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 2vf8_1_B DATA FIRST_RESID 8 DATA SEQUENCE PDFPDGGFVQ VRGARQHNLK DISVKVPRDA LVVFTGVSGS GKSSLAFGTL DATA SEQUENCE YAEAQRRYLE SVSPYARRLF NQAGVPDVDA IDGLPPAVAL QQARGTPTAR DATA SEQUENCE SSVGSVTTLS NLLRMLYSRA GDYPPGQGIV YAEGFSPNTP EGACPECHGL DATA SEQUENCE GRVYTVTEDS MVPDPSLTIR ERAVAAWPQA WGGQNQRDIL VTLGIDVDVP DATA SEQUENCE WRELPEETRH WILFTDEQPV VPVYPGLTPA ETQRALKKKM EPSYMGTFSS DATA SEQUENCE ARRHVLHTFA NTESASMKKR VQGYMISEEC PLCHGKRLRQ EALNVTFAGL DATA SEQUENCE DITELSRLPL ARVSELLRPY AEEREPGHAE RVKNRPEQAI ALQRMAADLV DATA SEQUENCE KRLDVLLHLG LGYLGLDRST PTLSPGELQR LRLATQLYSN LFGVVYVLDE DATA SEQUENCE PSAGLHPADT EALLSALENL KRGGNSLFVV EHDLDVIRRA DWLVDVGPEA DATA SEQUENCE GEKGGEILYS GPPEGLKHVP ESQTGQYLFA DRHTEPHTPR EPAGWLELNG DATA SEQUENCE VTRNNLDNLD VRFPLGVMTS VTGVSGSGKS TLVSQALVDA LAAHFGQPVN DATA SEQUENCE PDPEDDEDPA DHTAGSARLG GDLAQITRLV RVDQKPIGRT PRSNMATYTG DATA SEQUENCE LFDQVRKLFA ATPLAKKRGY NAGRFSFNVK GGRCEHCQGE GWVMVELLFL DATA SEQUENCE PSVYAPCPVC HGTRYNAETL EVEYRGKNIA DVLALTVDEA HDFFADESAI DATA SEQUENCE FRALDTLREV GLGYLRLGQP ATELSGGEAQ RIKLATELRR SGRGGTVYVL DATA SEQUENCE DEPTTGLHPA DVERLQRQLV KLVDAGNTVI AVEHKMQVVA ASDWVLDIGP DATA SEQUENCE GAGEDGGRLV AQGTPAEVAQ AAGSVTAPYL RAALR 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.268 177.300 -0.053 0.000 1.155 8 P CA 0.000 63.072 63.100 -0.046 0.000 0.800 8 P CB 0.000 31.701 31.700 0.002 0.000 0.726 9 D N -0.190 120.083 120.400 -0.212 0.000 2.548 9 D HA 0.327 4.967 4.640 0.000 0.000 0.214 9 D C -0.905 175.201 176.300 -0.323 0.000 1.345 9 D CA -0.228 53.691 54.000 -0.134 0.000 0.945 9 D CB -0.064 40.712 40.800 -0.040 0.000 1.499 9 D HN -0.209 nan 8.370 nan 0.000 0.579 10 F N 1.234 121.264 119.950 0.132 0.000 2.404 10 F HA 0.563 5.090 4.527 0.000 0.000 0.339 10 F C -1.729 174.102 175.800 0.052 0.000 1.105 10 F CA -1.904 56.109 58.000 0.021 0.000 1.087 10 F CB 1.014 39.952 39.000 -0.103 0.000 1.143 10 F HN 0.094 nan 8.300 nan 0.000 0.491 11 P HA 0.141 nan 4.420 nan 0.000 0.275 11 P C -0.997 176.405 177.300 0.171 0.000 1.227 11 P CA -0.498 62.662 63.100 0.099 0.000 0.781 11 P CB 0.449 32.166 31.700 0.029 0.000 0.906 12 D N 1.737 122.250 120.400 0.189 0.000 2.795 12 D HA 0.068 4.708 4.640 0.000 0.000 0.221 12 D C 1.726 178.130 176.300 0.172 0.000 1.108 12 D CA 2.214 56.327 54.000 0.187 0.000 0.832 12 D CB -0.187 40.672 40.800 0.100 0.000 1.183 12 D HN 0.721 nan 8.370 nan 0.000 0.503 13 G N 2.209 111.138 108.800 0.216 0.000 2.230 13 G HA2 -0.298 3.662 3.960 0.000 0.000 0.270 13 G HA3 -0.298 3.662 3.960 0.000 0.000 0.270 13 G C 1.036 175.997 174.900 0.102 0.000 0.987 13 G CA 0.736 45.922 45.100 0.142 0.000 0.664 13 G HN 0.804 nan 8.290 nan 0.000 0.539 14 G N -0.669 108.176 108.800 0.075 0.000 3.440 14 G HA2 0.474 4.434 3.960 0.000 0.000 0.263 14 G HA3 0.474 4.434 3.960 0.000 0.000 0.263 14 G C 0.001 174.705 174.900 -0.327 0.000 1.236 14 G CA -0.494 44.543 45.100 -0.104 0.000 0.927 14 G HN 0.312 nan 8.290 nan 0.000 0.530 15 F N -0.353 119.520 119.950 -0.128 0.000 2.458 15 F HA 0.463 4.990 4.527 0.000 0.000 0.330 15 F C 0.304 176.031 175.800 -0.121 0.000 1.082 15 F CA -1.011 56.874 58.000 -0.192 0.000 0.995 15 F CB 2.087 40.950 39.000 -0.228 0.000 1.170 15 F HN -0.246 nan 8.300 nan 0.000 0.478 16 V N 2.857 122.787 119.914 0.027 0.000 2.461 16 V HA 0.214 4.334 4.120 0.000 0.000 0.275 16 V C -0.341 175.781 176.094 0.047 0.000 1.047 16 V CA -0.471 61.853 62.300 0.040 0.000 0.955 16 V CB 1.069 32.937 31.823 0.074 0.000 0.988 16 V HN 0.673 nan 8.190 nan 0.000 0.471 17 Q N 3.287 123.112 119.800 0.041 0.000 2.325 17 Q HA 0.553 4.893 4.340 0.000 0.000 0.262 17 Q C -0.925 175.088 176.000 0.023 0.000 0.968 17 Q CA -0.333 55.486 55.803 0.027 0.000 0.877 17 Q CB 2.114 30.864 28.738 0.019 0.000 1.253 17 Q HN 0.651 nan 8.270 nan 0.000 0.448 18 V N 3.379 123.304 119.914 0.019 0.000 2.612 18 V HA 0.575 4.695 4.120 0.000 0.000 0.301 18 V C -0.103 175.999 176.094 0.014 0.000 1.046 18 V CA -0.638 61.675 62.300 0.022 0.000 0.946 18 V CB 1.666 33.505 31.823 0.028 0.000 1.003 18 V HN 0.694 nan 8.190 nan 0.000 0.459 19 R N 1.678 122.186 120.500 0.014 0.000 2.548 19 R HA 0.551 4.891 4.340 0.000 0.000 0.280 19 R C 0.390 176.697 176.300 0.013 0.000 1.061 19 R CA -0.081 56.025 56.100 0.010 0.000 0.915 19 R CB 1.931 32.235 30.300 0.006 0.000 1.210 19 R HN 1.112 nan 8.270 nan 0.000 0.442 20 G N 1.398 110.206 108.800 0.013 0.000 2.225 20 G HA2 -0.262 3.698 3.960 0.000 0.000 0.264 20 G HA3 -0.262 3.698 3.960 0.000 0.000 0.264 20 G C -0.073 174.839 174.900 0.019 0.000 1.060 20 G CA 0.167 45.276 45.100 0.015 0.000 0.833 20 G HN 0.726 nan 8.290 nan 0.000 0.498 21 A N 0.989 123.822 122.820 0.022 0.000 2.666 21 A HA 0.612 4.932 4.320 0.000 0.000 0.312 21 A C 1.204 178.806 177.584 0.029 0.000 1.471 21 A CA 0.050 52.103 52.037 0.026 0.000 1.134 21 A CB -0.065 18.953 19.000 0.030 0.000 1.129 21 A HN 0.882 nan 8.150 nan 0.000 0.539 22 R N 2.450 122.969 120.500 0.032 0.000 3.863 22 R HA 0.158 4.498 4.340 0.000 0.000 0.304 22 R C 0.370 176.702 176.300 0.053 0.000 1.485 22 R CA -0.427 55.698 56.100 0.042 0.000 1.355 22 R CB -0.046 30.279 30.300 0.041 0.000 1.457 22 R HN 0.643 nan 8.270 nan 0.000 0.669 23 Q N 1.783 121.605 119.800 0.037 0.000 1.353 23 Q HA -0.142 4.198 4.340 0.000 0.000 0.634 23 Q C 0.718 176.772 176.000 0.091 0.000 0.941 23 Q CA 1.923 57.730 55.803 0.006 0.000 0.895 23 Q CB -0.238 28.441 28.738 -0.099 0.000 0.930 23 Q HN 0.662 nan 8.270 nan 0.000 0.338 24 H N -0.820 118.290 119.070 0.067 0.000 2.549 24 H HA 0.015 4.571 4.556 0.000 0.000 0.326 24 H C 1.731 177.092 175.328 0.056 0.000 1.111 24 H CA 0.668 56.755 56.048 0.065 0.000 1.555 24 H CB -0.201 29.600 29.762 0.065 0.000 1.548 24 H HN 0.605 nan 8.280 nan 0.000 0.660 25 N N 1.518 120.345 118.700 0.213 0.000 2.216 25 N HA -0.095 4.645 4.740 0.000 0.000 0.183 25 N C 0.353 175.916 175.510 0.087 0.000 1.017 25 N CA 0.148 53.267 53.050 0.114 0.000 0.861 25 N CB -0.780 37.753 38.487 0.076 0.000 0.986 25 N HN 0.102 nan 8.380 nan 0.000 0.428 26 L N 1.468 122.743 121.223 0.086 0.000 2.999 26 L HA -0.158 4.182 4.340 0.000 0.000 0.304 26 L C 0.326 177.227 176.870 0.052 0.000 1.104 26 L CA 0.802 55.679 54.840 0.061 0.000 0.911 26 L CB -0.543 41.548 42.059 0.053 0.000 1.341 26 L HN 0.167 nan 8.230 nan 0.000 0.487 27 K N 3.127 123.553 120.400 0.043 0.000 3.000 27 K HA 0.054 4.374 4.320 0.000 0.000 0.265 27 K C 0.205 176.823 176.600 0.030 0.000 1.260 27 K CA 0.141 56.450 56.287 0.036 0.000 1.209 27 K CB -0.641 31.878 32.500 0.031 0.000 1.484 27 K HN 0.565 nan 8.250 nan 0.000 0.283 28 D N 0.594 121.014 120.400 0.032 0.000 2.803 28 D HA -0.198 4.442 4.640 0.000 0.000 0.233 28 D C -0.582 175.732 176.300 0.022 0.000 1.182 28 D CA 0.729 54.745 54.000 0.027 0.000 0.726 28 D CB -0.828 39.986 40.800 0.024 0.000 0.987 28 D HN 0.428 nan 8.370 nan 0.000 0.412 29 I N -2.657 117.927 120.570 0.024 0.000 3.217 29 I HA 0.825 4.995 4.170 0.000 0.000 0.308 29 I C -0.195 175.932 176.117 0.016 0.000 1.091 29 I CA -0.630 60.681 61.300 0.019 0.000 1.013 29 I CB 2.231 40.245 38.000 0.023 0.000 1.250 29 I HN -0.032 nan 8.210 nan 0.000 0.496 30 S N 1.062 116.768 115.700 0.010 0.000 2.575 30 S HA 0.820 5.290 4.470 0.000 0.000 0.278 30 S C -0.989 173.611 174.600 0.001 0.000 1.139 30 S CA -0.631 57.573 58.200 0.006 0.000 0.954 30 S CB 1.711 64.911 63.200 -0.001 0.000 1.054 30 S HN 0.690 nan 8.310 nan 0.000 0.483 31 V N 1.296 121.212 119.914 0.004 0.000 2.888 31 V HA 0.649 4.769 4.120 0.000 0.000 0.309 31 V C -0.687 175.413 176.094 0.010 0.000 1.114 31 V CA -1.206 61.097 62.300 0.004 0.000 0.940 31 V CB 1.929 33.751 31.823 -0.002 0.000 1.021 31 V HN 0.902 nan 8.190 nan 0.000 0.426 32 K N 2.053 122.470 120.400 0.028 0.000 2.138 32 K HA 0.859 5.179 4.320 0.000 0.000 0.263 32 K C -1.562 175.065 176.600 0.046 0.000 0.965 32 K CA -0.615 55.688 56.287 0.027 0.000 0.868 32 K CB 2.238 34.688 32.500 -0.084 0.000 1.083 32 K HN 0.532 nan 8.250 nan 0.000 0.443 33 V N 3.621 123.494 119.914 -0.068 0.000 2.567 33 V HA 0.325 4.445 4.120 0.000 0.000 0.298 33 V C -2.461 173.317 176.094 -0.527 0.000 1.047 33 V CA -1.769 60.305 62.300 -0.376 0.000 0.880 33 V CB 1.713 33.315 31.823 -0.368 0.000 1.009 33 V HN 0.843 nan 8.190 nan 0.000 0.429 34 P HA 0.314 nan 4.420 nan 0.000 0.275 34 P C -0.456 176.476 177.300 -0.615 0.000 1.227 34 P CA -0.382 61.950 63.100 -1.280 0.000 0.781 34 P CB 1.008 31.691 31.700 -1.695 0.000 0.906 35 R N 1.369 121.604 120.500 -0.441 0.000 2.571 35 R HA 0.295 4.635 4.340 0.000 0.000 0.259 35 R C -0.242 175.948 176.300 -0.184 0.000 1.226 35 R CA -0.586 55.400 56.100 -0.190 0.000 1.157 35 R CB -0.346 29.883 30.300 -0.120 0.000 1.220 35 R HN 0.320 nan 8.270 nan 0.000 0.605 36 D N -1.110 119.227 120.400 -0.104 0.000 2.772 36 D HA -0.168 4.472 4.640 0.000 0.000 0.233 36 D C -1.015 175.292 176.300 0.011 0.000 1.143 36 D CA 1.663 55.630 54.000 -0.055 0.000 0.700 36 D CB -1.023 39.746 40.800 -0.052 0.000 1.076 36 D HN 0.733 nan 8.370 nan 0.000 0.430 37 A N -0.173 122.658 122.820 0.019 0.000 2.594 37 A HA 0.576 4.896 4.320 0.000 0.000 0.295 37 A C -0.717 176.927 177.584 0.100 0.000 1.071 37 A CA -0.861 51.214 52.037 0.064 0.000 0.685 37 A CB 1.485 20.441 19.000 -0.073 0.000 1.285 37 A HN 0.181 nan 8.150 nan 0.000 0.405 38 L N 2.449 123.745 121.223 0.123 0.000 2.454 38 L HA 0.502 4.842 4.340 0.000 0.000 0.284 38 L C -0.702 176.261 176.870 0.154 0.000 1.139 38 L CA 0.279 55.200 54.840 0.136 0.000 0.911 38 L CB -0.376 41.751 42.059 0.113 0.000 1.262 38 L HN 0.365 nan 8.230 nan 0.000 0.453 39 V N 5.530 125.570 119.914 0.211 0.000 2.509 39 V HA 0.480 4.600 4.120 0.000 0.000 0.284 39 V C 0.164 176.416 176.094 0.263 0.000 1.047 39 V CA -0.529 61.886 62.300 0.192 0.000 0.952 39 V CB 1.644 33.543 31.823 0.127 0.000 0.988 39 V HN 0.524 nan 8.190 nan 0.000 0.469 40 V N 4.969 124.977 119.914 0.157 0.000 2.735 40 V HA 0.584 4.704 4.120 0.000 0.000 0.310 40 V C -1.086 175.065 176.094 0.095 0.000 1.061 40 V CA -0.581 61.854 62.300 0.226 0.000 0.913 40 V CB 2.127 34.015 31.823 0.107 0.000 1.005 40 V HN 0.719 nan 8.190 nan 0.000 0.428 41 F N 3.614 123.552 119.950 -0.020 0.000 2.426 41 F HA 0.623 5.151 4.527 0.000 0.000 0.348 41 F C 0.586 176.372 175.800 -0.023 0.000 1.124 41 F CA -0.472 57.518 58.000 -0.017 0.000 1.008 41 F CB 2.132 41.122 39.000 -0.016 0.000 1.139 41 F HN 0.556 nan 8.300 nan 0.000 0.452 42 T N 0.402 115.012 114.554 0.094 0.000 2.930 42 T HA 0.970 5.320 4.350 0.000 0.000 0.290 42 T C -0.282 174.527 174.700 0.182 0.000 1.052 42 T CA -0.713 61.452 62.100 0.109 0.000 1.017 42 T CB 2.020 70.939 68.868 0.085 0.000 1.137 42 T HN 1.150 nan 8.240 nan 0.000 0.511 43 G N 0.071 109.080 108.800 0.348 0.000 2.321 43 G HA2 0.369 4.329 3.960 0.000 0.000 0.339 43 G HA3 0.369 4.329 3.960 0.000 0.000 0.339 43 G C -1.090 174.067 174.900 0.429 0.000 1.518 43 G CA -0.525 44.757 45.100 0.303 0.000 0.994 43 G HN 0.973 nan 8.290 nan 0.000 0.668 44 V N 0.898 120.835 119.914 0.038 0.000 2.843 44 V HA 0.418 4.538 4.120 0.000 0.000 0.305 44 V C 1.725 177.829 176.094 0.016 0.000 1.065 44 V CA 0.704 62.952 62.300 -0.088 0.000 1.116 44 V CB 1.634 33.326 31.823 -0.218 0.000 0.968 44 V HN 1.493 nan 8.190 nan 0.000 0.487 45 S N 3.241 118.939 115.700 -0.005 0.000 2.784 45 S HA 0.245 4.715 4.470 0.000 0.000 0.322 45 S C 1.278 175.805 174.600 -0.122 0.000 1.234 45 S CA 0.826 59.033 58.200 0.013 0.000 1.064 45 S CB -0.672 62.554 63.200 0.044 0.000 0.787 45 S HN 1.925 nan 8.310 nan 0.000 0.506 46 G N 3.278 111.927 108.800 -0.252 0.000 2.213 46 G HA2 -0.310 3.651 3.960 0.000 0.000 0.236 46 G HA3 -0.310 3.651 3.960 0.000 0.000 0.236 46 G C 1.053 175.704 174.900 -0.415 0.000 0.991 46 G CA 0.750 45.371 45.100 -0.798 0.000 0.629 46 G HN 1.457 nan 8.290 nan 0.000 0.517 47 S N -0.284 115.309 115.700 -0.177 0.000 2.406 47 S HA 0.397 4.867 4.470 0.000 0.000 0.228 47 S C 2.112 176.704 174.600 -0.013 0.000 1.020 47 S CA 1.689 59.840 58.200 -0.081 0.000 0.965 47 S CB 0.160 63.352 63.200 -0.013 0.000 0.798 47 S HN 2.374 nan 8.310 nan 0.000 0.488 48 G N 1.648 110.465 108.800 0.030 0.000 2.155 48 G HA2 -0.171 3.789 3.960 0.000 0.000 0.130 48 G HA3 -0.171 3.789 3.960 0.000 0.000 0.130 48 G C 0.588 175.561 174.900 0.122 0.000 1.027 48 G CA 0.081 45.228 45.100 0.078 0.000 0.705 48 G HN 0.588 nan 8.290 nan 0.000 0.496 49 K N 0.701 121.192 120.400 0.151 0.000 2.057 49 K HA 0.016 4.336 4.320 0.000 0.000 0.206 49 K C 2.537 179.247 176.600 0.183 0.000 1.050 49 K CA 1.818 58.237 56.287 0.220 0.000 0.935 49 K CB -0.449 32.204 32.500 0.255 0.000 0.715 49 K HN 0.517 nan 8.250 nan 0.000 0.439 50 S N 1.119 116.926 115.700 0.178 0.000 2.419 50 S HA -0.084 4.386 4.470 0.000 0.000 0.233 50 S C 2.092 176.796 174.600 0.174 0.000 1.016 50 S CA 1.290 59.624 58.200 0.223 0.000 0.974 50 S CB -0.282 63.017 63.200 0.164 0.000 0.786 50 S HN 0.239 nan 8.310 nan 0.000 0.492 51 S N 1.054 116.827 115.700 0.123 0.000 2.428 51 S HA 0.204 4.674 4.470 0.000 0.000 0.230 51 S C 1.561 176.174 174.600 0.021 0.000 1.014 51 S CA 0.687 58.902 58.200 0.026 0.000 0.957 51 S CB -0.279 62.929 63.200 0.014 0.000 0.784 51 S HN 0.508 nan 8.310 nan 0.000 0.499 52 L N 0.922 122.197 121.223 0.086 0.000 2.121 52 L HA 0.321 4.661 4.340 0.000 0.000 0.200 52 L C 2.273 179.181 176.870 0.063 0.000 1.077 52 L CA 1.482 56.382 54.840 0.099 0.000 0.766 52 L CB -0.779 41.388 42.059 0.179 0.000 0.931 52 L HN 0.184 nan 8.230 nan 0.000 0.452 53 A N -0.689 122.109 122.820 -0.038 0.000 1.873 53 A HA -0.058 4.262 4.320 0.000 0.000 0.215 53 A C 1.783 179.211 177.584 -0.260 0.000 1.186 53 A CA 1.595 53.415 52.037 -0.361 0.000 0.616 53 A CB -0.885 17.502 19.000 -1.022 0.000 0.823 53 A HN 0.411 nan 8.150 nan 0.000 0.442 54 F N -0.789 119.142 119.950 -0.032 0.000 2.150 54 F HA 0.312 4.839 4.527 0.000 0.000 0.273 54 F C 2.726 178.599 175.800 0.122 0.000 1.223 54 F CA 0.960 59.008 58.000 0.080 0.000 1.090 54 F CB -1.211 37.795 39.000 0.009 0.000 1.013 54 F HN 0.295 nan 8.300 nan 0.000 0.515 55 G N -0.147 108.823 108.800 0.283 0.000 3.081 55 G HA2 -0.420 3.540 3.960 0.000 0.000 0.282 55 G HA3 -0.420 3.540 3.960 0.000 0.000 0.282 55 G C 1.304 176.216 174.900 0.021 0.000 1.102 55 G CA 2.430 47.572 45.100 0.069 0.000 0.851 55 G HN 0.464 nan 8.290 nan 0.000 0.691 56 T N -0.120 114.454 114.554 0.034 0.000 3.234 56 T HA 0.315 4.665 4.350 0.000 0.000 0.235 56 T C 2.378 177.105 174.700 0.045 0.000 0.971 56 T CA 0.604 62.720 62.100 0.027 0.000 1.292 56 T CB -0.377 68.504 68.868 0.022 0.000 0.994 56 T HN 0.126 nan 8.240 nan 0.000 0.412 57 L N 0.269 121.537 121.223 0.075 0.000 1.932 57 L HA -0.062 4.278 4.340 0.000 0.000 0.217 57 L C 2.380 179.291 176.870 0.070 0.000 1.077 57 L CA 1.887 56.793 54.840 0.111 0.000 0.765 57 L CB -0.915 41.280 42.059 0.227 0.000 0.888 57 L HN 0.222 nan 8.230 nan 0.000 0.433 58 Y N 0.798 121.075 120.300 -0.039 0.000 1.938 58 Y HA -0.469 4.081 4.550 0.000 0.000 0.253 58 Y C 2.455 178.349 175.900 -0.010 0.000 1.163 58 Y CA 1.791 59.842 58.100 -0.082 0.000 1.086 58 Y CB -1.072 37.302 38.460 -0.143 0.000 0.928 58 Y HN 0.198 nan 8.280 nan 0.000 0.493 59 A N -0.132 122.538 122.820 -0.252 0.000 1.944 59 A HA -0.417 3.903 4.320 0.000 0.000 0.222 59 A C 2.160 179.617 177.584 -0.212 0.000 1.237 59 A CA 2.738 54.630 52.037 -0.241 0.000 0.668 59 A CB -1.255 17.745 19.000 0.000 0.000 0.830 59 A HN 0.721 nan 8.150 nan 0.000 0.471 60 E N -0.481 119.645 120.200 -0.123 0.000 2.152 60 E HA 0.070 4.420 4.350 0.000 0.000 0.192 60 E C 1.997 178.532 176.600 -0.108 0.000 0.983 60 E CA 1.300 57.651 56.400 -0.081 0.000 0.818 60 E CB -0.407 29.274 29.700 -0.030 0.000 0.758 60 E HN 0.538 nan 8.360 nan 0.000 0.467 61 A N 0.512 123.233 122.820 -0.166 0.000 1.902 61 A HA -0.232 4.088 4.320 0.000 0.000 0.217 61 A C 2.109 179.618 177.584 -0.125 0.000 1.181 61 A CA 1.614 53.566 52.037 -0.142 0.000 0.623 61 A CB -0.501 18.401 19.000 -0.163 0.000 0.818 61 A HN 0.325 nan 8.150 nan 0.000 0.443 62 Q N -0.854 118.798 119.800 -0.247 0.000 2.020 62 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 62 Q C 2.392 178.373 176.000 -0.032 0.000 0.982 62 Q CA 1.356 57.083 55.803 -0.125 0.000 0.838 62 Q CB -0.321 28.272 28.738 -0.241 0.000 0.899 62 Q HN 0.615 nan 8.270 nan 0.000 0.423 63 R N 0.789 121.251 120.500 -0.064 0.000 2.113 63 R HA -0.210 4.130 4.340 0.000 0.000 0.244 63 R C 2.270 178.571 176.300 0.002 0.000 1.142 63 R CA 1.776 57.867 56.100 -0.015 0.000 0.953 63 R CB -0.020 30.271 30.300 -0.016 0.000 0.860 63 R HN 0.099 nan 8.270 nan 0.000 0.438 64 R N -1.255 119.246 120.500 0.002 0.000 2.066 64 R HA -0.157 4.183 4.340 0.000 0.000 0.232 64 R C 2.071 178.393 176.300 0.036 0.000 1.131 64 R CA 1.731 57.840 56.100 0.015 0.000 0.955 64 R CB -0.545 29.767 30.300 0.019 0.000 0.851 64 R HN 0.339 nan 8.270 nan 0.000 0.432 65 Y N 0.390 120.662 120.300 -0.046 0.000 2.286 65 Y HA -0.003 4.547 4.550 0.000 0.000 0.293 65 Y C 1.558 177.454 175.900 -0.007 0.000 1.124 65 Y CA 1.226 59.307 58.100 -0.032 0.000 1.178 65 Y CB 0.138 38.572 38.460 -0.043 0.000 1.010 65 Y HN -0.060 nan 8.280 nan 0.000 0.536 66 L N -0.326 120.921 121.223 0.041 0.000 2.131 66 L HA -0.113 4.227 4.340 0.000 0.000 0.206 66 L C 2.260 179.100 176.870 -0.050 0.000 1.087 66 L CA 1.244 56.080 54.840 -0.007 0.000 0.767 66 L CB -0.479 41.636 42.059 0.093 0.000 0.917 66 L HN 0.168 nan 8.230 nan 0.000 0.441 67 E N -0.053 120.129 120.200 -0.029 0.000 2.110 67 E HA -0.181 4.169 4.350 0.000 0.000 0.193 67 E C 2.271 178.822 176.600 -0.081 0.000 0.988 67 E CA 1.420 57.801 56.400 -0.032 0.000 0.804 67 E CB 0.023 29.710 29.700 -0.021 0.000 0.745 67 E HN 0.327 nan 8.360 nan 0.000 0.458 68 S N -0.048 115.573 115.700 -0.132 0.000 2.453 68 S HA -0.060 4.411 4.470 0.000 0.000 0.231 68 S C 1.836 176.319 174.600 -0.196 0.000 1.005 68 S CA 0.441 58.542 58.200 -0.165 0.000 0.949 68 S CB 0.302 63.393 63.200 -0.181 0.000 0.774 68 S HN 0.051 nan 8.310 nan 0.000 0.510 69 V N 1.215 120.976 119.914 -0.254 0.000 3.471 69 V HA 0.154 4.274 4.120 0.000 0.000 0.258 69 V C 0.715 176.777 176.094 -0.054 0.000 1.192 69 V CA 0.967 63.143 62.300 -0.207 0.000 1.116 69 V CB 0.375 31.980 31.823 -0.363 0.000 0.792 69 V HN 0.513 nan 8.190 nan 0.000 0.459 70 S N -0.317 115.382 115.700 -0.002 0.000 2.407 70 S HA 0.306 4.776 4.470 0.000 0.000 0.166 70 S C -2.077 172.625 174.600 0.170 0.000 1.445 70 S CA -0.861 57.401 58.200 0.104 0.000 1.260 70 S CB 0.983 64.234 63.200 0.085 0.000 1.401 70 S HN 0.264 nan 8.310 nan 0.000 0.379 71 P HA 0.005 nan 4.420 nan 0.000 0.261 71 P C -0.356 176.761 177.300 -0.304 0.000 1.297 71 P CA 0.603 63.610 63.100 -0.154 0.000 0.757 71 P CB -0.604 30.919 31.700 -0.294 0.000 1.149 72 Y N -1.482 118.814 120.300 -0.007 0.000 2.723 72 Y HA 0.405 4.955 4.550 0.000 0.000 0.272 72 Y C 2.550 178.460 175.900 0.016 0.000 1.142 72 Y CA 0.229 58.327 58.100 -0.004 0.000 1.217 72 Y CB -1.208 37.247 38.460 -0.007 0.000 1.391 72 Y HN -0.119 nan 8.280 nan 0.000 0.479 73 A N 1.222 124.193 122.820 0.251 0.000 1.823 73 A HA -0.083 4.237 4.320 0.000 0.000 0.214 73 A C 2.299 180.021 177.584 0.231 0.000 1.225 73 A CA 1.586 53.745 52.037 0.204 0.000 0.604 73 A CB -0.662 18.435 19.000 0.161 0.000 0.878 73 A HN 0.174 nan 8.150 nan 0.000 0.450 74 R N 0.466 121.084 120.500 0.196 0.000 2.113 74 R HA -0.171 4.169 4.340 0.000 0.000 0.244 74 R C 2.277 178.683 176.300 0.176 0.000 1.142 74 R CA 2.002 58.223 56.100 0.202 0.000 0.953 74 R CB -0.869 29.507 30.300 0.126 0.000 0.860 74 R HN 0.646 nan 8.270 nan 0.000 0.438 75 R N 0.127 120.684 120.500 0.095 0.000 2.154 75 R HA -0.207 4.133 4.340 0.000 0.000 0.236 75 R C 2.347 178.664 176.300 0.028 0.000 1.121 75 R CA 1.898 58.023 56.100 0.042 0.000 0.915 75 R CB -0.962 29.336 30.300 -0.004 0.000 0.856 75 R HN 0.218 nan 8.270 nan 0.000 0.431 76 L N 0.105 121.316 121.223 -0.020 0.000 2.034 76 L HA -0.212 4.128 4.340 0.000 0.000 0.217 76 L C 2.081 178.855 176.870 -0.161 0.000 1.077 76 L CA 1.770 56.524 54.840 -0.142 0.000 0.769 76 L CB -0.880 41.016 42.059 -0.273 0.000 0.890 76 L HN 0.144 nan 8.230 nan 0.000 0.435 77 F N 1.205 121.176 119.950 0.035 0.000 2.707 77 F HA -0.036 4.491 4.527 0.000 0.000 0.299 77 F C 1.555 177.377 175.800 0.036 0.000 1.259 77 F CA -0.166 57.856 58.000 0.038 0.000 1.437 77 F CB -1.084 37.945 39.000 0.048 0.000 1.071 77 F HN 0.355 nan 8.300 nan 0.000 0.518 78 N N 0.338 119.125 118.700 0.145 0.000 2.484 78 N HA -0.088 4.652 4.740 0.000 0.000 0.245 78 N C 1.207 176.772 175.510 0.091 0.000 1.184 78 N CA 0.108 53.223 53.050 0.108 0.000 0.884 78 N CB -0.495 38.030 38.487 0.064 0.000 1.182 78 N HN 0.447 nan 8.380 nan 0.000 0.493 79 Q N -0.785 119.088 119.800 0.121 0.000 2.439 79 Q HA -0.011 4.330 4.340 0.000 0.000 0.211 79 Q C 0.896 176.968 176.000 0.121 0.000 0.978 79 Q CA 1.222 57.089 55.803 0.106 0.000 0.897 79 Q CB 0.189 29.015 28.738 0.145 0.000 0.956 79 Q HN 0.644 nan 8.270 nan 0.000 0.483 80 A N -0.706 122.195 122.820 0.136 0.000 2.016 80 A HA 0.287 4.607 4.320 0.000 0.000 0.202 80 A C 1.448 179.102 177.584 0.115 0.000 1.632 80 A CA 0.403 52.522 52.037 0.137 0.000 0.891 80 A CB -0.551 18.540 19.000 0.152 0.000 1.103 80 A HN 0.330 nan 8.150 nan 0.000 0.547 81 G N 0.853 109.715 108.800 0.103 0.000 2.764 81 G HA2 0.388 4.348 3.960 0.000 0.000 0.278 81 G HA3 0.388 4.348 3.960 0.000 0.000 0.278 81 G C -0.299 174.638 174.900 0.062 0.000 0.686 81 G CA 0.132 45.280 45.100 0.080 0.000 2.105 81 G HN 0.307 nan 8.290 nan 0.000 0.562 82 V N 3.577 123.532 119.914 0.068 0.000 2.192 82 V HA 0.152 4.272 4.120 0.000 0.000 0.264 82 V C -1.813 174.314 176.094 0.054 0.000 1.155 82 V CA -1.543 60.789 62.300 0.053 0.000 1.005 82 V CB 0.693 32.547 31.823 0.051 0.000 1.201 82 V HN 0.321 nan 8.190 nan 0.000 0.468 83 P HA 0.011 nan 4.420 nan 0.000 0.261 83 P C -0.228 177.088 177.300 0.028 0.000 1.183 83 P CA 0.266 63.382 63.100 0.027 0.000 0.761 83 P CB 0.378 32.085 31.700 0.012 0.000 0.785 84 D N 3.713 124.131 120.400 0.031 0.000 2.494 84 D HA 0.248 4.888 4.640 0.000 0.000 0.217 84 D C -1.184 175.131 176.300 0.025 0.000 1.153 84 D CA -0.112 53.908 54.000 0.033 0.000 0.954 84 D CB -0.109 40.719 40.800 0.047 0.000 1.034 84 D HN 0.002 nan 8.370 nan 0.000 0.518 85 V N 3.542 123.468 119.914 0.020 0.000 2.808 85 V HA 0.243 4.363 4.120 0.000 0.000 0.308 85 V C 0.428 176.531 176.094 0.015 0.000 1.099 85 V CA -0.663 61.648 62.300 0.018 0.000 0.920 85 V CB 2.166 34.000 31.823 0.018 0.000 1.014 85 V HN 0.276 nan 8.190 nan 0.000 0.425 86 D N 4.229 124.637 120.400 0.014 0.000 2.084 86 D HA 0.111 4.751 4.640 0.000 0.000 0.194 86 D C 0.586 176.891 176.300 0.009 0.000 0.990 86 D CA 1.960 55.966 54.000 0.010 0.000 0.826 86 D CB 0.225 41.031 40.800 0.009 0.000 0.971 86 D HN 0.932 nan 8.370 nan 0.000 0.453 87 A N -0.345 122.481 122.820 0.011 0.000 2.566 87 A HA 0.625 4.945 4.320 0.000 0.000 0.297 87 A C -1.410 176.183 177.584 0.014 0.000 1.059 87 A CA -0.643 51.400 52.037 0.010 0.000 0.691 87 A CB 1.240 20.244 19.000 0.007 0.000 1.282 87 A HN 0.052 nan 8.150 nan 0.000 0.401 88 I N 1.727 122.306 120.570 0.014 0.000 2.533 88 I HA 0.473 4.643 4.170 0.000 0.000 0.290 88 I C -1.456 174.671 176.117 0.017 0.000 1.056 88 I CA -0.648 60.665 61.300 0.021 0.000 1.057 88 I CB 2.500 40.516 38.000 0.028 0.000 1.240 88 I HN 0.491 nan 8.210 nan 0.000 0.423 89 D N 4.042 124.454 120.400 0.020 0.000 2.738 89 D HA 0.513 5.153 4.640 0.000 0.000 0.237 89 D C 0.681 176.992 176.300 0.018 0.000 1.123 89 D CA 0.013 54.023 54.000 0.015 0.000 0.856 89 D CB 2.232 43.040 40.800 0.014 0.000 1.552 89 D HN 0.875 nan 8.370 nan 0.000 0.480 90 G N 1.165 109.970 108.800 0.009 0.000 2.157 90 G HA2 -0.242 3.718 3.960 0.000 0.000 0.248 90 G HA3 -0.242 3.718 3.960 0.000 0.000 0.248 90 G C 0.101 175.000 174.900 -0.002 0.000 0.979 90 G CA -0.340 44.761 45.100 0.002 0.000 0.650 90 G HN 0.477 nan 8.290 nan 0.000 0.529 91 L N 2.041 123.267 121.223 0.005 0.000 2.407 91 L HA 0.319 4.659 4.340 0.000 0.000 0.282 91 L C -1.113 175.729 176.870 -0.046 0.000 1.110 91 L CA -1.350 53.489 54.840 -0.001 0.000 0.863 91 L CB 0.641 42.706 42.059 0.008 0.000 1.207 91 L HN 0.024 nan 8.230 nan 0.000 0.454 92 P HA 0.360 nan 4.420 nan 0.000 0.277 92 P C -2.611 174.586 177.300 -0.172 0.000 1.276 92 P CA -1.254 61.763 63.100 -0.139 0.000 0.788 92 P CB -0.168 31.412 31.700 -0.200 0.000 1.114 93 P HA 0.413 nan 4.420 nan 0.000 0.279 93 P C -1.254 175.859 177.300 -0.312 0.000 1.252 93 P CA -0.321 62.620 63.100 -0.266 0.000 0.811 93 P CB 0.600 32.046 31.700 -0.423 0.000 1.035 94 A N 1.016 123.684 122.820 -0.254 0.000 2.384 94 A HA 0.721 5.041 4.320 0.000 0.000 0.312 94 A C -1.240 176.306 177.584 -0.063 0.000 1.113 94 A CA -0.688 51.238 52.037 -0.185 0.000 0.779 94 A CB 1.242 20.233 19.000 -0.015 0.000 1.307 94 A HN 0.309 nan 8.150 nan 0.000 0.436 95 V N 0.982 120.836 119.914 -0.100 0.000 2.525 95 V HA 0.646 4.766 4.120 0.000 0.000 0.299 95 V C 0.354 176.444 176.094 -0.007 0.000 1.034 95 V CA -0.363 61.957 62.300 0.033 0.000 0.863 95 V CB 1.327 33.184 31.823 0.056 0.000 0.999 95 V HN 1.303 nan 8.190 nan 0.000 0.423 96 A N 4.559 127.280 122.820 -0.165 0.000 2.304 96 A HA 0.815 5.135 4.320 0.000 0.000 0.301 96 A C 0.476 178.019 177.584 -0.069 0.000 1.132 96 A CA -0.344 51.506 52.037 -0.311 0.000 0.819 96 A CB 0.835 19.366 19.000 -0.781 0.000 1.094 96 A HN 0.883 nan 8.150 nan 0.000 0.492 97 L N 0.251 121.478 121.223 0.007 0.000 2.609 97 L HA 0.156 4.496 4.340 0.000 0.000 0.230 97 L C 0.995 177.845 176.870 -0.033 0.000 1.064 97 L CA 0.301 55.132 54.840 -0.016 0.000 0.873 97 L CB -0.102 41.934 42.059 -0.039 0.000 1.139 97 L HN 0.683 nan 8.230 nan 0.000 0.490 98 Q N 1.535 121.316 119.800 -0.031 0.000 2.261 98 Q HA 0.198 4.538 4.340 0.000 0.000 0.252 98 Q C -0.449 175.449 176.000 -0.170 0.000 0.915 98 Q CA -0.008 55.711 55.803 -0.141 0.000 0.915 98 Q CB 1.600 30.176 28.738 -0.271 0.000 1.204 98 Q HN 0.240 nan 8.270 nan 0.000 0.421 99 Q N 0.488 120.209 119.800 -0.132 0.000 2.417 99 Q HA 0.290 4.630 4.340 0.000 0.000 0.241 99 Q C -0.223 175.682 176.000 -0.159 0.000 1.008 99 Q CA -0.375 55.358 55.803 -0.116 0.000 0.901 99 Q CB 0.888 29.580 28.738 -0.077 0.000 1.259 99 Q HN 0.708 nan 8.270 nan 0.000 0.489 100 A N 1.584 124.336 122.820 -0.113 0.000 2.455 100 A HA -0.066 4.254 4.320 0.000 0.000 0.244 100 A C 0.971 178.490 177.584 -0.107 0.000 1.099 100 A CA 0.150 52.120 52.037 -0.111 0.000 0.786 100 A CB 0.252 19.245 19.000 -0.012 0.000 1.051 100 A HN 0.896 nan 8.150 nan 0.000 0.508 101 R N 0.405 120.845 120.500 -0.099 0.000 2.127 101 R HA -0.109 4.231 4.340 0.000 0.000 0.228 101 R C 1.646 177.897 176.300 -0.081 0.000 1.125 101 R CA 2.326 58.366 56.100 -0.100 0.000 0.904 101 R CB -0.884 29.366 30.300 -0.084 0.000 0.831 101 R HN 0.827 nan 8.270 nan 0.000 0.431 102 G N -0.319 108.445 108.800 -0.060 0.000 3.882 102 G HA2 0.166 4.126 3.960 0.000 0.000 0.283 102 G HA3 0.166 4.126 3.960 0.000 0.000 0.283 102 G C -0.861 174.052 174.900 0.021 0.000 1.283 102 G CA -0.257 44.813 45.100 -0.051 0.000 1.402 102 G HN 0.185 nan 8.290 nan 0.000 0.618 103 T N 2.957 117.508 114.554 -0.005 0.000 2.795 103 T HA 0.492 4.842 4.350 0.000 0.000 0.282 103 T C -2.017 172.674 174.700 -0.015 0.000 0.980 103 T CA -0.794 61.306 62.100 0.000 0.000 1.012 103 T CB 2.227 71.081 68.868 -0.024 0.000 0.936 103 T HN 0.168 nan 8.240 nan 0.000 0.457 104 P HA 0.223 nan 4.420 nan 0.000 0.275 104 P C -0.624 176.661 177.300 -0.025 0.000 1.228 104 P CA -0.530 62.561 63.100 -0.015 0.000 0.786 104 P CB 0.326 32.020 31.700 -0.010 0.000 0.927 105 T N 1.396 115.936 114.554 -0.024 0.000 2.751 105 T HA 0.362 4.712 4.350 0.000 0.000 0.290 105 T C 0.740 175.428 174.700 -0.020 0.000 0.919 105 T CA -0.311 61.774 62.100 -0.024 0.000 1.136 105 T CB -0.083 68.775 68.868 -0.018 0.000 0.875 105 T HN 0.559 nan 8.240 nan 0.000 0.532 106 A N 4.021 126.825 122.820 -0.027 0.000 2.425 106 A HA 0.328 4.648 4.320 0.000 0.000 0.242 106 A C 0.873 178.447 177.584 -0.017 0.000 1.077 106 A CA -0.507 51.515 52.037 -0.025 0.000 0.781 106 A CB 0.254 19.235 19.000 -0.033 0.000 1.020 106 A HN 0.655 nan 8.150 nan 0.000 0.494 107 R N 1.683 122.175 120.500 -0.013 0.000 2.272 107 R HA 0.291 4.631 4.340 0.000 0.000 0.334 107 R C -0.092 