546 Q HA -0.233 4.107 4.340 0.000 0.000 0.203 546 Q C 1.944 177.944 176.000 -0.000 0.000 0.976 546 Q CA 1.582 57.382 55.803 -0.006 0.000 0.858 546 Q CB -0.292 28.445 28.738 -0.002 0.000 0.907 546 Q HN 0.688 nan 8.270 nan 0.000 0.433 547 H N 0.878 119.920 119.070 -0.047 0.000 2.611 547 H HA 0.091 4.647 4.556 0.000 0.000 0.283 547 H C -0.182 175.130 175.328 -0.027 0.000 1.075 547 H CA 0.430 56.453 56.048 -0.041 0.000 1.184 547 H CB -0.267 29.461 29.762 -0.057 0.000 1.294 547 H HN -0.162 nan 8.280 nan 0.000 0.619 548 K N 0.875 121.129 120.400 -0.242 0.000 2.502 548 K HA 0.129 4.449 4.320 0.000 0.000 0.244 548 K C -0.772 175.714 176.600 -0.190 0.000 1.249 548 K CA -0.266 55.888 56.287 -0.222 0.000 1.193 548 K CB -0.863 31.573 32.500 -0.106 0.000 1.674 548 K HN 0.153 nan 8.250 nan 0.000 0.302 549 L N 1.721 122.768 121.223 -0.293 0.000 2.384 549 L HA 0.178 4.518 4.340 0.000 0.000 0.258 549 L C 0.112 176.911 176.870 -0.119 0.000 1.266 549 L CA 0.229 54.965 54.840 -0.174 0.000 1.162 549 L CB 0.219 42.192 42.059 -0.142 0.000 1.375 549 L HN 0.273 nan 8.230 nan 0.000 0.420 550 S N 1.112 116.762 115.700 -0.084 0.000 2.489 550 S HA 0.670 5.140 4.470 0.000 0.000 0.291 550 S C 0.047 174.626 174.600 -0.035 0.000 1.151 550 S CA -0.585 57.583 58.200 -0.055 0.000 1.082 550 S CB 1.144 64.318 63.200 -0.043 0.000 1.019 550 S HN 0.550 nan 8.310 nan 0.000 0.492 551 Q N 1.349 121.135 119.800 -0.024 0.000 3.182 551 Q HA 0.556 4.896 4.340 0.000 0.000 0.212 551 Q C -0.565 175.428 176.000 -0.012 0.000 1.099 551 Q CA -0.682 55.112 55.803 -0.016 0.000 0.680 551 Q CB 0.027 28.759 28.738 -0.011 0.000 3.554 551 Q HN 0.619 nan 8.270 nan 0.000 0.361 552 V N -1.152 118.757 119.914 -0.008 0.000 2.439 552 V HA 0.844 4.964 4.120 0.000 0.000 0.282 552 V C 0.602 176.694 176.094 -0.003 0.000 1.039 552 V CA 0.420 62.717 62.300 -0.005 0.000 0.913 552 V CB 0.165 31.985 31.823 -0.004 0.000 0.983 552 V HN 0.915 nan 8.190 nan 0.000 0.460 553 G N 3.411 112.209 108.800 -0.002 0.000 2.652 553 G HA2 -0.293 3.667 3.960 0.000 0.000 0.278 553 G HA3 -0.293 3.667 3.960 0.000 0.000 0.278 553 G C 0.366 175.266 174.900 0.001 0.000 1.263 553 G CA 0.560 45.660 45.100 0.000 0.000 0.966 553 G HN 1.348 nan 8.290 nan 0.000 0.544 554 Q N 2.280 122.082 119.800 0.002 0.000 2.452 554 Q HA 0.550 4.890 4.340 0.000 0.000 0.230 554 Q C 0.777 176.778 176.000 0.003 0.000 1.180 554 Q CA 0.466 56.272 55.803 0.005 0.000 0.914 554 Q CB -0.024 28.719 28.738 0.007 0.000 1.408 554 Q HN 1.138 nan 8.270 nan 0.000 0.520 555 A N 2.988 125.807 122.820 -0.002 0.000 2.346 555 A HA 0.080 4.400 4.320 0.000 0.000 0.255 555 A C 0.323 177.907 177.584 0.001 0.000 1.113 555 A CA -0.017 52.014 52.037 -0.009 0.000 0.798 555 A CB 0.304 19.291 19.000 -0.021 0.000 1.073 555 A HN 0.775 nan 8.150 nan 0.000 0.502 556 S N 1.412 117.109 115.700 -0.005 0.000 3.106 556 S HA 0.122 4.592 4.470 0.000 0.000 0.363 556 S C -1.807 172.824 174.600 0.051 0.000 1.191 556 S CA -0.453 57.764 58.200 0.028 0.000 1.191 556 S CB -0.339 62.880 63.200 0.031 0.000 0.884 556 S HN 0.478 nan 8.310 nan 0.000 0.526 557 P HA 0.201 nan 4.420 nan 0.000 0.225 557 P C -0.915 176.428 177.300 0.072 0.000 1.830 557 P CA -0.501 62.633 63.100 0.056 0.000 1.051 557 P CB -0.192 31.531 31.700 0.038 0.000 1.929 558 T N 3.017 117.635 114.554 0.107 0.000 2.794 558 T HA 0.282 4.632 4.350 0.000 0.000 0.304 558 T C -2.274 172.480 174.700 0.090 0.000 0.973 558 T CA -1.611 60.559 62.100 0.117 0.000 0.972 558 T CB -0.165 68.846 68.868 0.238 0.000 0.952 558 T HN 0.158 nan 8.240 nan 0.000 0.509 559 P HA 