176.207 176.300 -0.003 0.000 1.117 107 R CA 0.424 56.522 56.100 -0.004 0.000 0.966 107 R CB 0.165 30.464 30.300 -0.002 0.000 1.049 107 R HN 0.813 nan 8.270 nan 0.000 0.477 108 S N 1.355 117.054 115.700 -0.002 0.000 2.823 108 S HA 0.669 5.139 4.470 0.000 0.000 0.316 108 S C -0.562 174.038 174.600 0.001 0.000 1.116 108 S CA -0.385 57.815 58.200 -0.000 0.000 0.911 108 S CB 1.166 64.364 63.200 -0.003 0.000 1.276 108 S HN 0.655 nan 8.310 nan 0.000 0.565 109 S N -0.344 115.356 115.700 -0.000 0.000 2.740 109 S HA 0.570 5.040 4.470 0.000 0.000 0.300 109 S C 0.763 175.357 174.600 -0.010 0.000 1.147 109 S CA -0.502 57.696 58.200 -0.004 0.000 0.871 109 S CB 0.752 63.951 63.200 -0.002 0.000 1.173 109 S HN 0.426 nan 8.310 nan 0.000 0.510 110 V N 1.292 121.195 119.914 -0.018 0.000 2.295 110 V HA -0.008 4.112 4.120 0.000 0.000 0.246 110 V C 2.676 178.762 176.094 -0.013 0.000 1.049 110 V CA 2.630 64.914 62.300 -0.026 0.000 1.024 110 V CB -1.439 30.357 31.823 -0.045 0.000 0.648 110 V HN 1.055 nan 8.190 nan 0.000 0.447 111 G N -1.370 107.424 108.800 -0.011 0.000 2.443 111 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 111 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 111 G C 1.861 176.763 174.900 0.004 0.000 1.131 111 G CA 1.264 46.361 45.100 -0.006 0.000 0.775 111 G HN 0.526 nan 8.290 nan 0.000 0.547 112 S N 0.058 115.761 115.700 0.005 0.000 2.326 112 S HA -0.118 4.352 4.470 0.000 0.000 0.211 112 S C 2.518 177.129 174.600 0.017 0.000 1.031 112 S CA 1.706 59.913 58.200 0.011 0.000 0.985 112 S CB -0.674 62.531 63.200 0.009 0.000 0.961 112 S HN 0.148 nan 8.310 nan 0.000 0.436 113 V N 2.776 122.696 119.914 0.010 0.000 2.277 113 V HA -0.238 3.882 4.120 0.000 0.000 0.253 113 V C 2.843 178.955 176.094 0.031 0.000 1.067 113 V CA 2.477 64.783 62.300 0.011 0.000 1.047 113 V CB -2.208 29.611 31.823 -0.006 0.000 0.649 113 V HN 0.897 nan 8.190 nan 0.000 0.447 114 T N -2.471 112.107 114.554 0.040 0.000 3.155 114 T HA -0.114 4.236 4.350 0.000 0.000 0.264 114 T C 1.404 176.189 174.700 0.142 0.000 1.160 114 T CA 1.792 63.951 62.100 0.099 0.000 1.075 114 T CB -0.566 68.356 68.868 0.090 0.000 0.921 114 T HN 1.082 nan 8.240 nan 0.000 0.533 115 T N 0.149 114.752 114.554 0.082 0.000 10.665 115 T HA -0.333 4.017 4.350 0.000 0.000 0.384 115 T C 1.230 175.936 174.700 0.010 0.000 1.689 115 T CA 1.345 63.478 62.100 0.056 0.000 2.678 115 T CB -2.308 66.608 68.868 0.080 0.000 2.663 115 T HN 0.524 nan 8.240 nan 0.000 0.987 116 L N 1.126 122.348 121.223 -0.002 0.000 2.081 116 L HA -0.115 4.225 4.340 0.000 0.000 0.212 116 L C 3.008 179.856 176.870 -0.036 0.000 1.080 116 L CA 1.997 56.812 54.840 -0.041 0.000 0.754 116 L CB -1.158 40.875 42.059 -0.043 0.000 0.893 116 L HN 0.445 nan 8.230 nan 0.000 0.433 117 S N 0.600 116.290 115.700 -0.018 0.000 2.404 117 S HA -0.316 4.154 4.470 0.000 0.000 0.230 117 S C 1.741 176.330 174.600 -0.017 0.000 1.046 117 S CA 2.357 60.548 58.200 -0.016 0.000 1.135 117 S CB -0.627 62.571 63.200 -0.003 0.000 1.056 117 S HN 0.566 nan 8.310 nan 0.000 0.426 118 N N 0.860 119.558 118.700 -0.004 0.000 2.334 118 N HA -0.091 4.649 4.740 0.000 0.000 0.187 118 N C 1.535 177.034 175.510 -0.018 0.000 1.016 118 N CA 0.738 53.789 53.050 0.003 0.000 0.879 118 N CB -0.255 38.241 38.487 0.014 0.000 0.965 118 N HN 0.233 nan 8.380 nan 0.000 0.438 119 L N 0.047 121.245 121.223 -0.042 0.000 2.313 119 L HA 0.046 4.386 4.340 0.000 0.000 0.214 119 L C 1.275 178.090 176.870 -0.092 0.000 1.119 119 L CA 1.056 55.854 54.840 -0.069 0.000 0.809 119 L CB -0.612 41.389 42.059 -0.098 0.000 0.933 119 L HN 0.480 nan 8.230 nan 0.000 0.449 120 L N -4.555 116.616 121.223 -0.086 0.000 2.817 120 L HA 0.268 4.608 4.340 0.000 0.000 0.248 120 L C 2.066 178.877 176.870 -0.100 0.000 1.133 120 L CA 0.449 55.222 54.840 -0.111 0.000 0.935 120 L CB -0.491 41.500 42.059 -0.112 0.000 1.266 120 L HN -0.140 nan 8.230 nan 0.000 0.535 121 R N 0.168 120.609 120.500 -0.098 0.000 2.083 121 R HA -0.060 4.280 4.340 0.000 0.000 0.237 121 R C 2.033 178.253 176.300 -0.135 0.000 1.137 121 R CA 2.219 58.225 56.100 -0.158 0.000 0.951 121 R CB -0.615 29.721 30.300 0.061 0.000 0.851 121 R HN 0.398 nan 8.270 nan 0.000 0.434 122 M N 0.494 120.065 119.600 -0.047 0.000 2.346 122 M HA -0.153 4.327 4.480 0.000 0.000 0.263 122 M C 2.235 178.486 176.300 -0.081 0.000 1.064 122 M CA 1.276 56.563 55.300 -0.021 0.000 1.083 122 M CB -0.087 32.503 32.600 -0.016 0.000 1.399 122 M HN 0.251 nan 8.290 nan 0.000 0.435 123 L N -1.527 119.592 121.223 -0.173 0.000 2.168 123 L HA -0.088 4.252 4.340 0.000 0.000 0.203 123 L C 2.055 178.740 176.870 -0.308 0.000 1.078 123 L CA 0.918 55.592 54.840 -0.276 0.000 0.780 123 L CB -0.272 41.519 42.059 -0.448 0.000 0.939 123 L HN 0.075 nan 8.230 nan 0.000 0.451 124 Y N -0.343 119.681 120.300 -0.461 0.000 2.207 124 Y HA -0.286 4.264 4.550 0.000 0.000 0.287 124 Y C 3.090 178.793 175.900 -0.328 0.000 1.156 124 Y CA 1.940 59.707 58.100 -0.554 0.000 1.182 124 Y CB -0.282 37.535 38.460 -1.070 0.000 0.979 124 Y HN 0.340 nan 8.280 nan 0.000 0.521 125 S N 0.155 115.832 115.700 -0.039 0.000 2.335 125 S HA -0.160 4.310 4.470 0.000 0.000 0.217 125 S C 1.899 176.672 174.600 0.288 0.000 1.032 125 S CA 1.306 59.747 58.200 0.402 0.000 0.985 125 S CB -0.075 63.383 63.200 0.431 0.000 0.896 125 S HN 0.338 nan 8.310 nan 0.000 0.445 126 R N 0.599 121.175 120.500 0.128 0.000 2.317 126 R HA 0.534 4.874 4.340 0.000 0.000 0.208 126 R C 0.515 176.854 176.300 0.065 0.000 0.914 126 R CA 0.567 56.718 56.100 0.085 0.000 1.060 126 R CB 0.432 30.763 30.300 0.053 0.000 1.015 126 R HN 0.437 nan 8.270 nan 0.000 0.498 127 A N -0.976 121.879 122.820 0.058 0.000 3.005 127 A HA 0.778 5.098 4.320 0.000 0.000 0.282 127 A C -0.454 177.182 177.584 0.087 0.000 1.218 127 A CA -0.440 51.632 52.037 0.058 0.000 0.703 127 A CB 0.125 19.111 19.000 -0.024 0.000 1.387 127 A HN 0.226 nan 8.150 nan 0.000 0.592 128 G N -0.287 108.553 108.800 0.067 0.000 2.757 128 G HA2 0.091 4.051 3.960 0.000 0.000 0.686 128 G HA3 0.091 4.051 3.960 0.000 0.000 0.686 128 G C -1.074 173.888 174.900 0.103 0.000 1.452 128 G CA -0.041 45.096 45.100 0.060 0.000 0.922 128 G HN 0.852 nan 8.290 nan 0.000 0.588 129 D N 0.347 120.771 120.400 0.040 0.000 2.308 129 D HA 0.487 5.127 4.640 0.000 0.000 0.251 129 D C -0.088 176.230 176.300 0.031 0.000 1.127 129 D CA 0.555 54.599 54.000 0.074 0.000 0.876 129 D CB 0.972 41.789 40.800 0.027 0.000 1.176 129 D HN 0.327 nan 8.370 nan 0.000 0.446 130 Y N 1.218 121.555 120.300 0.062 0.000 2.446 130 Y HA 0.325 4.875 4.550 0.000 0.000 0.338 130 Y C -1.773 174.153 175.900 0.042 0.000 1.055 130 Y CA -1.855 56.282 58.100 0.062 0.000 1.101 130 Y CB 1.730 40.219 38.460 0.048 0.000 1.221 130 Y HN 0.183 nan 8.280 nan 0.000 0.460 131 P HA 0.289 nan 4.420 nan 0.000 0.288 131 P C -2.296 175.074 177.300 0.117 0.000 1.267 131 P CA -1.680 61.489 63.100 0.116 0.000 0.815 131 P CB 1.057 32.804 31.700 0.078 0.000 0.989 132 P HA -0.323 nan 4.420 nan 0.000 0.222 132 P C 1.603 178.930 177.300 0.045 0.000 1.147 132 P CA 2.538 65.670 63.100 0.053 0.000 0.958 132 P CB -0.732 30.990 31.700 0.037 0.000 0.788 133 G N -0.551 108.276 108.800 0.044 0.000 2.529 133 G HA2 -0.292 3.669 3.960 0.000 0.000 0.219 133 G HA3 -0.292 3.669 3.960 0.000 0.000 0.219 133 G C 0.882 175.804 174.900 0.036 0.000 1.177 133 G CA 0.525 45.645 45.100 0.034 0.000 0.773 133 G HN 0.395 nan 8.290 nan 0.000 0.573 134 Q N 0.890 120.735 119.800 0.075 0.000 2.289 134 Q HA 0.438 4.778 4.340 0.000 0.000 0.273 134 Q C 1.049 177.059 176.000 0.016 0.000 1.029 134 Q CA 0.006 55.870 55.803 0.101 0.000 0.896 134 Q CB 0.839 29.722 28.738 0.242 0.000 1.182 134 Q HN 0.284 nan 8.270 nan 0.000 0.385 135 G N 2.901 111.678 108.800 -0.038 0.000 2.514 135 G HA2 0.209 4.169 3.960 0.000 0.000 0.245 135 G HA3 0.209 4.169 3.960 0.000 0.000 0.245 135 G C -0.431 174.307 174.900 -0.270 0.000 1.488 135 G CA -0.669 44.342 45.100 -0.149 0.000 1.063 135 G HN 0.625 nan 8.290 nan 0.000 0.557 136 I N -0.264 120.121 120.570 -0.308 0.000 2.441 136 I HA 0.192 4.362 4.170 0.000 0.000 0.287 136 I C 0.182 176.149 176.117 -0.251 0.000 1.049 136 I CA 0.235 61.298 61.300 -0.395 0.000 1.381 136 I CB 1.663 39.338 38.000 -0.542 0.000 1.409 136 I HN -0.055 nan 8.210 nan 0.000 0.523 137 V N 7.952 127.865 119.914 -0.001 0.000 2.383 137 V HA 0.237 4.358 4.120 0.000 0.000 0.275 137 V C -0.059 175.998 176.094 -0.061 0.000 1.036 137 V CA -0.581 61.679 62.300 -0.066 0.000 0.889 137 V CB 0.277 31.988 31.823 -0.187 0.000 0.985 137 V HN 0.413 nan 8.190 nan 0.000 0.459 138 Y N 2.545 122.885 120.300 0.066 0.000 2.220 138 Y HA 0.323 4.873 4.550 0.000 0.000 0.347 138 Y C 1.640 177.671 175.900 0.218 0.000 1.311 138 Y CA 0.617 58.794 58.100 0.129 0.000 1.593 138 Y CB 0.496 38.999 38.460 0.071 0.000 1.419 138 Y HN 0.618 nan 8.280 nan 0.000 0.614 139 A N 0.456 123.529 122.820 0.422 0.000 1.898 139 A HA -0.144 4.176 4.320 0.000 0.000 0.216 139 A C 1.869 179.650 177.584 0.329 0.000 1.181 139 A CA 1.540 53.820 52.037 0.406 0.000 0.620 139 A CB -0.720 18.426 19.000 0.244 0.000 0.819 139 A HN 0.800 nan 8.150 nan 0.000 0.442 140 E N 0.676 121.006 120.200 0.218 0.000 2.510 140 E HA -0.053 4.297 4.350 0.000 0.000 0.202 140 E C 1.367 178.027 176.600 0.100 0.000 1.072 140 E CA 1.109 57.590 56.400 0.136 0.000 0.883 140 E CB -0.667 29.084 29.700 0.085 0.000 0.818 140 E HN 0.433 nan 8.360 nan 0.000 0.548 141 G N -0.113 108.736 108.800 0.081 0.000 2.986 141 G HA2 0.022 3.982 3.960 0.000 0.000 0.213 141 G HA3 0.022 3.982 3.960 0.000 0.000 0.213 141 G C 0.415 175.192 174.900 -0.203 0.000 1.156 141 G CA -0.412 44.644 45.100 -0.074 0.000 0.763 141 G HN 0.178 nan 8.290 nan 0.000 0.547 142 F N 1.880 121.838 119.950 0.013 0.000 2.898 142 F HA 0.429 4.956 4.527 0.000 0.000 0.290 142 F C 0.964 176.743 175.800 -0.034 0.000 1.195 142 F CA -0.360 57.618 58.000 -0.036 0.000 1.387 142 F CB 0.570 39.536 39.000 -0.058 0.000 0.976 142 F HN 0.073 nan 8.300 nan 0.000 0.510 143 S N -0.125 115.637 115.700 0.104 0.000 2.541 143 S HA 0.460 4.930 4.470 0.000 0.000 0.280 143 S C -2.402 172.221 174.600 0.037 0.000 1.112 143 S CA -1.551 56.690 58.200 0.069 0.000 0.925 143 S CB 2.010 65.250 63.200 0.067 0.000 1.067 143 S HN -0.108 nan 8.310 nan 0.000 0.479 144 P HA 0.166 nan 4.420 nan 0.000 0.241 144 P C 0.236 177.553 177.300 0.029 0.000 1.191 144 P CA 0.370 63.486 63.100 0.026 0.000 0.771 144 P CB -0.046 31.672 31.700 0.029 0.000 0.929 145 N N -0.661 118.056 118.700 0.028 0.000 2.270 145 N HA 0.035 4.775 4.740 0.000 0.000 0.198 145 N C 0.464 175.988 175.510 0.022 0.000 1.117 145 N CA 0.454 53.518 53.050 0.024 0.000 0.845 145 N CB 0.100 38.600 38.487 0.020 0.000 0.980 145 N HN 0.236 nan 8.380 nan 0.000 0.486 146 T N -2.492 112.076 114.554 0.023 0.000 2.940 146 T HA 0.417 4.767 4.350 0.000 0.000 0.288 146 T C -2.118 172.594 174.700 0.019 0.000 1.033 146 T CA -1.826 60.286 62.100 0.020 0.000 1.033 146 T CB 2.682 71.563 68.868 0.023 0.000 1.079 146 T HN -0.312 nan 8.240 nan 0.000 0.496 147 P HA -0.094 nan 4.420 nan 0.000 0.218 147 P C 1.577 178.883 177.300 0.009 0.000 1.149 147 P CA 0.803 63.915 63.100 0.020 0.000 0.817 147 P CB 0.107 31.819 31.700 0.020 0.000 0.785 148 E N -0.270 119.934 120.200 0.007 0.000 2.274 148 E HA -0.060 4.290 4.350 0.000 0.000 0.194 148 E C 1.982 178.565 176.600 -0.028 0.000 0.996 148 E CA 1.622 58.020 56.400 -0.003 0.000 0.840 148 E CB -1.393 28.315 29.700 0.014 0.000 0.772 148 E HN 0.229 nan 8.360 nan 0.000 0.491 149 G N 1.814 110.603 108.800 -0.017 0.000 2.508 149 G HA2 0.152 4.112 3.960 0.000 0.000 0.212 149 G HA3 0.152 4.112 3.960 0.000 0.000 0.212 149 G C 0.791 175.675 174.900 -0.027 0.000 1.206 149 G CA 0.579 45.661 45.100 -0.031 0.000 0.822 149 G HN 0.473 nan 8.290 nan 0.000 0.550 150 A N 0.203 123.020 122.820 -0.004 0.000 2.566 150 A HA 0.311 4.631 4.320 0.000 0.000 0.245 150 A C 1.056 178.626 177.584 -0.023 0.000 1.056 150 A CA 0.203 52.240 52.037 0.001 0.000 0.757 150 A CB -0.670 18.348 19.000 0.031 0.000 0.979 150 A HN 1.172 nan 8.150 nan 0.000 0.508 151 C N 5.190 124.468 119.300 -0.037 0.000 2.523 151 C HA 0.250 4.710 4.460 0.000 0.000 0.406 151 C C -0.921 174.006 174.990 -0.104 0.000 1.449 151 C CA -0.919 58.059 59.018 -0.067 0.000 1.588 151 C CB -0.346 27.352 27.740 -0.071 0.000 2.514 151 C HN 0.722 nan 8.230 nan 0.000 0.606 152 P HA -0.072 nan 4.420 nan 0.000 0.223 152 P C 1.324 178.413 177.300 -0.351 0.000 1.151 152 P CA 1.359 64.355 63.100 -0.174 0.000 0.787 152 P CB 0.004 31.648 31.700 -0.094 0.000 0.788 153 E N -0.288 119.750 120.200 -0.270 0.000 2.112 153 E HA -0.136 4.214 4.350 0.000 0.000 0.190 153 E C 1.121 177.498 176.600 -0.372 0.000 0.979 153 E CA 1.414 57.651 56.400 -0.272 0.000 0.814 153 E CB -0.218 29.393 29.700 -0.149 0.000 0.762 153 E HN 0.318 nan 8.360 nan 0.000 0.460 154 C N -1.835 117.289 119.300 -0.293 0.000 3.183 154 C HA 0.458 4.918 4.460 0.000 0.000 0.285 154 C C 0.220 175.233 174.990 0.039 0.000 1.313 154 C CA 0.066 59.041 59.018 -0.071 0.000 1.711 154 C CB -1.266 26.479 27.740 0.008 0.000 2.135 154 C HN 0.573 nan 8.230 nan 0.000 0.651 155 H N 0.676 119.776 119.070 0.050 0.000 2.936 155 H HA -0.007 4.549 4.556 0.000 0.000 0.276 155 H C 1.497 176.853 175.328 0.046 0.000 1.216 155 H CA 1.269 57.345 56.048 0.046 0.000 1.132 155 H CB -1.689 28.109 29.762 0.059 0.000 1.303 155 H HN 1.182 nan 8.280 nan 0.000 0.370 156 G N -1.248 107.596 108.800 0.073 0.000 2.195 156 G HA2 -0.362 3.598 3.960 0.000 0.000 0.246 156 G HA3 -0.362 3.598 3.960 0.000 0.000 0.246 156 G C 1.159 176.106 174.900 0.078 0.000 0.984 156 G CA 0.347 45.482 45.100 0.058 0.000 0.633 156 G HN 0.427 nan 8.290 nan 0.000 0.525 157 L N -0.197 121.101 121.223 0.125 0.000 1.955 157 L HA 0.260 4.600 4.340 0.000 0.000 0.213 157 L C 2.626 179.565 176.870 0.116 0.000 1.072 157 L CA 2.685 57.617 54.840 0.153 0.000 0.755 157 L CB -0.478 41.739 42.059 0.263 0.000 0.888 157 L HN 1.072 nan 8.230 nan 0.000 0.432 158 G N -1.054 107.804 108.800 0.096 0.000 3.110 158 G HA2 -0.084 3.876 3.960 0.000 0.000 0.205 158 G HA3 -0.084 3.876 3.960 0.000 0.000 0.205 158 G C 0.153 175.071 174.900 0.029 0.000 1.019 158 G CA -0.031 45.103 45.100 0.057 0.000 0.826 158 G HN 0.411 nan 8.290 nan 0.000 0.481 159 R N -0.448 120.081 120.500 0.048 0.000 2.663 159 R HA 0.736 5.076 4.340 0.000 0.000 0.267 159 R C -1.410 174.855 176.300 -0.057 0.000 1.038 159 R CA -0.869 55.195 56.100 -0.060 0.000 0.886 159 R CB 1.678 31.874 30.300 -0.173 0.000 1.249 159 R HN 0.125 nan 8.270 nan 0.000 0.463 160 V N 1.872 121.702 119.914 -0.140 0.000 2.644 160 V HA 0.391 4.511 4.120 0.000 0.000 0.295 160 V C -1.023 174.922 176.094 -0.249 0.000 1.053 160 V CA -0.397 61.877 62.300 -0.043 0.000 0.987 160 V CB 1.009 32.820 31.823 -0.019 0.000 1.006 160 V HN 0.573 nan 8.190 nan 0.000 0.472 161 Y N 1.756 122.039 120.300 -0.029 0.000 2.331 161 Y HA 0.576 5.126 4.550 0.000 0.000 0.334 161 Y C 0.629 176.507 175.900 -0.037 0.000 0.960 161 Y CA -0.797 57.252 58.100 -0.086 0.000 1.130 161 Y CB 1.839 40.152 38.460 -0.245 0.000 1.164 161 Y HN 0.745 nan 8.280 nan 0.000 0.458 162 T N -0.726 113.881 114.554 0.089 0.000 2.949 162 T HA 0.781 5.131 4.350 0.000 0.000 0.287 162 T C -0.995 173.772 174.700 0.111 0.000 1.034 162 T CA -0.975 61.185 62.100 0.100 0.000 1.018 162 T CB 2.004 70.919 68.868 0.079 0.000 1.135 162 T HN 0.387 nan 8.240 nan 0.000 0.532 163 V N 0.902 120.909 119.914 0.156 0.000 2.604 163 V HA 0.783 4.903 4.120 0.000 0.000 0.305 163 V C -0.498 175.754 176.094 0.264 0.000 1.043 163 V CA -0.219 62.177 62.300 0.160 0.000 0.888 163 V CB 1.925 33.813 31.823 0.110 0.000 0.995 163 V HN 1.321 nan 8.190 nan 0.000 0.429 164 T N 2.804 117.464 114.554 0.176 0.000 2.991 164 T HA 0.295 4.645 4.350 0.000 0.000 0.303 164 T C 0.752 175.523 174.700 0.118 0.000 1.015 164 T CA 0.135 62.376 62.100 0.237 0.000 1.007 164 T CB 1.638 70.601 68.868 0.159 0.000 1.034 164 T HN 0.894 nan 8.240 nan 0.000 0.446 165 E N 2.487 122.803 120.200 0.192 0.000 2.172 165 E HA -0.317 4.033 4.350 0.000 0.000 0.213 165 E C 0.793 177.371 176.600 -0.036 0.000 1.051 165 E CA 2.560 58.986 56.400 0.043 0.000 0.860 165 E CB 0.010 29.845 29.700 0.226 0.000 0.755 165 E HN 0.752 nan 8.360 nan 0.000 0.462 166 D N -0.570 119.847 120.400 0.029 0.000 2.144 166 D HA -0.140 4.500 4.640 0.000 0.000 0.199 166 D C 2.191 178.484 176.300 -0.012 0.000 0.984 166 D CA 1.518 55.521 54.000 0.005 0.000 0.834 166 D CB -0.388 40.433 40.800 0.034 0.000 0.955 166 D HN 0.313 nan 8.370 nan 0.000 0.465 167 S N 0.102 115.809 115.700 0.012 0.000 2.325 167 S HA -0.156 4.314 4.470 0.000 0.000 0.213 167 S C 2.138 176.735 174.600 -0.006 0.000 1.031 167 S CA 0.844 59.077 58.200 0.055 0.000 0.984 167 S CB -0.592 62.665 63.200 0.094 0.000 0.939 167 S HN 0.107 nan 8.310 nan 0.000 0.438 168 M N 1.085 120.607 119.600 -0.130 0.000 2.308 168 M HA -0.104 4.377 4.480 0.000 0.000 0.257 168 M C 1.177 177.151 176.300 -0.544 0.000 1.070 168 M CA 1.997 57.048 55.300 -0.416 0.000 1.080 168 M CB -0.468 31.882 32.600 -0.416 0.000 1.274 168 M HN 0.408 nan 8.290 nan 0.000 0.434 169 V N 1.099 120.744 119.914 -0.449 0.000 2.284 169 V HA 0.223 4.343 4.120 0.000 0.000 0.274 169 V C -2.256 173.666 176.094 -0.287 0.000 1.023 169 V CA -1.565 60.442 62.300 -0.488 0.000 0.808 169 V CB 1.174 32.491 31.823 -0.842 0.000 1.035 169 V HN 0.073 nan 8.190 nan 0.000 0.445 170 P HA 0.132 nan 4.420 nan 0.000 0.220 170 P C -0.002 177.253 177.300 -0.074 0.000 1.154 170 P CA 0.699 63.745 63.100 -0.090 0.000 0.830 170 P CB 0.291 31.967 31.700 -0.039 0.000 0.803 171 D N -0.051 120.292 120.400 -0.095 0.000 2.464 171 D HA 0.202 4.842 4.640 0.000 0.000 0.243 171 D C -2.154 174.102 176.300 -0.072 0.000 1.104 171 D CA -2.316 51.650 54.000 -0.057 0.000 0.883 171 D CB 0.795 41.573 40.800 -0.037 0.000 1.050 171 D HN -0.002 nan 8.370 nan 0.000 0.524 172 P HA 0.111 nan 4.420 nan 0.000 0.258 172 P C 0.626 178.006 177.300 0.134 0.000 1.416 172 P CA 0.047 63.174 63.100 0.044 0.000 0.927 172 P CB 0.284 32.079 31.700 0.157 0.000 1.444 173 S N -1.290 114.453 115.700 0.073 0.000 2.470 173 S HA 0.096 4.566 4.470 0.000 0.000 0.222 173 S C 0.782 175.425 174.600 0.072 0.000 1.024 173 S CA -0.071 58.174 58.200 0.075 0.000 0.931 173 S CB -0.902 62.327 63.200 0.047 0.000 0.791 173 S HN 0.000 nan 8.310 nan 0.000 0.513 174 L N 3.074 124.329 121.223 0.053 0.000 2.456 174 L HA 0.221 4.561 4.340 0.000 0.000 0.272 174 L C 0.639 177.556 176.870 0.078 0.000 1.189 174 L CA 0.090 54.959 54.840 0.047 0.000 0.846 174 L CB 0.056 42.125 42.059 0.018 0.000 1.111 174 L HN 0.053 nan 8.230 nan 0.000 0.475 175 T N 3.752 118.348 114.554 0.070 0.000 2.933 175 T HA -0.000 4.350 4.350 0.000 0.000 0.306 175 T C 1.780 176.536 174.700 0.092 0.000 1.045 175 T CA 0.123 62.272 62.100 0.082 0.000 1.143 175 T CB 0.208 69.113 68.868 0.061 0.000 1.003 175 T HN 0.391 nan 8.240 nan 0.000 0.540 176 I N 2.169 122.817 120.570 0.130 0.000 2.208 176 I HA -0.205 3.965 4.170 0.000 0.000 0.245 176 I C 2.764 178.954 176.117 0.121 0.000 1.097 176 I CA 1.365 62.755 61.300 0.149 0.000 1.363 176 I CB -0.424 37.706 38.000 0.217 0.000 1.051 176 I HN 0.620 nan 8.210 nan 0.000 0.413 177 R N 1.432 121.990 120.500 0.097 0.000 2.120 177 R HA -0.153 4.187 4.340 0.000 0.000 0.234 177 R C 1.468 177.800 176.300 0.052 0.000 1.123 177 R CA 1.368 57.510 56.100 0.070 0.000 0.975 177 R CB -0.025 30.308 30.300 0.056 0.000 0.866 177 R HN 0.457 nan 8.270 nan 0.000 0.446 178 E N 0.360 120.590 120.200 0.050 0.000 2.445 178 E HA 0.051 4.401 4.350 0.000 0.000 0.189 178 E C -0.707 175.910 176.600 0.028 0.000 1.069 178 E CA -0.160 56.261 56.400 0.035 0.000 0.871 178 E CB 0.194 29.913 29.700 0.032 0.000 0.991 178 E HN 0.152 nan 8.360 nan 0.000 0.481 179 R N -0.563 119.958 120.500 0.035 0.000 2.448 179 R HA -0.199 4.142 4.340 0.000 0.000 0.336 179 R C 0.014 176.298 176.300 -0.027 0.000 1.038 179 R CA 0.334 56.445 56.100 0.018 0.000 0.804 179 R CB -1.294 29.017 30.300 0.019 0.000 2.350 179 R HN 0.308 nan 8.270 nan 0.000 0.484 180 A N 1.623 124.405 122.820 -0.064 0.000 2.382 180 A HA 0.200 4.520 4.320 0.000 0.000 0.228 180 A C 0.672 178.063 177.584 -0.321 0.000 1.217 180 A CA 0.468 52.416 52.037 -0.147 0.000 0.923 180 A CB 1.048 19.990 19.000 -0.098 0.000 0.979 180 A HN 0.323 nan 8.150 nan 0.000 0.515 181 V N 0.844 120.567 119.914 -0.318 0.000 2.370 181 V HA 0.495 4.615 4.120 0.000 0.000 0.279 181 V C 1.348 177.197 176.094 -0.409 0.000 1.280 181 V CA 0.367 62.359 62.300 -0.514 0.000 1.392 181 V CB -0.328 31.128 31.823 -0.612 0.000 1.464 181 V HN 0.498 nan 8.190 nan 0.000 0.525 182 A N 3.185 125.755 122.820 -0.417 0.000 2.032 182 A HA -0.118 4.202 4.320 0.000 0.000 0.221 182 A C 2.396 179.637 177.584 -0.572 0.000 1.165 182 A CA 2.051 53.865 52.037 -0.371 0.000 0.645 182 A CB -0.380 18.443 19.000 -0.295 0.000 0.807 182 A HN 1.240 nan 8.150 nan 0.000 0.453 183 A N -0.728 121.577 122.820 -0.859 0.000 1.884 183 A HA -0.153 4.167 4.320 0.000 0.000 0.219 183 A C 0.999 178.560 177.584 -0.038 0.000 1.197 183 A CA 1.009 52.689 52.037 -0.595 0.000 0.637 183 A CB -0.879 17.814 19.000 -0.511 0.000 0.827 183 A HN 0.632 nan 8.150 nan 0.000 0.450 184 W N 0.736 121.882 121.300 -0.258 0.000 2.253 184 W HA 0.206 4.866 4.660 0.000 0.000 0.348 184 W C -2.034 174.322 176.519 -0.272 0.000 1.267 184 W CA -1.402 55.747 57.345 -0.326 0.000 1.298 184 W CB -0.459 28.833 29.460 -0.280 0.000 1.181 184 W HN 0.211 nan 8.180 nan 0.000 0.585 185 P HA -0.026 nan 4.420 nan 0.000 0.272 185 P C -0.118 177.171 177.300 -0.019 0.000 1.230 185 P CA 0.137 63.172 63.100 -0.109 0.000 0.788 185 P CB 0.763 32.339 31.700 -0.208 0.000 0.949 186 Q N 0.608 120.436 119.800 0.047 0.000 2.631 186 Q HA 0.308 4.648 4.340 0.000 0.000 0.210 186 Q C 0.990 177.009 176.000 0.032 0.000 1.094 186 Q CA 0.269 56.100 55.803 0.045 0.000 1.055 186 Q CB -0.096 28.680 28.738 0.064 0.000 1.261 186 Q HN 0.692 nan 8.270 nan 0.000 0.615 187 A N -0.140 122.705 122.820 0.041 0.000 5.684 187 A HA -0.307 4.013 4.320 0.000 0.000 0.306 187 A C 0.683 178.310 177.584 0.071 0.000 1.885 187 A CA 1.910 53.987 52.037 0.067 0.000 0.721 187 A CB -1.838 17.218 19.000 0.094 0.000 1.295 187 A HN 1.076 nan 8.150 nan 0.000 0.386 188 W N 0.178 121.443 121.300 -0.058 0.000 2.298 188 W HA -0.087 4.573 4.660 0.000 0.000 0.328 188 W C 2.411 178.859 176.519 -0.118 0.000 1.259 188 W CA 4.021 61.320 57.345 -0.077 0.000 1.251 188 W CB -1.113 28.292 29.460 -0.092 0.000 1.161 188 W HN 1.144 nan 8.180 nan 0.000 0.466 189 G N -0.133 108.717 108.800 0.082 0.000 2.532 189 G HA2 -0.263 3.697 3.960 0.000 0.000 0.222 189 G HA3 -0.263 3.697 3.960 0.000 0.000 0.222 189 G C 1.487 176.104 174.900 -0.472 0.000 1.102 189 G CA 1.338 46.314 45.100 -0.207 0.000 0.742 189 G HN 0.632 nan 8.290 nan 0.000 0.577 190 G N 0.754 109.354 108.800 -0.333 0.000 2.616 190 G HA2 -0.196 3.764 3.960 0.000 0.000 0.215 190 G HA3 -0.196 3.764 3.960 0.000 0.000 0.215 190 G C 1.682 176.333 174.900 -0.415 0.000 1.284 190 G CA 1.147 46.050 45.100 -0.328 0.000 0.823 190 G HN 0.612 nan 8.290 nan 0.000 0.569 191 Q N 0.471 120.081 119.800 -0.316 0.000 2.376 191 Q HA -0.169 4.171 4.340 0.000 0.000 0.211 191 Q C 1.960 177.700 176.000 -0.433 0.000 0.986 191 Q CA 1.732 57.361 55.803 -0.290 0.000 0.886 191 Q CB -0.584 28.038 28.738 -0.192 0.000 0.927 191 Q HN 0.708 nan 8.270 nan 0.000 0.457 192 N N -0.438 117.826 118.700 -0.727 0.000 2.171 192 N HA -0.167 4.573 4.740 0.000 0.000 0.184 192 N C 1.711 176.919 175.510 -0.503 0.000 1.021 192 N CA 0.973 53.529 53.050 -0.824 0.000 0.854 192 N CB 0.091 37.639 38.487 -1.566 0.000 0.994 192 N HN 0.315 nan 8.380 nan 0.000 0.426 193 Q N 0.817 120.232 119.800 -0.642 0.000 2.230 193 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 193 Q C 2.080 177.900 176.000 -0.299 0.000 0.963 193 Q CA 0.551 56.004 55.803 -0.583 0.000 0.866 193 Q CB -0.254 27.622 28.738 -1.436 0.000 0.931 193 Q HN 0.470 nan 8.270 nan 0.000 0.452 194 R N 1.219 121.539 120.500 -0.300 0.000 2.070 194 R HA -0.147 4.193 4.340 0.000 0.000 0.233 194 R C 1.012 177.302 176.300 -0.016 0.000 1.137 194 R CA 1.685 57.761 56.100 -0.040 0.000 0.945 194 R CB -0.036 30.246 30.300 -0.030 0.000 0.845 194 R HN 0.087 nan 8.270 nan 0.000 0.430 195 D N 0.618 120.970 120.400 -0.080 0.000 2.218 195 D HA -0.127 4.513 4.640 0.000 0.000 0.204 195 D C 1.951 178.228 176.300 -0.039 0.000 0.976 195 D CA 1.000 54.968 54.000 -0.054 0.000 0.853 195 D CB -0.124 40.626 40.800 -0.084 0.000 0.939 195 D HN 0.366 nan 8.370 nan 0.000 0.481 196 I N 0.236 120.788 120.570 -0.031 0.000 2.353 196 I HA -0.183 3.987 4.170 0.000 0.000 0.248 196 I C 2.290 178.430 176.117 0.039 0.000 1.119 196 I CA 0.458 61.768 61.300 0.017 0.000 1.417 196 I CB 0.065 38.123 38.000 0.098 0.000 1.078 196 I HN -0.019 nan 8.210 nan 0.000 0.421 197 L N 0.191 121.461 121.223 0.078 0.000 1.976 197 L HA -0.186 4.154 4.340 0.000 0.000 0.209 197 L C 2.798 179.696 176.870 0.046 0.000 1.071 197 L CA 1.612 56.504 54.840 0.086 0.000 0.746 197 L CB -0.968 41.203 42.059 0.186 0.000 0.890 197 L HN 0.241 nan 8.230 nan 0.000 0.432 198 V N -2.872 117.070 119.914 0.047 0.000 2.439 198 V HA -0.295 3.825 4.120 0.000 0.000 0.253 198 V C 2.232 178.340 176.094 0.024 0.000 1.074 198 V CA 2.464 64.784 62.300 0.033 0.000 1.076 198 V CB -1.210 30.633 31.823 0.033 0.000 0.664 198 V HN 0.444 nan 8.190 nan 0.000 0.461 199 T N 0.730 115.297 114.554 0.022 0.000 2.737 199 T HA 0.057 4.407 4.350 0.000 0.000 0.265 199 T C 1.627 176.330 174.700 0.005 0.000 1.038 199 T CA 1.863 63.978 62.100 0.026 0.000 1.144 199 T CB -0.384 68.489 68.868 0.008 0.000 0.866 199 T HN 0.456 nan 8.240 nan 0.000 0.434 200 L N 0.928 122.142 121.223 -0.015 0.000 2.693 200 L HA 0.231 4.571 4.340 0.000 0.000 0.242 200 L C 1.166 178.003 176.870 -0.056 0.000 1.157 200 L CA -0.123 54.688 54.840 -0.049 0.000 0.929 200 L CB -0.616 41.391 42.059 -0.085 0.000 1.103 200 L HN 0.485 nan 8.230 nan 0.000 0.430 201 G N 1.139 109.922 108.800 -0.028 0.000 2.353 201 G HA2 -0.223 3.737 3.960 0.000 0.000 0.294 201 G HA3 -0.223 3.737 3.960 0.000 0.000 0.294 201 G C -0.273 174.608 174.900 -0.031 0.000 1.077 201 G CA -0.336 44.747 45.100 -0.028 0.000 1.098 201 G HN 0.141 nan 8.290 nan 0.000 0.511 202 I N 0.470 121.036 120.570 -0.008 0.000 2.436 202 I HA 0.283 4.453 4.170 0.000 0.000 0.289 202 I C 0.015 176.145 176.117 0.021 0.000 1.010 202 I CA -1.311 59.991 61.300 0.004 0.000 1.098 202 I CB 1.756 39.776 38.000 0.033 0.000 1.266 202 I HN 0.151 nan 8.210 nan 0.000 0.434 203 D N 6.013 126.419 120.400 0.009 0.000 2.357 203 D HA 0.041 4.682 4.640 0.000 0.000 0.265 203 D C 0.840 177.166 176.300 0.043 0.000 1.334 203 D CA 0.237 54.247 54.000 0.017 0.000 0.984 203 D CB 1.035 41.835 40.800 0.000 0.000 1.077 203 D HN 0.241 nan 8.370 nan 0.000 0.514 204 V N 2.913 122.862 119.914 0.058 0.000 3.646 204 V HA -0.025 4.095 4.120 0.000 0.000 0.277 204 V C 0.650 176.791 176.094 0.079 0.000 1.274 204 V CA 0.705 63.058 62.300 0.089 0.000 1.164 204 V CB -0.092 31.789 31.823 0.095 0.000 0.926 204 V HN 0.377 nan 8.190 nan 0.000 0.442 205 D N -1.406 119.028 120.400 0.057 0.000 2.520 205 D HA 0.207 4.847 4.640 0.000 0.000 0.223 205 D C -0.119 176.208 176.300 0.045 0.000 1.186 205 D CA 0.213 54.243 54.000 0.050 0.000 0.821 205 D CB 1.351 42.173 40.800 0.037 0.000 1.072 205 D HN 0.189 nan 8.370 nan 0.000 0.518 206 V N 2.387 122.327 119.914 0.043 0.000 2.417 206 V HA 0.343 4.463 4.120 0.000 0.000 0.291 206 V C -2.147 173.977 176.094 0.049 0.000 1.024 206 V CA -2.123 60.198 62.300 0.034 0.000 0.861 206 V CB 1.750 33.581 31.823 0.014 0.000 0.985 206 V HN -0.048 nan 8.190 nan 0.000 0.436 207 P HA -0.190 nan 4.420 nan 0.000 0.261 207 P C 0.920 178.295 177.300 0.124 0.000 1.140 207 P CA 0.567 63.725 63.100 0.097 0.000 0.757 207 P CB 0.330 32.074 31.700 0.072 0.000 0.735 208 W N 6.016 127.314 121.300 -0.003 0.000 2.262 208 W HA -0.375 4.285 4.660 0.000 0.000 0.331 208 W C 1.686 178.206 176.519 0.001 0.000 1.315 208 W CA 2.818 60.158 57.345 -0.008 0.000 1.302 208 W CB -0.839 28.603 29.460 -0.029 0.000 1.128 208 W HN 0.330 nan 8.180 nan 0.000 0.482 209 R N 0.935 121.492 120.500 0.094 0.000 2.377 209 R HA -0.079 4.261 4.340 0.000 0.000 0.207 209 R C 1.436 177.685 176.300 -0.085 0.000 1.075 209 R CA 1.677 57.772 56.100 -0.009 0.000 1.035 209 R CB -1.316 29.051 30.300 0.111 0.000 0.857 209 R HN 0.478 nan 8.270 nan 0.000 0.475 210 E N -0.039 120.104 120.200 -0.095 0.000 2.364 210 E HA 0.235 4.585 4.350 0.000 0.000 0.196 210 E C 0.334 176.868 176.600 -0.109 0.000 0.990 210 E CA -0.157 56.199 56.400 -0.073 0.000 0.886 210 E CB 0.015 29.696 29.700 -0.032 0.000 0.866 210 E HN 0.355 nan 8.360 nan 0.000 0.493 211 L N 2.574 123.686 121.223 -0.184 0.000 2.452 211 L HA 0.129 4.469 4.340 0.000 0.000 0.267 211 L C -2.186 174.585 176.870 -0.165 0.000 1.188 211 L CA -1.493 53.239 54.840 -0.181 0.000 0.821 211 L CB 0.102 42.013 42.059 -0.246 0.000 1.102 211 L HN -0.188 nan 8.230 nan 0.000 0.470 212 P HA -0.018 nan 4.420 nan 0.000 0.265 212 P C 0.160 177.412 177.300 -0.079 0.000 1.193 212 P CA -0.098 62.952 63.100 -0.082 0.000 0.765 212 P CB 0.647 32.310 31.700 -0.061 0.000 0.823 213 E N 3.574 123.742 120.200 -0.053 0.000 2.113 213 E HA -0.328 4.022 4.350 0.000 0.000 0.210 213 E C 1.138 177.774 176.600 0.060 0.000 1.040 213 E CA 2.369 58.760 56.400 -0.016 0.000 0.847 213 E CB -0.621 29.073 29.700 -0.010 0.000 0.755 213 E HN 0.542 nan 8.360 nan 0.000 0.459 214 E N -0.647 119.592 120.200 0.065 0.000 2.038 214 E HA -0.184 4.166 4.350 0.000 0.000 0.195 214 E C 2.238 178.933 176.600 0.157 0.000 1.000 214 E CA 2.077 58.559 56.400 0.138 0.000 0.803 214 E CB -0.351 29.387 29.700 0.063 0.000 0.750 214 E HN 0.393 nan 8.360 nan 0.000 0.448 215 T N 1.130 115.714 114.554 0.049 0.000 2.857 215 T HA -0.114 4.236 4.350 0.000 0.000 0.266 215 T C 1.743 176.495 174.700 0.087 0.000 1.048 215 T CA 1.440 63.566 62.100 0.043 0.000 1.139 215 T CB -0.209 68.627 68.868 -0.054 0.000 0.874 215 T HN 0.269 nan 8.240 nan 0.000 0.455 216 R N 0.607 121.071 120.500 -0.060 0.000 2.275 216 R HA 0.135 4.475 4.340 0.000 0.000 0.199 216 R C 2.196 178.519 176.300 0.038 0.000 0.989 216 R CA 0.645 56.584 56.100 -0.268 0.000 1.016 216 R CB -0.647 29.161 30.300 -0.821 0.000 0.918 216 R HN 0.554 nan 8.270 nan 0.000 0.473 217 H N 0.469 119.613 119.070 0.123 0.000 2.266 217 H HA -0.162 4.394 4.556 0.000 0.000 0.309 217 H C 1.602 177.154 175.328 0.372 0.000 1.054 217 H CA 1.384 57.615 56.048 0.304 0.000 1.328 217 H CB -0.467 29.435 29.762 0.233 0.000 1.407 217 H HN 0.295 nan 8.280 nan 0.000 0.508 218 W N 1.945 123.121 121.300 -0.207 0.000 2.278 218 W HA -0.359 4.301 4.660 0.000 0.000 0.339 218 W C 2.420 178.937 176.519 -0.003 0.000 1.348 218 W CA 3.124 60.350 57.345 -0.198 0.000 1.289 218 W CB -0.843 28.567 29.460 -0.083 0.000 1.124 218 W HN 0.325 nan 8.180 nan 0.000 0.469 219 I N -0.098 120.540 120.570 0.114 0.000 2.087 219 I HA -0.359 3.811 4.170 0.000 0.000 0.240 219 I C 2.440 178.512 176.117 -0.073 0.000 1.054 219 I CA 1.937 63.228 61.300 -0.016 0.000 1.311 219 I CB -1.148 37.013 38.000 0.268 0.000 1.024 219 I HN 0.116 nan 8.210 nan 0.000 0.402 220 L N -0.868 120.332 121.223 -0.039 0.000 2.456 220 L HA -0.104 4.236 4.340 0.000 0.000 0.224 220 L C 1.191 177.727 176.870 -0.558 0.000 1.148 220 L CA 1.809 56.470 54.840 -0.300 0.000 0.825 220 L CB -0.080 41.895 42.059 -0.139 0.000 0.937 220 L HN 0.136 nan 8.230 nan 0.000 0.450 221 F N -3.044 116.832 119.950 -0.124 0.000 2.964 221 F HA 0.239 4.766 4.527 0.000 0.000 0.371 221 F C 1.061 176.763 175.800 -0.163 0.000 1.026 221 F CA -0.384 57.554 58.000 -0.103 0.000 1.106 221 F CB -0.178 38.827 39.000 0.007 0.000 1.135 221 F HN -0.283 nan 8.300 nan 0.000 0.557 222 T N 0.571 115.031 114.554 -0.156 0.000 2.918 222 T HA 0.061 4.411 4.350 0.000 0.000 0.302 222 T C 0.180 174.838 174.700 -0.070 0.000 1.045 222 T CA -0.025 61.966 62.100 -0.182 0.000 1.114 222 T CB 0.381 68.929 68.868 -0.532 0.000 0.965 222 T HN -0.052 nan 8.240 nan 0.000 0.540 223 D N 4.541 124.947 120.400 0.010 0.000 3.057 223 D HA 0.272 4.912 4.640 0.000 0.000 0.246 223 D C 0.119 176.453 176.300 0.057 0.000 1.238 223 D CA 0.187 54.208 54.000 0.035 0.000 0.949 223 D CB 0.177 41.012 40.800 0.059 0.000 1.086 223 D HN 0.592 nan 8.370 nan 0.000 0.487 224 E N 0.353 120.586 120.200 0.054 0.000 2.369 224 E HA 0.353 4.703 4.350 0.000 0.000 0.270 224 E C -0.448 176.266 176.600 0.190 0.000 0.909 224 E CA -0.785 55.701 56.400 0.143 0.000 0.775 224 E CB 1.971 31.825 29.700 0.256 0.000 1.270 224 E HN -0.033 nan 8.360 nan 0.000 0.445 225 Q N 1.558 121.486 119.800 0.214 0.000 3.255 225 Q HA 0.311 4.651 4.340 0.000 0.000 0.231 225 Q C -2.614 173.514 176.000 0.214 0.000 0.935 225 Q CA -1.739 54.192 55.803 0.212 0.000 0.714 225 Q CB 1.358 30.163 28.738 0.112 0.000 1.345 225 Q HN 0.276 nan 8.270 nan 0.000 0.463 226 P HA 0.191 nan 4.420 nan 0.000 0.287 226 P C -0.033 177.366 177.300 0.165 0.000 1.294 226 P CA -0.462 62.754 63.100 0.193 0.000 0.776 226 P CB 1.170 32.984 31.700 0.190 0.000 0.889 227 V N 4.427 124.408 119.914 0.111 0.000 2.229 227 V HA 0.077 4.197 4.120 0.000 0.000 0.245 227 V C 0.712 176.841 176.094 0.059 0.000 1.243 227 V CA -0.444 61.908 62.300 0.087 0.000 1.176 227 V CB -0.434 31.428 31.823 0.066 0.000 1.323 227 V HN 0.349 nan 8.190 nan 0.000 0.499 228 V N 3.576 123.525 119.914 0.059 0.000 2.539 228 V HA 0.579 4.699 4.120 0.000 0.000 0.292 228 V C -2.035 174.029 176.094 -0.051 0.000 1.045 228 V CA -2.650 59.656 62.300 0.011 0.000 0.945 228 V CB 1.351 33.183 31.823 0.015 0.000 0.993 228 V HN 0.502 nan 8.190 nan 0.000 0.464 229 P HA 0.296 nan 4.420 nan 0.000 0.271 229 P C -0.745 176.327 177.300 -0.381 0.000 1.216 229 P CA 0.041 62.984 63.100 -0.262 0.000 0.776 229 P CB 1.218 32.773 31.700 -0.242 0.000 0.881 230 V N 1.511 121.051 119.914 -0.623 0.000 2.686 230 V HA 0.443 4.563 4.120 0.000 0.000 0.306 230 V C -1.145 174.470 176.094 -0.799 0.000 1.065 230 V CA -0.904 61.026 62.300 -0.616 0.000 0.894 230 V CB 1.409 32.910 31.823 -0.537 0.000 1.004 230 V HN 0.328 nan 8.190 nan 0.000 0.424 231 Y N 5.364 125.533 120.300 -0.218 0.000 2.478 231 Y HA 0.602 5.152 4.550 0.000 0.000 0.329 231 Y C -2.236 173.604 175.900 -0.101 0.000 0.967 231 Y CA -2.656 55.355 58.100 -0.148 0.000 1.255 231 Y CB 1.619 40.030 38.460 -0.082 0.000 1.103 231 Y HN 0.479 nan 8.280 nan 0.000 0.497 232 P HA 0.210 nan 4.420 nan 0.000 0.274 232 P C 0.846 178.204 177.300 0.098 0.000 1.231 232 P CA 0.419 63.569 63.100 0.083 0.000 0.790 232 P CB 1.550 33.367 31.700 0.194 0.000 0.951 233 G N 0.865 109.711 108.800 0.077 0.000 2.176 233 G HA2 -0.186 3.774 3.960 0.000 0.000 0.253 233 G HA3 -0.186 3.774 3.960 0.000 0.000 0.253 233 G C -0.218 174.709 174.900 0.045 0.000 0.979 233 G CA 0.327 45.465 45.100 0.064 0.000 0.641 233 G HN 0.666 nan 8.290 nan 0.000 0.530 234 L N -1.353 119.896 121.223 0.044 0.000 2.385 234 L HA 0.830 5.170 4.340 0.000 0.000 0.273 234 L C 0.198 177.079 176.870 0.019 0.000 0.990 234 L CA -1.135 53.720 54.840 0.024 0.000 0.821 234 L CB 1.559 43.625 42.059 0.011 0.000 1.279 234 L HN -0.038 nan 8.230 nan 0.000 0.412 235 T N 2.709 117.269 114.554 0.010 0.000 2.902 235 T HA 0.081 4.431 4.350 0.000 0.000 0.301 235 T C -1.542 173.160 174.700 0.004 0.000 1.012 235 T CA -0.493 61.612 62.100 0.009 0.000 1.151 235 T CB 0.531 69.403 68.868 0.005 0.000 0.946 235 T HN 0.548 nan 8.240 nan 0.000 0.542 236 P HA -0.316 nan 4.420 nan 0.000 0.225 236 P C 1.365 178.662 177.300 -0.004 0.000 1.154 236 P CA 1.766 64.871 63.100 0.008 0.000 0.885 236 P CB -0.005 31.702 31.700 0.011 0.000 0.785 237 A N 0.610 123.425 122.820 -0.008 0.000 1.841 237 A HA -0.194 4.126 4.320 0.000 0.000 0.214 237 A C 2.082 179.649 177.584 -0.029 0.000 1.195 237 A CA 1.777 53.804 52.037 -0.016 0.000 0.611 237 A CB -1.171 17.821 19.000 -0.013 0.000 0.835 237 A HN 0.410 nan 8.150 nan 0.000 0.443 238 E N -0.706 119.475 120.200 -0.033 0.000 2.516 238 E HA -0.034 4.316 4.350 0.000 0.000 0.199 238 E C 1.027 177.575 176.600 -0.086 0.000 1.069 238 E CA 1.165 57.531 56.400 -0.055 0.000 0.876 238 E CB -0.374 29.297 29.700 -0.048 0.000 0.843 238 E HN 0.438 nan 8.360 nan 0.000 0.530 239 T N 0.390 114.908 114.554 -0.059 0.000 3.031 239 T HA -0.015 4.335 4.350 0.000 0.000 0.254 239 T C 1.650 176.318 174.700 -0.054 0.000 1.060 239 T CA 0.291 62.357 62.100 -0.057 0.000 1.135 239 T CB 0.193 69.072 68.868 0.019 0.000 0.896 239 T HN 0.066 nan 8.240 nan 0.000 0.472 240 Q N 1.544 121.322 119.800 -0.036 0.000 2.020 240 Q HA 0.128 4.468 4.340 0.000 0.000 0.198 240 Q C 2.210 178.182 176.000 -0.047 0.000 0.974 240 Q CA 1.205 56.992 55.803 -0.027 0.000 0.829 240 Q CB -0.287 28.438 28.738 -0.020 0.000 0.894 240 Q HN 0.396 nan 8.270 nan 0.000 0.433 241 R N 0.181 120.645 120.500 -0.060 0.000 2.357 241 R HA 0.054 4.394 4.340 0.000 0.000 0.202 241 R C 1.714 177.952 176.300 -0.104 0.000 1.047 241 R CA 0.581 56.642 56.100 -0.066 0.000 1.034 241 R CB -0.000 30.266 30.300 -0.057 0.000 0.875 241 R HN 0.146 nan 8.270 nan 0.000 0.473 242 A N 0.266 122.988 122.820 -0.163 0.000 1.997 242 A HA 0.050 4.371 4.320 0.000 0.000 0.212 242 A C 1.883 179.346 177.584 -0.201 0.000 1.178 242 A CA 0.257 52.118 52.037 -0.293 0.000 0.698 242 A CB 0.029 18.669 19.000 -0.599 0.000 0.842 242 A HN 0.240 nan 8.150 nan 0.000 0.458 243 L N -0.632 120.549 121.223 -0.071 0.000 2.270 243 L HA -0.044 4.296 4.340 0.000 0.000 0.210 243 L C 2.542 179.419 176.870 0.013 0.000 1.104 243 L CA 1.053 55.918 54.840 0.042 0.000 0.804 243 L CB -0.149 41.955 42.059 0.075 0.000 0.937 243 L HN 0.374 nan 8.230 nan 0.000 0.450 244 K N 1.701 122.091 120.400 -0.016 0.000 2.026 244 K HA -0.211 4.109 4.320 0.000 0.000 0.208 244 K C 1.670 178.261 176.600 -0.014 0.000 1.048 244 K CA 1.858 58.135 56.287 -0.015 0.000 0.929 244 K CB -0.027 32.459 32.500 -0.024 0.000 0.713 244 K HN 0.399 nan 8.250 nan 0.000 0.439 245 K N 0.850 121.233 120.400 -0.028 0.000 2.458 245 K HA 0.049 4.369 4.320 0.000 0.000 0.194 245 K C -0.232 176.363 176.600 -0.009 0.000 1.024 245 K CA -0.012 56.261 56.287 -0.023 0.000 1.108 245 K CB 0.051 32.529 32.500 -0.036 0.000 0.846 245 K HN -0.005 nan 8.250 nan 0.000 0.518 246 K N 1.812 122.217 120.400 0.009 0.000 3.148 246 K HA -0.157 4.163 4.320 0.000 0.000 0.267 246 K C -0.088 176.542 176.600 0.051 0.000 0.996 246 K CA 0.898 57.209 56.287 0.040 0.000 0.737 246 K CB -1.429 31.087 32.500 0.028 0.000 1.308 246 K HN 0.598 nan 8.250 nan 0.000 0.470 247 M N -1.272 118.361 119.600 0.056 0.000 2.409 247 M HA 0.384 4.864 4.480 0.000 0.000 0.329 247 M C -0.034 176.373 176.300 0.178 0.000 1.180 247 M CA -0.602 54.740 55.300 0.070 0.000 1.053 247 M CB 1.051 33.656 32.600 0.008 0.000 1.586 247 M HN -0.055 nan 8.290 nan 0.000 0.461 248 E N 2.567 122.851 120.200 0.140 0.000 2.608 248 E HA 0.099 4.449 4.350 0.000 0.000 0.259 248 E C -2.309 174.435 176.600 0.240 0.000 0.951 248 E CA -0.189 56.294 56.400 0.140 0.000 0.945 248 E CB -0.111 29.639 29.700 0.084 0.000 0.916 248 E HN 0.400 nan 8.360 nan 0.000 0.477 249 P HA 0.152 nan 4.420 nan 0.000 0.286 249 P C -0.013 177.206 177.300 -0.136 0.000 1.261 249 P CA -0.402 62.512 63.100 -0.311 0.000 0.821 249 P CB 1.614 32.948 31.700 -0.610 0.000 1.013 250 S N 1.019 116.637 115.700 -0.138 0.000 2.365 250 S HA -0.102 4.368 4.470 0.000 0.000 0.221 250 S C 0.662 175.311 174.600 0.081 0.000 1.037 250 S CA 1.576 59.785 58.200 0.015 0.000 1.060 250 S CB -0.839 62.402 63.200 0.067 0.000 0.974 250 S HN 0.704 nan 8.310 nan 0.000 0.427 251 Y N -1.233 119.051 120.300 -0.027 0.000 2.602 251 Y HA 0.767 5.317 4.550 0.000 0.000 0.342 251 Y C -0.503 175.365 175.900 -0.053 0.000 1.029 251 Y CA -1.781 56.313 58.100 -0.009 0.000 1.080 251 Y CB 0.488 38.985 38.460 0.062 0.000 1.284 251 Y HN -0.148 nan 8.280 nan 0.000 0.485 252 M N 2.502 122.186 119.600 0.140 0.000 2.108 252 M HA 0.420 4.900 4.480 0.000 0.000 0.354 252 M C -0.035 176.394 176.300 0.216 0.000 1.229 252 M CA -0.709 54.637 55.300 0.077 0.000 1.081 252 M CB 0.538 33.169 32.600 0.052 0.000 1.606 252 M HN 1.002 nan 8.290 nan 0.000 0.467 253 G N 2.879 111.777 108.800 0.163 0.000 2.533 253 G HA2 0.477 4.437 3.960 0.000 0.000 0.310 253 G HA3 0.477 4.437 3.960 0.000 0.000 0.310 253 G C -0.311 174.676 174.900 0.144 0.000 1.266 253 G CA -0.330 44.910 45.100 0.233 0.000 0.967 253 G HN 0.607 nan 8.290 nan 0.000 0.493 254 T N 2.409 117.041 114.554 0.130 0.000 2.930 254 T HA 0.208 4.558 4.350 0.000 0.000 0.306 254 T C -0.349 174.429 174.700 0.131 0.000 1.045 254 T CA 0.443 62.612 62.100 0.115 0.000 1.134 254 T CB 0.643 69.552 68.868 0.068 0.000 0.961 254 T HN 0.339 nan 8.240 nan 0.000 0.545 255 F N 2.387 122.350 119.950 0.022 0.000 2.399 255 F HA 0.564 5.091 4.527 0.000 0.000 0.328 255 F C 0.185 175.980 175.800 -0.008 0.000 1.084 255 F CA -0.643 57.360 58.000 0.004 0.000 1.053 255 F CB 1.273 40.312 39.000 0.066 0.000 1.209 255 F HN 0.455 nan 8.300 nan 0.000 0.502 256 S N 4.233 119.314 115.700 -1.033 0.000 2.736 256 S HA 0.418 4.888 4.470 0.000 0.000 0.285 256 S C -0.882 173.174 174.600 -0.907 0.000 1.163 256 S CA -0.435 57.341 58.200 -0.707 0.000 1.025 256 S CB 0.302 63.307 63.200 -0.325 0.000 1.030 256 S HN 1.090 nan 8.310 nan 0.000 0.486 257 S N 3.901 119.245 115.700 -0.593 0.000 2.554 257 S HA 0.304 4.774 4.470 0.000 0.000 0.290 257 S C 1.739 176.275 174.600 -0.107 0.000 1.309 257 S CA -0.110 57.923 58.200 -0.279 0.000 1.047 257 S CB 0.322 63.423 63.200 -0.165 0.000 0.828 257 S HN 1.627 nan 8.310 nan 0.000 0.509 258 A N 3.066 125.808 122.820 -0.130 0.000 1.948 258 A HA -0.181 4.139 4.320 0.000 0.000 0.220 258 A C 2.282 179.795 177.584 -0.118 0.000 1.177 258 A CA 1.758 53.653 52.037 -0.237 0.000 0.636 258 A CB -0.837 17.745 19.000 -0.697 0.000 0.815 258 A HN 0.924 nan 8.150 nan 0.000 0.449 259 R N -0.597 119.809 120.500 -0.156 0.000 2.205 259 R HA -0.241 4.099 4.340 0.000 0.000 0.221 259 R C 2.411 178.725 176.300 0.022 0.000 1.101 259 R CA 2.131 58.201 56.100 -0.051 0.000 0.869 259 R CB -0.527 29.793 30.300 0.033 0.000 0.815 259 R HN 0.551 nan 8.270 nan 0.000 0.434 260 R N -0.395 120.117 120.500 0.020 0.000 2.189 260 R HA -0.290 4.050 4.340 0.000 0.000 0.252 260 R C 2.626 178.965 176.300 0.065 0.000 1.134 260 R CA 2.399 58.518 56.100 0.032 0.000 0.954 260 R CB -0.826 29.462 30.300 -0.020 0.000 0.890 260 R HN 0.568 nan 8.270 nan 0.000 0.443 261 H N -0.279 118.795 119.070 0.006 0.000 2.319 261 H HA -0.108 4.448 4.556 0.000 0.000 0.299 261 H C 1.986 177.382 175.328 0.112 0.000 1.092 261 H CA 2.082 58.161 56.048 0.052 0.000 1.302 261 H CB -0.160 29.653 29.762 0.086 0.000 1.373 261 H HN 0.190 nan 8.280 nan 0.000 0.497 262 V N 1.407 121.342 119.914 0.034 0.000 2.343 262 V HA -0.241 3.879 4.120 0.000 0.000 0.247 262 V C 3.042 179.141 176.094 0.008 0.000 1.051 262 V CA 1.458 63.773 62.300 0.025 0.000 1.036 262 V CB -0.548 31.346 31.823 0.119 0.000 0.654 262 V HN 0.338 nan 8.190 nan 0.000 0.451 263 L N -1.208 120.038 121.223 0.038 0.000 1.988 263 L HA -0.184 4.157 4.340 0.000 0.000 0.207 263 L C 2.544 179.461 176.870 0.079 0.000 1.071 263 L CA 1.991 56.872 54.840 0.068 0.000 0.744 263 L CB -0.935 41.167 42.059 0.072 0.000 0.893 263 L HN 0.463 nan 8.230 nan 0.000 0.433 264 H N 0.258 119.303 119.070 -0.042 0.000 2.296 264 H HA -0.251 4.305 4.556 0.000 0.000 0.291 264 H C 2.044 177.317 175.328 -0.093 0.000 1.074 264 H CA 2.667 58.674 56.048 -0.068 0.000 1.176 264 H CB -0.101 29.611 29.762 -0.082 0.000 1.357 264 H HN 0.269 nan 8.280 nan 0.000 0.520 265 T N 0.942 115.457 114.554 -0.065 0.000 2.760 265 T HA -0.231 4.119 4.350 0.000 0.000 0.269 265 T C 1.739 176.390 174.700 -0.081 0.000 1.047 265 T CA 1.617 63.645 62.100 -0.120 0.000 1.139 265 T CB -0.669 68.059 68.868 -0.233 0.000 0.855 265 T HN 0.328 nan 8.240 nan 0.000 0.471 266 F N 1.766 121.612 119.950 -0.173 0.000 2.206 266 F HA 0.205 4.732 4.527 0.000 0.000 0.298 266 F C 2.208 177.892 175.800 -0.193 0.000 1.090 266 F CA 0.817 58.709 58.000 -0.181 0.000 1.323 266 F CB -0.306 38.571 39.000 -0.206 0.000 1.028 266 F HN 0.132 nan 8.300 nan 0.000 0.492 267 A N -0.681 121.974 122.820 -0.275 0.000 2.275 267 A HA 0.191 4.511 4.320 0.000 0.000 0.212 267 A C 1.045 178.421 177.584 -0.346 0.000 1.201 267 A CA 0.402 52.230 52.037 -0.348 0.000 0.843 267 A CB -0.394 18.494 19.000 -0.187 0.000 0.873 267 A HN 0.483 nan 8.150 nan 0.000 0.492 268 N N -0.131 118.361 118.700 -0.347 0.000 2.081 268 N HA 0.044 4.784 4.740 0.000 0.000 0.230 268 N C -0.759 174.623 175.510 -0.213 0.000 1.351 268 N CA 0.399 53.259 53.050 -0.317 0.000 0.840 268 N CB 0.991 39.161 38.487 -0.528 0.000 1.189 268 N HN 0.368 nan 8.380 nan 0.000 0.503 269 T N -1.077 113.358 114.554 -0.199 0.000 2.758 269 T HA 0.388 4.738 4.350 0.000 0.000 0.285 269 T C 1.064 175.683 174.700 -0.136 0.000 0.981 269 T CA -0.508 61.511 62.100 -0.135 0.000 0.965 269 T CB 2.369 71.179 68.868 -0.096 0.000 0.927 269 T HN -0.119 nan 8.240 nan 0.000 0.448 270 E N 1.620 121.759 120.200 -0.101 0.000 2.171 270 E HA -0.098 4.252 4.350 0.000 0.000 0.197 270 E C 1.158 177.714 176.600 -0.073 0.000 0.997 270 E CA 0.802 57.151 56.400 -0.084 0.000 0.810 270 E CB 0.032 29.694 29.700 -0.063 0.000 0.738 270 E HN 0.695 nan 8.360 nan 0.000 0.467 271 S N -0.352 115.310 115.700 -0.062 0.000 2.575 271 S HA 0.070 4.540 4.470 0.000 0.000 0.295 271 S C 0.978 175.550 174.600 -0.047 0.000 1.267 271 S CA 0.045 58.219 58.200 -0.044 0.000 1.074 271 S CB 0.849 64.031 63.200 -0.030 0.000 0.829 271 S HN 0.295 nan 8.310 nan 0.000 0.497 272 A N 4.864 127.665 122.820 -0.032 0.000 1.819 272 A HA 0.007 4.327 4.320 0.000 0.000 0.215 272 A C 2.016 179.590 177.584 -0.017 0.000 1.226 272 A CA 1.427 53.449 52.037 -0.025 0.000 0.608 272 A CB -1.404 17.588 19.000 -0.014 0.000 0.877 272 A HN 1.403 nan 8.150 nan 0.000 0.452 273 S N -1.078 114.619 115.700 -0.006 0.000 2.981 273 S HA 0.175 4.645 4.470 0.000 0.000 0.235 273 S C 0.863 175.464 174.600 0.002 0.000 0.983 273 S CA 1.157 59.356 58.200 -0.001 0.000 1.051 273 S CB -0.219 62.984 63.200 0.006 0.000 0.814 273 S HN 0.599 nan 8.310 nan 0.000 0.518 274 M N 0.149 119.748 119.600 -0.003 0.000 2.363 274 M HA 0.383 4.863 4.480 0.000 0.000 0.243 274 M C 1.694 177.997 176.300 0.004 0.000 1.364 274 M CA 0.398 55.702 55.300 0.007 0.000 1.104 274 M CB 0.170 32.777 32.600 0.011 0.000 1.570 274 M HN 0.117 nan 8.290 nan 0.000 0.564 275 K N 1.008 121.398 120.400 -0.017 0.000 2.063 275 K HA -0.208 4.112 4.320 0.000 0.000 0.208 275 K C 2.021 178.656 176.600 0.058 0.000 1.048 275 K CA 1.888 58.175 56.287 0.000 0.000 0.928 275 K CB -0.117 32.328 32.500 -0.092 0.000 0.713 275 K HN 0.324 nan 8.250 nan 0.000 0.442 276 K N 0.597 121.007 120.400 0.018 0.000 1.985 276 K HA -0.178 4.142 4.320 0.000 0.000 0.210 276 K C 2.238 178.811 176.600 -0.046 0.000 1.047 276 K CA 1.483 57.771 56.287 0.002 0.000 0.932 276 K CB -0.204 32.292 32.500 -0.007 0.000 0.716 276 K HN 0.070 nan 8.250 nan 0.000 0.439 277 R N 0.516 120.986 120.500 -0.050 0.000 2.226 277 R HA -0.127 4.213 4.340 0.000 0.000 0.246 277 R C 1.717 177.881 176.300 -0.227 0.000 1.161 277 R CA 1.349 57.386 56.100 -0.105 0.000 0.997 277 R CB 0.010 30.298 30.300 -0.021 0.000 0.870 277 R HN 0.160 nan 8.270 nan 0.000 0.465 278 V N -0.718 119.126 119.914 -0.117 0.000 3.590 278 V HA -0.038 4.082 4.120 0.000 0.000 0.265 278 V C 1.834 177.837 176.094 -0.150 0.000 1.239 278 V CA 0.633 62.874 62.300 -0.098 0.000 1.117 278 V CB 0.236 32.099 31.823 0.067 0.000 0.818 278 V HN 0.189 nan 8.190 nan 0.000 0.451 279 Q N 1.331 121.053 119.800 -0.131 0.000 2.167 279 Q HA -0.064 4.277 4.340 0.000 0.000 0.202 279 Q C 2.233 178.161 176.000 -0.121 0.000 0.970 279 Q CA 1.684 57.431 55.803 -0.094 0.000 0.855 279 Q CB -0.531 28.195 28.738 -0.021 0.000 0.911 279 Q HN 0.613 nan 8.270 nan 0.000 0.438 280 G N -1.251 107.387 108.800 -0.270 0.000 2.535 280 G HA2 -0.193 3.768 3.960 0.000 0.000 0.218 280 G HA3 -0.193 3.768 3.960 0.000 0.000 0.218 280 G C 0.040 174.833 174.900 -0.179 0.000 1.122 280 G CA 0.475 45.402 45.100 -0.288 0.000 0.769 280 G HN 0.336 nan 8.290 nan 0.000 0.549 281 Y N -0.531 119.764 120.300 -0.008 0.000 2.751 281 Y HA 0.615 5.165 4.550 0.000 0.000 0.289 281 Y C 0.384 176.273 175.900 -0.019 0.000 1.110 281 Y CA -1.242 56.843 58.100 -0.024 0.000 1.251 281 Y CB -0.186 38.253 38.460 -0.034 0.000 1.178 281 Y HN -0.046 nan 8.280 nan 0.000 0.540 282 M N 1.833 121.485 119.600 0.087 0.000 2.206 282 M HA 0.398 4.878 4.480 0.000 0.000 0.272 282 M C -1.110 175.233 176.300 0.072 0.000 1.012 282 M CA -0.658 54.687 55.300 0.076 0.000 0.986 282 M CB 2.559 35.177 32.600 0.030 0.000 1.740 282 M HN 0.192 nan 8.290 nan 0.000 0.472 283 I N 0.615 121.215 120.570 0.049 0.000 2.371 283 I HA 0.562 4.732 4.170 0.000 0.000 0.290 283 I C 0.062 176.126 176.117 -0.087 0.000 1.028 283 I CA -0.098 61.200 61.300 -0.003 0.000 1.345 283 I CB 1.402 39.406 38.000 0.006 0.000 1.407 283 I HN 0.608 nan 8.210 nan 0.000 0.501 284 S N 5.421 121.017 115.700 -0.172 0.000 2.653 284 S HA 0.364 4.834 4.470 0.000 0.000 0.272 284 S C -0.358 174.072 174.600 -0.283 0.000 1.221 284 S CA -0.660 57.283 58.200 -0.428 0.000 1.149 284 S CB 0.492 63.325 63.200 -0.612 0.000 1.029 284 S HN 0.776 nan 8.310 nan 0.000 0.481 285 E N 2.248 122.310 120.200 -0.231 0.000 2.345 285 E HA 0.170 4.520 4.350 0.000 0.000 0.259 285 E C 0.148 176.656 176.600 -0.153 0.000 1.117 285 E CA -0.523 55.792 56.400 -0.143 0.000 0.913 285 E CB 0.796 30.441 29.700 -0.091 0.000 1.057 285 E HN 0.735 nan 8.360 nan 0.000 0.432 286 E N 0.433 120.582 120.200 -0.084 0.000 2.438 286 E HA -0.079 4.271 4.350 0.000 0.000 0.261 286 E C -0.779 175.788 176.600 -0.055 0.000 1.103 286 E CA -0.155 56.213 56.400 -0.053 0.000 0.959 286 E CB 0.686 30.383 29.700 -0.005 0.000 0.958 286 E HN 0.402 nan 8.360 nan 0.000 0.447 287 C N 5.762 125.034 119.300 -0.047 0.000 2.373 287 C HA 0.321 4.781 4.460 0.000 0.000 0.354 287 C C -1.505 173.427 174.990 -0.097 0.000 1.249 287 C CA -1.871 57.106 59.018 -0.068 0.000 1.784 287 C CB -0.100 27.603 27.740 -0.061 0.000 2.408 287 C HN 0.590 nan 8.230 nan 0.000 0.542 288 P HA -0.093 nan 4.420 nan 0.000 0.223 288 P C 1.238 178.346 177.300 -0.320 0.000 1.144 288 P CA 1.140 64.170 63.100 -0.116 0.000 0.783 288 P CB 0.039 31.701 31.700 -0.065 0.000 0.771 289 L N -2.288 118.752 121.223 -0.304 0.000 2.500 289 L HA 0.092 4.432 4.340 0.000 0.000 0.219 289 L C 1.931 178.577 176.870 -0.373 0.000 1.057 289 L CA 0.618 55.259 54.840 -0.331 0.000 0.854 289 L CB -0.453 41.498 42.059 -0.180 0.000 1.078 289 L HN -0.056 nan 8.230 nan 0.000 0.480 290 C N 0.014 119.154 119.300 -0.266 0.000 2.464 290 C HA -0.031 4.429 4.460 0.000 0.000 0.278 290 C C 1.443 176.376 174.990 -0.096 0.000 1.375 290 C CA 0.707 59.634 59.018 -0.152 0.000 1.761 290 C CB -1.204 26.488 27.740 -0.081 0.000 1.944 290 C HN 0.745 nan 8.230 nan 0.000 0.509 291 H N -1.057 118.003 119.070 -0.018 0.000 2.884 291 H HA -0.212 4.344 4.556 0.000 0.000 0.289 291 H C 1.392 176.713 175.328 -0.012 0.000 1.142 291 H CA 0.696 56.735 56.048 -0.015 0.000 1.158 291 H CB -1.286 28.469 29.762 -0.012 0.000 1.325 291 H HN 0.697 nan 8.280 nan 0.000 0.366 292 G N -0.926 107.907 108.800 0.055 0.000 2.308 292 G HA2 -0.312 3.648 3.960 0.000 0.000 0.221 292 G HA3 -0.312 3.648 3.960 0.000 0.000 0.221 292 G C 0.437 175.357 174.900 0.033 0.000 1.032 292 G CA 0.087 45.209 45.100 0.038 0.000 0.623 292 G HN 0.412 nan 8.290 nan 0.000 0.506 293 K N 0.648 121.071 120.400 0.039 0.000 2.336 293 K HA 0.300 4.620 4.320 0.000 0.000 0.262 293 K C 0.919 177.527 176.600 0.013 0.000 0.992 293 K CA 0.080 56.383 56.287 0.025 0.000 0.927 293 K CB 0.497 33.012 32.500 0.025 0.000 0.956 293 K HN 0.374 nan 8.250 nan 0.000 0.495 294 R N 1.137 121.643 120.500 0.011 0.000 2.388 294 R HA 0.193 4.533 4.340 0.000 0.000 0.247 294 R C 0.127 176.427 176.300 -0.001 0.000 0.931 294 R CA 0.056 56.164 56.100 0.013 0.000 1.082 294 R CB -0.199 30.117 30.300 0.027 0.000 1.135 294 R HN 0.347 nan 8.270 nan 0.000 0.525 295 L N -0.067 121.148 121.223 -0.014 0.000 2.283 295 L HA 0.460 4.800 4.340 0.000 0.000 0.259 295 L C 0.299 177.140 176.870 -0.049 0.000 1.027 295 L CA -1.287 53.535 54.840 -0.029 0.000 0.828 295 L CB 1.487 43.529 42.059 -0.029 0.000 1.380 295 L HN -0.156 nan 8.230 nan 0.000 0.425 296 R N 0.873 121.334 120.500 -0.065 0.000 2.480 296 R HA -0.079 4.261 4.340 0.000 0.000 0.303 296 R C 0.801 177.055 176.300 -0.077 0.000 0.985 296 R CA -0.008 56.047 56.100 -0.075 0.000 1.051 296 R CB 0.538 30.786 30.300 -0.086 0.000 0.935 296 R HN 0.488 nan 8.270 nan 0.000 0.410 297 Q N 2.889 122.653 119.800 -0.060 0.000 2.290 297 Q HA -0.259 4.081 4.340 0.000 0.000 0.211 297 Q C 0.766 176.738 176.000 -0.047 0.000 0.991 297 Q CA 1.984 57.761 55.803 -0.043 0.000 0.893 297 Q CB 0.103 28.820 28.738 -0.034 0.000 0.913 297 Q HN 0.604 nan 8.270 nan 0.000 0.428 298 E N -0.687 119.473 120.200 -0.066 0.000 2.028 298 E HA -0.089 4.261 4.350 0.000 0.000 0.191 298 E C 1.830 178.355 176.600 -0.126 0.000 0.988 298 E CA 1.369 57.726 56.400 -0.072 0.000 0.799 298 E CB -0.496 29.160 29.700 -0.073 0.000 0.755 298 E HN 0.466 nan 8.360 nan 0.000 0.447 299 A N 0.651 123.339 122.820 -0.220 0.000 1.892 299 A HA -0.219 4.101 4.320 0.000 0.000 0.218 299 A C 1.960 179.508 177.584 -0.061 0.000 1.188 299 A CA 1.453 53.291 52.037 -0.331 0.000 0.631 299 A CB -0.737 18.046 19.000 -0.362 0.000 0.822 299 A HN 0.204 nan 8.150 nan 0.000 0.447 300 L N 0.499 121.696 121.223 -0.044 0.000 2.265 300 L HA -0.119 4.221 4.340 0.000 0.000 0.215 300 L C 1.823 178.698 176.870 0.008 0.000 1.117 300 L CA 1.342 56.179 54.840 -0.005 0.000 0.782 300 L CB -1.334 40.722 42.059 -0.004 0.000 0.914 300 L HN 0.389 nan 8.230 nan 0.000 0.441 301 N N -0.798 117.896 118.700 -0.010 0.000 2.331 301 N HA -0.038 4.702 4.740 0.000 0.000 0.180 301 N C 0.490 175.988 175.510 -0.020 0.000 1.019 301 N CA 0.284 53.330 53.050 -0.006 0.000 0.881 301 N CB 0.166 38.651 38.487 -0.004 0.000 0.972 301 N HN 0.106 nan 8.380 nan 0.000 0.435 302 V N 1.196 121.085 119.914 -0.042 0.000 2.555 302 V HA 0.151 4.271 4.120 0.000 0.000 0.286 302 V C 0.620 176.795 176.094 0.135 0.000 1.044 302 V CA 0.128 62.373 62.300 -0.092 0.000 1.026 302 V CB 1.362 33.111 31.823 -0.123 0.000 0.981 302 V HN 0.006 nan 8.190 nan 0.000 0.480 303 T N 5.022 119.642 114.554 0.110 0.000 2.887 303 T HA 0.629 4.979 4.350 0.000 0.000 0.288 303 T C -1.281 173.481 174.700 0.104 0.000 1.021 303 T CA -0.256 61.952 62.100 0.179 0.000 1.000 303 T CB 1.188 70.092 68.868 0.060 0.000 1.034 303 T HN 0.453 nan 8.240 nan 0.000 0.467 304 F N 2.835 122.725 119.950 -0.100 0.000 2.536 304 F HA 0.555 5.082 4.527 0.000 0.000 0.322 304 F C 0.460 176.161 175.800 -0.164 0.000 1.144 304 F CA -0.574 57.200 58.000 -0.377 0.000 0.924 304 F CB 0.981 39.425 39.000 -0.928 0.000 1.181 304 F HN 0.832 nan 8.300 nan 0.000 0.438 305 A N 4.101 126.402 122.820 -0.866 0.000 2.665 305 A HA 0.097 4.417 4.320 0.000 0.000 0.301 305 A C 1.705 179.193 177.584 -0.160 0.000 1.509 305 A CA 1.765 53.519 52.037 -0.471 0.000 0.789 305 A CB -2.023 16.690 19.000 -0.479 0.000 1.024 305 A HN 2.602 nan 8.150 nan 0.000 0.460 306 G N -2.872 105.868 108.800 -0.101 0.000 2.317 306 G HA2 -0.214 3.746 3.960 0.000 0.000 0.227 306 G HA3 -0.214 3.746 3.960 0.000 0.000 0.227 306 G C 0.197 175.116 174.900 0.032 0.000 1.042 306 G CA 0.294 45.381 45.100 -0.022 0.000 0.623 306 G HN 1.494 nan 8.290 nan 0.000 0.509 307 L N 2.208 123.475 121.223 0.074 0.000 2.343 307 L HA 0.606 4.946 4.340 0.000 0.000 0.275 307 L C 0.492 177.488 176.870 0.210 0.000 1.056 307 L CA -0.745 54.168 54.840 0.123 0.000 0.804 307 L CB 1.068 43.206 42.059 0.132 0.000 1.203 307 L HN 0.451 nan 8.230 nan 0.000 0.440 308 D N 0.608 121.084 120.400 0.126 0.000 2.377 308 D HA 0.077 4.717 4.640 0.000 0.000 0.245 308 D C 1.093 177.345 176.300 -0.079 0.000 1.196 308 D CA -0.413 53.628 54.000 0.068 0.000 0.962 308 D CB 1.241 42.048 40.800 0.011 0.000 1.127 308 D HN 0.525 nan 8.370 nan 0.000 0.471 309 I N -0.216 120.012 120.570 -0.569 0.000 2.194 309 I HA -0.337 3.833 4.170 0.000 0.000 0.246 309 I C 1.708 177.695 176.117 -0.218 0.000 1.093 309 I CA 1.564 62.420 61.300 -0.740 0.000 1.355 309 I CB -0.144 37.261 38.000 -0.991 0.000 1.046 309 I HN 0.531 nan 8.210 nan 0.000 0.413 310 T N 0.172 114.651 114.554 -0.125 0.000 2.684 310 T HA -0.253 4.097 4.350 0.000 0.000 0.267 310 T C 1.626 176.319 174.700 -0.011 0.000 1.036 310 T CA 1.865 63.937 62.100 -0.046 0.000 1.148 310 