0.129 nan 4.420 nan 0.000 0.258 559 P C -2.296 175.061 177.300 0.096 0.000 1.187 559 P CA -0.987 62.157 63.100 0.073 0.000 0.767 559 P CB -0.574 31.160 31.700 0.058 0.000 0.770 560 P HA -0.175 nan 4.420 nan 0.000 0.265 560 P C 0.255 177.651 177.300 0.159 0.000 1.151 560 P CA 0.682 63.913 63.100 0.220 0.000 0.755 560 P CB 0.361 32.281 31.700 0.367 0.000 0.756 561 D N 1.393 121.714 120.400 -0.133 0.000 2.347 561 D HA -0.232 4.408 4.640 0.000 0.000 0.208 561 D C 1.247 177.275 176.300 -0.454 0.000 0.994 561 D CA 1.596 55.333 54.000 -0.439 0.000 0.924 561 D CB -0.595 39.859 40.800 -0.576 0.000 0.892 561 D HN 0.552 nan 8.370 nan 0.000 0.471 562 Y N -0.109 120.304 120.300 0.188 0.000 2.242 562 Y HA -0.027 4.523 4.550 0.000 0.000 0.291 562 Y C -0.403 175.708 175.900 0.350 0.000 1.137 562 Y CA 0.504 58.810 58.100 0.345 0.000 1.181 562 Y CB -1.674 36.951 38.460 0.276 0.000 0.989 562 Y HN 0.228 nan 8.280 nan 0.000 0.527 563 P HA -0.049 nan 4.420 nan 0.000 0.212 563 P C 1.661 179.055 177.300 0.157 0.000 1.171 563 P CA 1.124 64.333 63.100 0.182 0.000 0.892 563 P CB -0.024 31.742 31.700 0.110 0.000 0.769 564 L N -0.898 120.370 121.223 0.076 0.000 1.980 564 L HA -0.249 4.091 4.340 0.000 0.000 0.232 564 L C 2.684 179.546 176.870 -0.015 0.000 1.092 564 L CA 1.766 56.613 54.840 0.012 0.000 0.808 564 L CB -1.691 40.349 42.059 -0.030 0.000 0.908 564 L HN -0.093 nan 8.230 nan 0.000 0.442 565 L N -1.733 119.444 121.223 -0.076 0.000 2.141 565 L HA -0.197 4.143 4.340 0.000 0.000 0.209 565 L C 2.275 179.073 176.870 -0.120 0.000 1.094 565 L CA 1.430 56.190 54.840 -0.135 0.000 0.763 565 L CB -0.774 41.156 42.059 -0.215 0.000 0.908 565 L HN 0.378 nan 8.230 nan 0.000 0.437 566 W N 1.205 122.455 121.300 -0.082 0.000 2.335 566 W HA -0.209 4.451 4.660 0.000 0.000 0.311 566 W C 2.702 179.210 176.519 -0.018 0.000 1.213 566 W CA 1.719 59.044 57.345 -0.034 0.000 1.274 566 W CB -0.383 29.075 29.460 -0.005 0.000 1.148 566 W HN 0.151 nan 8.180 nan 0.000 0.498 567 R N -0.479 120.157 120.500 0.226 0.000 2.090 567 R HA -0.105 4.235 4.340 0.000 0.000 0.228 567 R C 2.277 178.620 176.300 0.072 0.000 1.110 567 R CA 1.505 57.694 56.100 0.147 0.000 0.973 567 R CB -0.537 29.824 30.300 0.102 0.000 0.869 567 R HN 0.089 nan 8.270 nan 0.000 0.440 568 R N 0.722 121.238 120.500 0.026 0.000 2.091 568 R HA -0.113 4.227 4.340 0.000 0.000 0.238 568 R C 2.303 178.595 176.300 -0.013 0.000 1.136 568 R CA 1.653 57.749 56.100 -0.007 0.000 0.959 568 R CB -0.453 29.822 30.300 -0.042 0.000 0.856 568 R HN 0.218 nan 8.270 nan 0.000 0.437 569 A N 1.153 123.951 122.820 -0.038 0.000 1.929 569 A HA -0.148 4.172 4.320 0.000 0.000 0.216 569 A C 2.053 179.638 177.584 0.002 0.000 1.176 569 A CA 1.356 53.357 52.037 -0.061 0.000 0.628 569 A CB -0.254 18.641 19.000 -0.174 0.000 0.816 569 A HN 0.153 nan 8.150 nan 0.000 0.444 570 K N 0.245 120.682 120.400 0.063 0.000 2.009 570 K HA -0.143 4.177 4.320 0.000 0.000 0.210 570 K C 2.097 178.738 176.600 0.068 0.000 1.049 570 K CA 1.776 58.120 56.287 0.095 0.000 0.929 570 K CB -0.322 32.262 32.500 0.140 0.000 0.714 570 K HN 0.421 nan 8.250 nan 0.000 0.440 571 R N -0.305 120.228 120.500 0.054 0.000 2.133 571 R HA -0.209 4.131 4.340 0.000 0.000 0.245 571 R C 2.365 178.689 176.300 0.039 0.000 1.137 571 R CA 1.914 58.037 56.100 0.039 0.000 0.947 571 R CB -0.692 29.625 30.300 0.027 0.000 0.865 571 R HN 0.375 nan 8.270 nan 0.000 0.437 572 A N 0.664 123.507 122.820 0.038 0.000 1.930 572 A HA -0.029 4.291 4.320 0.000 0.000 0.217 572 A C 2.338 179.980 177.584 0.097 0.000 1.175 572 A CA 1.399 53.468 