T CB -0.264 68.591 68.868 -0.021 0.000 0.863 310 T HN 0.420 nan 8.240 nan 0.000 0.436 311 E N 0.597 120.800 120.200 0.005 0.000 2.049 311 E HA -0.091 4.259 4.350 0.000 0.000 0.198 311 E C 2.195 178.826 176.600 0.051 0.000 1.007 311 E CA 0.923 57.343 56.400 0.033 0.000 0.809 311 E CB -0.352 29.376 29.700 0.048 0.000 0.749 311 E HN 0.303 nan 8.360 nan 0.000 0.450 312 L N 0.552 121.827 121.223 0.086 0.000 2.043 312 L HA -0.234 4.106 4.340 0.000 0.000 0.212 312 L C 2.127 179.032 176.870 0.058 0.000 1.075 312 L CA 1.372 56.279 54.840 0.112 0.000 0.752 312 L CB -0.266 41.921 42.059 0.213 0.000 0.891 312 L HN 0.165 nan 8.230 nan 0.000 0.432 313 S N -0.472 115.244 115.700 0.027 0.000 2.500 313 S HA -0.156 4.314 4.470 0.000 0.000 0.239 313 S C 1.636 176.240 174.600 0.007 0.000 0.989 313 S CA 1.158 59.362 58.200 0.007 0.000 0.951 313 S CB -0.261 62.932 63.200 -0.013 0.000 0.759 313 S HN 0.560 nan 8.310 nan 0.000 0.523 314 R N 0.508 121.016 120.500 0.014 0.000 2.223 314 R HA 0.283 4.623 4.340 0.000 0.000 0.198 314 R C 0.544 176.853 176.300 0.014 0.000 0.984 314 R CA -0.062 56.045 56.100 0.012 0.000 1.018 314 R CB -0.418 29.889 30.300 0.013 0.000 0.945 314 R HN 0.220 nan 8.270 nan 0.000 0.479 315 L N 2.668 123.905 121.223 0.022 0.000 2.492 315 L HA 0.131 4.471 4.340 0.000 0.000 0.280 315 L C -2.004 174.875 176.870 0.014 0.000 1.240 315 L CA -1.860 52.995 54.840 0.024 0.000 0.831 315 L CB 0.203 42.283 42.059 0.036 0.000 1.100 315 L HN -0.022 nan 8.230 nan 0.000 0.505 316 P HA 0.087 nan 4.420 nan 0.000 0.276 316 P C 0.663 177.963 177.300 -0.001 0.000 1.230 316 P CA -0.307 62.798 63.100 0.008 0.000 0.776 316 P CB 0.632 32.350 31.700 0.029 0.000 0.888 317 L N 2.003 123.211 121.223 -0.025 0.000 2.151 317 L HA -0.340 4.000 4.340 0.000 0.000 0.215 317 L C 2.287 179.152 176.870 -0.009 0.000 1.084 317 L CA 2.197 57.022 54.840 -0.024 0.000 0.764 317 L CB -0.948 41.083 42.059 -0.048 0.000 0.891 317 L HN 0.456 nan 8.230 nan 0.000 0.435 318 A N -0.408 122.410 122.820 -0.003 0.000 1.841 318 A HA -0.183 4.137 4.320 0.000 0.000 0.214 318 A C 2.349 179.940 177.584 0.013 0.000 1.195 318 A CA 1.278 53.318 52.037 0.005 0.000 0.611 318 A CB -0.413 18.596 19.000 0.015 0.000 0.835 318 A HN 0.210 nan 8.150 nan 0.000 0.443 319 R N -0.254 120.258 120.500 0.020 0.000 2.113 319 R HA -0.132 4.208 4.340 0.000 0.000 0.244 319 R C 2.140 178.462 176.300 0.037 0.000 1.142 319 R CA 1.472 57.589 56.100 0.028 0.000 0.953 319 R CB -1.663 28.655 30.300 0.031 0.000 0.860 319 R HN 0.407 nan 8.270 nan 0.000 0.438 320 V N 0.987 120.920 119.914 0.032 0.000 2.255 320 V HA -0.277 3.843 4.120 0.000 0.000 0.247 320 V C 2.555 178.675 176.094 0.044 0.000 1.051 320 V CA 2.312 64.636 62.300 0.041 0.000 1.018 320 V CB -0.749 31.087 31.823 0.022 0.000 0.641 320 V HN 0.514 nan 8.190 nan 0.000 0.445 321 S N -0.798 114.917 115.700 0.025 0.000 2.402 321 S HA -0.211 4.259 4.470 0.000 0.000 0.229 321 S C 1.833 176.456 174.600 0.039 0.000 1.021 321 S CA 1.599 59.815 58.200 0.025 0.000 0.974 321 S CB -0.434 62.772 63.200 0.010 0.000 0.800 321 S HN 0.692 nan 8.310 nan 0.000 0.484 322 E N 0.976 121.196 120.200 0.033 0.000 2.070 322 E HA -0.171 4.179 4.350 0.000 0.000 0.197 322 E C 2.040 178.669 176.600 0.049 0.000 1.004 322 E CA 1.747 58.165 56.400 0.030 0.000 0.805 322 E CB -0.440 29.273 29.700 0.021 0.000 0.744 322 E HN 0.743 nan 8.360 nan 0.000 0.451 323 L N -0.796 120.472 121.223 0.076 0.000 2.395 323 L HA 0.044 4.384 4.340 0.000 0.000 0.218 323 L C 1.864 178.865 176.870 0.218 0.000 1.130 323 L CA 1.087 55.996 54.840 0.116 0.000 0.826 323 L CB -0.244 41.887 42.059 0.120 0.000 0.941 323 L HN 0.030 nan 8.230 nan 0.000 0.451 324 L N -0.612 120.733 121.223 0.204 0.000 2.515 324 L HA 0.271 4.611 4.340 0.000 0.000 0.223 324 L C 2.545 179.537 176.870 0.204 0.000 1.079 324 L CA 0.966 55.973 54.840 0.277 0.000 0.857 324 L CB -0.563 41.576 42.059 0.134 0.000 1.050 324 L HN 0.342 nan 8.230 nan 0.000 0.476 325 R N 0.847 121.410 120.500 0.106 0.000 2.094 325 R HA -0.129 4.211 4.340 0.000 0.000 0.239 325 R C -0.627 175.693 176.300 0.034 0.000 1.137 325 R CA 2.352 58.486 56.100 0.056 0.000 0.943 325 R CB -1.540 28.775 30.300 0.026 0.000 0.850 325 R HN 0.276 nan 8.270 nan 0.000 0.433 326 P HA -0.216 nan 4.420 nan 0.000 0.218 326 P C 0.736 177.936 177.300 -0.167 0.000 1.154 326 P CA 1.663 64.691 63.100 -0.121 0.000 0.872 326 P CB -0.282 31.291 31.700 -0.211 0.000 0.790 327 Y N -0.449 119.849 120.300 -0.004 0.000 2.352 327 Y HA -0.025 4.525 4.550 0.000 0.000 0.292 327 Y C 2.627 178.498 175.900 -0.048 0.000 1.136 327 Y CA 1.125 59.224 58.100 -0.001 0.000 1.227 327 Y CB -0.676 37.862 38.460 0.131 0.000 0.991 327 Y HN -0.025 nan 8.280 nan 0.000 0.545 328 A N -0.625 122.246 122.820 0.086 0.000 2.115 328 A HA 0.031 4.351 4.320 0.000 0.000 0.211 328 A C 1.675 179.248 177.584 -0.018 0.000 1.169 328 A CA 0.488 52.544 52.037 0.032 0.000 0.787 328 A CB -0.070 18.947 19.000 0.028 0.000 0.858 328 A HN 0.382 nan 8.150 nan 0.000 0.474 329 E N -0.590 119.585 120.200 -0.041 0.000 2.479 329 E HA 0.086 4.436 4.350 0.000 0.000 0.193 329 E C -0.232 176.306 176.600 -0.104 0.000 1.049 329 E CA 0.210 56.577 56.400 -0.054 0.000 0.870 329 E CB 0.082 29.755 29.700 -0.044 0.000 0.944 329 E HN 0.610 nan 8.360 nan 0.000 0.492 330 E N -0.782 119.309 120.200 -0.182 0.000 3.801 330 E HA -0.275 4.075 4.350 0.000 0.000 0.319 330 E C 0.913 177.309 176.600 -0.341 0.000 0.784 330 E CA 0.442 56.589 56.400 -0.422 0.000 1.183 330 E CB -0.895 28.547 29.700 -0.431 0.000 1.601 330 E HN 0.062 nan 8.360 nan 0.000 0.441 331 R N 1.620 122.005 120.500 -0.191 0.000 2.346 331 R HA 0.015 4.355 4.340 0.000 0.000 0.225 331 R C -0.024 176.170 176.300 -0.177 0.000 0.987 331 R CA 0.261 56.282 56.100 -0.132 0.000 1.106 331 R CB 0.060 30.307 30.300 -0.089 0.000 1.090 331 R HN 0.278 nan 8.270 nan 0.000 0.502 332 E N 1.333 121.372 120.200 -0.269 0.000 2.437 332 E HA 0.048 4.398 4.350 0.000 0.000 0.263 332 E C -2.198 174.280 176.600 -0.203 0.000 1.030 332 E CA -1.711 54.460 56.400 -0.382 0.000 0.934 332 E CB 0.049 29.439 29.700 -0.517 0.000 0.943 332 E HN 0.018 nan 8.360 nan 0.000 0.444 333 P HA 0.143 nan 4.420 nan 0.000 0.280 333 P C 0.125 177.396 177.300 -0.048 0.000 1.300 333 P CA 0.097 63.137 63.100 -0.100 0.000 0.785 333 P CB 0.662 32.301 31.700 -0.103 0.000 0.874 334 G N 2.490 111.288 108.800 -0.003 0.000 2.370 334 G HA2 -0.239 3.721 3.960 0.000 0.000 0.268 334 G HA3 -0.239 3.721 3.960 0.000 0.000 0.268 334 G C 0.648 175.594 174.900 0.077 0.000 1.122 334 G CA 0.230 45.344 45.100 0.023 0.000 0.963 334 G HN 0.781 nan 8.290 nan 0.000 0.500 335 H N -0.117 118.938 119.070 -0.024 0.000 2.317 335 H HA 0.122 4.678 4.556 0.000 0.000 0.304 335 H C 2.837 178.169 175.328 0.007 0.000 1.067 335 H CA 1.442 57.487 56.048 -0.004 0.000 1.352 335 H CB 0.108 29.862 29.762 -0.014 0.000 1.398 335 H HN 0.693 nan 8.280 nan 0.000 0.510 336 A N 1.282 124.014 122.820 -0.147 0.000 1.903 336 A HA -0.253 4.068 4.320 0.000 0.000 0.219 336 A C 2.105 179.620 177.584 -0.114 0.000 1.191 336 A CA 2.268 54.192 52.037 -0.188 0.000 0.638 336 A CB -0.584 18.359 19.000 -0.095 0.000 0.823 336 A HN 0.563 nan 8.150 nan 0.000 0.451 337 E N -0.797 119.373 120.200 -0.049 0.000 2.409 337 E HA -0.044 4.306 4.350 0.000 0.000 0.198 337 E C 2.067 178.663 176.600 -0.006 0.000 1.024 337 E CA 0.691 57.078 56.400 -0.022 0.000 0.861 337 E CB -0.085 29.612 29.700 -0.004 0.000 0.788 337 E HN 0.623 nan 8.360 nan 0.000 0.521 338 R N -0.503 119.997 120.500 0.000 0.000 2.175 338 R HA 0.048 4.388 4.340 0.000 0.000 0.202 338 R C 2.174 178.483 176.300 0.016 0.000 1.018 338 R CA 0.926 57.050 56.100 0.041 0.000 1.029 338 R CB 0.166 30.538 30.300 0.120 0.000 0.959 338 R HN 0.210 nan 8.270 nan 0.000 0.480 339 V N 0.530 120.408 119.914 -0.060 0.000 2.488 339 V HA -0.163 3.957 4.120 0.000 0.000 0.246 339 V C 2.206 178.272 176.094 -0.047 0.000 1.046 339 V CA 1.594 63.853 62.300 -0.068 0.000 1.053 339 V CB -0.600 31.113 31.823 -0.184 0.000 0.679 339 V HN 0.247 nan 8.190 nan 0.000 0.458 340 K N 3.288 123.654 120.400 -0.057 0.000 1.991 340 K HA -0.144 4.176 4.320 0.000 0.000 0.207 340 K C 1.919 178.508 176.600 -0.018 0.000 1.045 340 K CA 1.836 58.102 56.287 -0.036 0.000 0.937 340 K CB -0.955 31.521 32.500 -0.039 0.000 0.720 340 K HN 0.575 nan 8.250 nan 0.000 0.438 341 N N 0.608 119.301 118.700 -0.013 0.000 2.550 341 N HA -0.116 4.624 4.740 0.000 0.000 0.186 341 N C -0.078 175.434 175.510 0.004 0.000 1.110 341 N CA 0.493 53.542 53.050 -0.003 0.000 0.912 341 N CB 0.283 38.770 38.487 0.000 0.000 0.968 341 N HN 0.072 nan 8.380 nan 0.000 0.448 342 R N -0.293 120.211 120.500 0.007 0.000 2.928 342 R HA 0.210 4.550 4.340 0.000 0.000 0.248 342 R C -2.375 173.936 176.300 0.019 0.000 1.796 342 R CA -0.959 55.151 56.100 0.016 0.000 1.477 342 R CB 1.702 32.020 30.300 0.030 0.000 1.484 342 R HN 0.152 nan 8.270 nan 0.000 0.623 343 P HA 0.000 nan 4.420 nan 0.000 0.224 343 P C 0.648 177.961 177.300 0.021 0.000 1.159 343 P CA 0.649 63.758 63.100 0.014 0.000 0.824 343 P CB 0.569 32.271 31.700 0.004 0.000 0.833 344 E N 1.504 121.715 120.200 0.017 0.000 2.077 344 E HA -0.254 4.096 4.350 0.000 0.000 0.193 344 E C 2.037 178.651 176.600 0.023 0.000 0.989 344 E CA 1.567 57.977 56.400 0.017 0.000 0.800 344 E CB -1.502 28.204 29.700 0.010 0.000 0.746 344 E HN 0.413 nan 8.360 nan 0.000 0.452 345 Q N 0.712 120.529 119.800 0.028 0.000 2.250 345 Q HA 0.255 4.595 4.340 0.000 0.000 0.200 345 Q C 2.153 178.183 176.000 0.051 0.000 0.941 345 Q CA 1.114 56.937 55.803 0.034 0.000 0.872 345 Q CB -0.373 28.386 28.738 0.035 0.000 0.965 345 Q HN 0.233 nan 8.270 nan 0.000 0.480 346 A N 1.388 124.249 122.820 0.068 0.000 1.933 346 A HA -0.067 4.253 4.320 0.000 0.000 0.218 346 A C 2.159 179.804 177.584 0.102 0.000 1.175 346 A CA 1.360 53.462 52.037 0.109 0.000 0.628 346 A CB -0.708 18.374 19.000 0.137 0.000 0.814 346 A HN 0.454 nan 8.150 nan 0.000 0.444 347 I N -0.320 120.294 120.570 0.073 0.000 2.179 347 I HA -0.270 3.900 4.170 0.000 0.000 0.242 347 I C 2.977 179.116 176.117 0.036 0.000 1.088 347 I CA 1.158 62.492 61.300 0.057 0.000 1.357 347 I CB -0.547 37.479 38.000 0.042 0.000 1.051 347 I HN 0.365 nan 8.210 nan 0.000 0.409 348 A N 0.912 123.748 122.820 0.027 0.000 1.978 348 A HA -0.193 4.127 4.320 0.000 0.000 0.220 348 A C 2.369 179.950 177.584 -0.006 0.000 1.170 348 A CA 1.274 53.317 52.037 0.009 0.000 0.636 348 A CB -0.690 18.315 19.000 0.008 0.000 0.810 348 A HN 0.471 nan 8.150 nan 0.000 0.448 349 L N -0.789 120.441 121.223 0.012 0.000 2.072 349 L HA -0.139 4.201 4.340 0.000 0.000 0.205 349 L C 2.462 179.335 176.870 0.004 0.000 1.079 349 L CA 2.485 57.324 54.840 -0.002 0.000 0.752 349 L CB -0.681 41.408 42.059 0.051 0.000 0.906 349 L HN 0.565 nan 8.230 nan 0.000 0.436 350 Q N 0.520 120.339 119.800 0.032 0.000 2.008 350 Q HA -0.227 4.113 4.340 0.000 0.000 0.196 350 Q C 2.295 178.293 176.000 -0.004 0.000 0.973 350 Q CA 1.215 57.032 55.803 0.023 0.000 0.826 350 Q CB -0.511 28.241 28.738 0.023 0.000 0.894 350 Q HN 0.408 nan 8.270 nan 0.000 0.439 351 R N 0.321 120.819 120.500 -0.003 0.000 2.133 351 R HA -0.171 4.170 4.340 0.000 0.000 0.247 351 R C 2.195 178.473 176.300 -0.037 0.000 1.151 351 R CA 1.908 57.999 56.100 -0.015 0.000 0.971 351 R CB -0.501 29.794 30.300 -0.008 0.000 0.866 351 R HN 0.408 nan 8.270 nan 0.000 0.447 352 M N -0.372 119.196 119.600 -0.052 0.000 2.156 352 M HA -0.056 4.424 4.480 0.000 0.000 0.264 352 M C 2.218 178.449 176.300 -0.115 0.000 1.067 352 M CA 1.623 56.869 55.300 -0.089 0.000 1.131 352 M CB -0.046 32.487 32.600 -0.110 0.000 1.368 352 M HN 0.265 nan 8.290 nan 0.000 0.416 353 A N 0.216 122.975 122.820 -0.102 0.000 1.845 353 A HA -0.082 4.238 4.320 0.000 0.000 0.215 353 A C 2.253 179.799 177.584 -0.063 0.000 1.195 353 A CA 1.912 53.893 52.037 -0.094 0.000 0.616 353 A CB -1.379 17.613 19.000 -0.013 0.000 0.832 353 A HN 0.558 nan 8.150 nan 0.000 0.443 354 A N -0.512 122.285 122.820 -0.038 0.000 2.024 354 A HA -0.224 4.096 4.320 0.000 0.000 0.220 354 A C 1.760 179.315 177.584 -0.048 0.000 1.164 354 A CA 2.301 54.320 52.037 -0.030 0.000 0.643 354 A CB -0.716 18.273 19.000 -0.018 0.000 0.806 354 A HN 0.576 nan 8.150 nan 0.000 0.451 355 D N -0.725 119.633 120.400 -0.069 0.000 2.183 355 D HA -0.027 4.613 4.640 0.000 0.000 0.203 355 D C 1.744 177.961 176.300 -0.138 0.000 0.969 355 D CA 0.836 54.779 54.000 -0.095 0.000 0.842 355 D CB -0.086 40.656 40.800 -0.096 0.000 0.957 355 D HN 0.422 nan 8.370 nan 0.000 0.484 356 L N -0.756 120.389 121.223 -0.130 0.000 2.095 356 L HA -0.045 4.295 4.340 0.000 0.000 0.204 356 L C 2.478 179.287 176.870 -0.102 0.000 1.080 356 L CA 0.297 55.052 54.840 -0.142 0.000 0.759 356 L CB -0.190 41.786 42.059 -0.138 0.000 0.914 356 L HN -0.037 nan 8.230 nan 0.000 0.439 357 V N 0.193 120.069 119.914 -0.063 0.000 2.255 357 V HA -0.370 3.750 4.120 0.000 0.000 0.247 357 V C 2.636 178.720 176.094 -0.017 0.000 1.051 357 V CA 2.009 64.293 62.300 -0.026 0.000 1.018 357 V CB -0.424 31.395 31.823 -0.007 0.000 0.641 357 V HN 0.442 nan 8.190 nan 0.000 0.445 358 K N -0.282 120.100 120.400 -0.031 0.000 2.034 358 K HA -0.280 4.040 4.320 0.000 0.000 0.214 358 K C 2.352 178.946 176.600 -0.010 0.000 1.051 358 K CA 2.165 58.444 56.287 -0.013 0.000 0.931 358 K CB -0.197 32.285 32.500 -0.030 0.000 0.715 358 K HN 0.304 nan 8.250 nan 0.000 0.446 359 R N 0.294 120.709 120.500 -0.142 0.000 2.096 359 R HA -0.068 4.272 4.340 0.000 0.000 0.235 359 R C 2.366 178.695 176.300 0.047 0.000 1.127 359 R CA 1.312 57.253 56.100 -0.265 0.000 0.968 359 R CB -0.194 29.670 30.300 -0.726 0.000 0.861 359 R HN 0.233 nan 8.270 nan 0.000 0.440 360 L N 0.343 121.565 121.223 -0.001 0.000 2.291 360 L HA -0.146 4.194 4.340 0.000 0.000 0.214 360 L C 1.270 178.183 176.870 0.071 0.000 1.120 360 L CA 0.870 55.731 54.840 0.035 0.000 0.799 360 L CB -0.160 41.897 42.059 -0.003 0.000 0.925 360 L HN 0.209 nan 8.230 nan 0.000 0.446 361 D N -0.704 119.754 120.400 0.097 0.000 2.137 361 D HA -0.125 4.515 4.640 0.000 0.000 0.202 361 D C 2.336 178.772 176.300 0.226 0.000 0.970 361 D CA 0.948 55.041 54.000 0.156 0.000 0.837 361 D CB -0.301 40.622 40.800 0.205 0.000 0.981 361 D HN 0.067 nan 8.370 nan 0.000 0.475 362 V N 2.008 122.039 119.914 0.196 0.000 2.233 362 V HA -0.269 3.851 4.120 0.000 0.000 0.252 362 V C 2.634 178.806 176.094 0.130 0.000 1.063 362 V CA 1.363 63.759 62.300 0.160 0.000 1.032 362 V CB -0.518 31.410 31.823 0.174 0.000 0.645 362 V HN 0.228 nan 8.190 nan 0.000 0.446 363 L N -1.330 119.975 121.223 0.136 0.000 2.051 363 L HA -0.220 4.120 4.340 0.000 0.000 0.214 363 L C 2.320 179.212 176.870 0.037 0.000 1.076 363 L CA 2.142 57.025 54.840 0.071 0.000 0.758 363 L CB -1.102 40.998 42.059 0.068 0.000 0.890 363 L HN 0.331 nan 8.230 nan 0.000 0.433 364 L N -1.625 119.623 121.223 0.041 0.000 2.095 364 L HA -0.128 4.212 4.340 0.000 0.000 0.204 364 L C 2.644 179.495 176.870 -0.032 0.000 1.080 364 L CA 1.090 55.921 54.840 -0.014 0.000 0.759 364 L CB -0.677 41.349 42.059 -0.054 0.000 0.914 364 L HN 0.283 nan 8.230 nan 0.000 0.439 365 H N -0.390 118.691 119.070 0.018 0.000 2.289 365 H HA -0.122 4.434 4.556 0.000 0.000 0.294 365 H C 0.589 175.924 175.328 0.012 0.000 1.095 365 H CA 0.996 57.053 56.048 0.015 0.000 1.256 365 H CB -0.439 29.332 29.762 0.014 0.000 1.359 365 H HN 0.079 nan 8.280 nan 0.000 0.487 366 L N 0.769 122.060 121.223 0.114 0.000 2.490 366 L HA 0.024 4.364 4.340 0.000 0.000 0.274 366 L C 1.547 178.445 176.870 0.047 0.000 1.201 366 L CA 0.434 55.307 54.840 0.055 0.000 0.869 366 L CB 0.519 42.591 42.059 0.021 0.000 1.123 366 L HN 0.143 nan 8.230 nan 0.000 0.484 367 G N 4.553 113.389 108.800 0.060 0.000 3.084 367 G HA2 0.175 4.136 3.960 0.000 0.000 0.254 367 G HA3 0.175 4.136 3.960 0.000 0.000 0.254 367 G C 0.804 175.795 174.900 0.151 0.000 0.834 367 G CA -0.141 45.014 45.100 0.091 0.000 1.999 367 G HN 0.644 nan 8.290 nan 0.000 0.611 368 L N 0.184 121.425 121.223 0.031 0.000 2.616 368 L HA 0.206 4.546 4.340 0.000 0.000 0.229 368 L C 2.644 179.384 176.870 -0.218 0.000 1.110 368 L CA 0.364 55.124 54.840 -0.133 0.000 0.884 368 L CB 0.492 42.475 42.059 -0.126 0.000 1.115 368 L HN 0.397 nan 8.230 nan 0.000 0.481 369 G N 0.224 108.991 108.800 -0.055 0.000 2.498 369 G HA2 -0.321 3.639 3.960 0.000 0.000 0.219 369 G HA3 -0.321 3.639 3.960 0.000 0.000 0.219 369 G C 1.325 176.212 174.900 -0.021 0.000 1.119 369 G CA 0.768 45.844 45.100 -0.040 0.000 0.766 369 G HN 0.617 nan 8.290 nan 0.000 0.552 370 Y N -0.232 120.063 120.300 -0.009 0.000 2.574 370 Y HA 0.361 4.911 4.550 0.000 0.000 0.294 370 Y C 0.883 176.780 175.900 -0.005 0.000 1.142 370 Y CA -0.517 57.579 58.100 -0.006 0.000 1.314 370 Y CB -0.258 38.199 38.460 -0.005 0.000 0.991 370 Y HN -0.019 nan 8.280 nan 0.000 0.555 371 L N 1.362 122.334 121.223 -0.419 0.000 2.379 371 L HA 0.558 4.899 4.340 0.000 0.000 0.269 371 L C 0.734 177.530 176.870 -0.125 0.000 1.084 371 L CA -0.633 54.022 54.840 -0.309 0.000 0.802 371 L CB 1.274 43.078 42.059 -0.425 0.000 1.175 371 L HN 0.311 nan 8.230 nan 0.000 0.448 372 G N 1.477 110.234 108.800 -0.071 0.000 2.356 372 G HA2 0.355 4.315 3.960 0.000 0.000 0.322 372 G HA3 0.355 4.315 3.960 0.000 0.000 0.322 372 G C 0.872 175.749 174.900 -0.038 0.000 1.125 372 G CA -0.649 44.428 45.100 -0.039 0.000 0.885 372 G HN 0.467 nan 8.290 nan 0.000 0.467 373 L N 1.968 123.175 121.223 -0.027 0.000 2.151 373 L HA -0.140 4.200 4.340 0.000 0.000 0.215 373 L C 2.124 178.982 176.870 -0.019 0.000 1.084 373 L CA 2.064 56.891 54.840 -0.023 0.000 0.764 373 L CB -0.931 41.120 42.059 -0.014 0.000 0.891 373 L HN 0.733 nan 8.230 nan 0.000 0.435 374 D N -0.584 119.807 120.400 -0.014 0.000 2.328 374 D HA -0.051 4.589 4.640 0.000 0.000 0.221 374 D C 1.104 177.398 176.300 -0.011 0.000 1.072 374 D CA -0.340 53.655 54.000 -0.009 0.000 0.850 374 D CB -0.263 40.536 40.800 -0.003 0.000 0.922 374 D HN 0.102 nan 8.370 nan 0.000 0.516 375 R N 0.691 121.178 120.500 -0.022 0.000 2.401 375 R HA 0.193 4.533 4.340 0.000 0.000 0.299 375 R C -0.161 176.128 176.300 -0.018 0.000 1.064 375 R CA -0.185 55.899 56.100 -0.027 0.000 1.000 375 R CB 0.294 30.569 30.300 -0.041 0.000 0.973 375 R HN -0.122 nan 8.270 nan 0.000 0.438 376 S N 2.338 118.033 115.700 -0.008 0.000 2.546 376 S HA -0.044 4.426 4.470 0.000 0.000 0.290 376 S C 1.244 175.847 174.600 0.004 0.000 1.290 376 S CA 0.292 58.495 58.200 0.006 0.000 1.069 376 S CB 0.574 63.788 63.200 0.024 0.000 0.846 376 S HN 0.821 nan 8.310 nan 0.000 0.495 377 T N 2.688 117.244 114.554 0.002 0.000 2.788 377 T HA -0.019 4.331 4.350 0.000 0.000 0.268 377 T C -0.955 173.751 174.700 0.010 0.000 1.044 377 T CA 0.768 62.867 62.100 -0.001 0.000 1.139 377 T CB -1.363 67.500 68.868 -0.008 0.000 0.867 377 T HN 0.568 nan 8.240 nan 0.000 0.454 378 P HA -0.016 nan 4.420 nan 0.000 0.231 378 P C 1.262 178.596 177.300 0.058 0.000 1.158 378 P CA 1.174 64.291 63.100 0.030 0.000 0.763 378 P CB -0.444 31.274 31.700 0.031 0.000 0.805 379 T N -4.775 109.819 114.554 0.066 0.000 3.023 379 T HA 0.149 4.499 4.350 0.000 0.000 0.253 379 T C 0.794 175.538 174.700 0.073 0.000 1.038 379 T CA -0.291 61.877 62.100 0.113 0.000 0.962 379 T CB -0.331 68.605 68.868 0.114 0.000 1.018 379 T HN -0.224 nan 8.240 nan 0.000 0.521 380 L N 3.670 124.916 121.223 0.038 0.000 2.473 380 L HA 0.392 4.732 4.340 0.000 0.000 0.265 380 L C 1.039 177.936 176.870 0.046 0.000 1.243 380 L CA -0.103 54.757 54.840 0.034 0.000 0.822 380 L CB 0.536 42.600 42.059 0.007 0.000 1.101 380 L HN 0.529 nan 8.230 nan 0.000 0.507 381 S N 0.701 116.430 115.700 0.050 0.000 2.610 381 S HA 0.430 4.901 4.470 0.000 0.000 0.273 381 S C -1.956 172.650 174.600 0.010 0.000 1.274 381 S CA -1.062 57.160 58.200 0.036 0.000 1.023 381 S CB 1.101 64.328 63.200 0.044 0.000 0.962 381 S HN 0.481 nan 8.310 nan 0.000 0.523 382 P HA 0.004 nan 4.420 nan 0.000 0.215 382 P C 1.826 179.109 177.300 -0.028 0.000 1.153 382 P CA 1.699 64.785 63.100 -0.024 0.000 0.853 382 P CB -0.585 31.095 31.700 -0.033 0.000 0.788 383 G N 0.231 109.012 108.800 -0.031 0.000 2.649 383 G HA2 -0.354 3.606 3.960 0.000 0.000 0.220 383 G HA3 -0.354 3.606 3.960 0.000 0.000 0.220 383 G C 1.383 176.270 174.900 -0.022 0.000 1.189 383 G CA 1.519 46.597 45.100 -0.038 0.000 0.777 383 G HN 0.286 nan 8.290 nan 0.000 0.602 384 E N 0.235 120.436 120.200 0.001 0.000 2.002 384 E HA -0.164 4.186 4.350 0.000 0.000 0.205 384 E C 2.482 179.064 176.600 -0.030 0.000 1.020 384 E CA 1.517 57.916 56.400 -0.001 0.000 0.856 384 E CB -0.374 29.340 29.700 0.024 0.000 0.788 384 E HN 0.415 nan 8.360 nan 0.000 0.477 385 L N 0.722 121.927 121.223 -0.029 0.000 2.353 385 L HA -0.092 4.248 4.340 0.000 0.000 0.220 385 L C 2.087 178.926 176.870 -0.051 0.000 1.133 385 L CA 1.639 56.454 54.840 -0.041 0.000 0.798 385 L CB -1.629 40.409 42.059 -0.035 0.000 0.922 385 L HN 0.159 nan 8.230 nan 0.000 0.445 386 Q N 0.565 120.335 119.800 -0.050 0.000 2.046 386 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 386 Q C 2.460 178.417 176.000 -0.073 0.000 0.975 386 Q CA 1.634 57.402 55.803 -0.058 0.000 0.836 386 Q CB -0.040 28.670 28.738 -0.048 0.000 0.896 386 Q HN 0.493 nan 8.270 nan 0.000 0.428 387 R N -0.363 120.100 120.500 -0.061 0.000 2.189 387 R HA -0.015 4.325 4.340 0.000 0.000 0.223 387 R C 2.123 178.376 176.300 -0.078 0.000 1.092 387 R CA 0.824 56.885 56.100 -0.065 0.000 0.989 387 R CB -0.038 30.239 30.300 -0.039 0.000 0.876 387 R HN 0.346 nan 8.270 nan 0.000 0.457 388 L N -0.486 120.692 121.223 -0.075 0.000 2.179 388 L HA -0.086 4.254 4.340 0.000 0.000 0.208 388 L C 2.401 179.211 176.870 -0.100 0.000 1.096 388 L CA 1.035 55.827 54.840 -0.079 0.000 0.779 388 L CB -0.108 41.912 42.059 -0.065 0.000 0.922 388 L HN 0.138 nan 8.230 nan 0.000 0.443 389 R N -0.503 119.935 120.500 -0.104 0.000 2.080 389 R HA -0.061 4.279 4.340 0.000 0.000 0.222 389 R C 2.246 178.434 176.300 -0.187 0.000 1.107 389 R CA 0.696 56.724 56.100 -0.119 0.000 0.980 389 R CB -0.127 30.119 30.300 -0.091 0.000 0.879 389 R HN 0.277 nan 8.270 nan 0.000 0.439 390 L N 0.678 121.784 121.223 -0.194 0.000 1.970 390 L HA -0.250 4.090 4.340 0.000 0.000 0.212 390 L C 2.377 179.083 176.870 -0.273 0.000 1.071 390 L CA 1.713 56.399 54.840 -0.257 0.000 0.751 390 L CB -0.600 41.346 42.059 -0.189 0.000 0.889 390 L HN 0.234 nan 8.230 nan 0.000 0.432 391 A N -0.560 122.134 122.820 -0.209 0.000 1.883 391 A HA -0.377 3.943 4.320 0.000 0.000 0.222 391 A C 2.217 179.540 177.584 -0.435 0.000 1.339 391 A CA 3.221 55.125 52.037 -0.221 0.000 0.692 391 A CB -1.536 17.388 19.000 -0.126 0.000 0.845 391 A HN 0.523 nan 8.150 nan 0.000 0.467 392 T N -0.533 113.774 114.554 -0.410 0.000 2.699 392 T HA -0.182 4.168 4.350 0.000 0.000 0.268 392 T C 2.105 176.351 174.700 -0.756 0.000 1.036 392 T CA 1.647 63.373 62.100 -0.623 0.000 1.147 392 T CB -0.309 68.442 68.868 -0.194 0.000 0.862 392 T HN 0.461 nan 8.240 nan 0.000 0.446 393 Q N 0.485 120.017 119.800 -0.448 0.000 2.152 393 Q HA -0.045 4.295 4.340 0.000 0.000 0.206 393 Q C 2.428 178.237 176.000 -0.319 0.000 0.985 393 Q CA 1.233 56.832 55.803 -0.340 0.000 0.863 393 Q CB -0.669 27.809 28.738 -0.433 0.000 0.904 393 Q HN 0.491 nan 8.270 nan 0.000 0.422 394 L N -0.125 120.858 121.223 -0.399 0.000 2.046 394 L HA -0.223 4.117 4.340 0.000 0.000 0.208 394 L C 2.244 179.031 176.870 -0.137 0.000 1.077 394 L CA 1.647 56.343 54.840 -0.239 0.000 0.747 394 L CB -0.738 41.196 42.059 -0.209 0.000 0.896 394 L HN 0.328 nan 8.230 nan 0.000 0.432 395 Y N -2.829 117.464 120.300 -0.011 0.000 2.517 395 Y HA 0.110 4.660 4.550 0.000 0.000 0.281 395 Y C 2.496 178.403 175.900 0.012 0.000 1.125 395 Y CA 0.223 58.324 58.100 0.001 0.000 1.283 395 Y CB -1.451 37.007 38.460 -0.004 0.000 1.042 395 Y HN 0.129 nan 8.280 nan 0.000 0.547 396 S N 0.479 116.232 115.700 0.087 0.000 2.584 396 S HA -0.175 4.295 4.470 0.000 0.000 0.240 396 S C 0.834 175.500 174.600 0.110 0.000 0.975 396 S CA 0.918 59.194 58.200 0.127 0.000 0.949 396 S CB -0.858 62.369 63.200 0.045 0.000 0.761 396 S HN 0.660 nan 8.310 nan 0.000 0.536 397 N N -0.573 118.190 118.700 0.105 0.000 2.925 397 N HA -0.112 4.628 4.740 0.000 0.000 0.244 397 N C -0.598 174.985 175.510 0.122 0.000 1.000 397 N CA 0.855 53.968 53.050 0.106 0.000 0.895 397 N CB -2.022 36.519 38.487 0.089 0.000 1.119 397 N HN 0.547 nan 8.380 nan 0.000 0.569 398 L N 0.040 121.346 121.223 0.140 0.000 2.439 398 L HA 0.419 4.759 4.340 0.000 0.000 0.269 398 L C 0.319 177.301 176.870 0.188 0.000 1.179 398 L CA -0.057 54.862 54.840 0.133 0.000 0.828 398 L CB 0.406 42.534 42.059 0.115 0.000 1.106 398 L HN 0.162 nan 8.230 nan 0.000 0.467 399 F N 1.182 121.111 119.950 -0.036 0.000 2.608 399 F HA 0.592 5.119 4.527 0.000 0.000 0.309 399 F C 0.366 176.114 175.800 -0.087 0.000 1.103 399 F CA -0.233 57.741 58.000 -0.044 0.000 0.954 399 F CB 1.915 40.903 39.000 -0.020 0.000 1.267 399 F HN 0.510 nan 8.300 nan 0.000 0.444 400 G N 3.824 112.011 108.800 -1.021 0.000 2.385 400 G HA2 0.170 4.130 3.960 0.000 0.000 0.294 400 G HA3 0.170 4.130 3.960 0.000 0.000 0.294 400 G C -1.071 173.554 174.900 -0.459 0.000 1.070 400 G CA 0.155 44.810 45.100 -0.742 0.000 1.172 400 G HN 1.737 nan 8.290 nan 0.000 0.516 401 V N -2.900 116.718 119.914 -0.493 0.000 3.181 401 V HA 0.896 5.016 4.120 0.000 0.000 0.308 401 V C -0.058 175.652 176.094 -0.640 0.000 1.214 401 V CA -1.117 60.847 62.300 -0.560 0.000 1.053 401 V CB 2.424 33.849 31.823 -0.664 0.000 1.069 401 V HN 0.841 nan 8.190 nan 0.000 0.441 402 V N 2.216 121.738 119.914 -0.653 0.000 2.334 402 V HA 0.458 4.578 4.120 0.000 0.000 0.281 402 V C -0.633 175.057 176.094 -0.673 0.000 1.016 402 V CA -0.424 61.436 62.300 -0.733 0.000 0.832 402 V CB 0.551 31.842 31.823 -0.888 0.000 0.999 402 V HN 0.830 nan 8.190 nan 0.000 0.439 403 Y N 3.068 123.144 120.300 -0.373 0.000 2.411 403 Y HA 0.460 5.010 4.550 0.000 0.000 0.333 403 Y C 0.392 176.064 175.900 -0.379 0.000 1.186 403 Y CA -0.327 57.591 58.100 -0.302 0.000 1.381 403 Y CB 1.189 39.526 38.460 -0.206 0.000 1.273 403 Y HN 0.384 nan 8.280 nan 0.000 0.546 404 V N 5.377 125.175 119.914 -0.193 0.000 2.482 404 V HA 0.392 4.512 4.120 0.000 0.000 0.295 404 V C -0.825 175.117 176.094 -0.254 0.000 1.026 404 V CA -0.724 61.290 62.300 -0.476 0.000 0.856 404 V CB 1.364 32.653 31.823 -0.890 0.000 1.001 404 V HN 0.480 nan 8.190 nan 0.000 0.424 405 L N 3.416 124.579 121.223 -0.100 0.000 2.381 405 L HA 0.624 4.964 4.340 0.000 0.000 0.268 405 L C -0.631 176.380 176.870 0.235 0.000 0.997 405 L CA -0.226 54.683 54.840 0.116 0.000 0.818 405 L CB 2.147 44.217 42.059 0.019 0.000 1.310 405 L HN 0.599 nan 8.230 nan 0.000 0.416 406 D N 2.154 122.712 120.400 0.264 0.000 2.477 406 D HA 0.306 4.946 4.640 0.000 0.000 0.239 406 D C -0.317 176.016 176.300 0.055 0.000 1.102 406 D CA -0.108 54.002 54.000 0.183 0.000 0.901 406 D CB 0.358 41.163 40.800 0.008 0.000 1.026 406 D HN 0.548 nan 8.370 nan 0.000 0.515 407 E N 2.732 122.952 120.200 0.032 0.000 2.260 407 E HA -0.139 4.211 4.350 0.000 0.000 0.204 407 E C -1.675 174.920 176.600 -0.009 0.000 1.319 407 E CA 0.161 56.561 56.400 0.000 0.000 0.679 407 E CB 0.100 29.810 29.700 0.016 0.000 1.158 407 E HN 0.397 nan 8.360 nan 0.000 0.376 408 P HA -0.157 nan 4.420 nan 0.000 0.228 408 P C 0.810 178.090 177.300 -0.034 0.000 1.151 408 P CA 1.538 64.623 63.100 -0.025 0.000 0.770 408 P CB 0.137 31.821 31.700 -0.026 0.000 0.786 409 S N -1.793 113.886 115.700 -0.034 0.000 2.557 409 S HA 0.402 4.872 4.470 0.000 0.000 0.223 409 S C 1.004 175.560 174.600 -0.075 0.000 0.969 409 S CA -0.449 57.724 58.200 -0.046 0.000 0.927 409 S CB -0.598 62.580 63.200 -0.037 0.000 0.806 409 S HN 0.150 nan 8.310 nan 0.000 0.489 410 A N 1.216 123.993 122.820 -0.071 0.000 2.548 410 A HA 0.500 4.820 4.320 0.000 0.000 0.247 410 A C 1.514 178.967 177.584 -0.218 0.000 1.067 410 A CA 0.314 52.288 52.037 -0.105 0.000 0.757 410 A CB -1.158 17.803 19.000 -0.064 0.000 0.996 410 A HN 1.681 nan 8.150 nan 0.000 0.504 411 G N 1.184 109.714 108.800 -0.450 0.000 2.176 411 G HA2 -0.185 3.775 3.960 0.000 0.000 0.252 411 G HA3 -0.185 3.775 3.960 0.000 0.000 0.252 411 G C -0.028 174.490 174.900 -0.636 0.000 1.024 411 G CA 0.402 44.856 45.100 -1.077 0.000 0.755 411 G HN 1.150 nan 8.290 nan 0.000 0.507 412 L N 0.852 121.894 121.223 -0.303 0.000 2.287 412 L HA 0.537 4.877 4.340 0.000 0.000 0.287 412 L C 0.842 177.733 176.870 0.035 0.000 1.022 412 L CA -1.106 53.686 54.840 -0.080 0.000 0.814 412 L CB 0.911 42.940 42.059 -0.050 0.000 1.217 412 L HN 0.409 nan 8.230 nan 0.000 0.420 413 H N 6.578 125.653 119.070 0.007 0.000 2.848 413 H HA 0.096 4.652 4.556 0.000 0.000 0.341 413 H C -1.684 173.559 175.328 -0.142 0.000 1.060 413 H CA -1.046 54.994 56.048 -0.013 0.000 1.444 413 H CB 1.240 31.006 29.762 0.007 0.000 1.446 413 H HN 0.475 nan 8.280 nan 0.000 0.583 414 P HA -0.388 nan 4.420 nan 0.000 0.226 414 P C 1.119 178.209 177.300 -0.350 0.000 1.154 414 P CA 2.776 65.709 63.100 -0.278 0.000 0.918 414 P CB -0.138 31.128 31.700 -0.724 0.000 0.790 415 A N -0.371 122.321 122.820 -0.212 0.000 1.892 415 A HA -0.219 4.101 4.320 0.000 0.000 0.218 415 A C 1.502 179.048 177.584 -0.063 0.000 1.188 415 A CA 2.223 54.158 52.037 -0.170 0.000 0.631 415 A CB -1.263 17.606 19.000 -0.218 0.000 0.822 415 A HN 0.202 nan 8.150 nan 0.000 0.447 416 D N -0.281 120.085 120.400 -0.057 0.000 2.538 416 D HA 0.073 4.713 4.640 0.000 0.000 0.234 416 D C 1.409 177.707 176.300 -0.004 0.000 1.191 416 D CA 0.871 54.860 54.000 -0.019 0.000 0.828 416 D CB -0.210 40.581 40.800 -0.016 0.000 0.981 416 D HN 0.643 nan 8.370 nan 0.000 0.490 417 T N -1.626 112.921 114.554 -0.011 0.000 2.770 417 T HA -0.152 4.198 4.350 0.000 0.000 0.258 417 T C 1.830 176.537 174.700 0.011 0.000 1.039 417 T CA 0.470 62.566 62.100 -0.006 0.000 1.143 417 T CB -0.066 68.793 68.868 -0.016 0.000 0.866 417 T HN -0.091 nan 8.240 nan 0.000 0.428 418 E N 2.273 122.487 120.200 0.023 0.000 2.245 418 E HA -0.272 4.078 4.350 0.000 0.000 0.217 418 E C 2.112 178.730 176.600 0.030 0.000 1.069 418 E CA 1.906 58.325 56.400 0.032 0.000 0.877 418 E CB -0.978 28.750 29.700 0.045 0.000 0.757 418 E HN 0.667 nan 8.360 nan 0.000 0.464 419 A N -0.104 122.735 122.820 0.032 0.000 1.832 419 A HA -0.141 4.179 4.320 0.000 0.000 0.214 419 A C 2.231 179.826 177.584 0.019 0.000 1.200 419 A CA 1.570 53.630 52.037 0.038 0.000 0.610 419 A CB -1.024 18.004 19.000 0.046 0.000 0.842 419 A HN 0.360 nan 8.150 nan 0.000 0.444 420 L N -0.476 120.752 121.223 0.008 0.000 2.137 420 L HA -0.156 4.184 4.340 0.000 0.000 0.213 420 L C 2.145 179.012 176.870 -0.005 0.000 1.085 420 L CA 1.780 56.617 54.840 -0.006 0.000 0.760 420 L CB -0.412 41.640 42.059 -0.010 0.000 0.893 420 L HN 0.412 nan 8.230 nan 0.000 0.434 421 L N -1.263 119.963 121.223 0.005 0.000 2.395 421 L HA -0.060 4.280 4.340 0.000 0.000 0.218 421 L C 2.155 179.031 176.870 0.010 0.000 1.130 421 L CA 0.993 55.839 54.840 0.010 0.000 0.826 421 L CB -0.184 41.885 42.059 0.017 0.000 0.941 421 L HN 0.523 nan 8.230 nan 0.000 0.451 422 S N -1.847 113.856 115.700 0.006 0.000 2.502 422 S HA 0.154 4.624 4.470 0.000 0.000 0.215 422 S C 1.964 176.554 174.600 -0.017 0.000 1.009 422 S CA 0.271 58.470 58.200 -0.002 0.000 0.908 422 S CB 0.275 63.472 63.200 -0.004 0.000 0.801 422 S HN 0.235 nan 8.310 nan 0.000 0.505 423 A N 2.509 125.315 122.820 -0.024 0.000 1.940 423 A HA 0.113 4.433 4.320 0.000 0.000 0.219 423 A C 2.161 179.711 177.584 -0.056 0.000 1.176 423 A CA 1.199 53.206 52.037 -0.049 0.000 0.631 423 A CB -0.783 18.181 19.000 -0.061 0.000 0.814 423 A HN 0.520 nan 8.150 nan 0.000 0.446 424 L N -1.196 120.007 121.223 -0.034 0.000 1.988 424 L HA -0.185 4.155 4.340 0.000 0.000 0.207 424 L C 2.717 179.587 176.870 -0.001 0.000 1.071 424 L CA 1.867 56.694 54.840 -0.022 0.000 0.744 424 L CB -0.622 41.436 42.059 -0.002 0.000 0.893 424 L HN 0.447 nan 8.230 nan 0.000 0.433 425 E N 0.726 120.933 120.200 0.012 0.000 2.086 425 E HA -0.263 4.088 4.350 0.000 0.000 0.200 425 E C 1.896 178.505 176.600 0.014 0.000 1.012 425 E CA 1.801 58.214 56.400 0.022 0.000 0.812 425 E CB -0.113 29.600 29.700 0.021 0.000 0.743 425 E HN 0.305 nan 8.360 nan 0.000 0.453 426 N N -0.095 118.602 118.700 -0.005 0.000 2.106 426 N HA -0.102 4.638 4.740 0.000 0.000 0.188 426 N C 1.923 177.433 175.510 0.000 0.000 1.029 426 N CA 0.909 53.955 53.050 -0.006 0.000 0.848 426 N CB -0.485 37.988 38.487 -0.023 0.000 1.007 426 N HN 0.215 nan 8.380 nan 0.000 0.423 427 L N 1.572 122.780 121.223 -0.024 0.000 2.021 427 L HA -0.260 4.080 4.340 0.000 0.000 0.215 427 L C 2.455 179.361 176.870 0.059 0.000 1.074 427 L CA 1.650 56.478 54.840 -0.021 0.000 0.760 427 L CB -0.289 41.700 42.059 -0.117 0.000 0.889 427 L HN 0.265 nan 8.230 nan 0.000 0.433 428 K N -0.191 120.241 120.400 0.053 0.000 2.057 428 K HA -0.247 4.073 4.320 0.000 0.000 0.207 428 K C 2.216 178.848 176.600 0.053 0.000 1.049 428 K CA 1.303 57.627 56.287 0.061 0.000 0.931 428 K CB -0.296 32.239 32.500 0.059 0.000 0.714 428 K HN 0.155 nan 8.250 nan 0.000 0.440 429 R N 0.481 121.013 120.500 0.053 0.000 2.328 429 R HA -0.031 4.309 4.340 0.000 0.000 0.207 429 R C 1.193 177.543 176.300 0.083 0.000 1.056 429 R CA 0.899 57.034 56.100 0.058 0.000 1.016 429 R CB -0.262 30.064 30.300 0.043 0.000 0.872 429 R HN 0.407 nan 8.270 nan 0.000 0.471 430 G N -0.433 108.424 108.800 0.096 0.000 3.279 430 G HA2 0.140 4.100 3.960 0.000 0.000 0.230 430 G HA3 0.140 4.100 3.960 0.000 0.000 0.230 430 G C 0.597 175.641 174.900 0.240 0.000 1.230 430 G CA 0.272 45.463 45.100 0.151 0.000 0.891 430 G HN 0.416 nan 8.290 nan 0.000 0.518 431 G N -0.206 108.690 108.800 0.160 0.000 2.212 431 G HA2 -0.235 3.726 3.960 0.000 0.000 0.255 431 G HA3 -0.235 3.726 3.960 0.000 0.000 0.255 431 G C 0.001 174.706 174.900 -0.325 0.000 1.062 431 G CA 0.039 45.124 45.100 -0.024 0.000 0.815 431 G HN 0.596 nan 8.290 nan 0.000 0.497 432 N N -1.108 117.498 118.700 -0.156 0.000 3.157 432 N HA 0.682 5.422 4.740 0.000 0.000 0.291 432 N C -0.944 174.482 175.510 -0.140 0.000 1.515 432 N CA -0.505 52.421 53.050 -0.206 0.000 0.807 432 N CB 1.561 39.968 38.487 -0.134 0.000 1.672 432 N HN 0.117 nan 8.380 nan 0.000 0.592 433 S N 0.562 116.143 115.700 -0.198 0.000 2.502 433 S HA 0.633 5.103 4.470 0.000 0.000 0.304 433 S C -0.640 173.883 174.600 -0.129 0.000 1.097 433 S CA -0.657 57.456 58.200 -0.145 0.000 1.045 433 S CB 1.067 64.108 63.200 -0.264 0.000 1.019 433 S HN 0.285 nan 8.310 nan 0.000 0.481 434 L N 3.101 124.353 121.223 0.048 0.000 2.329 434 L HA 0.686 5.026 4.340 0.000 0.000 0.279 434 L C -0.894 176.203 176.870 0.378 0.000 1.014 434 L CA -0.490 54.408 54.840 0.096 0.000 0.814 434 L CB 0.459 42.592 42.059 0.124 0.000 1.257 434 L HN 0.438 nan 8.230 nan 0.000 0.424 435 F N 1.598 121.534 119.950 -0.024 0.000 2.538 435 F HA 0.770 5.297 4.527 0.000 0.000 0.325 435 F C -0.034 175.689 175.800 -0.129 0.000 1.066 435 F CA -1.614 56.388 58.000 0.002 0.000 0.946 435 F CB 2.211 41.046 39.000 -0.274 0.000 1.199 435 F HN 0.010 nan 8.300 nan 0.000 0.473 436 V N 3.025 123.038 119.914 0.166 0.000 2.555 436 V HA 0.202 4.322 4.120 0.000 0.000 0.283 436 V C -0.412 175.736 176.094 0.090 0.000 1.020 436 V CA -1.021 61.327 62.300 0.080 0.000 0.883 436 V CB 1.389 33.280 31.823 0.113 0.000 1.030 436 V HN 0.646 nan 8.190 nan 0.000 0.448 437 V N 2.350 122.279 119.914 0.025 0.000 2.843 437 V HA 0.795 4.915 4.120 0.000 0.000 0.305 437 V C -0.292 175.780 176.094 -0.037 0.000 1.065 437 V CA 0.689 63.018 62.300 0.048 0.000 1.116 437 V CB 1.550 33.416 31.823 0.072 0.000 0.968 437 V HN 1.025 nan 8.190 nan 0.000 0.487 438 E N 2.330 122.414 120.200 -0.194 0.000 2.397 438 E HA 0.401 4.751 4.350 0.000 0.000 0.293 438 E C -0.767 175.560 176.600 -0.455 0.000 0.930 438 E CA -0.386 55.873 56.400 -0.235 0.000 0.793 438 E CB 1.297 30.950 29.700 -0.078 0.000 1.259 438 E HN 0.865 nan 8.360 nan 0.000 0.406 439 H N 1.326 120.355 119.070 -0.069 0.000 2.652 439 H HA 0.210 4.766 4.556 0.000 0.000 0.274 439 H C -0.356 174.868 175.328 -0.174 0.000 1.021 439 H CA -0.145 55.797 56.048 -0.178 0.000 1.187 439 H CB 0.730 30.394 29.762 -0.163 0.000 1.505 439 H HN 0.256 nan 8.280 nan 0.000 0.530 440 D N 1.412 121.783 120.400 -0.048 0.000 2.339 440 D HA -0.008 4.632 4.640 0.000 0.000 0.241 440 D C 1.172 177.434 176.300 -0.063 0.000 1.183 440 D CA -0.138 53.833 54.000 -0.048 0.000 0.859 440 D CB 0.856 41.635 40.800 -0.035 0.000 1.067 440 D HN 0.281 nan 8.370 nan 0.000 0.484 441 L N 3.011 124.191 121.223 -0.071 0.000 2.137 441 L HA -0.215 4.125 4.340 0.000 0.000 0.213 441 L C 1.592 178.427 176.870 -0.060 0.000 1.085 441 L CA 1.157 55.951 54.840 -0.076 0.000 0.760 441 L CB -0.163 41.856 42.059 -0.066 0.000 0.893 441 L HN 0.408 nan 8.230 nan 0.000 0.434 442 D N -0.890 119.487 120.400 -0.038 0.000 2.249 442 D HA -0.059 4.581 4.640 0.000 0.000 0.205 442 D C 2.331 178.623 176.300 -0.014 0.000 0.962 442 D CA 0.767 54.755 54.000 -0.021 0.000 0.860 442 D CB 0.088 40.885 40.800 -0.006 0.000 0.955 442 D HN 0.159 nan 8.370 nan 0.000 0.505 443 V N 1.597 121.501 119.914 -0.017 0.000 2.237 443 V HA -0.231 3.889 4.120 0.000 0.000 0.245 443 V C 2.596 178.687 176.094 -0.005 0.000 1.046 443 V CA 1.213 63.509 62.300 -0.006 0.000 1.007 443 V CB -0.459 31.357 31.823 -0.010 0.000 0.638 443 V HN 0.108 nan 8.190 nan 0.000 0.445 444 I N -0.353 120.201 120.570 -0.026 0.000 2.118 444 I HA -0.321 3.849 4.170 0.000 0.000 0.241 444 I C 2.723 178.823 176.117 -0.029 0.000 1.070 444 I CA 1.924 63.206 61.300 -0.031 0.000 1.327 444 I CB -0.442 37.520 38.000 -0.063 0.000 1.034 444 I HN 0.165 nan 8.210 nan 0.000 0.405 445 R N 0.391 120.860 120.500 -0.051 0.000 2.261 445 R HA -0.116 4.224 4.340 0.000 0.000 0.236 445 R C 1.618 177.920 176.300 0.003 0.000 1.141 445 R CA 1.019 57.090 56.100 -0.048 0.000 1.001 445 R CB 0.050 30.314 30.300 -0.061 0.000 0.866 445 R HN 0.258 nan 8.270 nan 0.000 0.468 446 R N -0.802 119.709 120.500 0.019 0.000 2.472 446 R HA 0.247 4.587 4.340 0.000 0.000 0.279 446 R C 0.139 176.481 176.300 0.070 0.000 0.953 446 R CA 0.165 56.292 56.100 0.045 0.000 1.088 446 R CB 0.921 31.244 30.300 0.038 0.000 1.197 446 R HN 0.075 nan 8.270 nan 0.000 0.536 447 A N 0.881 123.742 122.820 0.068 0.000 2.364 447 A HA 0.037 4.357 4.320 0.000 0.000 0.258 447 A C 0.544 178.217 177.584 0.149 0.000 1.131 447 A CA 0.223 52.318 52.037 0.097 0.000 0.800 447 A CB 0.344 19.390 19.000 0.077 0.000 1.086 447 A HN 0.038 nan 8.150 nan 0.000 0.508 448 D N -2.273 118.239 120.400 0.187 0.000 2.470 448 D HA 0.112 4.753 4.640 0.000 0.000 0.238 448 D C -0.250 176.224 176.300 0.289 0.000 1.054 448 D CA 0.545 54.721 54.000 0.294 0.000 0.896 448 D CB 0.364 41.341 40.800 0.294 0.000 1.118 448 D HN 0.570 nan 8.370 nan 0.000 0.497 449 W N 0.973 122.218 121.300 -0.092 0.000 3.127 449 W HA 0.528 5.188 4.660 0.000 0.000 0.330 449 W C -1.829 174.633 176.519 -0.095 0.000 1.187 449 W CA -0.587 56.675 57.345 -0.139 0.000 1.198 449 W CB 1.711 30.989 29.460 -0.302 0.000 1.408 449 W HN -0.315 nan 8.180 nan 0.000 0.529 450 L N 3.773 124.879 121.223 -0.196 0.000 2.386 450 L HA 0.593 4.933 4.340 0.000 0.000 0.271 450 L C -1.040 175.708 176.870 -0.202 0.000 0.993 450 L CA -0.702 54.059 54.840 -0.131 0.000 0.819 450 L CB 2.173 44.209 42.059 -0.038 0.000 1.294 450 L HN 0.079 nan 8.230 nan 0.000 0.414 451 V N 2.867 122.601 119.914 -0.301 0.000 2.378 451 V HA 0.339 4.459 4.120 0.000 0.000 0.288 451 V C -0.884 175.129 176.094 -0.134 0.000 1.016 451 V CA -0.495 61.636 62.300 -0.283 0.000 0.840 451 V CB 1.654 33.090 31.823 -0.646 0.000 0.994 451 V HN 0.645 nan 8.190 nan 0.000 0.431 452 D N 3.515 123.918 120.400 0.006 0.000 2.192 452 D HA 0.531 5.171 4.640 0.000 0.000 0.246 452 D C -0.988 175.345 176.300 0.056 0.000 1.042 452 D CA -0.110 53.921 54.000 0.051 0.000 0.847 452 D CB 2.141 42.984 40.800 0.071 0.000 1.186 452 D HN 0.337 nan 8.370 nan 0.000 0.461 453 V N 3.928 123.881 119.914 0.066 0.000 2.444 453 V HA 0.739 4.859 4.120 0.000 0.000 0.294 453 V C 0.243 176.361 176.094 0.040 0.000 1.022 453 V CA 0.307 62.641 62.300 0.058 0.000 0.850 453 V CB 0.732 32.602 31.823 0.079 0.000 0.992 453 V HN 0.871 nan 8.190 nan 0.000 0.426 454 G N 8.270 117.088 108.800 0.031 0.000 3.719 454 G HA2 -0.146 3.814 3.960 0.000 0.000 0.392 454 G HA3 -0.146 3.814 3.960 0.000 0.000 0.392 454 G C -1.463 173.440 174.900 0.006 0.000 1.348 454 G CA 0.041 45.151 45.100 0.016 0.000 1.294 454 G HN 0.690 nan 8.290 nan 0.000 0.574 455 P HA -0.081 nan 4.420 nan 0.000 0.218 455 P C 0.746 178.034 177.300 -0.021 0.000 1.148 455 P CA 1.834 64.933 63.100 -0.001 0.000 0.822 455 P CB 0.256 31.958 31.700 0.004 0.000 0.784 456 E N -0.980 119.205 120.200 -0.025 0.000 2.892 456 E HA 0.626 4.976 4.350 0.000 0.000 0.160 456 E C -0.377 176.174 176.600 -0.082 0.000 0.783 456 E CA -0.996 55.376 56.400 -0.047 0.000 0.983 456 E CB 0.321 30.007 29.700 -0.024 0.000 1.958 456 E HN -0.151 nan 8.360 nan 0.000 0.371 457 A N 0.084 122.839 122.820 -0.110 0.000 2.281 457 A HA 0.661 4.981 4.320 0.000 0.000 0.329 457 A C 0.637 178.115 177.584 -0.177 0.000 1.122 457 A CA 0.196 52.071 52.037 -0.271 0.000 0.850 457 A CB 0.403 19.095 19.000 -0.512 0.000 1.207 457 A HN 0.698 nan 8.150 nan 0.000 0.495 458 G N 0.574 109.225 108.800 -0.249 0.000 2.661 458 G HA2 -0.374 3.586 3.960 0.000 0.000 0.327 458 G HA3 -0.374 3.586 3.960 0.000 0.000 0.327 458 G C 0.776 175.681 174.900 0.009 0.000 1.320 458 G CA 1.217 46.294 45.100 -0.038 0.000 0.997 458 G HN 0.912 nan 8.290 nan 0.000 0.543 459 E N 0.091 120.321 120.200 0.050 0.000 2.171 459 E HA -0.102 4.248 4.350 0.000 0.000 0.197 459 E C 2.211 178.830 176.600 0.032 0.000 0.997 459 E CA 1.627 58.054 56.400 0.045 0.000 0.810 459 E CB -0.086 29.648 29.700 0.056 0.000 0.738 459 E HN 0.348 nan 8.360 nan 0.000 0.467 460 K N -0.550 119.865 120.400 0.026 0.000 2.522 460 K HA 0.134 4.454 4.320 0.000 0.000 0.194 460 K C 0.207 176.807 176.600 -0.000 0.000 1.026 460 K CA 0.204 56.501 56.287 0.017 0.000 1.119 460 K CB 0.868 33.381 32.500 0.021 0.000 0.856 460 K HN 0.176 nan 8.250 nan 0.000 0.513 461 G N -2.098 106.698 108.800 -0.006 0.000 3.137 461 G HA2 0.435 4.395 3.960 0.000 0.000 0.196 461 G HA3 0.435 4.395 3.960 0.000 0.000 0.196 461 G C -0.032 174.872 174.900 0.007 0.000 1.135 461 G CA -0.188 44.905 45.100 -0.011 0.000 0.803 461 G HN 0.059 nan 8.290 nan 0.000 0.619 462 G N -0.349 108.458 108.800 0.011 0.000 2.273 462 G HA2 -0.155 3.805 3.960 0.000 0.000 0.280 462 G HA3 -0.155 3.805 3.960 0.000 0.000 0.280 462 G C 0.044 174.964 174.900 0.033 0.000 1.047 462 G CA 1.120 46.239 45.100 0.031 0.000 0.869 462 G HN 0.640 nan 8.290 nan 0.000 0.502 463 E N -1.582 118.636 120.200 0.029 0.000 2.339 463 E HA 0.636 4.986 4.350 0.000 0.000 0.262 463 E C -0.604 176.014 176.600 0.030 0.000 0.934 463 E CA -1.282 55.134 56.400 0.028 0.000 0.802 463 E CB 1.244 30.959 29.700 0.024 0.000 1.275 463 E HN 0.043 nan 8.360 nan 0.000 0.427 464 I N 2.609 123.194 120.570 0.025 0.000 2.395 464 I HA 0.073 4.243 4.170 0.000 0.000 0.282 464 I C 0.901 177.039 176.117 0.034 0.000 1.107 464 I CA 0.319 61.633 61.300 0.022 0.000 1.210 464 I CB 0.289 38.291 38.000 0.003 0.000 1.456 464 I HN 0.518 nan 8.210 nan 0.000 0.504 465 L N 4.779 126.035 121.223 0.055 0.000 2.137 465 L HA -0.157 4.183 4.340 0.000 0.000 0.213 465 L C 0.267 177.224 176.870 0.145 0.000 1.085 465 L CA 1.621 56.508 54.840 0.078 0.000 0.760 465 L CB -0.556 41.547 42.059 0.073 0.000 0.893 465 L HN 0.550 nan 8.230 nan 0.000 0.434 466 Y N -1.957 118.312 120.300 -0.052 0.000 2.717 466 Y HA 0.390 4.940 4.550 0.000 0.000 0.345 466 Y C -1.254 174.559 175.900 -0.146 0.000 1.187 466 Y CA -0.915 57.131 58.100 -0.089 0.000 1.128 466 Y CB 1.271 39.677 38.460 -0.089 0.000 1.360 466 Y HN -0.252 nan 8.280 nan 0.000 0.467 467 S N 3.375 118.567 115.700 -0.846 0.000 2.550 467 S HA 0.723 5.193 4.470 0.000 0.000 0.274 467 S C -1.014 172.897 174.600 -1.149 0.000 1.110 467 S CA 0.367 58.172 58.200 -0.659 0.000 1.013 467 S CB 0.508 63.617 63.200 -0.151 0.000 1.152 467 S HN 1.928 nan 8.310 nan 0.000 0.450 468 G N 3.666 111.416 108.800 -1.750 0.000 2.321 468 G HA2 0.470 4.430 3.960 0.000 0.000 0.298 468 G HA3 0.470 4.430 3.960 0.000 0.000 0.298 468 G C -3.714 170.395 174.900 -1.319 0.000 1.385 468 G CA -0.642 43.205 45.100 -2.089 0.000 0.856 468 G HN 0.554 nan 8.290 nan 0.000 0.584 469 P HA 0.218 nan 4.420 nan 0.000 0.269 469 P C -1.681 175.620 177.300 0.001 0.000 1.215 469 P CA -0.724 62.295 63.100 -0.134 0.000 0.780 469 P CB 0.486 32.245 31.700 0.097 0.000 0.898 470 P HA -0.308 nan 4.420 nan 0.000 0.209 470 P C 1.389 178.747 177.300 0.097 0.000 1.080 470 P CA 1.725 64.858 63.100 0.055 0.000 0.971 470 P CB -0.366 31.371 31.700 0.062 0.000 0.768 471 E N -1.133 119.143 120.200 0.128 0.000 2.277 471 E HA -0.253 4.097 4.350 0.000 0.000 0.216 471 E C 2.152 178.703 176.600 -0.083 0.000 1.068 471 E CA 1.900 58.363 56.400 0.105 0.000 0.866 471 E CB -1.348 28.390 29.700 0.064 0.000 0.749 471 E HN 0.418 nan 8.360 nan 0.000 0.465 472 G N 1.186 109.964 108.800 -0.038 0.000 2.450 472 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 472 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 472 G C 1.534 176.125 174.900 -0.515 0.000 1.130 472 G CA 0.658 45.714 45.100 -0.073 0.000 0.760 472 G HN 0.211 nan 8.290 nan 0.000 0.557 473 L N 0.763 121.564 121.223 -0.704 0.000 2.261 473 L HA 0.043 4.383 4.340 0.000 0.000 0.216 473 L C 2.557 179.154 176.870 -0.454 0.000 1.114 473 L CA 1.606 56.032 54.840 -0.691 0.000 0.777 473 L CB -0.576 41.263 42.059 -0.367 0.000 0.910 473 L HN 0.213 nan 8.230 nan 0.000 0.440 474 K N -0.844 119.092 120.400 -0.773 0.000 2.163 474 K HA -0.259 4.061 4.320 0.000 0.000 0.210 474 K C 0.989 177.168 176.600 -0.703 0.000 1.048 474 K CA 2.219 57.783 56.287 -1.205 0.000 0.928 474 K CB -0.196 31.418 32.500 -1.478 0.000 0.716 474 K HN 0.598 nan 8.250 nan 0.000 0.459 475 H N -1.529 117.375 119.070 -0.277 0.000 2.505 475 H HA 0.150 4.706 4.556 0.000 0.000 0.289 475 H C -0.839 174.430 175.328 -0.099 0.000 1.052 475 H CA -0.622 55.332 56.048 -0.156 0.000 1.156 475 H CB 0.779 30.480 29.762 -0.102 0.000 1.507 475 H HN -0.130 nan 8.280 nan 0.000 0.548 476 V N 1.887 121.772 119.914 -0.049 0.000 2.239 476 V HA 0.117 4.237 4.120 0.000 0.000 0.267 476 V C -1.777 174.311 176.094 -0.010 0.000 1.056 476 V CA -1.403 60.891 62.300 -0.010 0.000 0.830 476 V CB 1.116 32.925 31.823 -0.024 0.000 1.090 476 V HN 0.158 nan 8.190 nan 0.000 0.459 477 P HA -0.193 nan 4.420 nan 0.000 0.217 477 P C 1.421 178.722 177.300 0.003 0.000 1.148 477 P CA 1.152 64.251 63.100 -0.002 0.000 0.828 477 P CB 0.312 32.013 31.700 0.002 0.000 0.783 478 E N -0.375 119.831 120.200 0.010 0.000 2.479 478 E HA -0.001 4.349 4.350 0.000 0.000 0.193 478 E C 0.162 176.771 176.600 0.016 0.000 1.049 478 E CA 0.063 56.469 56.400 0.011 0.000 0.870 478 E CB -0.349 29.357 29.700 0.011 0.000 0.944 478 E HN 0.041 nan 8.360 nan 0.000 0.492 479 S N 1.347 117.060 115.700 0.021 0.000 2.430 479 S HA 0.050 4.520 4.470 0.000 0.000 0.282 479 S C 1.043 175.682 174.600 0.065 0.000 1.186 479 S CA -0.457 57.765 58.200 0.037 0.000 1.060 479 S CB 0.942 64.156 63.200 0.023 0.000 0.966 479 S HN 0.219 nan 8.310 nan 0.000 0.501 480 Q N 3.386 123.222 119.800 0.061 0.000 2.079 480 Q HA -0.103 4.237 4.340 0.000 0.000 0.200 480 Q C 2.266 178.461 176.000 0.323 0.000 0.974 480 Q CA 1.770 57.638 55.803 0.109 0.000 0.840 480 Q CB -0.912 27.803 28.738 -0.038 0.000 0.898 480 Q HN 0.941 nan 8.270 nan 0.000 0.430 481 T N 0.206 114.981 114.554 0.368 0.000 2.759 481 T HA -0.140 4.210 4.350 0.000 0.000 0.269 481 T C 1.984 176.847 174.700 0.272 0.000 1.042 481 T CA 1.651 64.036 62.100 0.474 0.000 1.140 481 T CB -0.635 68.492 68.868 0.431 0.000 0.864 481 T HN 0.408 nan 8.240 nan 0.000 0.455 482 G N 0.757 109.676 108.800 0.198 0.000 2.529 482 G HA2 -0.317 3.643 3.960 0.000 0.000 0.219 482 G HA3 -0.317 3.643 3.960 0.000 0.000 0.219 482 G C 1.621 176.688 174.900 0.278 0.000 1.177 482 G CA 1.192 46.433 45.100 0.236 0.000 0.773 482 G HN 0.633 nan 8.290 nan 0.000 0.573 483 Q N -0.858 119.037 119.800 0.159 0.000 2.112 483 Q HA -0.167 4.173 4.340 0.000 0.000 0.206 483 Q C 2.314 178.306 176.000 -0.012 0.000 0.987 483 Q CA 1.841 57.659 55.803 0.026 0.000 0.858 483 Q CB -0.267 28.396 28.738 -0.126 0.000 0.905 483 Q HN 0.730 nan 8.270 nan 0.000 0.420 484 Y N -1.066 119.308 120.300 0.124 0.000 2.475 484 Y HA -0.052 4.498 4.550 0.000 0.000 0.289 484 Y C 1.720 177.623 175.900 0.004 0.000 1.121 484 Y CA 0.180 58.336 58.100 0.094 0.000 1.257 484 Y CB 0.265 38.783 38.460 0.097 0.000 1.026 484 Y HN 0.133 nan 8.280 nan 0.000 0.555 485 L N -1.622 119.620 121.223 0.031 0.000 2.395 485 L HA 0.018 4.358 4.340 0.000 0.000 0.218 485 L C 0.419 176.910 176.870 -0.632 0.000 1.130 485 L CA 1.744 56.374 54.840 -0.350 0.000 0.826 485 L CB -0.371 41.351 42.059 -0.562 0.000 0.941 485 L HN 0.097 nan 8.230 nan 0.000 0.451 486 F N -0.996 118.968 119.950 0.024 0.000 2.856 486 F HA 0.495 5.022 4.527 0.000 0.000 0.338 486 F C 1.148 176.938 175.800 -0.016 0.000 1.100 486 F CA -0.352 57.638 58.000 -0.018 0.000 1.150 486 F CB -0.634 38.334 39.000 -0.054 0.000 1.101 486 F HN -0.076 nan 8.300 nan 0.000 0.548 487 A N 1.964 124.879 122.820 0.160 0.000 2.477 487 A HA 0.250 4.570 4.320 0.000 0.000 0.246 487 A C 0.411 177.937 177.584 -0.096 0.000 1.078 487 A CA -0.305 51.819 52.037 0.145 0.000 0.770 487 A CB -0.230 19.082 19.000 0.520 0.000 1.011 487 A HN 0.380 nan 8.150 nan 0.000 0.494 488 D N 2.544 122.848 120.400 -0.160 0.000 2.361 488 D HA -0.009 4.631 4.640 0.000 0.000 0.239 488 D C -0.339 175.654 176.300 -0.512 0.000 1.200 488 D CA -0.403 53.464 54.000 -0.222 0.000 0.915 488 D CB 0.425 41.161 40.800 -0.107 0.000 1.170 488 D HN 0.454 nan 8.370 nan 0.000 0.444 489 R N 1.424 121.744 120.500 -0.299 0.000 2.936 489 R HA -0.070 4.270 4.340 0.000 0.000 0.361 489 R C -0.442 175.731 176.300 -0.212 0.000 0.873 489 R CA 0.301 56.253 56.100 -0.246 0.000 1.041 489 R CB -1.068 29.174 30.300 -0.097 0.000 0.924 489 R HN 0.429 nan 8.270 nan 0.000 0.401 490 H N 0.466 119.551 119.070 0.024 0.000 3.205 490 H HA 0.009 4.565 4.556 0.000 0.000 0.262 490 H C 0.711 176.056 175.328 0.027 0.000 1.333 490 H CA -0.029 56.032 56.048 0.022 0.000 1.499 490 H CB 0.098 29.874 29.762 0.023 0.000 1.609 490 H HN 0.353 nan 8.280 nan 0.000 0.498 491 T N 1.109 115.720 114.554 0.096 0.000 3.826 491 T HA -0.002 4.348 4.350 0.000 0.000 0.239 491 T C 0.372 175.120 174.700 0.080 0.000 1.007 491 T CA -0.625 61.517 62.100 0.071 0.000 1.171 491 T CB -0.092 68.800 68.868 0.039 0.000 1.153 491 T HN 0.548 nan 8.240 nan 0.000 0.854 492 E N 2.902 123.161 120.200 0.098 0.000 3.351 492 E HA 0.238 4.588 4.350 0.000 0.000 0.220 492 E C -2.220 174.430 176.600 0.084 0.000 1.150 492 E CA -1.477 54.972 56.400 0.082 0.000 1.359 492 E CB 0.633 30.383 29.700 0.083 0.000 1.365 492 E HN 0.638 nan 8.360 nan 0.000 0.434 493 P HA 0.074 nan 4.420 nan 0.000 0.271 493 P C -0.384 176.976 177.300 0.100 0.000 1.216 493 P CA 0.073 63.225 63.100 0.087 0.000 0.771 493 P CB 0.532 32.269 31.700 0.062 0.000 0.864 494 H N 0.686 119.778 119.070 0.036 0.000 2.487 494 H HA 0.399 4.955 4.556 0.000 0.000 0.333 494 H C -0.216 175.134 175.328 0.037 0.000 1.114 494 H CA -0.345 55.724 56.048 0.035 0.000 1.310 494 H CB 0.741 30.525 29.762 0.037 0.000 1.462 494 H HN 0.304 nan 8.280 nan 0.000 0.516 495 T N 5.672 120.098 114.554 -0.213 0.000 2.832 495 T HA 0.246 4.596 4.350 0.000 0.000 0.313 495 T C -2.543 172.187 174.700 0.050 0.000 1.035 495 T CA -1.831 60.242 62.100 -0.045 0.000 0.950 495 T CB 0.482 69.305 68.868 -0.075 0.000 0.984 495 T HN 0.472 nan 8.240 nan 0.000 0.486 496 P HA 0.070 nan 4.420 nan 0.000 0.261 496 P C 0.107 177.503 177.300 0.160 0.000 1.183 496 P CA -0.183 63.073 63.100 0.260 0.000 0.761 496 P CB 0.680 32.515 31.700 0.224 0.000 0.785 497 R N 2.300 122.893 120.500 0.154 0.000 2.590 497 R HA 0.103 4.443 4.340 0.000 0.000 0.274 497 R C 0.709 177.022 176.300 0.021 0.000 1.061 497 R CA -0.235 55.908 56.100 0.070 0.000 1.081 497 R CB 0.413 30.749 30.300 0.061 0.000 0.984 497 R HN 0.479 nan 8.270 nan 0.000 0.448 498 E N 3.924 124.118 120.200 -0.009 0.000 2.324 498 E HA 0.087 4.437 4.350 0.000 0.000 0.271 498 E C -2.071 174.447 176.600 -0.138 0.000 1.028 498 E CA -1.647 54.726 56.400 -0.045 0.000 0.890 498 E CB 0.373 30.057 29.700 -0.026 0.000 1.004 498 E HN 0.279 nan 8.360 nan 0.000 0.431 499 P HA -0.038 nan 4.420 nan 0.000 0.264 499 P C 0.009 177.116 177.300 -0.323 0.000 1.193 499 P CA 0.220 63.038 63.100 -0.470 0.000 0.763 499 P CB 0.661 31.770 31.700 -0.983 0.000 0.810 500 A N 2.582 125.237 122.820 -0.276 0.000 2.251 500 A HA 0.478 4.798 4.320 0.000 0.000 0.209 500 A C 1.036 178.510 177.584 -0.183 0.000 1.187 500 A CA 1.250 53.182 52.037 -0.175 0.000 0.823 500 A CB -0.538 18.392 19.000 -0.116 0.000 0.846 500 A HN 0.667 nan 8.150 nan 0.000 0.486 501 G N -2.598 106.005 108.800 -0.329 0.000 2.393 501 G HA2 0.446 4.406 3.960 0.000 0.000 0.264 501 G HA3 0.446 4.406 3.960 0.000 0.000 0.264 501 G C -1.940 172.643 174.900 -0.528 0.000 1.221 501 G CA -0.525 44.426 45.100 -0.248 0.000 0.912 501 G HN 0.384 nan 8.290 nan 0.000 0.483 502 W N -1.056 120.207 121.300 -0.063 0.000 3.464 502 W HA 0.615 5.275 4.660 0.000 0.000 0.292 502 W C -1.168 175.334 176.519 -0.027 0.000 1.262 502 W CA -0.632 56.673 57.345 -0.068 0.000 1.202 502 W CB 1.929 31.336 29.460 -0.089 0.000 1.334 502 W HN 0.463 nan 8.180 nan 0.000 0.561 503 L N 2.504 123.908 121.223 0.301 0.000 2.406 503 L HA 0.566 4.906 4.340 0.000 0.000 0.272 503 L C -0.545 176.468 176.870 0.240 0.000 0.980 503 L CA -0.395 54.568 54.840 0.204 0.000 0.831 503 L CB 1.438 43.588 42.059 0.151 0.000 1.253 503 L HN 0.398 nan 8.230 nan 0.000 0.406 504 E N 4.529 124.811 120.200 0.137 0.000 2.277 504 E HA 0.463 4.813 4.350 0.000 0.000 0.274 504 E C -1.179 175.490 176.600 0.115 0.000 1.022 504 E CA -0.462 55.999 56.400 0.102 0.000 0.853 504 E CB 2.136 31.857 29.700 0.035 0.000 1.086 504 E HN 0.474 nan 8.360 nan 0.000 0.397 505 L N 3.535 124.837 121.223 0.132 0.000 2.406 505 L HA 0.422 4.762 4.340 0.000 0.000 0.270 505 L C -1.529 175.382 176.870 0.069 0.000 0.982 505 L CA -0.680 54.234 54.840 0.123 0.000 0.843 505 L CB 0.870 43.070 42.059 0.235 0.000 1.225 505 L HN 0.519 nan 8.230 nan 0.000 0.412 506 N N 2.908 121.631 118.700 0.038 0.000 2.362 506 N HA 0.508 5.248 4.740 0.000 0.000 0.298 506 N C 0.574 176.096 175.510 0.019 0.000 1.048 506 N CA 0.378 53.440 53.050 0.020 0.000 0.858 506 N CB 2.063 40.553 38.487 0.005 0.000 1.218 506 N HN 0.788 nan 8.380 nan 0.000 0.488 507 G N 0.003 108.812 108.800 0.015 0.000 2.176 507 G HA2 -0.251 3.709 3.960 0.000 0.000 0.252 507 G HA3 -0.251 3.709 3.960 0.000 0.000 0.252 507 G C 0.111 175.024 174.900 0.022 0.000 1.024 507 G CA 0.370 45.478 45.100 0.014 0.000 0.755 507 G HN 0.641 nan 8.290 nan 0.000 0.507 508 V N 0.843 120.776 119.914 0.031 0.000 2.458 508 V HA 0.545 4.665 4.120 0.000 0.000 0.287 508 V C 0.378 176.492 176.094 0.033 0.000 1.009 508 V CA 1.313 63.637 62.300 0.040 0.000 1.091 508 V CB 0.537 32.396 31.823 0.060 0.000 0.960 508 V HN 0.494 nan 8.190 nan 0.000 0.476 509 T N 8.973 123.546 114.554 0.031 0.000 2.833 509 T HA 0.708 5.058 4.350 0.000 0.000 0.297 509 T C -0.419 174.301 174.700 0.033 0.000 1.015 509 T CA -0.623 61.494 62.100 0.027 0.000 0.963 509 T CB 0.506 69.386 68.868 0.021 0.000 0.955 509 T HN 1.044 nan 8.240 nan 0.000 0.449 510 R N 2.730 123.250 120.500 0.034 0.000 2.765 510 R HA 0.349 4.689 4.340 0.000 0.000 0.277 510 R C -0.391 175.929 176.300 0.034 0.000 1.028 510 R CA -0.795 55.328 56.100 0.037 0.000 0.860 510 R CB 0.435 30.764 30.300 0.048 0.000 1.270 510 R HN 0.469 nan 8.270 nan 0.000 0.484 511 N N 1.316 120.035 118.700 0.031 0.000 1.211 511 N HA -0.372 4.368 4.740 0.000 0.000 0.135 511 N C 0.745 176.271 175.510 0.027 0.000 0.603 511 N CA 2.361 55.428 53.050 0.029 0.000 0.964 511 N CB -1.252 37.254 38.487 0.031 0.000 1.307 511 N HN 0.828 nan 8.380 nan 0.000 0.501 512 N N 1.187 119.902 118.700 0.025 0.000 2.270 512 N HA 0.074 4.814 4.740 0.000 0.000 0.181 512 N C 0.079 175.598 175.510 0.016 0.000 1.016 512 N CA 0.287 53.347 53.050 0.017 0.000 0.870 512 N CB -0.034 38.456 38.487 0.005 0.000 0.979 512 N HN 0.283 nan 8.380 nan 0.000 0.431 513 L N 1.319 122.554 121.223 0.020 0.000 2.315 513 L HA 0.205 4.545 4.340 0.000 0.000 0.283 513 L C -0.703 176.179 176.870 0.019 0.000 1.089 513 L CA -0.080 54.773 54.840 0.021 0.000 0.833 