52.037 0.053 0.000 0.627 572 A CB -0.594 18.424 19.000 0.031 0.000 0.815 572 A HN 0.433 nan 8.150 nan 0.000 0.443 573 A N -0.571 122.306 122.820 0.095 0.000 1.892 573 A HA -0.186 4.134 4.320 0.000 0.000 0.218 573 A C 2.480 180.155 177.584 0.152 0.000 1.188 573 A CA 2.324 54.452 52.037 0.152 0.000 0.631 573 A CB -1.095 17.974 19.000 0.115 0.000 0.822 573 A HN 0.516 nan 8.150 nan 0.000 0.447 574 S N -1.363 114.387 115.700 0.084 0.000 2.353 574 S HA -0.209 4.261 4.470 0.000 0.000 0.222 574 S C 2.038 176.642 174.600 0.007 0.000 1.035 574 S CA 2.103 60.326 58.200 0.039 0.000 1.025 574 S CB -0.383 62.838 63.200 0.034 0.000 0.902 574 S HN 0.401 nan 8.310 nan 0.000 0.440 575 M N 0.605 120.220 119.600 0.025 0.000 2.082 575 M HA -0.018 4.462 4.480 0.000 0.000 0.258 575 M C 1.734 178.026 176.300 -0.013 0.000 1.069 575 M CA 1.384 56.691 55.300 0.011 0.000 1.102 575 M CB -1.147 31.475 32.600 0.038 0.000 1.336 575 M HN 0.483 nan 8.290 nan 0.000 0.404 576 F N 0.239 120.193 119.950 0.006 0.000 2.091 576 F HA -0.214 4.313 4.527 0.000 0.000 0.299 576 F C 2.091 177.898 175.800 0.011 0.000 1.103 576 F CA 1.546 59.551 58.000 0.009 0.000 1.228 576 F CB -0.742 38.264 39.000 0.010 0.000 0.984 576 F HN -0.044 nan 8.300 nan 0.000 0.477 577 V N 0.525 120.129 119.914 -0.517 0.000 2.287 577 V HA -0.329 3.791 4.120 0.000 0.000 0.248 577 V C 2.681 178.594 176.094 -0.302 0.000 1.053 577 V CA 2.163 64.214 62.300 -0.415 0.000 1.027 577 V CB -1.507 30.239 31.823 -0.129 0.000 0.646 577 V HN 0.572 nan 8.190 nan 0.000 0.447 578 S N -0.193 115.391 115.700 -0.194 0.000 2.400 578 S HA -0.151 4.319 4.470 0.000 0.000 0.232 578 S C 1.037 175.554 174.600 -0.138 0.000 1.025 578 S CA 1.493 59.613 58.200 -0.134 0.000 0.993 578 S CB -0.289 62.864 63.200 -0.079 0.000 0.808 578 S HN 0.615 nan 8.310 nan 0.000 0.478 579 N N 0.626 119.215 118.700 -0.185 0.000 2.629 579 N HA 0.343 5.083 4.740 0.000 0.000 0.277 579 N C -2.896 172.481 175.510 -0.223 0.000 1.188 579 N CA -1.647 51.306 53.050 -0.162 0.000 0.835 579 N CB 1.785 40.224 38.487 -0.080 0.000 1.420 579 N HN -0.174 nan 8.380 nan 0.000 0.542 580 P HA -0.165 nan 4.420 nan 0.000 0.216 580 P C 1.409 178.771 177.300 0.103 0.000 1.150 580 P CA 1.508 64.490 63.100 -0.197 0.000 0.843 580 P CB 0.259 31.903 31.700 -0.092 0.000 0.787 581 S N -0.542 115.183 115.700 0.041 0.000 2.420 581 S HA -0.183 4.287 4.470 0.000 0.000 0.237 581 S C 1.888 176.535 174.600 0.078 0.000 1.023 581 S CA 1.139 59.377 58.200 0.064 0.000 0.991 581 S CB -1.821 61.397 63.200 0.029 0.000 0.792 581 S HN 0.100 nan 8.310 nan 0.000 0.488 582 L N 1.313 122.582 121.223 0.076 0.000 2.197 582 L HA -0.187 4.153 4.340 0.000 0.000 0.215 582 L C 3.052 179.990 176.870 0.114 0.000 1.095 582 L CA 1.136 56.027 54.840 0.085 0.000 0.764 582 L CB -0.890 41.215 42.059 0.075 0.000 0.897 582 L HN 0.513 nan 8.230 nan 0.000 0.436 583 A N -0.141 122.787 122.820 0.180 0.000 2.019 583 A HA -0.115 4.205 4.320 0.000 0.000 0.219 583 A C 2.134 179.758 177.584 0.066 0.000 1.164 583 A CA 1.431 53.549 52.037 0.134 0.000 0.644 583 A CB -0.435 18.652 19.000 0.144 0.000 0.805 583 A HN 0.448 nan 8.150 nan 0.000 0.449 584 L N -1.135 120.128 121.223 0.066 0.000 2.529 584 L HA 0.084 4.424 4.340 0.000 0.000 0.223 584 L C 0.567 177.449 176.870 0.020 0.000 1.113 584 L CA 0.007 54.867 54.840 0.032 0.000 0.861 584 L CB -0.027 42.048 42.059 0.027 0.000 1.012 584 L HN 0.329 nan 8.230 nan 0.000 0.461 585 Q N 0.847 120.665 119.800 0.030 0.000 2.314 585 Q HA 0.224 4.564 4.340 0.000 0.000 0.257 585 Q C -0.216 175.794 176.000 0.016 0.000 