513 L CB 0.589 42.666 42.059 0.031 0.000 1.170 513 L HN 0.002 nan 8.230 nan 0.000 0.442 514 D N 3.236 123.644 120.400 0.014 0.000 2.454 514 D HA 0.179 4.819 4.640 0.000 0.000 0.247 514 D C 0.142 176.447 176.300 0.009 0.000 1.129 514 D CA -0.408 53.599 54.000 0.012 0.000 0.877 514 D CB 0.513 41.318 40.800 0.008 0.000 1.082 514 D HN 0.526 nan 8.370 nan 0.000 0.537 515 N N 2.519 121.226 118.700 0.011 0.000 2.714 515 N HA -0.229 4.511 4.740 0.000 0.000 0.253 515 N C -1.295 174.218 175.510 0.005 0.000 1.024 515 N CA 0.245 53.300 53.050 0.008 0.000 0.726 515 N CB -0.592 37.898 38.487 0.004 0.000 0.908 515 N HN 0.468 nan 8.380 nan 0.000 0.542 516 L N 0.434 121.663 121.223 0.010 0.000 2.312 516 L HA 0.464 4.805 4.340 0.000 0.000 0.281 516 L C -0.504 176.368 176.870 0.004 0.000 1.070 516 L CA -0.269 54.574 54.840 0.005 0.000 0.805 516 L CB 0.815 42.880 42.059 0.010 0.000 1.174 516 L HN 0.104 nan 8.230 nan 0.000 0.434 517 D N 4.660 125.053 120.400 -0.011 0.000 2.381 517 D HA 0.456 5.096 4.640 0.000 0.000 0.235 517 D C -1.061 175.216 176.300 -0.039 0.000 1.068 517 D CA 0.063 54.053 54.000 -0.017 0.000 0.832 517 D CB 2.215 43.002 40.800 -0.022 0.000 1.101 517 D HN 0.332 nan 8.370 nan 0.000 0.515 518 V N 2.888 122.775 119.914 -0.046 0.000 2.925 518 V HA 0.538 4.658 4.120 0.000 0.000 0.311 518 V C -1.307 174.696 176.094 -0.151 0.000 1.104 518 V CA -0.721 61.503 62.300 -0.126 0.000 0.954 518 V CB 2.516 34.223 31.823 -0.192 0.000 1.022 518 V HN 0.423 nan 8.190 nan 0.000 0.427 519 R N 4.777 125.161 120.500 -0.193 0.000 2.476 519 R HA 0.535 4.876 4.340 0.000 0.000 0.305 519 R C -1.764 174.532 176.300 -0.006 0.000 0.965 519 R CA -0.353 55.716 56.100 -0.052 0.000 0.867 519 R CB 1.894 32.169 30.300 -0.042 0.000 1.176 519 R HN 0.539 nan 8.270 nan 0.000 0.447 520 F N 4.202 124.314 119.950 0.270 0.000 2.408 520 F HA 0.351 4.878 4.527 0.000 0.000 0.344 520 F C -1.536 174.285 175.800 0.035 0.000 1.112 520 F CA -2.455 55.662 58.000 0.196 0.000 1.096 520 F CB 0.772 39.836 39.000 0.106 0.000 1.129 520 F HN 0.267 nan 8.300 nan 0.000 0.486 521 P HA 0.261 nan 4.420 nan 0.000 0.274 521 P C -0.957 176.081 177.300 -0.437 0.000 1.256 521 P CA -0.225 62.299 63.100 -0.960 0.000 0.795 521 P CB 1.270 32.163 31.700 -1.345 0.000 1.038 522 L N -0.473 120.456 121.223 -0.491 0.000 2.362 522 L HA 0.603 4.943 4.340 0.000 0.000 0.271 522 L C 1.015 177.773 176.870 -0.187 0.000 1.002 522 L CA -0.702 53.994 54.840 -0.240 0.000 0.818 522 L CB 1.515 43.464 42.059 -0.183 0.000 1.298 522 L HN 0.721 nan 8.230 nan 0.000 0.420 523 G N 1.950 110.694 108.800 -0.094 0.000 2.256 523 G HA2 -0.140 3.821 3.960 0.000 0.000 0.272 523 G HA3 -0.140 3.821 3.960 0.000 0.000 0.272 523 G C -0.563 174.306 174.900 -0.051 0.000 1.076 523 G CA 0.131 45.198 45.100 -0.054 0.000 0.882 523 G HN 0.458 nan 8.290 nan 0.000 0.497 524 V N 0.253 120.143 119.914 -0.040 0.000 2.903 524 V HA 0.563 4.683 4.120 0.000 0.000 0.289 524 V C 0.023 176.125 176.094 0.013 0.000 1.355 524 V CA -0.310 61.971 62.300 -0.031 0.000 0.953 524 V CB 1.977 33.730 31.823 -0.115 0.000 1.102 524 V HN 0.839 nan 8.190 nan 0.000 0.435 525 M N 4.936 124.558 119.600 0.038 0.000 2.162 525 M HA 0.571 5.051 4.480 0.000 0.000 0.356 525 M C -0.456 175.902 176.300 0.096 0.000 1.303 525 M CA 0.897 56.227 55.300 0.050 0.000 1.116 525 M CB 0.948 33.559 32.600 0.018 0.000 1.632 525 M HN 0.681 nan 8.290 nan 0.000 0.469 526 T N 3.492 118.128 114.554 0.137 0.000 2.807 526 T HA 0.447 4.797 4.350 0.000 0.000 0.279 526 T C -0.550 174.248 174.700 0.164 0.000 0.993 526 T CA -0.690 61.546 62.100 0.228 0.000 0.970 526 T CB 1.611 70.694 68.868 0.358 0.000 0.950 526 T HN 0.709 nan 8.240 nan 0.000 0.441 527 S N 1.468 117.244 115.700 0.127 0.000 2.565 527 S HA 0.574 5.044 4.470 0.000 0.000 0.290 527 S C -0.220 174.427 174.600 0.079 0.000 1.150 527 S CA -0.671 57.567 58.200 0.063 0.000 1.058 527 S CB 0.952 64.153 63.200 0.002 0.000 1.032 527 S HN 0.513 nan 8.310 nan 0.000 0.510 528 V N 4.068 124.013 119.914 0.052 0.000 2.257 528 V HA 0.313 4.433 4.120 0.000 0.000 0.269 528 V C 0.697 176.770 176.094 -0.035 0.000 1.040 528 V CA -0.728 61.602 62.300 0.051 0.000 0.813 528 V CB 0.358 32.250 31.823 0.115 0.000 1.065 528 V HN 1.012 nan 8.190 nan 0.000 0.457 529 T N 1.070 115.598 114.554 -0.044 0.000 2.847 529 T HA 0.860 5.210 4.350 0.000 0.000 0.279 529 T C 0.227 174.928 174.700 0.002 0.000 0.984 529 T CA 0.005 62.064 62.100 -0.069 0.000 0.988 529 T CB 1.912 70.740 68.868 -0.065 0.000 1.040 529 T HN 1.327 nan 8.240 nan 0.000 0.528 530 G N -0.268 108.588 108.800 0.094 0.000 2.368 530 G HA2 0.390 4.350 3.960 0.000 0.000 0.301 530 G HA3 0.390 4.350 3.960 0.000 0.000 0.301 530 G C -0.991 174.057 174.900 0.246 0.000 1.640 530 G CA -0.461 44.730 45.100 0.152 0.000 0.941 530 G HN 0.911 nan 8.290 nan 0.000 0.695 531 V N 0.655 120.612 119.914 0.072 0.000 3.237 531 V HA 0.525 4.645 4.120 0.000 0.000 0.305 531 V C 1.313 177.389 176.094 -0.030 0.000 1.096 531 V CA 0.370 62.618 62.300 -0.086 0.000 1.130 531 V CB 1.667 33.342 31.823 -0.248 0.000 1.048 531 V HN 1.115 nan 8.190 nan 0.000 0.484 532 S N 2.999 118.683 115.700 -0.027 0.000 2.443 532 S HA 0.460 4.930 4.470 0.000 0.000 0.284 532 S C 0.856 175.239 174.600 -0.362 0.000 1.206 532 S CA 0.667 58.834 58.200 -0.055 0.000 1.074 532 S CB -0.261 62.962 63.200 0.040 0.000 0.963 532 S HN 1.628 nan 8.310 nan 0.000 0.501 533 G N 2.824 111.271 108.800 -0.588 0.000 2.255 533 G HA2 -0.258 3.702 3.960 0.000 0.000 0.196 533 G HA3 -0.258 3.702 3.960 0.000 0.000 0.196 533 G C 1.027 175.565 174.900 -0.603 0.000 0.998 533 G CA 0.433 44.730 45.100 -1.338 0.000 0.656 533 G HN 1.047 nan 8.290 nan 0.000 0.490 534 S N -0.245 115.273 115.700 -0.304 0.000 2.453 534 S HA 0.418 4.888 4.470 0.000 0.000 0.231 534 S C 2.056 176.600 174.600 -0.093 0.000 1.005 534 S CA 1.947 60.051 58.200 -0.159 0.000 0.949 534 S CB 0.282 63.427 63.200 -0.093 0.000 0.774 534 S HN 2.246 nan 8.310 nan 0.000 0.510 535 G N 1.008 109.764 108.800 -0.074 0.000 3.302 535 G HA2 -0.137 3.823 3.960 0.000 0.000 0.216 535 G HA3 -0.137 3.823 3.960 0.000 0.000 0.216 535 G C 0.857 175.767 174.900 0.017 0.000 1.008 535 G CA 0.052 45.141 45.100 -0.018 0.000 0.852 535 G HN 0.357 nan 8.290 nan 0.000 0.485 536 K N 1.502 121.912 120.400 0.016 0.000 2.071 536 K HA -0.238 4.082 4.320 0.000 0.000 0.217 536 K C 2.861 179.496 176.600 0.058 0.000 1.054 536 K CA 2.467 58.777 56.287 0.038 0.000 0.937 536 K CB -0.368 32.139 32.500 0.010 0.000 0.719 536 K HN 0.570 nan 8.250 nan 0.000 0.454 537 S N 0.676 116.411 115.700 0.059 0.000 2.338 537 S HA -0.183 4.287 4.470 0.000 0.000 0.218 537 S C 2.352 177.002 174.600 0.083 0.000 1.032 537 S CA 1.796 60.042 58.200 0.077 0.000 0.999 537 S CB -1.206 62.050 63.200 0.093 0.000 0.905 537 S HN 0.515 nan 8.310 nan 0.000 0.439 538 T N 0.976 115.578 114.554 0.080 0.000 2.760 538 T HA -0.131 4.219 4.350 0.000 0.000 0.269 538 T C 1.702 176.452 174.700 0.084 0.000 1.047 538 T CA 1.526 63.678 62.100 0.086 0.000 1.139 538 T CB -0.737 68.171 68.868 0.067 0.000 0.855 538 T HN 0.306 nan 8.240 nan 0.000 0.471 539 L N 0.109 121.384 121.223 0.086 0.000 2.131 539 L HA 0.267 4.607 4.340 0.000 0.000 0.206 539 L C 2.426 179.375 176.870 0.131 0.000 1.087 539 L CA 1.124 56.034 54.840 0.116 0.000 0.767 539 L CB -0.132 42.007 42.059 0.134 0.000 0.917 539 L HN 0.214 nan 8.230 nan 0.000 0.441 540 V N -2.114 117.861 119.914 0.102 0.000 2.484 540 V HA 0.010 4.130 4.120 0.000 0.000 0.236 540 V C 2.299 178.404 176.094 0.018 0.000 1.062 540 V CA 1.390 63.721 62.300 0.051 0.000 1.081 540 V CB 0.047 31.902 31.823 0.052 0.000 0.751 540 V HN 0.310 nan 8.190 nan 0.000 0.484 541 S N -1.100 114.624 115.700 0.039 0.000 2.436 541 S HA -0.076 4.394 4.470 0.000 0.000 0.228 541 S C 1.762 176.385 174.600 0.038 0.000 1.014 541 S CA 1.123 59.343 58.200 0.033 0.000 0.950 541 S CB 0.028 63.256 63.200 0.047 0.000 0.784 541 S HN 0.544 nan 8.310 nan 0.000 0.504 542 Q N 0.485 120.323 119.800 0.064 0.000 2.010 542 Q HA 0.251 4.591 4.340 0.000 0.000 0.215 542 Q C 2.545 178.578 176.000 0.056 0.000 0.984 542 Q CA 0.644 56.490 55.803 0.072 0.000 0.853 542 Q CB -0.505 28.306 28.738 0.122 0.000 0.922 542 Q HN 0.420 nan 8.270 nan 0.000 0.478 543 A N 1.418 124.279 122.820 0.068 0.000 1.873 543 A HA -0.275 4.045 4.320 0.000 0.000 0.219 543 A C 2.110 179.721 177.584 0.046 0.000 1.269 543 A CA 2.206 54.281 52.037 0.063 0.000 0.671 543 A CB -1.274 17.774 19.000 0.080 0.000 0.842 543 A HN 0.426 nan 8.150 nan 0.000 0.460 544 L N -0.198 121.049 121.223 0.039 0.000 2.079 544 L HA -0.134 4.206 4.340 0.000 0.000 0.210 544 L C 2.319 179.175 176.870 -0.024 0.000 1.081 544 L CA 2.199 57.035 54.840 -0.005 0.000 0.752 544 L CB -0.330 41.668 42.059 -0.101 0.000 0.896 544 L HN 0.208 nan 8.230 nan 0.000 0.433 545 V N -0.278 119.628 119.914 -0.013 0.000 2.323 545 V HA -0.242 3.878 4.120 0.000 0.000 0.244 545 V C 2.062 178.165 176.094 0.015 0.000 1.041 545 V CA 1.974 64.272 62.300 -0.004 0.000 1.025 545 V CB -1.003 30.820 31.823 -0.001 0.000 0.656 545 V HN 0.445 nan 8.190 nan 0.000 0.451 546 D N 1.306 121.717 120.400 0.018 0.000 2.144 546 D HA -0.060 4.580 4.640 0.000 0.000 0.200 546 D C 2.148 178.462 176.300 0.023 0.000 0.978 546 D CA 1.287 55.301 54.000 0.023 0.000 0.833 546 D CB -0.376 40.438 40.800 0.023 0.000 0.961 546 D HN 0.425 nan 8.370 nan 0.000 0.470 547 A N 0.325 123.155 122.820 0.016 0.000 1.978 547 A HA -0.129 4.191 4.320 0.000 0.000 0.220 547 A C 2.034 179.612 177.584 -0.011 0.000 1.170 547 A CA 1.057 53.097 52.037 0.005 0.000 0.636 547 A CB -0.492 18.511 19.000 0.005 0.000 0.810 547 A HN 0.241 nan 8.150 nan 0.000 0.448 548 L N -2.052 119.168 121.223 -0.006 0.000 2.357 548 L HA 0.083 4.423 4.340 0.000 0.000 0.211 548 L C 2.951 179.860 176.870 0.065 0.000 1.075 548 L CA 0.727 55.557 54.840 -0.016 0.000 0.830 548 L CB -0.477 41.586 42.059 0.006 0.000 0.996 548 L HN 0.398 nan 8.230 nan 0.000 0.467 549 A N 0.619 123.494 122.820 0.092 0.000 1.873 549 A HA -0.129 4.191 4.320 0.000 0.000 0.215 549 A C 2.470 180.113 177.584 0.098 0.000 1.186 549 A CA 1.726 53.840 52.037 0.128 0.000 0.616 549 A CB -0.584 18.462 19.000 0.077 0.000 0.823 549 A HN 0.345 nan 8.150 nan 0.000 0.442 550 A N -1.068 121.783 122.820 0.052 0.000 1.969 550 A HA -0.148 4.172 4.320 0.000 0.000 0.218 550 A C 1.939 179.528 177.584 0.009 0.000 1.169 550 A CA 1.952 54.008 52.037 0.032 0.000 0.635 550 A CB -0.834 18.181 19.000 0.025 0.000 0.810 550 A HN 0.795 nan 8.150 nan 0.000 0.445 551 H N -1.848 117.144 119.070 -0.130 0.000 2.521 551 H HA 0.138 4.694 4.556 0.000 0.000 0.286 551 H C -0.052 175.074 175.328 -0.337 0.000 1.034 551 H CA 0.644 56.532 56.048 -0.266 0.000 1.278 551 H CB -0.222 29.295 29.762 -0.408 0.000 1.386 551 H HN 0.440 nan 8.280 nan 0.000 0.567 552 F N -1.620 118.267 119.950 -0.105 0.000 2.483 552 F HA 0.321 4.848 4.527 0.000 0.000 0.329 552 F C 1.849 177.590 175.800 -0.098 0.000 1.064 552 F CA -0.585 57.327 58.000 -0.147 0.000 0.986 552 F CB 1.499 40.460 39.000 -0.065 0.000 1.218 552 F HN 0.072 nan 8.300 nan 0.000 0.484 553 G N 0.239 109.127 108.800 0.146 0.000 2.586 553 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 553 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 553 G C 0.524 175.458 174.900 0.058 0.000 1.216 553 G CA 0.481 45.616 45.100 0.057 0.000 0.786 553 G HN 0.493 nan 8.290 nan 0.000 0.583 554 Q N 2.156 121.989 119.800 0.055 0.000 2.244 554 Q HA 0.233 4.573 4.340 0.000 0.000 0.276 554 Q C -2.348 173.683 176.000 0.053 0.000 1.122 554 Q CA -1.562 54.258 55.803 0.028 0.000 0.920 554 Q CB 0.800 29.529 28.738 -0.017 0.000 1.186 554 Q HN 0.130 nan 8.270 nan 0.000 0.393 555 P HA 0.017 nan 4.420 nan 0.000 0.273 555 P C -0.892 176.420 177.300 0.019 0.000 1.319 555 P CA -0.145 62.973 63.100 0.030 0.000 0.885 555 P CB 0.485 32.196 31.700 0.019 0.000 1.015 556 V N 4.400 124.329 119.914 0.025 0.000 2.740 556 V HA 0.105 4.225 4.120 0.000 0.000 0.303 556 V C 0.877 176.975 176.094 0.007 0.000 1.054 556 V CA 0.159 62.467 62.300 0.013 0.000 1.106 556 V CB -0.153 31.681 31.823 0.018 0.000 0.957 556 V HN 0.907 nan 8.190 nan 0.000 0.486 557 N N 3.121 121.824 118.700 0.005 0.000 4.348 557 N HA -0.055 4.685 4.740 0.000 0.000 0.234 557 N C -2.973 172.540 175.510 0.004 0.000 2.145 557 N CA -0.830 52.223 53.050 0.005 0.000 2.631 557 N CB 0.174 38.660 38.487 -0.002 0.000 0.503 557 N HN 0.466 nan 8.380 nan 0.000 0.563 558 P HA 0.172 nan 4.420 nan 0.000 0.271 558 P C 0.225 177.527 177.300 0.003 0.000 1.233 558 P CA -0.147 62.955 63.100 0.004 0.000 0.789 558 P CB 0.524 32.230 31.700 0.011 0.000 0.951 559 D N 0.514 120.913 120.400 -0.001 0.000 2.162 559 D HA -0.053 4.587 4.640 0.000 0.000 0.203 559 D C -0.716 175.586 176.300 0.003 0.000 0.967 559 D CA 1.392 55.391 54.000 -0.001 0.000 0.840 559 D CB -1.988 38.810 40.800 -0.004 0.000 0.972 559 D HN 0.385 nan 8.370 nan 0.000 0.482 560 P HA -0.057 nan 4.420 nan 0.000 0.221 560 P C -0.032 177.277 177.300 0.014 0.000 1.145 560 P CA 1.016 64.123 63.100 0.012 0.000 0.795 560 P CB 0.114 31.824 31.700 0.017 0.000 0.775 561 E N 0.769 120.978 120.200 0.015 0.000 2.231 561 E HA 0.214 4.564 4.350 0.000 0.000 0.277 561 E C -0.110 176.493 176.600 0.005 0.000 0.999 561 E CA -0.462 55.946 56.400 0.012 0.000 0.827 561 E CB 0.932 30.643 29.700 0.018 0.000 1.101 561 E HN 0.232 nan 8.360 nan 0.000 0.393 562 D N 0.385 120.786 120.400 0.002 0.000 2.570 562 D HA 0.347 4.987 4.640 0.000 0.000 0.266 562 D C 0.075 176.371 176.300 -0.007 0.000 1.182 562 D CA -0.288 53.711 54.000 -0.002 0.000 1.088 562 D CB 0.772 41.572 40.800 0.001 0.000 1.186 562 D HN 0.261 nan 8.370 nan 0.000 0.618 563 D N -2.063 118.331 120.400 -0.009 0.000 2.900 563 D HA 0.072 4.712 4.640 0.000 0.000 0.175 563 D C -0.797 175.497 176.300 -0.010 0.000 1.476 563 D CA 0.259 54.244 54.000 -0.024 0.000 1.488 563 D CB 0.675 41.447 40.800 -0.047 0.000 1.426 563 D HN 0.653 nan 8.370 nan 0.000 0.295 564 E N 1.169 121.372 120.200 0.006 0.000 2.294 564 E HA 0.248 4.599 4.350 0.000 0.000 0.272 564 E C -1.379 175.251 176.600 0.050 0.000 0.896 564 E CA -0.676 55.746 56.400 0.037 0.000 0.802 564 E CB 1.809 31.538 29.700 0.048 0.000 1.267 564 E HN -0.223 nan 8.360 nan 0.000 0.406 565 D N 5.054 125.487 120.400 0.055 0.000 2.518 565 D HA -0.045 4.595 4.640 0.000 0.000 0.270 565 D C -1.174 175.173 176.300 0.077 0.000 1.338 565 D CA -1.235 52.802 54.000 0.063 0.000 0.983 565 D CB 0.477 41.311 40.800 0.056 0.000 1.126 565 D HN 0.310 nan 8.370 nan 0.000 0.543 566 P HA -0.295 nan 4.420 nan 0.000 0.231 566 P C -0.410 176.934 177.300 0.073 0.000 0.982 566 P CA 2.242 65.388 63.100 0.076 0.000 1.072 566 P CB -0.045 31.712 31.700 0.095 0.000 0.706 567 A N -0.593 122.273 122.820 0.077 0.000 2.323 567 A HA 0.492 4.812 4.320 0.000 0.000 0.305 567 A C 0.028 177.658 177.584 0.077 0.000 1.275 567 A CA -0.090 51.992 52.037 0.074 0.000 0.804 567 A CB 0.628 19.664 19.000 0.059 0.000 1.152 567 A HN 0.248 nan 8.150 nan 0.000 0.487 568 D N -0.182 120.280 120.400 0.103 0.000 2.430 568 D HA 0.090 4.730 4.640 0.000 0.000 0.289 568 D C 0.277 176.605 176.300 0.046 0.000 1.215 568 D CA 0.386 54.434 54.000 0.079 0.000 0.838 568 D CB -0.179 40.669 40.800 0.080 0.000 1.290 568 D HN 0.529 nan 8.370 nan 0.000 0.521 569 H N -0.127 118.961 119.070 0.031 0.000 2.713 569 H HA 0.573 5.129 4.556 0.000 0.000 0.340 569 H C -0.386 174.960 175.328 0.030 0.000 1.271 569 H CA -0.493 55.574 56.048 0.032 0.000 1.306 569 H CB 2.157 31.938 29.762 0.031 0.000 1.839 569 H HN -0.046 nan 8.280 nan 0.000 0.627 570 T N -0.835 113.813 114.554 0.156 0.000 2.902 570 T HA 0.409 4.759 4.350 0.000 0.000 0.283 570 T C 0.963 175.712 174.700 0.082 0.000 1.009 570 T CA -0.044 62.109 62.100 0.088 0.000 1.051 570 T CB 1.090 69.995 68.868 0.061 0.000 0.999 570 T HN 0.637 nan 8.240 nan 0.000 0.474 571 A N 3.142 125.997 122.820 0.057 0.000 2.067 571 A HA 0.346 4.666 4.320 0.000 0.000 0.217 571 A C 1.629 179.238 177.584 0.042 0.000 1.156 571 A CA 0.656 52.721 52.037 0.046 0.000 0.683 571 A CB -1.072 17.949 19.000 0.035 0.000 0.808 571 A HN 1.181 nan 8.150 nan 0.000 0.455 572 G N 0.825 109.651 108.800 0.043 0.000 2.193 572 G HA2 0.242 4.202 3.960 0.000 0.000 0.275 572 G HA3 0.242 4.202 3.960 0.000 0.000 0.275 572 G C 0.289 175.211 174.900 0.038 0.000 0.882 572 G CA 0.708 45.831 45.100 0.037 0.000 1.135 572 G HN 0.309 nan 8.290 nan 0.000 0.349 573 S N 0.711 116.429 115.700 0.031 0.000 2.719 573 S HA 0.923 5.393 4.470 0.000 0.000 0.285 573 S C 0.377 174.994 174.600 0.028 0.000 1.137 573 S CA 0.282 58.499 58.200 0.029 0.000 1.012 573 S CB 1.297 64.512 63.200 0.024 0.000 1.134 573 S HN 1.824 nan 8.310 nan 0.000 0.544 574 A N 0.907 123.742 122.820 0.025 0.000 2.550 574 A HA 0.583 4.903 4.320 0.000 0.000 0.295 574 A C -1.659 175.936 177.584 0.019 0.000 1.001 574 A CA -0.936 51.116 52.037 0.024 0.000 0.660 574 A CB 0.880 19.899 19.000 0.033 0.000 1.308 574 A HN 0.737 nan 8.150 nan 0.000 0.426 575 R N 0.798 121.307 120.500 0.015 0.000 2.599 575 R HA 0.765 5.105 4.340 0.000 0.000 0.295 575 R C -1.025 175.274 176.300 -0.001 0.000 0.963 575 R CA -0.571 55.532 56.100 0.004 0.000 0.883 575 R CB 1.027 31.328 30.300 0.002 0.000 1.171 575 R HN 1.049 nan 8.270 nan 0.000 0.450 576 L N -0.885 120.325 121.223 -0.022 0.000 2.347 576 L HA 1.002 5.342 4.340 0.000 0.000 0.268 576 L C 0.247 177.085 176.870 -0.053 0.000 1.019 576 L CA -0.996 53.821 54.840 -0.039 0.000 0.806 576 L CB 0.775 42.781 42.059 -0.089 0.000 1.339 576 L HN 0.982 nan 8.230 nan 0.000 0.463 577 G N -2.783 105.985 108.800 -0.054 0.000 2.368 577 G HA2 0.613 4.573 3.960 0.000 0.000 0.303 577 G HA3 0.613 4.573 3.960 0.000 0.000 0.303 577 G C -0.566 174.326 174.900 -0.013 0.000 1.590 577 G CA 0.191 45.263 45.100 -0.047 0.000 0.938 577 G HN 1.591 nan 8.290 nan 0.000 0.675 578 G N 0.102 108.898 108.800 -0.006 0.000 1.969 578 G HA2 0.260 4.220 3.960 0.000 0.000 0.055 578 G HA3 0.260 4.220 3.960 0.000 0.000 0.055 578 G C -0.775 174.143 174.900 0.030 0.000 0.734 578 G CA 0.716 45.837 45.100 0.034 0.000 1.109 578 G HN 0.907 nan 8.290 nan 0.000 0.348 579 D N 1.310 121.732 120.400 0.036 0.000 2.670 579 D HA 0.408 5.048 4.640 0.000 0.000 0.255 579 D C 1.829 178.130 176.300 0.001 0.000 1.286 579 D CA -0.301 53.715 54.000 0.026 0.000 0.830 579 D CB 0.749 41.574 40.800 0.041 0.000 1.065 579 D HN 0.166 nan 8.370 nan 0.000 0.486 580 L N 0.557 121.759 121.223 -0.035 0.000 2.261 580 L HA -0.093 4.247 4.340 0.000 0.000 0.216 580 L C 2.391 179.269 176.870 0.013 0.000 1.114 580 L CA 1.026 55.822 54.840 -0.072 0.000 0.777 580 L CB -1.021 40.892 42.059 -0.242 0.000 0.910 580 L HN 0.122 nan 8.230 nan 0.000 0.440 581 A N -0.480 122.356 122.820 0.026 0.000 2.032 581 A HA -0.260 4.060 4.320 0.000 0.000 0.221 581 A C 2.214 179.829 177.584 0.051 0.000 1.165 581 A CA 1.727 53.794 52.037 0.049 0.000 0.645 581 A CB -0.469 18.551 19.000 0.034 0.000 0.807 581 A HN 0.639 nan 8.150 nan 0.000 0.453 582 Q N -0.742 119.079 119.800 0.036 0.000 2.425 582 Q HA 0.250 4.591 4.340 0.000 0.000 0.204 582 Q C 0.403 176.429 176.000 0.044 0.000 0.933 582 Q CA 0.233 56.053 55.803 0.028 0.000 0.939 582 Q CB -0.220 28.520 28.738 0.004 0.000 1.044 582 Q HN 0.914 nan 8.270 nan 0.000 0.513 583 I N -2.314 118.303 120.570 0.079 0.000 2.437 583 I HA 0.372 4.542 4.170 0.000 0.000 0.298 583 I C 0.749 177.022 176.117 0.259 0.000 0.984 583 I CA -0.415 60.963 61.300 0.130 0.000 1.214 583 I CB 1.873 39.947 38.000 0.122 0.000 1.365 583 I HN -0.149 nan 8.210 nan 0.000 0.469 584 T N 2.794 117.456 114.554 0.180 0.000 2.969 584 T HA 0.429 4.779 4.350 0.000 0.000 0.258 584 T C 0.616 175.105 174.700 -0.353 0.000 0.962 584 T CA -0.209 61.940 62.100 0.081 0.000 0.903 584 T CB 0.158 69.013 68.868 -0.022 0.000 1.177 584 T HN 0.735 nan 8.240 nan 0.000 0.511 585 R N 0.266 120.592 120.500 -0.290 0.000 2.626 585 R HA 0.663 5.003 4.340 0.000 0.000 0.274 585 R C -2.196 173.986 176.300 -0.196 0.000 1.031 585 R CA -0.793 55.017 56.100 -0.484 0.000 0.898 585 R CB 2.223 32.321 30.300 -0.336 0.000 1.222 585 R HN 0.250 nan 8.270 nan 0.000 0.455 586 L N 3.156 124.291 121.223 -0.148 0.000 2.317 586 L HA 0.696 5.036 4.340 0.000 0.000 0.281 586 L C -1.340 175.465 176.870 -0.108 0.000 1.024 586 L CA -0.513 54.314 54.840 -0.021 0.000 0.810 586 L CB 1.989 44.139 42.059 0.152 0.000 1.240 586 L HN 0.404 nan 8.230 nan 0.000 0.427 587 V N 5.885 125.723 119.914 -0.127 0.000 2.555 587 V HA 0.556 4.676 4.120 0.000 0.000 0.283 587 V C -0.710 175.402 176.094 0.030 0.000 1.020 587 V CA -0.540 61.722 62.300 -0.064 0.000 0.883 587 V CB 1.204 32.964 31.823 -0.104 0.000 1.030 587 V HN 0.963 nan 8.190 nan 0.000 0.448 588 R N 4.821 125.341 120.500 0.035 0.000 2.500 588 R HA 0.835 5.175 4.340 0.000 0.000 0.275 588 R C -1.185 175.155 176.300 0.067 0.000 1.051 588 R CA -0.646 55.482 56.100 0.047 0.000 1.088 588 R CB 1.710 32.024 30.300 0.024 0.000 1.063 588 R HN 0.359 nan 8.270 nan 0.000 0.511 589 V N 3.014 122.965 119.914 0.062 0.000 2.447 589 V HA 0.275 4.395 4.120 0.000 0.000 0.292 589 V C -0.858 175.252 176.094 0.027 0.000 1.021 589 V CA -0.722 61.608 62.300 0.050 0.000 0.850 589 V CB 1.191 33.045 31.823 0.052 0.000 1.005 589 V HN 1.055 nan 8.190 nan 0.000 0.426 590 D N 4.030 124.440 120.400 0.016 0.000 2.497 590 D HA 0.227 4.867 4.640 0.000 0.000 0.243 590 D C 0.384 176.678 176.300 -0.010 0.000 1.039 590 D CA -0.649 53.356 54.000 0.008 0.000 1.052 590 D CB 1.815 42.621 40.800 0.011 0.000 1.344 590 D HN 0.405 nan 8.370 nan 0.000 0.553 591 Q N -0.278 119.515 119.800 -0.011 0.000 2.444 591 Q HA 0.025 4.365 4.340 0.000 0.000 0.206 591 Q C -0.190 175.785 176.000 -0.040 0.000 0.948 591 Q CA 0.186 55.972 55.803 -0.028 0.000 0.946 591 Q CB -0.031 28.696 28.738 -0.019 0.000 1.027 591 Q HN 0.270 nan 8.270 nan 0.000 0.513 592 K N 3.319 123.700 120.400 -0.032 0.000 2.451 592 K HA 0.179 4.500 4.320 0.000 0.000 0.280 592 K C -2.167 174.393 176.600 -0.067 0.000 1.020 592 K CA -1.427 54.837 56.287 -0.039 0.000 1.008 592 K CB 0.191 32.678 32.500 -0.021 0.000 0.917 592 K HN 0.141 nan 8.250 nan 0.000 0.478 593 P HA -0.135 nan 4.420 nan 0.000 0.268 593 P C 0.915 178.126 177.300 -0.148 0.000 1.189 593 P CA 0.442 63.473 63.100 -0.116 0.000 0.771 593 P CB 0.247 31.890 31.700 -0.094 0.000 0.822 594 I N -1.231 119.191 120.570 -0.247 0.000 2.916 594 I HA 0.171 4.341 4.170 0.000 0.000 0.267 594 I C 0.747 176.821 176.117 -0.072 0.000 1.263 594 I CA 0.707 61.807 61.300 -0.333 0.000 1.471 594 I CB -0.443 37.155 38.000 -0.669 0.000 1.089 594 I HN 0.356 nan 8.210 nan 0.000 0.468 595 G N 1.609 110.364 108.800 -0.075 0.000 2.556 595 G HA2 0.385 4.345 3.960 0.000 0.000 0.294 595 G HA3 0.385 4.345 3.960 0.000 0.000 0.294 595 G C -0.126 174.736 174.900 -0.064 0.000 1.516 595 G CA -0.748 44.330 45.100 -0.036 0.000 0.824 595 G HN 0.303 nan 8.290 nan 0.000 0.535 596 R N -0.823 119.654 120.500 -0.038 0.000 2.427 596 R HA 0.343 4.683 4.340 0.000 0.000 0.262 596 R C 0.425 176.703 176.300 -0.038 0.000 0.943 596 R CA 0.393 56.470 56.100 -0.038 0.000 1.081 596 R CB 0.373 30.668 30.300 -0.009 0.000 1.166 596 R HN 0.677 nan 8.270 nan 0.000 0.534 597 T N -3.295 111.214 114.554 -0.075 0.000 2.868 597 T HA 0.327 4.677 4.350 0.000 0.000 0.306 597 T C -2.555 172.023 174.700 -0.202 0.000 1.224 597 T CA -1.872 60.166 62.100 -0.103 0.000 1.012 597 T CB 2.530 71.416 68.868 0.030 0.000 1.221 597 T HN -0.306 nan 8.240 nan 0.000 0.499 598 P HA -0.066 nan 4.420 nan 0.000 0.222 598 P C 1.700 178.927 177.300 -0.122 0.000 1.142 598 P CA 0.430 63.338 63.100 -0.319 0.000 0.788 598 P CB 0.059 31.551 31.700 -0.346 0.000 0.767 599 R N -0.367 120.125 120.500 -0.013 0.000 2.133 599 R HA -0.068 4.273 4.340 0.000 0.000 0.247 599 R C 0.651 177.034 176.300 0.139 0.000 1.151 599 R CA 1.146 57.306 56.100 0.100 0.000 0.971 599 R CB -1.136 29.217 30.300 0.088 0.000 0.866 599 R HN 0.148 nan 8.270 nan 0.000 0.447 600 S N 1.038 116.757 115.700 0.032 0.000 2.474 600 S HA 0.198 4.668 4.470 0.000 0.000 0.320 600 S C -0.423 174.170 174.600 -0.012 0.000 1.067 600 S CA -0.809 57.419 58.200 0.046 0.000 1.127 600 S CB 0.430 63.645 63.200 0.025 0.000 0.971 600 S HN 0.404 nan 8.310 nan 0.000 0.472 601 N N 2.859 121.577 118.700 0.030 0.000 2.741 601 N HA 0.428 5.168 4.740 0.000 0.000 0.310 601 N C 0.999 176.516 175.510 0.012 0.000 1.295 601 N CA -0.867 52.159 53.050 -0.040 0.000 0.893 601 N CB 0.206 38.636 38.487 -0.096 0.000 1.247 601 N HN 0.338 nan 8.380 nan 0.000 0.596 602 M N -0.370 119.216 119.600 -0.024 0.000 2.067 602 M HA -0.026 4.454 4.480 0.000 0.000 0.260 602 M C 1.831 178.171 176.300 0.065 0.000 1.069 602 M CA 2.174 57.481 55.300 0.011 0.000 1.117 602 M CB -0.485 32.095 32.600 -0.032 0.000 1.334 602 M HN 0.784 nan 8.290 nan 0.000 0.407 603 A N -1.121 121.717 122.820 0.030 0.000 1.948 603 A HA -0.198 4.122 4.320 0.000 0.000 0.220 603 A C 2.125 179.777 177.584 0.113 0.000 1.177 603 A CA 2.465 54.541 52.037 0.065 0.000 0.636 603 A CB -1.210 17.784 19.000 -0.009 0.000 0.815 603 A HN 0.561 nan 8.150 nan 0.000 0.449 604 T N -2.703 111.904 114.554 0.090 0.000 2.976 604 T HA -0.000 4.350 4.350 0.000 0.000 0.257 604 T C 1.684 176.441 174.700 0.095 0.000 1.051 604 T CA 1.076 63.236 62.100 0.101 0.000 1.141 604 T CB -0.273 68.641 68.868 0.076 0.000 0.881 604 T HN 0.549 nan 8.240 nan 0.000 0.461 605 Y N 1.968 122.273 120.300 0.008 0.000 2.352 605 Y HA -0.159 4.391 4.550 0.000 0.000 0.292 605 Y C 2.692 178.592 175.900 0.000 0.000 1.136 605 Y CA 1.716 59.814 58.100 -0.003 0.000 1.227 605 Y CB -0.179 38.270 38.460 -0.018 0.000 0.991 605 Y HN 0.295 nan 8.280 nan 0.000 0.545 606 T N -3.474 111.153 114.554 0.122 0.000 2.809 606 T HA 0.176 4.526 4.350 0.000 0.000 0.260 606 T C 1.864 176.552 174.700 -0.019 0.000 1.039 606 T CA 1.418 63.545 62.100 0.045 0.000 1.141 606 T CB -0.444 68.466 68.868 0.070 0.000 0.869 606 T HN 0.565 nan 8.240 nan 0.000 0.437 607 G N 1.064 109.875 108.800 0.019 0.000 2.231 607 G HA2 -0.232 3.728 3.960 0.000 0.000 0.206 607 G HA3 -0.232 3.728 3.960 0.000 0.000 0.206 607 G C 0.855 175.781 174.900 0.043 0.000 0.996 607 G CA 0.465 45.573 45.100 0.014 0.000 0.645 607 G HN 1.048 nan 8.290 nan 0.000 0.498 608 L N -1.211 120.044 121.223 0.054 0.000 2.189 608 L HA 0.259 4.599 4.340 0.000 0.000 0.214 608 L C 2.222 179.137 176.870 0.075 0.000 1.097 608 L CA 2.492 57.354 54.840 0.037 0.000 0.764 608 L CB -0.746 41.328 42.059 0.025 0.000 0.900 608 L HN 0.182 nan 8.230 nan 0.000 0.436 609 F N 1.520 121.451 119.950 -0.031 0.000 2.075 609 F HA -0.196 4.331 4.527 0.000 0.000 0.297 609 F C 2.259 178.042 175.800 -0.028 0.000 1.113 609 F CA 1.664 59.655 58.000 -0.015 0.000 1.218 609 F CB -0.715 38.309 39.000 0.039 0.000 0.984 609 F HN 0.264 nan 8.300 nan 0.000 0.472 610 D N -0.122 120.250 120.400 -0.048 0.000 2.412 610 D HA -0.342 4.298 4.640 0.000 0.000 0.191 610 D C 2.019 178.208 176.300 -0.185 0.000 1.019 610 D CA 2.472 56.395 54.000 -0.129 0.000 0.866 610 D CB -0.528 40.239 40.800 -0.056 0.000 0.966 610 D HN 0.373 nan 8.370 nan 0.000 0.459 611 Q N -0.094 119.622 119.800 -0.140 0.000 2.364 611 Q HA -0.057 4.283 4.340 0.000 0.000 0.207 611 Q C 2.173 178.060 176.000 -0.188 0.000 0.970 611 Q CA 0.212 55.931 55.803 -0.139 0.000 0.888 611 Q CB 0.212 28.886 28.738 -0.106 0.000 0.951 611 Q HN 0.190 nan 8.270 nan 0.000 0.469 612 V N 0.077 119.836 119.914 -0.258 0.000 2.231 612 V HA -0.266 3.854 4.120 0.000 0.000 0.240 612 V C 2.028 177.963 176.094 -0.266 0.000 1.039 612 V CA 1.781 63.936 62.300 -0.241 0.000 0.998 612 V CB -0.528 31.166 31.823 -0.216 0.000 0.639 612 V HN 0.318 nan 8.190 nan 0.000 0.451 613 R N 0.329 120.488 120.500 -0.568 0.000 2.189 613 R HA -0.339 4.001 4.340 0.000 0.000 0.252 613 R C 2.421 178.646 176.300 -0.125 0.000 1.134 613 R CA 2.494 58.357 56.100 -0.395 0.000 0.954 613 R CB -0.632 29.429 30.300 -0.399 0.000 0.890 613 R HN 0.484 nan 8.270 nan 0.000 0.443 614 K N 0.594 120.927 120.400 -0.111 0.000 2.152 614 K HA -0.188 4.132 4.320 0.000 0.000 0.206 614 K C 2.060 178.632 176.600 -0.047 0.000 1.048 614 K CA 1.175 57.436 56.287 -0.043 0.000 0.933 614 K CB -0.079 32.389 32.500 -0.054 0.000 0.721 614 K HN 0.011 nan 8.250 nan 0.000 0.447 615 L N 0.292 121.452 121.223 -0.106 0.000 2.005 615 L