0.975 585 Q CA -0.426 55.389 55.803 0.020 0.000 0.933 585 Q CB 2.196 30.947 28.738 0.021 0.000 1.195 585 Q HN -0.067 nan 8.270 nan 0.000 0.426 586 V N 3.276 123.195 119.914 0.007 0.000 2.832 586 V HA -0.080 4.040 4.120 0.000 0.000 0.299 586 V C 1.134 177.232 176.094 0.006 0.000 1.201 586 V CA 2.353 64.656 62.300 0.004 0.000 1.325 586 V CB -0.008 31.814 31.823 -0.001 0.000 0.871 586 V HN 1.086 nan 8.190 nan 0.000 0.509 587 G N 5.481 114.284 108.800 0.005 0.000 2.212 587 G HA2 -0.175 3.785 3.960 0.000 0.000 0.255 587 G HA3 -0.175 3.785 3.960 0.000 0.000 0.255 587 G C -0.310 174.594 174.900 0.007 0.000 1.062 587 G CA 0.021 45.124 45.100 0.004 0.000 0.815 587 G HN 0.654 nan 8.290 nan 0.000 0.497 588 I N 0.125 120.701 120.570 0.011 0.000 2.321 588 I HA 0.227 4.397 4.170 0.000 0.000 0.291 588 I C -0.397 175.726 176.117 0.010 0.000 0.998 588 I CA -2.268 59.042 61.300 0.016 0.000 1.227 588 I CB 1.132 39.150 38.000 0.029 0.000 1.368 588 I HN -0.125 nan 8.210 nan 0.000 0.466 589 P HA -0.242 nan 4.420 nan 0.000 0.212 589 P C 1.505 178.801 177.300 -0.005 0.000 1.128 589 P CA 1.942 65.041 63.100 -0.001 0.000 0.961 589 P CB 0.209 31.906 31.700 -0.005 0.000 0.782 590 V N -5.114 114.796 119.914 -0.008 0.000 3.523 590 V HA 0.136 4.256 4.120 0.000 0.000 0.255 590 V C 2.063 178.146 176.094 -0.018 0.000 1.226 590 V CA 0.554 62.844 62.300 -0.017 0.000 1.092 590 V CB -1.246 30.558 31.823 -0.031 0.000 0.817 590 V HN -0.029 nan 8.190 nan 0.000 0.458 591 L N 2.048 123.267 121.223 -0.006 0.000 2.201 591 L HA -0.080 4.260 4.340 0.000 0.000 0.212 591 L C 2.924 179.787 176.870 -0.013 0.000 1.105 591 L CA 1.849 56.682 54.840 -0.011 0.000 0.775 591 L CB -1.152 40.917 42.059 0.017 0.000 0.913 591 L HN 0.585 nan 8.230 nan 0.000 0.440 592 T N -3.108 111.445 114.554 -0.003 0.000 2.792 592 T HA -0.301 4.049 4.350 0.000 0.000 0.268 592 T C 1.265 175.959 174.700 -0.010 0.000 1.059 592 T CA 0.974 63.072 62.100 -0.003 0.000 1.136 592 T CB -0.361 68.507 68.868 -0.000 0.000 0.846 592 T HN 0.162 nan 8.240 nan 0.000 0.489 593 Q N 2.187 121.977 119.800 -0.017 0.000 2.423 593 Q HA 0.257 4.597 4.340 0.000 0.000 0.235 593 Q C 1.427 177.408 176.000 -0.032 0.000 1.100 593 Q CA 0.188 55.978 55.803 -0.021 0.000 0.908 593 Q CB 1.066 29.792 28.738 -0.021 0.000 1.312 593 Q HN 0.660 nan 8.270 nan 0.000 0.497 594 S N 1.640 117.324 115.700 -0.026 0.000 2.420 594 S HA -0.197 4.273 4.470 0.000 0.000 0.237 594 S C 1.691 176.269 174.600 -0.037 0.000 1.023 594 S CA 1.257 59.439 58.200 -0.030 0.000 0.991 594 S CB -0.327 62.864 63.200 -0.015 0.000 0.792 594 S HN 0.699 nan 8.310 nan 0.000 0.488 595 G N 2.105 110.886 108.800 -0.032 0.000 2.529 595 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 595 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 595 G C 1.501 176.372 174.900 -0.047 0.000 1.177 595 G CA 1.314 46.394 45.100 -0.034 0.000 0.773 595 G HN 0.582 nan 8.290 nan 0.000 0.573 596 M N -0.537 119.029 119.600 -0.056 0.000 2.279 596 M HA 0.057 4.537 4.480 0.000 0.000 0.264 596 M C 2.404 178.646 176.300 -0.098 0.000 1.062 596 M CA 0.698 55.953 55.300 -0.074 0.000 1.099 596 M CB -0.192 32.363 32.600 -0.074 0.000 1.394 596 M HN 0.215 nan 8.290 nan 0.000 0.426 597 L N -0.364 120.796 121.223 -0.103 0.000 2.162 597 L HA -0.010 4.330 4.340 0.000 0.000 0.205 597 L C 2.457 179.262 176.870 -0.108 0.000 1.086 597 L CA 1.447 56.197 54.840 -0.150 0.000 0.778 597 L CB -0.333 41.626 42.059 -0.166 0.000 0.928 597 L HN 0.127 nan 8.230 nan 0.000 0.446 598 S N -0.076 115.585 115.700 -0.066 0.000 2.370 598 S HA -0.216 4.254 4.470 0.000 0.000 0.226 598 S C 2.142 176.718 174.600 -0.039 0.000 1.033 598 S CA 1.164 59.339 58.200 -0.040 0.000 1.011 598 S CB -0.701 62.483 63.200 -0.026 0.000 0.852 598 S HN 0.572 nan 8.310 nan 0.000 0.457 599 A N 1.346 124.138 122.820 -0.046 0.000 1.940 599 A HA -0.032 4.288 4.320 0.000 0.000 0.219 599 A C 2.141 179.700 177.584 -0.041 0.000 1.176 599 A CA 1.250 53.262 52.037 -0.041 0.000 0.631 599 A CB -0.697 18.273 19.000 -0.050 0.000 0.814 599 A HN 0.465 nan 8.150 nan 0.000 0.446 600 L N -0.849 120.337 121.223 -0.062 0.000 2.005 600 L HA -0.138 4.202 4.340 0.000 0.000 0.207 600 L C 2.732 179.580 176.870 -0.037 0.000 1.072 600 L CA 2.038 56.844 54.840 -0.057 0.000 0.744 600 L CB -0.602 41.394 42.059 -0.105 0.000 0.895 600 L HN 0.419 nan 8.230 nan 0.000 0.433 601 T N -0.267 114.256 114.554 -0.051 0.000 2.597 601 T HA -0.249 4.101 4.350 0.000 0.000 0.267 601 T C 2.004 176.701 174.700 -0.006 0.000 1.053 601 T CA 2.092 64.177 62.100 -0.025 0.000 1.165 601 T CB -0.534 68.317 68.868 -0.029 0.000 0.863 601 T HN 0.650 nan 8.240 nan 0.000 0.427 602 S N 1.558 117.253 115.700 -0.009 0.000 2.343 602 S HA -0.048 4.422 4.470 0.000 0.000 0.219 602 S C 2.456 177.059 174.600 0.004 0.000 1.033 602 S CA 1.345 59.544 58.200 -0.001 0.000 1.014 602 S CB -1.521 61.676 63.200 -0.003 0.000 0.915 602 S HN 0.568 nan 8.310 nan 0.000 0.435 603 G N 1.568 110.369 108.800 0.002 0.000 2.606 603 G HA2 -0.277 3.683 3.960 0.000 0.000 0.221 603 G HA3 -0.277 3.683 3.960 0.000 0.000 0.221 603 G C 1.510 176.423 174.900 0.022 0.000 1.152 603 G CA 1.256 46.362 45.100 0.011 0.000 0.765 603 G HN 0.507 nan 8.290 nan 0.000 0.595 604 V N 1.392 121.319 119.914 0.022 0.000 2.324 604 V HA -0.100 4.020 4.120 0.000 0.000 0.250 604 V C 2.993 179.104 176.094 0.028 0.000 1.060 604 V CA 2.807 65.126 62.300 0.032 0.000 1.042 604 V CB -0.877 30.968 31.823 0.038 0.000 0.650 604 V HN 0.455 nan 8.190 nan 0.000 0.450 605 G N -0.722 108.091 108.800 0.021 0.000 2.421 605 G HA2 -0.315 3.645 3.960 0.000 0.000 0.216 605 G HA3 -0.315 3.645 3.960 0.000 0.000 0.216 605 G C 1.723 176.633 174.900 0.017 0.000 1.171 605 G CA 1.762 46.873 45.100 0.018 0.000 0.775 605 G HN 0.608 nan 8.290 nan 0.000 0.543 606 T N 0.290 114.855 114.554 0.018 0.000 2.665 606 T HA -0.096 4.254 4.350 0.000 0.000 0.268 606 T C 2.570 177.285 174.700 0.025 0.000 1.035 606 T CA 2.185 64.297 62.100 0.020 0.000 1.151 606 T CB -0.689 68.191 68.868 0.021 0.000 0.862 606 T HN 0.447 nan 8.240 nan 0.000 0.438 607 A N 1.483 124.321 122.820 0.030 0.000 1.978 607 A HA 0.089 4.409 4.320 0.000 0.000 0.220 607 A C 2.456 180.059 177.584 0.031 0.000 1.170 607 A CA 1.556 53.615 52.037 0.036 0.000 0.636 607 A CB -0.881 18.146 19.000 0.045 0.000 0.810 607 A HN 0.575 nan 8.150 nan 0.000 0.448 608 L N -1.630 119.609 121.223 0.027 0.000 2.007 608 L HA -0.115 4.225 4.340 0.000 0.000 0.205 608 L C 2.663 179.543 176.870 0.017 0.000 1.073 608 L CA 1.477 56.330 54.840 0.022 0.000 0.744 608 L CB -0.581 41.489 42.059 0.020 0.000 0.898 608 L HN 0.417 nan 8.230 nan 0.000 0.435 609 R N 0.082 120.591 120.500 0.015 0.000 2.206 609 R HA -0.254 4.086 4.340 0.000 0.000 0.240 609 R C 1.537 177.844 176.300 0.013 0.000 1.117 609 R CA 2.674 58.781 56.100 0.012 0.000 0.915 609 R CB -0.524 29.783 30.300 0.012 0.000 0.888 609 R HN 0.504 nan 8.270 nan 0.000 0.432 610 T N -2.593 111.971 114.554 0.016 0.000 3.215 610 T HA 0.334 4.684 4.350 0.000 0.000 0.271 610 T C 0.358 175.069 174.700 0.019 0.000 1.012 610 T CA -0.104 62.005 62.100 0.016 0.000 0.899 610 T CB 0.959 69.837 68.868 0.016 0.000 1.089 610 T HN 0.349 nan 8.240 nan 0.000 0.552 611 G N 1.666 110.478 108.800 0.020 0.000 2.378 611 G HA2 0.411 4.371 3.960 0.000 0.000 0.255 611 G HA3 0.411 4.371 3.960 0.000 0.000 0.255 611 G C 0.207 175.118 174.900 0.018 0.000 1.270 611 G CA -0.612 44.501 45.100 0.022 0.000 0.876 611 G HN 0.504 nan 8.290 nan 0.000 0.521 612 S N 3.350 119.061 115.700 0.018 0.000 3.036 612 S HA 0.250 4.720 4.470 0.000 0.000 0.301 612 S C 0.595 175.204 174.600 0.015 0.000 1.205 612 S CA -0.765 57.444 58.200 0.015 0.000 0.999 612 S CB -0.228 62.980 63.200 0.014 0.000 1.337 612 S HN 0.718 nan 8.310 nan 0.000 0.515 613 L N 1.741 122.973 121.223 0.015 0.000 4.094 613 L HA -0.162 4.178 4.340 0.000 0.000 0.466 613 L C 1.111 177.990 176.870 0.016 0.000 0.991 613 L CA 0.330 55.179 54.840 0.015 0.000 0.821 613 L CB -1.947 40.121 42.059 0.014 0.000 1.201 613 L HN 0.798 nan 8.230 nan 0.000 0.757 614 G N 2.835 111.645 108.800 0.017 0.000 2.305 614 G HA2 0.212 4.172 3.960 0.000 0.000 0.281 614 G HA3 0.212 4.172 3.960 0.000 0.000 0.281 614 G C 0.299 175.209 174.900 0.015 0.000 1.085 614 G CA -0.247 44.863 45.100 0.017 0.000 1.211 614 G HN 0.526 nan 8.290 nan 0.000 0.421 615 K N 2.750 123.158 120.400 0.013 0.000 2.530 615 K HA 0.433 4.753 4.320 0.000 0.000 0.230 615 K C 0.728 177.334 176.600 0.009 0.000 1.002 615 K CA -0.522 55.773 56.287 0.012 0.000 1.014 615 K CB 0.717 33.225 32.500 0.012 0.000 1.286 615 K HN 0.407 nan 8.250 nan 0.000 0.480 616 G N 2.662 111.468 108.800 0.010 0.000 2.101 616 G HA2 -0.103 3.857 3.960 0.000 0.000 0.262 616 G HA3 -0.103 3.857 3.960 0.000 0.000 0.262 616 G C 1.209 176.112 174.900 0.005 0.000 1.041 616 G CA 0.151 45.256 45.100 0.007 0.000 1.002 616 G HN 0.537 nan 8.290 nan 0.000 0.403 617 V N 3.385 123.301 119.914 0.002 0.000 2.277 617 V HA -0.314 3.806 4.120 0.000 0.000 0.253 617 V C 3.201 179.295 176.094 0.001 0.000 1.067 617 V CA 3.632 65.933 62.300 0.001 0.000 1.047 617 V CB -0.820 31.002 31.823 -0.002 0.000 0.649 617 V HN 1.043 nan 8.190 nan 0.000 0.447 618 T N -1.684 112.870 114.554 0.001 0.000 2.570 618 T HA -0.338 4.012 4.350 0.000 0.000 0.266 618 T C 1.685 176.385 174.700 0.001 0.000 1.071 618 T CA 2.122 64.222 62.100 0.001 0.000 1.172 618 T CB -0.948 67.920 68.868 0.001 0.000 0.864 618 T HN 0.590 nan 8.240 nan 0.000 0.421 619 D N 1.843 122.244 120.400 0.003 0.000 2.178 619 D HA 0.027 4.667 4.640 0.000 0.000 0.201 619 D C 2.272 178.574 176.300 0.003 0.000 0.980 619 D CA 1.236 55.238 54.000 0.003 0.000 0.842 619 D CB -0.604 40.198 40.800 0.005 0.000 0.948 619 D HN 0.551 nan 8.370 nan 0.000 0.472 620 A N 0.247 123.069 122.820 0.004 0.000 1.841 620 A HA -0.196 4.124 4.320 0.000 0.000 0.216 620 A C 2.400 179.985 177.584 0.002 0.000 1.199 620 A CA 2.925 54.965 52.037 0.004 0.000 0.621 620 A CB -1.318 17.685 19.000 0.004 0.000 0.835 620 A HN 0.387 nan 8.150 nan 0.000 0.445 621 S N 0.166 115.867 115.700 0.001 0.000 2.380 621 S HA -0.286 4.184 4.470 0.000 0.000 0.229 621 S C 1.640 176.240 174.600 -0.000 0.000 1.043 621 S CA 1.942 60.142 58.200 0.001 0.000 1.038 621 S CB -0.574 62.626 63.200 -0.000 0.000 0.872 621 S HN 0.566 nan 8.310 nan 0.000 0.456 622 E N 1.345 121.545 120.200 -0.000 0.000 2.106 622 E HA 0.023 4.373 4.350 0.000 0.000 0.192 622 E C 2.110 178.709 176.600 -0.001 0.000 0.984 622 E CA 1.035 57.434 56.400 -0.001 0.000 0.806 622 E CB -0.212 29.487 29.700 -0.001 0.000 0.750 622 E HN 0.660 nan 8.360 nan 0.000 0.458 623 K N 0.333 120.733 120.400 -0.000 0.000 2.057 623 K HA -0.133 4.187 4.320 0.000 0.000 0.206 623 K C 2.131 178.731 176.600 -0.000 0.000 1.050 623 K CA 0.852 57.139 56.287 -0.000 0.000 0.935 623 K CB -0.182 32.319 32.500 0.002 0.000 0.715 623 K HN 0.109 nan 8.250 nan 0.000 0.439 624 L N 1.936 123.159 121.223 0.001 0.000 2.021 624 L HA -0.261 4.079 4.340 0.000 0.000 0.215 624 L C 2.524 179.394 176.870 -0.000 0.000 1.074 624 L CA 1.859 56.699 54.840 0.001 0.000 0.760 624 L CB -0.572 41.487 42.059 0.001 0.000 0.889 624 L HN 0.159 nan 8.230 nan 0.000 0.433 625 R N -0.234 120.266 120.500 -0.001 0.000 2.070 625 R HA -0.147 4.193 4.340 0.000 0.000 0.232 625 R C 2.168 178.465 176.300 -0.004 0.000 1.138 625 R CA 1.653 57.752 56.100 -0.002 0.000 0.936 625 R CB -0.769 29.530 30.300 -0.003 0.000 0.839 625 R HN 0.553 nan 8.270 nan 0.000 0.429 626 A N 1.463 124.279 122.820 -0.005 0.000 1.948 626 A HA -0.189 4.131 4.320 0.000 0.000 0.220 626 A C 2.282 179.860 177.584 -0.009 0.000 1.177 626 A CA 1.607 53.639 52.037 -0.008 0.000 0.636 626 A CB -0.486 18.509 19.000 -0.008 0.000 0.815 626 A HN 0.413 nan 8.150 nan 0.000 0.449 627 R N -0.888 119.609 120.500 -0.005 0.000 2.096 627 R HA -0.147 4.193 4.340 0.000 0.000 0.235 627 R C 2.475 178.774 176.300 -0.002 0.000 1.127 627 R CA 1.624 57.721 56.100 -0.004 0.000 0.968 627 R CB -0.306 29.994 30.300 -0.001 0.000 0.861 627 R HN 0.697 nan 8.270 nan 0.000 0.440 628 Q N 0.143 119.942 119.800 -0.002 0.000 2.016 628 Q HA -0.136 4.204 4.340 0.000 0.000 0.200 628 Q C 2.329 178.328 176.000 -0.002 0.000 0.978 628 Q CA 2.045 57.848 55.803 0.001 0.000 0.833 628 Q CB -0.017 28.722 28.738 0.001 0.000 0.895 628 Q HN 0.381 nan 8.270 nan 0.000 0.427 629 S N 0.774 116.470 115.700 -0.007 0.000 2.383 629 S HA -0.206 4.264 4.470 0.000 0.000 0.229 629 S C 1.909 176.496 174.600 -0.022 0.000 1.030 629 S CA 1.101 59.294 58.200 -0.013 0.000 1.002 629 S CB -0.521 62.671 63.200 -0.013 0.000 0.829 629 S HN 0.296 nan 8.310 nan 0.000 0.467 630 L N 1.997 123.206 121.223 -0.022 0.000 1.989 630 L HA -0.116 4.224 4.340 0.000 0.000 0.211 630 L C 2.681 179.531 176.870 -0.033 0.000 1.071 630 L CA 2.269 57.090 54.840 -0.032 0.000 0.749 630 L CB -1.198 40.846 42.059 -0.026 0.000 0.890 630 L HN 0.328 nan 8.230 nan 0.000 0.431 631 T N -1.019 113.531 114.554 -0.008 0.000 2.635 631 T HA -0.241 4.109 4.350 0.000 0.000 0.267 631 T C 1.899 176.596 174.700 -0.004 0.000 1.040 631 T CA 1.898 64.006 62.100 0.014 0.000 1.156 631 T CB -0.650 68.237 68.868 0.031 0.000 0.863 631 T HN 0.212 nan 8.240 nan 0.000 0.430 632 V N 2.133 122.041 119.914 -0.009 0.000 2.231 632 V HA -0.286 3.834 4.120 0.000 0.000 0.250 632 V C 2.944 179.009 176.094 -0.048 0.000 1.058 632 V CA 2.037 64.328 62.300 -0.015 0.000 1.022 632 V CB -1.447 30.372 31.823 -0.007 0.000 0.640 632 V HN 0.601 nan 8.190 nan 0.000 0.445 633 A N -0.887 121.897 122.820 -0.061 0.000 1.940 633 A HA -0.237 4.083 4.320 0.000 0.000 0.219 633 A C 2.318 179.813 177.584 -0.149 0.000 1.176 633 A CA 1.972 53.959 52.037 -0.083 0.000 0.631 633 A CB -0.479 18.473 19.000 -0.081 0.000 0.814 633 A HN 0.539 nan 8.150 nan 0.000 0.446 634 K N -0.788 119.487 120.400 -0.209 0.000 2.032 634 K HA -0.183 4.137 4.320 0.000 0.000 0.209 634 K C 2.319 178.227 176.600 -1.152 0.000 1.048 634 K CA 1.451 57.460 56.287 -0.463 0.000 0.927 634 K CB -0.251 32.104 32.500 -0.241 0.000 0.712 634 K HN 0.462 nan 8.250 nan 0.000 0.441 635 Q N 0.137 119.628 119.800 -0.514 0.000 2.029 635 Q HA -0.211 4.129 4.340 0.000 0.000 0.209 635 Q C 2.181 178.089 176.000 -0.153 0.000 0.999 635 Q CA 2.031 57.720 55.803 -0.190 0.000 0.857 635 Q CB -0.601 28.175 28.738 0.063 0.000 0.926 635 Q HN 0.361 nan 8.270 nan 0.000 0.415 636 A N 0.466 123.223 122.820 -0.105 0.000 1.948 636 A HA -0.211 4.109 4.320 0.000 0.000 0.220 636 A C 1.932 179.511 177.584 -0.009 0.000 1.177 636 A CA 1.629 53.645 52.037 -0.036 0.000 0.636 636 A CB -0.893 18.098 19.000 -0.014 0.000 0.815 636 A HN 0.423 nan 8.150 nan 0.000 0.449 637 F N 0.298 120.090 119.950 -0.262 0.000 2.069 637 F HA -0.166 4.361 4.527 0.000 0.000 0.298 637 F C 1.840 177.602 175.800 -0.064 0.000 1.113 637 F CA 1.510 59.389 58.000 -0.202 0.000 1.214 637 F CB -0.658 38.157 39.000 -0.308 0.000 0.978 637 F HN 0.206 nan 8.300 nan 0.000 0.474 638 F N 1.460 121.253 119.950 -0.261 0.000 2.126 638 F HA -0.194 4.333 4.527 0.000 0.000 0.299 638 F C 2.394 178.077 175.800 -0.195 0.000 1.096 638 F CA 1.377 59.152 58.000 -0.374 0.000 1.255 638 F CB -1.715 37.182 39.000 -0.171 0.000 0.997 638 F HN 0.045 nan 8.300 nan 0.000 0.479 639 D N -0.055 120.395 120.400 0.084 0.000 2.116 639 D HA -0.211 4.429 4.640 0.000 0.000 0.193 639 D C 2.339 178.670 176.300 0.051 0.000 0.998 639 D CA 1.417 55.454 54.000 0.062 0.000 0.836 639 D CB -0.658 40.175 40.800 0.055 0.000 0.951 639 D HN 0.295 nan 8.370 nan 0.000 0.449 640 Q N 0.716 120.542 119.800 0.043 0.000 2.061 640 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 640 Q C 2.366 178.432 176.000 0.109 0.000 0.984 640 Q CA 1.116 56.962 55.803 0.071 0.000 0.846 640 Q CB -0.461 28.326 28.738 0.082 0.000 0.902 640 Q HN 0.359 nan 8.270 nan 0.000 0.421 641 I N 0.818 121.414 120.570 0.043 0.000 2.226 641 I HA -0.212 3.958 4.170 0.000 0.000 0.245 641 I C 2.482 178.758 176.117 0.266 0.000 1.100 641 I CA 1.204 62.598 61.300 0.156 0.000 1.374 641 I CB -0.710 37.193 38.000 -0.161 0.000 1.057 641 I HN 0.336 nan 8.210 nan 0.000 0.413 642 G N 0.446 109.305 108.800 0.098 0.000 2.469 642 G HA2 -0.345 3.615 3.960 0.000 0.000 0.219 642 G HA3 -0.345 3.615 3.960 0.000 0.000 0.219 642 G C 1.808 176.751 174.900 0.071 0.000 1.150 642 G CA 1.300 46.434 45.100 0.056 0.000 0.763 642 G HN 0.519 nan 8.290 nan 0.000 0.561 643 S N 0.254 116.009 115.700 0.091 0.000 2.368 643 S HA 0.017 4.487 4.470 0.000 0.000 0.225 643 S C 2.357 177.011 174.600 0.089 0.000 1.030 643 S CA 1.307 59.557 58.200 0.083 0.000 0.999 643 S CB -0.359 62.884 63.200 0.071 0.000 0.844 643 S HN 0.265 nan 8.310 nan 0.000 0.459 644 L N -1.158 120.149 121.223 0.140 0.000 2.209 644 L HA 0.317 4.657 4.340 0.000 0.000 0.207 644 L C 1.015 177.786 176.870 -0.165 0.000 1.094 644 L CA 0.421 55.308 54.840 0.079 0.000 0.790 644 L CB 0.124 42.361 42.059 0.296 0.000 0.932 644 L HN 0.599 nan 8.230 nan 0.000 0.447 645 W N 2.325 123.284 121.300 -0.567 0.000 2.534 645 W HA 0.264 4.924 4.660 0.000 0.000 0.292 645 W C -2.545 173.824 176.519 -0.250 0.000 1.027 645 W CA -2.115 54.832 57.345 -0.664 0.000 1.304 645 W CB 1.517 30.208 29.460 -1.281 0.000 1.187 645 W HN -0.228 nan 8.180 nan 0.000 0.356 646 P HA 0.042 nan 4.420 nan 0.000 0.252 646 P C 0.813 177.675 177.300 -0.730 0.000 1.694 646 P CA 0.508 63.511 63.100 -0.162 0.000 1.163 646 P CB -0.242 31.454 31.700 -0.008 0.000 1.934 647 G N 5.027 113.069 108.800 -1.264 0.000 2.209 647 G HA2 0.072 4.032 3.960 0.000 0.000 0.271 647 G HA3 0.072 4.032 3.960 0.000 0.000 0.271 647 G C 0.532 174.969 174.900 -0.771 0.000 1.111 647 G CA -0.210 43.911 45.100 -1.631 0.000 1.092 647 G HN 0.584 nan 8.290 nan 0.000 0.416 648 K N 0.000 120.030 120.400 -0.616 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.136 56.287 -0.252 0.000 0.838 648 K CB 0.000 32.415 32.500 -0.142 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543