HA -0.082 4.258 4.340 0.000 0.000 0.207 615 L C 1.897 178.649 176.870 -0.197 0.000 1.072 615 L CA 1.681 56.398 54.840 -0.204 0.000 0.744 615 L CB -0.503 41.313 42.059 -0.406 0.000 0.895 615 L HN 0.162 nan 8.230 nan 0.000 0.433 616 F N -0.867 118.839 119.950 -0.408 0.000 2.373 616 F HA -0.210 4.317 4.527 0.000 0.000 0.300 616 F C 2.276 177.930 175.800 -0.242 0.000 1.080 616 F CA 0.712 58.392 58.000 -0.533 0.000 1.417 616 F CB -0.505 37.690 39.000 -1.342 0.000 1.070 616 F HN 0.144 nan 8.300 nan 0.000 0.546 617 A N -0.451 122.433 122.820 0.107 0.000 2.167 617 A HA 0.308 4.629 4.320 0.000 0.000 0.214 617 A C 1.892 179.570 177.584 0.156 0.000 1.151 617 A CA 1.030 53.223 52.037 0.260 0.000 0.735 617 A CB -0.582 18.548 19.000 0.216 0.000 0.802 617 A HN 0.211 nan 8.150 nan 0.000 0.467 618 A N -0.036 122.830 122.820 0.077 0.000 2.535 618 A HA 0.434 4.754 4.320 0.000 0.000 0.273 618 A C 1.067 178.677 177.584 0.043 0.000 1.267 618 A CA 0.518 52.587 52.037 0.054 0.000 0.940 618 A CB -0.762 18.256 19.000 0.030 0.000 1.101 618 A HN 0.462 nan 8.150 nan 0.000 0.521 619 T N -2.851 111.733 114.554 0.049 0.000 2.732 619 T HA 0.321 4.671 4.350 0.000 0.000 0.287 619 T C -1.163 173.550 174.700 0.022 0.000 0.993 619 T CA -0.946 61.169 62.100 0.025 0.000 0.966 619 T CB 0.519 69.392 68.868 0.009 0.000 1.047 619 T HN 0.038 nan 8.240 nan 0.000 0.527 620 P HA -0.097 nan 4.420 nan 0.000 0.215 620 P C 1.795 179.085 177.300 -0.017 0.000 1.153 620 P CA 0.733 63.828 63.100 -0.009 0.000 0.853 620 P CB -0.088 31.601 31.700 -0.020 0.000 0.788 621 L N 0.015 121.227 121.223 -0.020 0.000 1.994 621 L HA -0.094 4.246 4.340 0.000 0.000 0.208 621 L C 2.758 179.556 176.870 -0.120 0.000 1.071 621 L CA 2.231 57.020 54.840 -0.085 0.000 0.745 621 L CB -2.192 39.826 42.059 -0.069 0.000 0.892 621 L HN -0.027 nan 8.230 nan 0.000 0.431 622 A N -0.700 122.144 122.820 0.039 0.000 2.024 622 A HA -0.236 4.084 4.320 0.000 0.000 0.220 622 A C 2.294 179.951 177.584 0.121 0.000 1.164 622 A CA 1.699 53.842 52.037 0.177 0.000 0.643 622 A CB -0.320 18.897 19.000 0.362 0.000 0.806 622 A HN 0.284 nan 8.150 nan 0.000 0.451 623 K N -0.075 120.361 120.400 0.060 0.000 2.007 623 K HA -0.030 4.290 4.320 0.000 0.000 0.206 623 K C 2.060 178.670 176.600 0.018 0.000 1.047 623 K CA 1.679 57.992 56.287 0.045 0.000 0.937 623 K CB -0.223 32.295 32.500 0.029 0.000 0.718 623 K HN 0.507 nan 8.250 nan 0.000 0.438 624 K N 0.483 120.868 120.400 -0.024 0.000 2.026 624 K HA -0.073 4.247 4.320 0.000 0.000 0.208 624 K C -0.127 176.450 176.600 -0.039 0.000 1.048 624 K CA 1.165 57.430 56.287 -0.036 0.000 0.929 624 K CB 0.151 32.620 32.500 -0.051 0.000 0.713 624 K HN -0.090 nan 8.250 nan 0.000 0.439 625 R N -0.474 119.960 120.500 -0.109 0.000 2.540 625 R HA 0.352 4.692 4.340 0.000 0.000 0.287 625 R C -0.064 176.338 176.300 0.171 0.000 0.980 625 R CA -0.156 55.935 56.100 -0.014 0.000 0.966 625 R CB 1.378 31.639 30.300 -0.065 0.000 1.106 625 R HN 0.218 nan 8.270 nan 0.000 0.480 626 G N 2.169 111.117 108.800 0.246 0.000 2.726 626 G HA2 0.033 3.993 3.960 0.000 0.000 0.283 626 G HA3 0.033 3.993 3.960 0.000 0.000 0.283 626 G C -0.916 174.170 174.900 0.310 0.000 0.689 626 G CA 0.224 45.453 45.100 0.215 0.000 2.087 626 G HN 0.326 nan 8.290 nan 0.000 0.546 627 Y N 1.795 122.110 120.300 0.025 0.000 2.328 627 Y HA 0.333 4.883 4.550 0.000 0.000 0.337 627 Y C 0.439 176.380 175.900 0.068 0.000 0.966 627 Y CA -1.982 56.119 58.100 0.002 0.000 1.136 627 Y CB 1.392 39.866 38.460 0.024 0.000 1.170 627 Y HN 0.571 nan 8.280 nan 0.000 0.470 628 N N 1.108 119.867 118.700 0.098 0.000 2.457 628 N HA 0.600 5.340 4.740 0.000 0.000 0.290 628 N C -0.938 174.666 175.510 0.155 0.000 1.232 628 N CA -0.897 52.232 53.050 0.132 0.000 0.852 628 N CB 1.541 40.066 38.487 0.064 0.000 1.313 628 N HN 0.537 nan 8.380 nan 0.000 0.522 629 A N -0.690 122.253 122.820 0.205 0.000 2.513 629 A HA 0.481 4.801 4.320 0.000 0.000 0.274 629 A C 1.222 178.849 177.584 0.071 0.000 1.115 629 A CA 0.748 52.901 52.037 0.194 0.000 0.792 629 A CB -1.655 17.392 19.000 0.079 0.000 1.053 629 A HN 1.333 nan 8.150 nan 0.000 0.515 630 G N 2.047 110.878 108.800 0.051 0.000 3.382 630 G HA2 -0.122 3.838 3.960 0.000 0.000 0.214 630 G HA3 -0.122 3.838 3.960 0.000 0.000 0.214 630 G C 1.028 175.872 174.900 -0.093 0.000 1.025 630 G CA 0.001 45.091 45.100 -0.016 0.000 0.869 630 G HN 0.555 nan 8.290 nan 0.000 0.458 631 R N -0.359 119.977 120.500 -0.273 0.000 2.310 631 R HA 0.329 4.669 4.340 0.000 0.000 0.202 631 R C 0.872 176.861 176.300 -0.517 0.000 0.933 631 R CA 0.453 56.252 56.100 -0.502 0.000 1.054 631 R CB -0.144 29.583 30.300 -0.954 0.000 0.985 631 R HN 0.415 nan 8.270 nan 0.000 0.489 632 F N -1.375 118.602 119.950 0.044 0.000 2.728 632 F HA 0.209 4.736 4.527 0.000 0.000 0.314 632 F C 1.065 177.026 175.800 0.270 0.000 1.094 632 F CA -0.370 57.668 58.000 0.063 0.000 1.217 632 F CB 0.255 39.185 39.000 -0.115 0.000 1.056 632 F HN -0.245 nan 8.300 nan 0.000 0.577 633 S N 0.762 116.649 115.700 0.312 0.000 2.592 633 S HA 0.193 4.663 4.470 0.000 0.000 0.271 633 S C 0.420 175.195 174.600 0.292 0.000 1.326 633 S CA -0.446 57.903 58.200 0.250 0.000 1.024 633 S CB 0.379 63.603 63.200 0.041 0.000 0.921 633 S HN 0.275 nan 8.310 nan 0.000 0.527 634 F N 1.976 122.061 119.950 0.224 0.000 2.647 634 F HA 0.520 5.047 4.527 0.000 0.000 0.300 634 F C 0.498 176.285 175.800 -0.022 0.000 1.106 634 F CA -0.681 57.295 58.000 -0.041 0.000 1.313 634 F CB -0.751 38.100 39.000 -0.249 0.000 1.007 634 F HN 0.536 nan 8.300 nan 0.000 0.536 635 N N 0.399 118.986 118.700 -0.188 0.000 2.200 635 N HA 0.270 5.010 4.740 0.000 0.000 0.224 635 N C -1.080 174.400 175.510 -0.050 0.000 1.179 635 N CA -0.074 52.908 53.050 -0.113 0.000 0.877 635 N CB 1.573 39.937 38.487 -0.205 0.000 1.072 635 N HN 0.144 nan 8.380 nan 0.000 0.519 636 V N -1.590 118.308 119.914 -0.028 0.000 3.087 636 V HA 0.372 4.492 4.120 0.000 0.000 0.306 636 V C -0.352 175.738 176.094 -0.007 0.000 1.187 636 V CA -1.378 60.913 62.300 -0.016 0.000 0.999 636 V CB 2.019 33.828 31.823 -0.024 0.000 1.049 636 V HN -0.064 nan 8.190 nan 0.000 0.431 637 K N 0.947 121.340 120.400 -0.011 0.000 2.440 637 K HA 0.508 4.828 4.320 0.000 0.000 0.270 637 K C 1.017 177.598 176.600 -0.032 0.000 0.980 637 K CA 1.211 57.490 56.287 -0.014 0.000 0.953 637 K CB 0.490 32.981 32.500 -0.015 0.000 0.925 637 K HN 1.290 nan 8.250 nan 0.000 0.497 638 G N 0.868 109.646 108.800 -0.037 0.000 1.828 638 G HA2 -0.193 3.767 3.960 0.000 0.000 0.128 638 G HA3 -0.193 3.767 3.960 0.000 0.000 0.128 638 G C 0.866 175.713 174.900 -0.088 0.000 2.299 638 G CA -0.091 44.957 45.100 -0.087 0.000 1.389 638 G HN 0.654 nan 8.290 nan 0.000 0.437 639 G N 1.311 110.056 108.800 -0.092 0.000 2.551 639 G HA2 0.323 4.283 3.960 0.000 0.000 0.216 639 G HA3 0.323 4.283 3.960 0.000 0.000 0.216 639 G C 0.963 176.014 174.900 0.250 0.000 1.137 639 G CA 1.195 46.291 45.100 -0.006 0.000 0.798 639 G HN 0.879 nan 8.290 nan 0.000 0.536 640 R N -0.530 120.074 120.500 0.174 0.000 2.694 640 R HA 0.314 4.654 4.340 0.000 0.000 0.268 640 R C 0.139 176.451 176.300 0.021 0.000 1.061 640 R CA -0.492 55.626 56.100 0.030 0.000 1.133 640 R CB 0.132 30.415 30.300 -0.029 0.000 1.020 640 R HN 0.064 nan 8.270 nan 0.000 0.475 641 C N 2.273 121.550 119.300 -0.039 0.000 2.604 641 C HA 0.227 4.687 4.460 0.000 0.000 0.396 641 C C 0.900 175.892 174.990 0.003 0.000 1.282 641 C CA -0.385 58.632 59.018 -0.001 0.000 2.292 641 C CB 0.311 28.041 27.740 -0.017 0.000 2.633 641 C HN 0.978 nan 8.230 nan 0.000 0.620 642 E N 0.856 121.073 120.200 0.029 0.000 2.490 642 E HA -0.005 4.345 4.350 0.000 0.000 0.209 642 E C 1.298 177.921 176.600 0.038 0.000 0.971 642 E CA 0.433 56.847 56.400 0.023 0.000 0.988 642 E CB -0.335 29.371 29.700 0.010 0.000 1.029 642 E HN 0.988 nan 8.360 nan 0.000 0.496 643 H N 0.419 119.467 119.070 -0.036 0.000 2.423 643 H HA -0.107 4.449 4.556 0.000 0.000 0.297 643 H C 2.097 177.406 175.328 -0.032 0.000 1.075 643 H CA 2.367 58.391 56.048 -0.040 0.000 1.342 643 H CB 0.349 30.074 29.762 -0.061 0.000 1.395 643 H HN 0.287 nan 8.280 nan 0.000 0.530 644 C N -2.256 117.128 119.300 0.140 0.000 2.689 644 C HA 0.354 4.814 4.460 0.000 0.000 0.336 644 C C 0.998 176.027 174.990 0.065 0.000 1.304 644 C CA 0.155 59.236 59.018 0.106 0.000 1.860 644 C CB 0.438 28.226 27.740 0.081 0.000 2.405 644 C HN 0.701 nan 8.230 nan 0.000 0.557 645 Q N 0.190 120.016 119.800 0.042 0.000 2.433 645 Q HA -0.036 4.304 4.340 0.000 0.000 0.266 645 Q C 0.994 177.020 176.000 0.044 0.000 0.798 645 Q CA 0.657 56.480 55.803 0.034 0.000 1.169 645 Q CB -1.838 26.921 28.738 0.035 0.000 1.166 645 Q HN 1.426 nan 8.270 nan 0.000 0.727 646 G N -0.112 108.695 108.800 0.012 0.000 2.241 646 G HA2 -0.328 3.632 3.960 0.000 0.000 0.244 646 G HA3 -0.328 3.632 3.960 0.000 0.000 0.244 646 G C 0.491 175.391 174.900 0.000 0.000 0.998 646 G CA 0.458 45.555 45.100 -0.004 0.000 0.621 646 G HN 0.393 nan 8.290 nan 0.000 0.519 647 E N 0.346 120.585 120.200 0.066 0.000 2.265 647 E HA 0.210 4.560 4.350 0.000 0.000 0.196 647 E C 2.185 178.888 176.600 0.173 0.000 0.996 647 E CA 0.852 57.312 56.400 0.099 0.000 0.832 647 E CB -0.392 29.400 29.700 0.152 0.000 0.756 647 E HN 1.483 nan 8.360 nan 0.000 0.491 648 G N 0.329 109.176 108.800 0.079 0.000 2.196 648 G HA2 -0.262 3.698 3.960 0.000 0.000 0.268 648 G HA3 -0.262 3.698 3.960 0.000 0.000 0.268 648 G C -0.450 174.339 174.900 -0.186 0.000 0.975 648 G CA 0.861 45.959 45.100 -0.004 0.000 0.648 648 G HN 0.194 nan 8.290 nan 0.000 0.538 649 W N -1.620 119.690 121.300 0.016 0.000 3.217 649 W HA 0.658 5.318 4.660 0.000 0.000 0.323 649 W C -0.394 176.219 176.519 0.157 0.000 1.216 649 W CA -0.931 56.471 57.345 0.095 0.000 1.194 649 W CB 1.610 31.136 29.460 0.111 0.000 1.397 649 W HN 0.252 nan 8.180 nan 0.000 0.537 650 V N 2.779 122.897 119.914 0.340 0.000 2.914 650 V HA 0.508 4.628 4.120 0.000 0.000 0.314 650 V C -0.122 176.039 176.094 0.112 0.000 1.084 650 V CA -1.213 61.205 62.300 0.197 0.000 0.963 650 V CB 1.822 33.723 31.823 0.130 0.000 1.025 650 V HN 0.707 nan 8.190 nan 0.000 0.432 651 M N 2.352 121.920 119.600 -0.055 0.000 2.336 651 M HA 0.592 5.072 4.480 0.000 0.000 0.256 651 M C -0.088 176.159 176.300 -0.088 0.000 1.176 651 M CA -0.287 54.868 55.300 -0.241 0.000 0.948 651 M CB 1.754 34.121 32.600 -0.389 0.000 1.393 651 M HN 0.618 nan 8.290 nan 0.000 0.528 652 V N -0.842 119.002 119.914 -0.116 0.000 2.719 652 V HA 0.354 4.474 4.120 0.000 0.000 0.330 652 V C 0.205 176.214 176.094 -0.141 0.000 1.224 652 V CA -0.630 61.638 62.300 -0.052 0.000 1.314 652 V CB 0.229 32.062 31.823 0.016 0.000 1.416 652 V HN 0.848 nan 8.190 nan 0.000 0.651 653 E N 1.050 121.176 120.200 -0.125 0.000 2.492 653 E HA -0.080 4.270 4.350 0.000 0.000 0.204 653 E C 1.527 178.039 176.600 -0.146 0.000 1.073 653 E CA 0.759 57.084 56.400 -0.126 0.000 0.887 653 E CB 0.142 29.791 29.700 -0.085 0.000 0.813 653 E HN 0.630 nan 8.360 nan 0.000 0.562 654 L N -0.512 120.575 121.223 -0.226 0.000 2.168 654 L HA 0.070 4.410 4.340 0.000 0.000 0.203 654 L C 1.550 177.914 176.870 -0.843 0.000 1.078 654 L CA 0.359 54.957 54.840 -0.404 0.000 0.780 654 L CB -1.312 40.651 42.059 -0.159 0.000 0.939 654 L HN 0.159 nan 8.230 nan 0.000 0.451 655 L N 1.863 122.510 121.223 -0.961 0.000 2.745 655 L HA -0.189 4.151 4.340 0.000 0.000 0.273 655 L C 1.640 178.348 176.870 -0.270 0.000 1.156 655 L CA 0.054 54.538 54.840 -0.593 0.000 0.982 655 L CB 0.186 42.053 42.059 -0.319 0.000 1.295 655 L HN 0.158 nan 8.230 nan 0.000 0.483 656 F N 6.736 126.531 119.950 -0.258 0.000 2.095 656 F HA -0.152 4.375 4.527 0.000 0.000 0.298 656 F C 0.808 176.557 175.800 -0.086 0.000 1.104 656 F CA 0.753 58.669 58.000 -0.140 0.000 1.232 656 F CB 0.018 38.966 39.000 -0.086 0.000 0.987 656 F HN 0.389 nan 8.300 nan 0.000 0.475 657 L N -0.341 120.434 121.223 -0.747 0.000 2.439 657 L HA 0.401 4.741 4.340 0.000 0.000 0.261 657 L C -2.220 174.448 176.870 -0.336 0.000 1.153 657 L CA -2.319 52.105 54.840 -0.693 0.000 0.808 657 L CB -1.155 40.660 42.059 -0.407 0.000 1.126 657 L HN -0.182 nan 8.230 nan 0.000 0.460 658 P HA -0.170 nan 4.420 nan 0.000 0.240 658 P C 0.108 177.336 177.300 -0.120 0.000 1.079 658 P CA 0.565 63.572 63.100 -0.155 0.000 0.839 658 P CB -0.144 31.498 31.700 -0.096 0.000 0.750 659 S N 2.676 118.293 115.700 -0.138 0.000 2.626 659 S HA 0.163 4.633 4.470 0.000 0.000 0.303 659 S C 0.557 175.093 174.600 -0.106 0.000 1.256 659 S CA -0.429 57.690 58.200 -0.136 0.000 1.069 659 S CB -0.178 62.927 63.200 -0.158 0.000 0.807 659 S HN 0.245 nan 8.310 nan 0.000 0.500 660 V N 4.035 123.904 119.914 -0.074 0.000 3.229 660 V HA 0.684 4.804 4.120 0.000 0.000 0.310 660 V C -1.106 174.968 176.094 -0.034 0.000 1.206 660 V CA -1.137 61.168 62.300 0.008 0.000 1.051 660 V CB 0.575 32.456 31.823 0.097 0.000 1.183 660 V HN 0.754 nan 8.190 nan 0.000 0.466 661 Y N 0.158 120.518 120.300 0.100 0.000 2.352 661 Y HA 0.801 5.351 4.550 0.000 0.000 0.339 661 Y C 0.377 176.473 175.900 0.328 0.000 0.992 661 Y CA 0.055 58.264 58.100 0.182 0.000 1.100 661 Y CB 1.809 40.335 38.460 0.110 0.000 1.192 661 Y HN 1.024 nan 8.280 nan 0.000 0.458 662 A N 5.228 128.327 122.820 0.465 0.000 2.374 662 A HA 0.783 5.103 4.320 0.000 0.000 0.317 662 A C -2.938 174.742 177.584 0.160 0.000 1.094 662 A CA -2.286 49.955 52.037 0.339 0.000 0.765 662 A CB 1.042 20.146 19.000 0.174 0.000 1.268 662 A HN 0.455 nan 8.150 nan 0.000 0.438 663 P HA 0.086 nan 4.420 nan 0.000 0.265 663 P C 0.066 177.115 177.300 -0.418 0.000 1.193 663 P CA -0.144 62.459 63.100 -0.828 0.000 0.765 663 P CB 0.190 31.500 31.700 -0.649 0.000 0.823 664 C N 7.429 126.449 119.300 -0.467 0.000 2.523 664 C HA 0.038 4.498 4.460 0.000 0.000 0.406 664 C C -0.504 174.247 174.990 -0.397 0.000 1.449 664 C CA -1.024 57.815 59.018 -0.298 0.000 1.588 664 C CB -0.797 26.786 27.740 -0.262 0.000 2.514 664 C HN 0.547 nan 8.230 nan 0.000 0.606 665 P HA -0.084 nan 4.420 nan 0.000 0.219 665 P C 1.576 178.411 177.300 -0.776 0.000 1.150 665 P CA 1.397 64.218 63.100 -0.464 0.000 0.814 665 P CB 0.068 31.572 31.700 -0.327 0.000 0.787 666 V N 1.099 120.567 119.914 -0.743 0.000 2.256 666 V HA -0.175 3.945 4.120 0.000 0.000 0.240 666 V C 3.026 178.796 176.094 -0.540 0.000 1.036 666 V CA 2.346 64.301 62.300 -0.575 0.000 1.008 666 V CB -1.238 30.326 31.823 -0.432 0.000 0.648 666 V HN 0.267 nan 8.190 nan 0.000 0.453 667 C N -2.233 116.825 119.300 -0.403 0.000 2.533 667 C HA 0.231 4.691 4.460 0.000 0.000 0.272 667 C C 1.018 175.930 174.990 -0.130 0.000 1.371 667 C CA -0.065 58.839 59.018 -0.191 0.000 1.758 667 C CB -0.903 26.784 27.740 -0.088 0.000 1.972 667 C HN 0.751 nan 8.230 nan 0.000 0.522 668 H N 0.469 119.437 119.070 -0.170 0.000 3.099 668 H HA -0.064 4.492 4.556 0.000 0.000 0.322 668 H C 1.398 176.565 175.328 -0.268 0.000 1.339 668 H CA 0.927 56.851 56.048 -0.206 0.000 1.225 668 H CB -1.746 27.937 29.762 -0.132 0.000 1.417 668 H HN 1.173 nan 8.280 nan 0.000 0.444 669 G N -0.937 107.651 108.800 -0.353 0.000 2.162 669 G HA2 -0.390 3.570 3.960 0.000 0.000 0.260 669 G HA3 -0.390 3.570 3.960 0.000 0.000 0.260 669 G C 1.075 175.894 174.900 -0.135 0.000 0.976 669 G CA 1.441 46.252 45.100 -0.482 0.000 0.655 669 G HN 0.594 nan 8.290 nan 0.000 0.533 670 T N -0.779 113.735 114.554 -0.067 0.000 2.983 670 T HA 0.255 4.605 4.350 0.000 0.000 0.250 670 T C 1.616 176.351 174.700 0.057 0.000 1.037 670 T CA 1.749 63.878 62.100 0.049 0.000 1.142 670 T CB -0.091 68.838 68.868 0.102 0.000 0.876 670 T HN 0.774 nan 8.240 nan 0.000 0.455 671 R N -2.013 118.448 120.500 -0.065 0.000 2.977 671 R HA -0.099 4.241 4.340 0.000 0.000 0.492 671 R C -1.310 174.720 176.300 -0.449 0.000 0.642 671 R CA 0.311 56.235 56.100 -0.293 0.000 1.341 671 R CB -1.736 28.261 30.300 -0.506 0.000 2.048 671 R HN 0.368 nan 8.270 nan 0.000 0.403 672 Y N 1.255 121.582 120.300 0.045 0.000 2.433 672 Y HA 0.276 4.826 4.550 0.000 0.000 0.337 672 Y C 0.009 175.944 175.900 0.059 0.000 1.026 672 Y CA -1.718 56.426 58.100 0.073 0.000 1.037 672 Y CB 1.240 39.763 38.460 0.106 0.000 1.245 672 Y HN 0.071 nan 8.280 nan 0.000 0.443 673 N N 1.360 120.194 118.700 0.225 0.000 2.492 673 N HA 0.174 4.915 4.740 0.000 0.000 0.262 673 N C 0.863 176.470 175.510 0.162 0.000 1.202 673 N CA 0.481 53.620 53.050 0.147 0.000 0.926 673 N CB 1.329 39.875 38.487 0.099 0.000 1.078 673 N HN 0.793 nan 8.380 nan 0.000 0.454 674 A N 3.072 125.968 122.820 0.126 0.000 1.881 674 A HA -0.298 4.022 4.320 0.000 0.000 0.219 674 A C 1.774 179.438 177.584 0.134 0.000 1.215 674 A CA 1.914 54.023 52.037 0.121 0.000 0.648 674 A CB -1.010 18.046 19.000 0.092 0.000 0.832 674 A HN 0.870 nan 8.150 nan 0.000 0.455 675 E N -1.177 119.100 120.200 0.128 0.000 2.271 675 E HA -0.265 4.085 4.350 0.000 0.000 0.209 675 E C 1.970 178.701 176.600 0.219 0.000 1.046 675 E CA 2.097 58.590 56.400 0.154 0.000 0.840 675 E CB -0.554 29.236 29.700 0.150 0.000 0.738 675 E HN 0.775 nan 8.360 nan 0.000 0.470 676 T N 0.680 115.365 114.554 0.219 0.000 3.010 676 T HA 0.068 4.418 4.350 0.000 0.000 0.252 676 T C 2.000 176.853 174.700 0.254 0.000 1.047 676 T CA 0.116 62.378 62.100 0.270 0.000 1.140 676 T CB -0.068 68.900 68.868 0.166 0.000 0.885 676 T HN 0.071 nan 8.240 nan 0.000 0.464 677 L N 1.167 122.499 121.223 0.182 0.000 2.549 677 L HA -0.017 4.323 4.340 0.000 0.000 0.230 677 L C 2.276 179.242 176.870 0.159 0.000 1.162 677 L CA 1.003 55.934 54.840 0.153 0.000 0.834 677 L CB -0.637 41.504 42.059 0.137 0.000 0.947 677 L HN 0.345 nan 8.230 nan 0.000 0.452 678 E N -0.680 119.620 120.200 0.167 0.000 2.230 678 E HA -0.009 4.341 4.350 0.000 0.000 0.192 678 E C 0.489 177.181 176.600 0.153 0.000 0.987 678 E CA 0.050 56.530 56.400 0.133 0.000 0.841 678 E CB 0.303 30.066 29.700 0.104 0.000 0.783 678 E HN 0.205 nan 8.360 nan 0.000 0.481 679 V N 3.096 123.153 119.914 0.238 0.000 2.521 679 V HA 0.021 4.141 4.120 0.000 0.000 0.286 679 V C 0.247 176.522 176.094 0.302 0.000 1.034 679 V CA 0.351 62.823 62.300 0.287 0.000 1.045 679 V CB 0.515 32.651 31.823 0.522 0.000 0.974 679 V HN 0.084 nan 8.190 nan 0.000 0.480 680 E N 3.451 123.750 120.200 0.166 0.000 2.227 680 E HA 0.431 4.781 4.350 0.000 0.000 0.268 680 E C -1.493 175.047 176.600 -0.100 0.000 0.907 680 E CA -0.771 55.695 56.400 0.110 0.000 0.786 680 E CB 2.932 32.666 29.700 0.057 0.000 1.191 680 E HN 0.672 nan 8.360 nan 0.000 0.411 681 Y N 1.651 121.713 120.300 -0.397 0.000 2.341 681 Y HA 0.236 4.786 4.550 0.000 0.000 0.338 681 Y C 0.151 175.971 175.900 -0.134 0.000 0.965 681 Y CA -0.729 57.061 58.100 -0.516 0.000 1.108 681 Y CB 0.921 38.697 38.460 -1.139 0.000 1.180 681 Y HN 0.562 nan 8.280 nan 0.000 0.458 682 R N 4.848 124.862 120.500 -0.809 0.000 3.109 682 R HA -0.245 4.095 4.340 0.000 0.000 0.241 682 R C 0.932 177.156 176.300 -0.127 0.000 0.882 682 R CA 1.239 56.977 56.100 -0.604 0.000 0.604 682 R CB -1.681 27.996 30.300 -1.038 0.000 1.040 682 R HN 1.393 nan 8.270 nan 0.000 0.480 683 G N -0.717 108.037 108.800 -0.078 0.000 2.176 683 G HA2 -0.322 3.638 3.960 0.000 0.000 0.253 683 G HA3 -0.322 3.638 3.960 0.000 0.000 0.253 683 G C -0.029 174.894 174.900 0.038 0.000 0.979 683 G CA 0.638 45.739 45.100 0.001 0.000 0.641 683 G HN 0.383 nan 8.290 nan 0.000 0.530 684 K N 0.330 120.780 120.400 0.083 0.000 2.397 684 K HA 0.363 4.683 4.320 0.000 0.000 0.253 684 K C 0.268 177.001 176.600 0.223 0.000 0.932 684 K CA -0.768 55.579 56.287 0.100 0.000 0.795 684 K CB 1.722 34.212 32.500 -0.017 0.000 1.159 684 K HN 0.232 nan 8.250 nan 0.000 0.424 685 N N 0.835 119.652 118.700 0.195 0.000 2.178 685 N HA -0.126 4.614 4.740 0.000 0.000 0.222 685 N C 0.910 176.651 175.510 0.385 0.000 1.350 685 N CA 0.200 53.402 53.050 0.253 0.000 0.874 685 N CB 0.291 38.862 38.487 0.141 0.000 1.086 685 N HN 0.505 nan 8.380 nan 0.000 0.452 686 I N 0.029 120.690 120.570 0.152 0.000 3.265 686 I HA 0.235 4.405 4.170 0.000 0.000 0.282 686 I C 1.635 177.696 176.117 -0.093 0.000 1.207 686 I CA 0.746 61.894 61.300 -0.254 0.000 1.449 686 I CB -0.273 37.342 38.000 -0.641 0.000 1.121 686 I HN 0.604 nan 8.210 nan 0.000 0.442 687 A N -0.215 122.610 122.820 0.008 0.000 1.970 687 A HA -0.087 4.233 4.320 0.000 0.000 0.216 687 A C 1.839 179.480 177.584 0.094 0.000 1.170 687 A CA 1.585 53.685 52.037 0.106 0.000 0.645 687 A CB -0.604 18.479 19.000 0.140 0.000 0.816 687 A HN 0.397 nan 8.150 nan 0.000 0.447 688 D N -0.674 119.779 120.400 0.088 0.000 2.144 688 D HA -0.094 4.546 4.640 0.000 0.000 0.200 688 D C 1.952 178.278 176.300 0.044 0.000 0.978 688 D CA 1.272 55.305 54.000 0.054 0.000 0.833 688 D CB -0.373 40.447 40.800 0.033 0.000 0.961 688 D HN 0.186 nan 8.370 nan 0.000 0.470 689 V N 0.419 120.401 119.914 0.113 0.000 2.358 689 V HA -0.142 3.978 4.120 0.000 0.000 0.246 689 V C 2.158 178.362 176.094 0.184 0.000 1.047 689 V CA 1.162 63.571 62.300 0.183 0.000 1.035 689 V CB -0.350 31.726 31.823 0.421 0.000 0.658 689 V HN 0.187 nan 8.190 nan 0.000 0.452 690 L N 0.177 121.493 121.223 0.156 0.000 2.261 690 L HA -0.125 4.215 4.340 0.000 0.000 0.216 690 L C 2.480 179.384 176.870 0.056 0.000 1.114 690 L CA 1.416 56.309 54.840 0.088 0.000 0.777 690 L CB -0.562 41.525 42.059 0.046 0.000 0.910 690 L HN 0.495 nan 8.230 nan 0.000 0.440 691 A N -0.985 121.874 122.820 0.065 0.000 2.132 691 A HA 0.102 4.422 4.320 0.000 0.000 0.213 691 A C 0.894 178.506 177.584 0.046 0.000 1.154 691 A CA -0.154 51.912 52.037 0.049 0.000 0.753 691 A CB -0.059 18.970 19.000 0.047 0.000 0.826 691 A HN 0.155 nan 8.150 nan 0.000 0.469 692 L N 1.851 123.108 121.223 0.057 0.000 2.514 692 L HA 0.122 4.462 4.340 0.000 0.000 0.280 692 L C 1.373 178.290 176.870 0.078 0.000 1.223 692 L CA 0.792 55.669 54.840 0.063 0.000 0.864 692 L CB 0.467 42.584 42.059 0.096 0.000 1.118 692 L HN 0.481 nan 8.230 nan 0.000 0.494 693 T N -0.006 114.594 114.554 0.077 0.000 2.754 693 T HA 0.190 4.540 4.350 0.000 0.000 0.286 693 T C 1.255 176.013 174.700 0.096 0.000 0.997 693 T CA -0.619 61.526 62.100 0.075 0.000 0.982 693 T CB 0.650 69.566 68.868 0.079 0.000 1.027 693 T HN 0.277 nan 8.240 nan 0.000 0.529 694 V N 0.860 120.808 119.914 0.057 0.000 2.427 694 V HA -0.102 4.018 4.120 0.000 0.000 0.248 694 V C 2.163 178.325 176.094 0.113 0.000 1.051 694 V CA 1.960 64.299 62.300 0.065 0.000 1.048 694 V CB -0.722 31.086 31.823 -0.025 0.000 0.666 694 V HN 0.835 nan 8.190 nan 0.000 0.456 695 D N -0.672 119.781 120.400 0.089 0.000 2.194 695 D HA -0.116 4.524 4.640 0.000 0.000 0.204 695 D C 2.143 178.556 176.300 0.188 0.000 0.964 695 D CA 0.867 54.928 54.000 0.103 0.000 0.846 695 D CB -0.016 40.822 40.800 0.063 0.000 0.962 695 D HN 0.514 nan 8.370 nan 0.000 0.490 696 E N 0.536 120.837 120.200 0.169 0.000 2.072 696 E HA -0.057 4.293 4.350 0.000 0.000 0.191 696 E C 2.079 178.843 176.600 0.273 0.000 0.985 696 E CA 0.834 57.343 56.400 0.180 0.000 0.801 696 E CB 0.048 29.814 29.700 0.110 0.000 0.750 696 E HN 0.163 nan 8.360 nan 0.000 0.452 697 A N 0.970 123.978 122.820 0.314 0.000 1.933 697 A HA -0.235 4.085 4.320 0.000 0.000 0.218 697 A C 2.001 179.944 177.584 0.599 0.000 1.175 697 A CA 1.487 53.817 52.037 0.488 0.000 0.628 697 A CB -0.772 18.493 19.000 0.442 0.000 0.814 697 A HN 0.373 nan 8.150 nan 0.000 0.444 698 H N -0.046 119.251 119.070 0.379 0.000 2.265 698 H HA -0.192 4.364 4.556 0.000 0.000 0.295 698 H C 1.649 177.277 175.328 0.500 0.000 1.084 698 H CA 2.226 58.539 56.048 0.442 0.000 1.261 698 H CB -0.158 29.747 29.762 0.238 0.000 1.360 698 H HN 0.401 nan 8.280 nan 0.000 0.487 699 D N -0.027 120.636 120.400 0.438 0.000 2.106 699 D HA -0.188 4.452 4.640 0.000 0.000 0.191 699 D C 2.188 178.597 176.300 0.182 0.000 0.997 699 D CA 1.149 55.313 54.000 0.274 0.000 0.834 699 D CB -0.825 40.120 40.800 0.242 0.000 0.956 699 D HN 0.345 nan 8.370 nan 0.000 0.448 700 F N -0.682 119.287 119.950 0.032 0.000 2.216 700 F HA -0.115 4.412 4.527 0.000 0.000 0.300 700 F C 1.236 176.831 175.800 -0.342 0.000 1.085 700 F CA 0.986 58.870 58.000 -0.193 0.000 1.326 700 F CB 0.100 38.919 39.000 -0.301 0.000 1.027 700 F HN -0.138 nan 8.300 nan 0.000 0.497 701 F N -0.728 119.290 119.950 0.113 0.000 2.772 701 F HA 0.377 4.904 4.527 0.000 0.000 0.302 701 F C 1.549 177.212 175.800 -0.229 0.000 1.136 701 F CA 0.067 58.058 58.000 -0.015 0.000 1.322 701 F CB -0.492 38.596 39.000 0.145 0.000 0.967 701 F HN -0.025 nan 8.300 nan 0.000 0.513 702 A N 0.863 123.492 122.820 -0.318 0.000 1.884 702 A HA -0.317 4.003 4.320 0.000 0.000 0.219 702 A C 2.177 179.200 177.584 -0.936 0.000 1.197 702 A CA 2.652 54.079 52.037 -1.016 0.000 0.637 702 A CB -0.709 17.929 19.000 -0.603 0.000 0.827 702 A HN 0.484 nan 8.150 nan 0.000 0.450 703 D N 0.719 120.861 120.400 -0.431 0.000 2.084 703 D HA -0.117 4.523 4.640 0.000 0.000 0.194 703 D C 0.201 176.411 176.300 -0.149 0.000 0.990 703 D CA 0.910 54.756 54.000 -0.257 0.000 0.826 703 D CB -1.091 39.611 40.800 -0.163 0.000 0.971 703 D HN 0.397 nan 8.370 nan 0.000 0.453 704 E N 0.951 121.126 120.200 -0.040 0.000 2.311 704 E HA -0.008 4.342 4.350 0.000 0.000 0.247 704 E C 0.739 177.369 176.600 0.051 0.000 1.215 704 E CA 0.049 56.482 56.400 0.055 0.000 0.957 704 E CB 0.813 30.644 29.700 0.218 0.000 1.020 704 E HN 0.186 nan 8.360 nan 0.000 0.461 705 S N 2.809 118.527 115.700 0.030 0.000 2.387 705 S HA -0.111 4.359 4.470 0.000 0.000 0.226 705 S C 1.767 176.419 174.600 0.088 0.000 1.026 705 S CA 0.996 59.239 58.200 0.071 0.000 0.972 705 S CB 0.185 63.411 63.200 0.043 0.000 0.814 705 S HN 0.585 nan 8.310 nan 0.000 0.477 706 A N 0.027 122.867 122.820 0.034 0.000 2.121 706 A HA 0.115 4.435 4.320 0.000 0.000 0.218 706 A C 1.749 179.336 177.584 0.005 0.000 1.154 706 A CA 1.001 53.045 52.037 0.012 0.000 0.679 706 A CB -0.360 18.629 19.000 -0.019 0.000 0.795 706 A HN 0.570 nan 8.150 nan 0.000 0.458 707 I N -3.383 117.192 120.570 0.007 0.000 2.962 707 I HA 0.129 4.299 4.170 0.000 0.000 0.246 707 I C 1.860 178.042 176.117 0.109 0.000 1.091 707 I CA 0.283 61.560 61.300 -0.037 0.000 1.469 707 I CB -0.500 37.318 38.000 -0.305 0.000 1.324 707 I HN 0.249 nan 8.210 nan 0.000 0.461 708 F N 1.965 121.920 119.950 0.009 0.000 2.127 708 F HA -0.361 4.166 4.527 0.000 0.000 0.299 708 F C 2.639 178.476 175.800 0.062 0.000 1.068 708 F CA 2.006 60.033 58.000 0.045 0.000 1.263 708 F CB -0.295 38.706 39.000 0.001 0.000 1.016 708 F HN -0.070 nan 8.300 nan 0.000 0.491 709 R N -0.218 120.365 120.500 0.138 0.000 2.055 709 R HA 0.002 4.342 4.340 0.000 0.000 0.228 709 R C 2.442 178.743 176.300 0.002 0.000 1.143 709 R CA 1.429 57.557 56.100 0.047 0.000 0.945 709 R CB -0.841 29.500 30.300 0.068 0.000 0.841 709 R HN 0.234 nan 8.270 nan 0.000 0.429 710 A N 0.487 123.319 122.820 0.020 0.000 1.972 710 A HA -0.101 4.219 4.320 0.000 0.000 0.219 710 A C 2.168 179.757 177.584 0.008 0.000 1.169 710 A CA 1.171 53.216 52.037 0.012 0.000 0.635 710 A CB -0.587 18.424 19.000 0.018 0.000 0.810 710 A HN 0.345 nan 8.150 nan 0.000 0.446 711 L N -0.708 120.528 121.223 0.022 0.000 2.046 711 L HA -0.196 4.145 4.340 0.000 0.000 0.208 711 L C 2.196 179.056 176.870 -0.018 0.000 1.077 711 L CA 1.407 56.269 54.840 0.037 0.000 0.747 711 L CB -0.584 41.552 42.059 0.128 0.000 0.896 711 L HN 0.289 nan 8.230 nan 0.000 0.432 712 D N -0.330 120.021 120.400 -0.083 0.000 2.092 712 D HA -0.199 4.442 4.640 0.000 0.000 0.193 712 D C 2.257 178.502 176.300 -0.091 0.000 0.994 712 D CA 2.160 56.082 54.000 -0.130 0.000 0.828 712 D CB -0.272 40.421 40.800 -0.179 0.000 0.963 712 D HN 0.377 nan 8.370 nan 0.000 0.450 713 T N -1.160 113.358 114.554 -0.061 0.000 2.833 713 T HA -0.116 4.234 4.350 0.000 0.000 0.269 713 T C 2.331 176.999 174.700 -0.052 0.000 1.054 713 T CA 0.757 62.828 62.100 -0.049 0.000 1.135 713 T CB -0.573 68.278 68.868 -0.030 0.000 0.869 713 T HN 0.121 nan 8.240 nan 0.000 0.466 714 L N 0.466 121.660 121.223 -0.049 0.000 2.027 714 L HA -0.021 4.319 4.340 0.000 0.000 0.206 714 L C 3.258 180.078 176.870 -0.083 0.000 1.074 714 L CA 1.552 56.356 54.840 -0.061 0.000 0.745 714 L CB -0.383 41.647 42.059 -0.049 0.000 0.898 714 L HN 0.252 nan 8.230 nan 0.000 0.433 715 R N 0.455 120.899 120.500 -0.094 0.000 2.062 715 R HA -0.186 4.154 4.340 0.000 0.000 0.231 715 R C 2.099 178.343 176.300 -0.095 0.000 1.136 715 R CA 1.688 57.719 56.100 -0.115 0.000 0.948 715 R CB -0.611 29.577 30.300 -0.187 0.000 0.845 715 R HN 0.534 nan 8.270 nan 0.000 0.430 716 E N 1.017 121.163 120.200 -0.090 0.000 2.265 716 E HA -0.108 4.242 4.350 0.000 0.000 0.196 716 E C 1.668 178.234 176.600 -0.057 0.000 0.996 716 E CA 0.911 57.270 56.400 -0.068 0.000 0.832 716 E CB -0.141 29.521 29.700 -0.063 0.000 0.756 716 E HN 0.115 nan 8.360 nan 0.000 0.491 717 V N 0.257 120.134 119.914 -0.062 0.000 3.573 717 V HA 0.137 4.258 4.120 0.000 0.000 0.270 717 V C 1.292 177.354 176.094 -0.053 0.000 1.221 717 V CA 1.298 63.563 62.300 -0.059 0.000 1.163 717 V CB -0.184 31.601 31.823 -0.062 0.000 0.847 717 V HN 0.657 nan 8.190 nan 0.000 0.468 718 G N 0.097 108.868 108.800 -0.048 0.000 2.313 718 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 718 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 718 G C 0.437 175.317 174.900 -0.033 0.000 1.023 718 G CA 0.055 45.145 45.100 -0.016 0.000 0.626 718 G HN 0.420 nan 8.290 nan 0.000 0.503 719 L N 2.987 124.124 121.223 -0.143 0.000 2.858 719 L HA 0.369 4.709 4.340 0.000 0.000 0.243 719 L C 2.214 178.874 176.870 -0.349 0.000 1.416 719 L CA 0.317 54.936 54.840 -0.368 0.000 1.182 719 L CB -0.592 41.276 42.059 -0.319 0.000 1.564 719 L HN 0.310 nan 8.230 nan 0.000 0.436 720 G N 0.181 108.875 108.800 -0.176 0.000 2.443 720 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 720 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 720 G C 1.211 176.089 174.900 -0.037 0.000 1.131 720 G CA 0.684 45.748 45.100 -0.059 0.000 0.775 720 G HN 0.701 nan 8.290 nan 0.000 0.547 721 Y N -0.739 119.559 120.300 -0.003 0.000 2.481 721 Y HA 0.532 5.082 4.550 0.000 0.000 0.258 721 Y C 0.989 176.890 175.900 0.000 0.000 1.103 721 Y CA -1.211 56.892 58.100 0.005 0.000 1.287 721 Y CB -0.238 38.225 38.460 0.005 0.000 1.108 721 Y HN -0.121 nan 8.280 nan 0.000 0.529 722 L N 2.736 123.691 121.223 -0.446 0.000 2.467 722 L HA 0.218 4.558 4.340 0.000 0.000 0.270 722 L C 0.354 177.168 176.870 -0.092 0.000 1.205 722 L CA 0.045 54.750 54.840 -0.226 0.000 0.828 722 L CB 0.461 42.331 42.059 -0.315 0.000 1.101 722 L HN 0.195 nan 8.230 nan 0.000 0.479 723 R N 1.411 121.880 120.500 -0.052 0.000 2.428 723 R HA 0.207 4.547 4.340 0.000 0.000 0.294 723 R C 0.657 176.939 176.300 -0.030 0.000 1.000 723 R CA -0.947 55.142 56.100 -0.018 0.000 0.960 723 R CB 1.162 31.459 30.300 -0.005 0.000 1.076 723 R HN 0.403 nan 8.270 nan 0.000 0.475 724 L N 1.661 122.887 121.223 0.006 0.000 2.129 724 L HA -0.119 4.221 4.340 0.000 0.000 0.212 724 L C 1.900 178.739 176.870 -0.051 0.000 1.087 724 L CA 1.931 56.775 54.840 0.006 0.000 0.757 724 L CB -0.459 41.642 42.059 0.071 0.000 0.896 724 L HN 0.935 nan 8.230 nan 0.000 0.434 725 G N -2.182 106.576 108.800 -0.070 0.000 3.393 725 G HA2 0.031 3.991 3.960 0.000 0.000 0.255 725 G HA3 0.031 3.991 3.960 0.000 0.000 0.255 725 G C 0.546 175.363 174.900 -0.139 0.000 1.097 725 G CA -0.346 44.670 45.100 -0.140 0.000 0.780 725 G HN 0.287 nan 8.290 nan 0.000 0.540 726 Q N 1.632 121.361 119.800 -0.118 0.000 2.263 726 Q HA 0.162 4.502 4.340 0.000 0.000 0.270 726 Q C -2.208 173.656 176.000 -0.226 0.000 1.104 726 Q CA -1.701 54.010 55.803 -0.153 0.000 0.909 726 Q CB 0.700 29.363 28.738 -0.125 0.000 1.214 726 Q HN 0.026 nan 8.270 nan 0.000 0.400 727 P HA -0.136 nan 4.420 nan 0.000 0.260 727 P C -0.056 177.040 177.300 -0.340 0.000 1.172 727 P CA 0.441 63.288 63.100 -0.422 0.000 0.760 727 P CB 0.689 31.942 31.700 -0.745 0.000 0.773 728 A N 4.252 126.913 122.820 -0.267 0.000 2.001 728 A HA -0.297 4.023 4.320 0.000 0.000 0.224 728 A C 1.922 179.358 177.584 -0.245 0.000 1.203 728 A CA 2.858 54.762 52.037 -0.222 0.000 0.667 728 A CB -1.925 16.968 19.000 -0.177 0.000 0.823 728 A HN 0.612 nan 8.150 nan 0.000 0.473 729 T N -2.317 112.038 114.554 -0.332 0.000 3.118 729 T HA 0.055 4.405 4.350 0.000 0.000 0.260 729 T C 1.082 175.620 174.700 -0.271 0.000 1.139 729 T CA 1.096 63.003 62.100 -0.321 0.000 1.085 729 T CB -0.220 68.356 68.868 -0.487 0.000 0.934 729 T HN 0.723 nan 8.240 nan 0.000 0.518 730 E N 0.757 120.790 120.200 -0.280 0.000 2.474 730 E HA 0.260 4.610 4.350 0.000 0.000 0.195 730 E C 0.138 176.655 176.600 -0.139 0.000 1.039 730 E CA -0.139 56.135 56.400 -0.211 0.000 0.881 730 E CB 0.239 29.785 29.700 -0.258 0.000 0.970 730 E HN 0.514 nan 8.360 nan 0.000 0.486 731 L N 1.908 123.042 121.223 -0.148 0.000 2.312 731 L HA 0.138 4.478 4.340 0.000 0.000 0.281 731 L C 1.563 178.377 176.870 -0.094 0.000 1.070 731 L CA -0.345 54.427 54.840 -0.113 0.000 0.805 731 L CB 1.468 43.443 42.059 -0.140 0.000 1.174 731 L HN 0.063 nan 8.230 nan 0.000 0.434 732 S N 0.777 116.441 115.700 -0.060 0.000 2.461 732 S HA 0.040 4.510 4.470 0.000 0.000 0.228 732 S C 1.361 175.927 174.600 -0.057 0.000 1.005 732 S CA 0.502 58.674 58.200 -0.048 0.000 0.942 732 S CB 0.229 63.425 63.200 -0.006 0.000 0.776 732 S HN 1.102 nan 8.310 nan 0.000 0.514 733 G N 0.975 109.734 108.800 -0.068 0.000 2.659 733 G HA2 -0.236 3.724 3.960 0.000 0.000 0.212 733 G HA3 -0.236 3.724 3.960 0.000 0.000 0.212 733 G C 1.143 176.010 174.900 -0.054 0.000 1.226 733 G CA 0.021 45.081 45.100 -0.067 0.000 0.739 733 G HN 1.122 nan 8.290 nan 0.000 0.528 734 G N 0.342 109.121 108.800 -0.034 0.000 2.535 734 G HA2 0.209 4.169 3.960 0.000 0.000 0.218 734 G HA3 0.209 4.169 3.960 0.000 0.000 0.218 734 G C 1.285 176.165 174.900 -0.032 0.000 1.122 734 G CA 1.713 46.798 45.100 -0.025 0.000 0.769 734 G HN 0.605 nan 8.290 nan 0.000 0.549 735 E N -0.530 119.643 120.200 -0.045 0.000 2.372 735 E HA 0.303 4.653 4.350 0.000 0.000 0.201 735 E C 2.701 179.234 176.600 -0.112 0.000 0.938 735 E CA 0.339 56.701 56.400 -0.064 0.000 0.944 735 E CB 0.234 29.906 29.700 -0.048 0.000 0.937 735 E HN 0.309 nan 8.360 nan 0.000 0.495 736 A N 1.318 124.065 122.820 -0.122 0.000 1.873 736 A HA -0.217 4.103 4.320 0.000 0.000 0.215 736 A C 2.127 179.616 177.584 -0.159 0.000 1.186 736 A CA 1.230 53.160 52.037 -0.178 0.000 0.616 736 A CB -0.407 18.491 19.000 -0.171 0.000 0.823 736 A HN 0.132 nan 8.150 nan 0.000 0.442 737 Q N -0.427 119.312 119.800 -0.102 0.000 2.077 737 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 737 Q C 2.367 178.326 176.000 -0.068 0.000 0.989 737 Q CA 1.876 57.636 55.803 -0.071 0.000 0.853 737 Q CB -0.139 28.572 28.738 -0.046 0.000 0.907 737 Q HN 0.661 nan 8.270 nan 0.000 0.418 738 R N -0.166 120.290 120.500 -0.073 0.000 2.081 738 R HA -0.104 4.236 4.340 0.000 0.000 0.235 738 R C 2.403 178.659 176.300 -0.074 0.000 1.131 738 R CA 1.255 57.313 56.100 -0.070 0.000 0.960 738 R CB -0.320 29.940 30.300 -0.067 0.000 0.856 738 R HN 0.329 nan 8.270 nan 0.000 0.436 739 I N 1.074 121.581 120.570 -0.104 0.000 2.091 739 I HA -0.358 3.812 4.170 0.000 0.000 0.239 739 I C 2.159 178.265 176.117 -0.018 0.000 1.061 739 I CA 1.490 62.734 61.300 -0.094 0.000 1.317 739 I CB -0.312 37.572 38.000 -0.193 0.000 1.031 739 I HN 0.032 nan 8.210 nan 0.000 0.401 740 K N 0.493 120.869 120.400 -0.040 0.000 2.030 740 K HA -0.277 4.044 4.320 0.000 0.000 0.222 740 K C 1.926 178.573 176.600 0.078 0.000 1.056 740 K CA 1.851 58.193 56.287 0.093 0.000 0.957 740 K CB -0.889 31.637 32.500 0.043 0.000 0.727 740 K HN 0.112 nan 8.250 nan 0.000 0.452 741 L N 0.390 121.621 121.223 0.013 0.000 2.081 741 L HA -0.211 4.129 4.340 0.000 0.000 0.212 741 L C 2.026 178.884 176.870 -0.019 0.000 1.080 741 L CA 2.224 57.050 54.840 -0.022 0.000 0.754 741 L CB -0.920 41.104 42.059 -0.058 0.000 0.893 741 L HN 0.284 nan 8.230 nan 0.000 0.433 742 A N -1.680 121.135 122.820 -0.008 0.000 1.933 742 A HA -0.206 4.114 4.320 0.000 0.000 0.218 742 A C 2.166 179.759 177.584 0.014 0.000 1.175 742 A CA 1.926 53.958 52.037 -0.008 0.000 0.628 742 A CB -1.165 17.828 19.000 -0.012 0.000 0.814 742 A HN 0.584 nan 8.150 nan 0.000 0.444 743 T N -3.160 111.425 114.554 0.051 0.000 3.324 743 T HA 0.201 4.551 4.350 0.000 0.000 0.250 743 T C 0.872 175.599 174.700 0.045 0.000 1.059 743 T CA 0.663 62.794 62.100 0.051 0.000 0.951 743 T CB 0.021 68.935 68.868 0.076 0.000 1.030 743 T HN 0.392 nan 8.240 nan 0.000 0.576 744 E N 0.222 120.447 120.200 0.041 0.000 2.378 744 E HA 0.233 4.583 4.350 0.000 0.000 0.200 744 E C 1.903 178.525 176.600 0.036 0.000 0.882 744 E CA 0.146 56.586 56.400 0.067 0.000 1.061 744 E CB -0.490 29.274 29.700 0.107 0.000 1.049 744 E HN 0.313 nan 8.360 nan 0.000 0.494 745 L N 1.902 123.115 121.223 -0.017 0.000 2.054 745 L HA -0.255 4.085 4.340 0.000 0.000 0.220 745 L C 2.541 179.410 176.870 -0.002 0.000 1.081 745 L CA 1.782 56.607 54.840 -0.025 0.000 0.780 745 L CB -0.575 41.459 42.059 -0.041 0.000 0.893 745 L HN 0.066 nan 8.230 nan 0.000 0.438 746 R N -0.605 119.896 120.500 0.002 0.000 2.073 746 R HA -0.053 4.287 4.340 0.000 0.000 0.234 746 R C 0.775 177.081 176.300 0.010 0.000 1.134 746 R CA 0.988 57.090 56.100 0.004 0.000 0.952 746 R CB -0.058 30.245 30.300 0.005 0.000 0.850 746 R HN 0.103 nan 8.270 nan 0.000 0.433 747 R N 0.647 121.156 120.500 0.015 0.000 4.017 747 R HA 0.215 4.555 4.340 0.000 0.000 0.272 747 R C -0.989 175.328 176.300 0.028 0.000 1.516 747 R CA -0.118 55.990 56.100 0.014 0.000 1.519 747 R CB -0.021 30.281 30.300 0.003 0.000 1.422 747 R HN -0.052 nan 8.270 nan 0.000 0.719 748 S N -1.020 114.697 115.700 0.029 0.000 2.423 748 S HA 0.385 4.855 4.470 0.000 0.000 0.213 748 S C 0.307 174.922 174.600 0.024 0.000 1.131 748 S CA -0.434 57.789 58.200 0.039 0.000 1.155 748 S CB 1.046 64.289 63.200 0.072 0.000 1.202 748 S HN 0.503 nan 8.310 nan 0.000 0.441 749 G N 2.868 111.678 108.800 0.017 0.000 3.651 749 G HA2 0.175 4.135 3.960 0.000 0.000 0.279 749 G HA3 0.175 4.135 3.960 0.000 0.000 0.279 749 G C 0.748 175.654 174.900 0.012 0.000 1.024 749 G CA -0.461 44.647 45.100 0.013 0.000 0.813 749 G HN 0.502 nan 8.290 nan 0.000 0.518 750 R N -0.042 120.467 120.500 0.014 0.000 2.138 750 R HA 0.808 5.148 4.340 0.000 0.000 0.129 750 R C 0.437 176.744 176.300 0.013 0.000 1.410 750 R CA 0.100 56.205 56.100 0.008 0.000 1.523 750 R CB -0.378 29.922 30.300 0.000 0.000 1.468 750 R HN 0.108 nan 8.270 nan 0.000 0.550 751 G N -3.000 105.805 108.800 0.009 0.000 2.606 751 G HA2 0.370 4.330 3.960 0.000 0.000 0.300 751 G HA3 0.370 4.330 3.960 0.000 0.000 0.300 751 G C -0.372 174.529 174.900 0.002 0.000 1.360 751 G CA -0.245 44.862 45.100 0.012 0.000 0.783 751 G HN 0.789 nan 8.290 nan 0.000 0.484 752 G N -0.629 108.172 108.800 0.003 0.000 2.412 752 G HA2 0.180 4.140 3.960 0.000 0.000 0.297 752 G HA3 0.180 4.140 3.960 0.000 0.000 0.297 752 G C 0.500 175.375 174.900 -0.043 0.000 0.965 752 G CA 1.735 46.828 45.100 -0.011 0.000 1.134 752 G HN 1.798 nan 8.290 nan 0.000 0.511 753 T N -2.534 111.966 114.554 -0.090 0.000 2.952 753 T HA 0.668 5.018 4.350 0.000 0.000 0.286 753 T C -0.041 174.500 174.700 -0.266 0.000 1.024 753 T CA -0.199 61.764 62.100 -0.227 0.000 1.029 753 T CB 2.274 70.908 68.868 -0.389 0.000 1.094 753 T HN 1.197 nan 8.240 nan 0.000 0.515 754 V N 4.555 124.289 119.914 -0.299 0.000 2.326 754 V HA 0.500 4.620 4.120 0.000 0.000 0.281 754 V C -1.622 174.314 176.094 -0.263 0.000 1.015 754 V CA -0.837 61.346 62.300 -0.194 0.000 0.823 754 V CB 0.134 31.908 31.823 -0.082 0.000 1.009 754 V HN 0.926 nan 8.190 nan 0.000 0.436 755 Y N 5.401 125.686 120.300 -0.026 0.000 2.365 755 Y HA 0.504 5.054 4.550 0.000 0.000 0.340 755 Y C 0.513 176.387 175.900 -0.042 0.000 1.016 755 Y CA -0.535 57.549 58.100 -0.026 0.000 1.196 755 Y CB 1.498 39.946 38.460 -0.021 0.000 1.167 755 Y HN 0.540 nan 8.280 nan 0.000 0.509 756 V N 3.644 123.608 119.914 0.084 0.000 2.394 756 V HA 0.456 4.576 4.120 0.000 0.000 0.282 756 V C -0.649 175.474 176.094 0.050 0.000 1.031 756 V CA -0.953 61.364 62.300 0.028 0.000 0.881 756 V CB 1.193 33.001 31.823 -0.026 0.000 0.982 756 V HN 0.460 nan 8.190 nan 0.000 0.451 757 L N 3.803 125.047 121.223 0.035 0.000 2.316 757 L HA 0.556 4.896 4.340 0.000 0.000 0.280 757 L C -0.257 176.626 176.870 0.023 0.000 1.006 757 L CA 0.100 54.958 54.840 0.030 0.000 0.836 757 L CB 1.285 43.357 42.059 0.020 0.000 1.221 757 L HN 0.721 nan 8.230 nan 0.000 0.418 758 D N 3.320 123.737 120.400 0.028 0.000 2.277 758 D HA 0.053 4.693 4.640 0.000 0.000 0.249 758 D C 0.134 176.464 176.300 0.049 0.000 1.134 758 D CA -0.206 53.818 54.000 0.040 0.000 0.863 758 D CB 0.925 41.751 40.800 0.043 0.000 1.143 758 D HN 0.292 nan 8.370 nan 0.000 0.458 759 E N 4.043 124.288 120.200 0.075 0.000 1.171 759 E HA -0.176 4.174 4.350 0.000 0.000 0.344 759 E C -1.749 174.885 176.600 0.056 0.000 0.544 759 E CA -0.037 56.423 56.400 0.100 0.000 1.283 759 E CB 0.334 30.160 29.700 0.209 0.000 0.485 759 E HN 0.414 nan 8.360 nan 0.000 0.366 760 P HA -0.037 nan 4.420 nan 0.000 0.235 760 P C 0.721 178.019 177.300 -0.004 0.000 1.177 760 P CA 0.667 63.770 63.100 0.005 0.000 0.785 760 P CB 0.104 31.799 31.700 -0.008 0.000 0.885 761 T N -2.284 112.276 114.554 0.009 0.000 3.332 761 T HA 0.128 4.478 4.350 0.000 0.000 0.246 761 T C 0.142 174.842 174.700 -0.000 0.000 0.943 761 T CA -0.367 61.728 62.100 -0.010 0.000 0.922 761 T CB -1.741 67.121 68.868 -0.011 0.000 1.086 761 T HN -0.056 nan 8.240 nan 0.000 0.590 762 T N 1.200 115.757 114.554 0.005 0.000 2.769 762 T HA 0.457 4.807 4.350 0.000 0.000 0.293 762 T C 1.388 176.091 174.700 0.004 0.000 0.931 762 T CA -0.017 62.090 62.100 0.011 0.000 1.139 762 T CB 0.293 69.164 68.868 0.005 0.000 0.881 762 T HN 0.867 nan 8.240 nan 0.000 0.532 763 G N 2.314 111.140 108.800 0.043 0.000 2.323 763 G HA2 -0.169 3.791 3.960 0.000 0.000 0.292 763 G HA3 -0.169 3.791 3.960 0.000 0.000 0.292 763 G C -0.302 174.521 174.900 -0.128 0.000 1.040 763 G CA -0.472 44.683 45.100 0.091 0.000 0.942 763 G HN 0.633 nan 8.290 nan 0.000 0.506 764 L N 0.866 121.944 121.223 -0.241 0.000 2.319 764 L HA 0.449 4.789 4.340 0.000 0.000 0.281 764 L C 0.620 177.189 176.870 -0.501 0.000 1.005 764 L CA -1.584 53.053 54.840 -0.339 0.000 0.828 764 L CB 1.349 43.316 42.059 -0.153 0.000 1.227 764 L HN 0.410 nan 8.230 nan 0.000 0.415 765 H N 5.650 124.261 119.070 -0.765 0.000 2.871 765 H HA 0.062 4.619 4.556 0.000 0.000 0.355 765 H C -1.695 173.430 175.328 -0.338 0.000 1.092 765 H CA -1.079 54.706 56.048 -0.440 0.000 1.420 765 H CB 1.360 30.973 29.762 -0.249 0.000 1.400 765 H HN 0.397 nan 8.280 nan 0.000 0.604 766 P HA -0.176 nan 4.420 nan 0.000 0.219 766 P C 0.718 177.671 177.300 -0.578 0.000 1.145 766 P CA 2.138 64.942 63.100 -0.493 0.000 0.813 766 P CB 0.130 31.299 31.700 -0.885 0.000 0.771 767 A N -0.700 121.962 122.820 -0.263 0.000 1.943 767 A HA -0.099 4.221 4.320 0.000 0.000 0.213 767 A C 1.903 179.449 177.584 -0.064 0.000 1.181 767 A CA 1.173 53.136 52.037 -0.124 0.000 0.653 767 A CB -0.815 18.183 19.000 -0.004 0.000 0.833 767 A HN 0.075 nan 8.150 nan 0.000 0.451 768 D N 0.491 120.843 120.400 -0.081 0.000 2.117 768 D HA -0.162 4.478 4.640 0.000 0.000 0.197 768 D C 2.212 178.475 176.300 -0.062 0.000 0.987 768 D CA 1.901 55.864 54.000 -0.062 0.000 0.829 768 D CB -0.879 39.878 40.800 -0.071 0.000 0.961 768 D HN 0.442 nan 8.370 nan 0.000 0.460 769 V N 0.484 120.346 119.914 -0.087 0.000 2.332 769 V HA -0.196 3.924 4.120 0.000 0.000 0.248 769 V C 2.161 178.227 176.094 -0.047 0.000 1.055 769 V CA 2.033 64.289 62.300 -0.073 0.000 1.038 769 V CB -0.407 31.364 31.823 -0.086 0.000 0.651 769 V HN 0.004 nan 8.190 nan 0.000 0.450 770 E N 1.512 121.689 120.200 -0.039 0.000 2.153 770 E HA -0.268 4.082 4.350 0.000 0.000 0.194 770 E C 2.459 179.063 176.600 0.007 0.000 0.988 770 E CA 1.948 58.353 56.400 0.008 0.000 0.811 770 E CB -0.200 29.542 29.700 0.070 0.000 0.746 770 E HN 0.878 nan 8.360 nan 0.000 0.466 771 R N 0.327 120.824 120.500 -0.005 0.000 2.210 771 R HA 0.022 4.362 4.340 0.000 0.000 0.203 771 R C 2.419 178.705 176.300 -0.023 0.000 1.010 771 R CA 0.177 56.271 56.100 -0.010 0.000 1.008 771 R CB -0.436 29.858 30.300 -0.010 0.000 0.923 771 R HN 0.154 nan 8.270 nan 0.000 0.469 772 L N 1.500 122.704 121.223 -0.031 0.000 2.027 772 L HA -0.132 4.208 4.340 0.000 0.000 0.206 772 L C 2.042 178.888 176.870 -0.039 0.000 1.074 772 L CA 1.817 56.633 54.840 -0.040 0.000 0.745 772 L CB -0.745 41.286 42.059 -0.045 0.000 0.898 772 L HN 0.368 nan 8.230 nan 0.000 0.433 773 Q N -0.305 119.477 119.800 -0.030 0.000 1.956 773 Q HA -0.310 4.030 4.340 0.000 0.000 0.208 773 Q C 2.134 178.125 176.000 -0.015 0.000 0.998 773 Q CA 1.938 57.727 55.803 -0.023 0.000 0.855 773 Q CB -0.499 28.233 28.738 -0.011 0.000 0.928 773 Q HN 0.451 nan 8.270 nan 0.000 0.418 774 R N 0.085 120.583 120.500 -0.003 0.000 2.265 774 R HA -0.287 4.053 4.340 0.000 0.000 0.256 774 R C 2.230 178.518 176.300 -0.019 0.000 1.120 774 R CA 2.248 58.346 56.100 -0.003 0.000 0.956 774 R CB -0.107 30.191 30.300 -0.004 0.000 0.925 774 R HN 0.343 nan 8.270 nan 0.000 0.448 775 Q N -0.103 119.677 119.800 -0.034 0.000 2.083 775 Q HA -0.065 4.275 4.340 0.000 0.000 0.198 775 Q C 2.280 178.235 176.000 -0.075 0.000 0.969 775 Q CA 1.208 56.979 55.803 -0.052 0.000 0.838 775 Q CB -0.179 28.523 28.738 -0.059 0.000 0.900 775 Q HN 0.469 nan 8.270 nan 0.000 0.436 776 L N -0.467 120.709 121.223 -0.078 0.000 2.056 776 L HA -0.109 4.231 4.340 0.000 0.000 0.207 776 L C 2.381 179.212 176.870 -0.066 0.000 1.078 776 L CA 0.639 55.418 54.840 -0.102 0.000 0.749 776 L CB -0.735 41.272 42.059 -0.086 0.000 0.901 776 L HN -0.009 nan 8.230 nan 0.000 0.433 777 V N 0.293 120.190 119.914 -0.029 0.000 2.546 777 V HA -0.310 3.810 4.120 0.000 0.000 0.254 777 V C 2.612 178.703 176.094 -0.004 0.000 1.076 777 V CA 1.646 63.948 62.300 0.002 0.000 1.087 777 V CB -0.579 31.262 31.823 0.029 0.000 0.674 777 V HN 0.416 nan 8.190 nan 0.000 0.470 778 K N -0.106 120.281 120.400 -0.022 0.000 2.147 778 K HA -0.113 4.207 4.320 0.000 0.000 0.205 778 K C 1.816 178.403 176.600 -0.022 0.000 1.049 778 K CA 1.464 57.737 56.287 -0.022 0.000 0.936 778 K CB -0.163 32.318 32.500 -0.032 0.000 0.722 778 K HN 0.583 nan 8.250 nan 0.000 0.446 779 L N -2.025 119.172 121.223 -0.043 0.000 2.513 779 L HA 0.081 4.421 4.340 0.000 0.000 0.222 779 L C 1.870 178.759 176.870 0.032 0.000 1.096 779 L CA -0.007 54.822 54.840 -0.019 0.000 0.857 779 L CB -0.301 41.693 42.059 -0.108 0.000 1.026 779 L HN -0.251 nan 8.230 nan 0.000 0.469 780 V N -0.315 119.608 119.914 0.015 0.000 2.488 780 V HA -0.104 4.016 4.120 0.000 0.000 0.246 780 V C 1.817 177.924 176.094 0.022 0.000 1.046 780 V CA 1.443 63.760 62.300 0.029 0.000 1.053 780 V CB -0.536 31.303 31.823 0.026 0.000 0.679 780 V HN 0.293 nan 8.190 nan 0.000 0.458 781 D N 1.094 121.504 120.400 0.017 0.000 2.264 781 D HA -0.006 4.634 4.640 0.000 0.000 0.208 781 D C 1.997 178.305 176.300 0.013 0.000 0.966 781 D CA 1.345 55.353 54.000 0.013 0.000 0.864 781 D CB -0.100 40.706 40.800 0.011 0.000 0.933 781 D HN 0.473 nan 8.370 nan 0.000 0.499 782 A N -0.677 122.155 122.820 0.020 0.000 2.238 782 A HA 0.434 4.754 4.320 0.000 0.000 0.208 782 A C 1.882 179.482 177.584 0.027 0.000 1.177 782 A CA 1.196 53.248 52.037 0.025 0.000 0.804 782 A CB -0.071 18.951 19.000 0.037 0.000 0.823 782 A HN 0.257 nan 8.150 nan 0.000 0.482 783 G N -0.610 108.203 108.800 0.022 0.000 2.308 783 G HA2 -0.253 3.707 3.960 0.000 0.000 0.221 783 G HA3 -0.253 3.707 3.960 0.000 0.000 0.221 783 G C 0.284 175.198 174.900 0.024 0.000 1.032 783 G CA 0.005 45.114 45.100 0.014 0.000 0.623 783 G HN 0.524 nan 8.290 nan 0.000 0.506 784 N N 1.199 119.938 118.700 0.065 0.000 2.297 784 N HA 0.348 5.088 4.740 0.000 0.000 0.232 784 N C -0.161 175.408 175.510 0.099 0.000 1.311 784 N CA 1.150 54.264 53.050 0.106 0.000 0.897 784 N CB 0.302 38.959 38.487 0.283 0.000 1.137 784 N HN 0.314 nan 8.380 nan 0.000 0.449 785 T N 0.052 114.665 114.554 0.098 0.000 2.855 785 T HA 0.430 4.780 4.350 0.000 0.000 0.281 785 T C -0.121 174.673 174.700 0.157 0.000 1.007 785 T CA -0.766 61.377 62.100 0.071 0.000 1.009 785 T CB 1.506 70.376 68.868 0.004 0.000 0.983 785 T HN 0.381 nan 8.240 nan 0.000 0.455 786 V N 1.882 121.864 119.914 0.113 0.000 2.531 786 V HA 0.817 4.937 4.120 0.000 0.000 0.301 786 V C -1.097 175.039 176.094 0.070 0.000 1.034 786 V CA -0.838 61.533 62.300 0.119 0.000 0.865 786 V CB 0.924 32.794 31.823 0.077 0.000 0.995 786 V HN 0.813 nan 8.190 nan 0.000 0.424 787 I N 5.019 125.616 120.570 0.044 0.000 2.530 787 I HA 0.964 5.134 4.170 0.000 0.000 0.297 787 I C 0.231 176.364 176.117 0.026 0.000 1.011 787 I CA -0.379 60.938 61.300 0.029 0.000 1.107 787 I CB 2.120 40.054 38.000 -0.109 0.000 1.285 787 I HN 1.091 nan 8.210 nan 0.000 0.436 788 A N 4.356 127.202 122.820 0.043 0.000 2.540 788 A HA 0.612 4.932 4.320 0.000 0.000 0.297 788 A C -1.250 176.338 177.584 0.007 0.000 1.056 788 A CA -0.567 51.482 52.037 0.019 0.000 0.700 788 A CB 1.505 20.511 19.000 0.009 0.000 1.280 788 A HN 0.568 nan 8.150 nan 0.000 0.398 789 V N 0.934 120.837 119.914 -0.018 0.000 2.649 789 V HA 0.792 4.912 4.120 0.000 0.000 0.292 789 V C -0.219 175.761 176.094 -0.191 0.000 1.055 789 V CA 0.287 62.535 62.300 -0.088 0.000 1.023 789 V CB 1.348 33.129 31.823 -0.070 0.000 0.992 789 V HN 1.057 nan 8.190 nan 0.000 0.480 790 E N 2.969 122.966 120.200 -0.338 0.000 2.335 790 E HA 0.488 4.838 4.350 0.000 0.000 0.280 790 E C -0.430 175.903 176.600 -0.445 0.000 0.918 790 E CA -0.447 55.764 56.400 -0.315 0.000 0.765 790 E CB 1.508 31.126 29.700 -0.137 0.000 1.218 790 E HN 0.828 nan 8.360 nan 0.000 0.425 791 H N 2.327 121.358 119.070 -0.065 0.000 3.046 791 H HA 0.293 4.849 4.556 0.000 0.000 0.262 791 H C -0.264 174.983 175.328 -0.136 0.000 1.044 791 H CA -0.025 55.962 56.048 -0.102 0.000 1.209 791 H CB 0.965 30.696 29.762 -0.052 0.000 1.507 791 H HN 0.099 nan 8.280 nan 0.000 0.507 792 K N 1.577 121.972 120.400 -0.009 0.000 2.354 792 K HA 0.147 4.467 4.320 0.000 0.000 0.257 792 K C 0.442 177.013 176.600 -0.049 0.000 1.062 792 K CA -0.458 55.812 56.287 -0.028 0.000 0.971 792 K CB 1.293 33.787 32.500 -0.010 0.000 1.305 792 K HN -0.129 nan 8.250 nan 0.000 0.449 793 M N 1.641 121.206 119.600 -0.058 0.000 2.143 793 M HA -0.269 4.211 4.480 0.000 0.000 0.258 793 M C 2.096 178.392 176.300 -0.007 0.000 1.071 793 M CA 1.681 56.960 55.300 -0.034 0.000 1.088 793 M CB -0.570 32.029 32.600 -0.001 0.000 1.360 793 M HN 0.652 nan 8.290 nan 0.000 0.404 794 Q N -0.625 119.178 119.800 0.005 0.000 1.954 794 Q HA -0.262 4.078 4.340 0.000 0.000 0.215 794 Q C 1.960 177.960 176.000 0.001 0.000 1.026 794 Q CA 3.087 58.902 55.803 0.020 0.000 0.881 794 Q CB -0.744 28.002 28.738 0.013 0.000 0.977 794 Q HN 0.385 nan 8.270 nan 0.000 0.416 795 V N 0.102 120.005 119.914 -0.019 0.000 2.913 795 V HA -0.113 4.007 4.120 0.000 0.000 0.260 795 V C 2.052 178.118 176.094 -0.047 0.000 1.098 795 V CA 1.370 63.650 62.300 -0.033 0.000 1.121 795 V CB 0.102 31.904 31.823 -0.035 0.000 0.714 795 V HN 0.409 nan 8.190 nan 0.000 0.487 796 V N 0.513 120.400 119.914 -0.044 0.000 2.667 796 V HA -0.115 4.005 4.120 0.000 0.000 0.252 796 V C 2.770 178.836 176.094 -0.047 0.000 1.065 796 V CA 1.695 63.965 62.300 -0.049 0.000 1.083 796 V CB -0.764 31.025 31.823 -0.057 0.000 0.692 796 V HN 0.665 nan 8.190 nan 0.000 0.468 797 A N 0.192 122.993 122.820 -0.032 0.000 1.902 797 A HA -0.115 4.205 4.320 0.000 0.000 0.217 797 A C 2.377 179.922 177.584 -0.064 0.000 1.181 797 A CA 1.896 53.923 52.037 -0.018 0.000 0.623 797 A CB -0.687 18.324 19.000 0.019 0.000 0.818 797 A HN 0.569 nan 8.150 nan 0.000 0.443 798 A N -0.388 122.361 122.820 -0.117 0.000 2.121 798 A HA 0.182 4.502 4.320 0.000 0.000 0.218 798 A C 1.579 178.831 177.584 -0.553 0.000 1.154 798 A CA 0.990 52.840 52.037 -0.312 0.000 0.679 798 A CB -0.533 18.354 19.000 -0.188 0.000 0.795 798 A HN 0.412 nan 8.150 nan 0.000 0.458 799 S N -0.034 115.516 115.700 -0.249 0.000 2.606 799 S HA 0.218 4.688 4.470 0.000 0.000 0.257 799 S C 0.291 174.838 174.600 -0.088 0.000 1.327 799 S CA 0.337 58.448 58.200 -0.149 0.000 0.984 799 S CB 0.592 63.772 63.200 -0.032 0.000 0.941 799 S HN 0.517 nan 8.310 nan 0.000 0.576 800 D N -0.863 119.570 120.400 0.055 0.000 2.379 800 D HA 0.174 4.815 4.640 0.000 0.000 0.208 800 D C -0.486 176.031 176.300 0.361 0.000 1.065 800 D CA 0.102 54.209 54.000 0.177 0.000 0.848 800 D CB 0.465 41.356 40.800 0.152 0.000 0.949 800 D HN 0.411 nan 8.370 nan 0.000 0.509 801 W N 1.012 122.326 121.300 0.023 0.000 3.953 801 W HA 0.333 4.993 4.660 0.000 0.000 0.286 801 W C -2.204 174.341 176.519 0.044 0.000 1.256 801 W CA -0.688 56.689 57.345 0.053 0.000 1.244 801 W CB 1.147 30.655 29.460 0.081 0.000 1.262 801 W HN -0.489 nan 8.180 nan 0.000 0.522 802 V N 6.217 126.007 119.914 -0.207 0.000 2.459 802 V HA 0.418 4.538 4.120 0.000 0.000 0.295 802 V C -0.373 175.558 176.094 -0.272 0.000 1.029 802 V CA -0.808 61.389 62.300 -0.172 0.000 0.874 802 V CB 1.651 33.371 31.823 -0.172 0.000 0.985 802 V HN 0.261 nan 8.190 nan 0.000 0.438 803 L N 3.969 125.142 121.223 -0.084 0.000 2.280 803 L HA 0.525 4.865 4.340 0.000 0.000 0.287 803 L C -0.389 176.451 176.870 -0.051 0.000 1.023 803 L CA -0.123 54.672 54.840 -0.074 0.000 0.819 803 L CB 1.147 43.206 42.059 0.001 0.000 1.212 803 L HN 0.683 nan 8.230 nan 0.000 0.420 804 D N 3.555 123.915 120.400 -0.066 0.000 2.280 804 D HA 0.468 5.108 4.640 0.000 0.000 0.236 804 D C -0.455 175.835 176.300 -0.017 0.000 1.082 804 D CA -0.295 53.687 54.000 -0.029 0.000 0.834 804 D CB 0.936 41.721 40.800 -0.025 0.000 1.100 804 D HN 0.156 nan 8.370 nan 0.000 0.486 805 I N 2.286 122.857 120.570 0.001 0.000 2.707 805 I HA 0.559 4.729 4.170 0.000 0.000 0.309 805 I C 1.543 177.654 176.117 -0.011 0.000 1.001 805 I CA -0.430 60.868 61.300 -0.003 0.000 1.129 805 I CB 0.838 38.841 38.000 0.005 0.000 1.308 805 I HN 0.681 nan 8.210 nan 0.000 0.466 806 G N 5.428 114.215 108.800 -0.020 0.000 2.622 806 G HA2 -0.196 3.764 3.960 0.000 0.000 0.272 806 G HA3 -0.196 3.764 3.960 0.000 0.000 0.272 806 G C -2.625 172.259 174.900 -0.026 0.000 1.308 806 G CA 0.038 45.120 45.100 -0.030 0.000 0.919 806 G HN 0.434 nan 8.290 nan 0.000 0.565 807 P HA 0.261 nan 4.420 nan 0.000 0.206 807 P C 1.405 178.676 177.300 -0.048 0.000 1.136 807 P CA 1.690 64.772 63.100 -0.031 0.000 0.905 807 P CB 0.031 31.716 31.700 -0.024 0.000 0.754 808 G N -0.585 108.186 108.800 -0.048 0.000 2.574 808 G HA2 0.572 4.532 3.960 0.000 0.000 0.248 808 G HA3 0.572 4.532 3.960 0.000 0.000 0.248 808 G C -0.803 174.049 174.900 -0.079 0.000 1.422 808 G CA -0.190 44.873 45.100 -0.062 0.000 1.051 808 G HN 0.323 nan 8.290 nan 0.000 0.560 809 A N -2.288 120.482 122.820 -0.084 0.000 2.294 809 A HA 0.753 5.073 4.320 0.000 0.000 0.330 809 A C 1.156 178.699 177.584 -0.068 0.000 1.133 809 A CA 0.813 52.752 52.037 -0.163 0.000 0.836 809 A CB 0.428 19.275 19.000 -0.256 0.000 1.190 809 A HN 2.496 nan 8.150 nan 0.000 0.492 810 G N 0.774 109.518 108.800 -0.093 0.000 2.602 810 G HA2 -0.333 3.627 3.960 0.000 0.000 0.310 810 G HA3 -0.333 3.627 3.960 0.000 0.000 0.310 810 G C 0.741 175.656 174.900 0.026 0.000 1.183 810 G CA 0.747 45.870 45.100 0.038 0.000 0.979 810 G HN 0.843 nan 8.290 nan 0.000 0.545 811 E N 1.452 121.678 120.200 0.043 0.000 2.427 811 E HA 0.027 4.377 4.350 0.000 0.000 0.196 811 E C 0.378 176.984 176.600 0.010 0.000 1.028 811 E CA 0.930 57.345 56.400 0.025 0.000 0.864 811 E CB 0.075 29.792 29.700 0.028 0.000 0.813 811 E HN 0.518 nan 8.360 nan 0.000 0.514 812 D N 0.567 120.970 120.400 0.004 0.000 2.738 812 D HA 0.198 4.838 4.640 0.000 0.000 0.246 812 D C 0.465 176.753 176.300 -0.020 0.000 1.270 812 D CA 0.072 54.068 54.000 -0.007 0.000 0.833 812 D CB 0.819 41.615 40.800 -0.008 0.000 1.040 812 D HN 0.119 nan 8.370 nan 0.000 0.487 813 G N -1.059 107.728 108.800 -0.022 0.000 3.100 813 G HA2 0.430 4.390 3.960 0.000 0.000 0.174 813 G HA3 0.430 4.390 3.960 0.000 0.000 0.174 813 G C 0.750 175.637 174.900 -0.022 0.000 1.136 813 G CA 0.188 45.268 45.100 -0.033 0.000 0.881 813 G HN 0.079 nan 8.290 nan 0.000 0.616 814 G N -0.719 108.066 108.800 -0.025 0.000 2.219 814 G HA2 -0.276 3.684 3.960 0.000 0.000 0.271 814 G HA3 -0.276 3.684 3.960 0.000 0.000 0.271 814 G C 0.699 175.594 174.900 -0.007 0.000 0.991 814 G CA 1.323 46.417 45.100 -0.011 0.000 0.685 814 G HN 0.524 nan 8.290 nan 0.000 0.531 815 R N -0.742 119.751 120.500 -0.013 0.000 2.674 815 R HA 0.520 4.860 4.340 0.000 0.000 0.266 815 R C 0.164 176.453 176.300 -0.018 0.000 1.016 815 R CA -0.998 55.094 56.100 -0.014 0.000 1.062 815 R CB 0.959 31.250 30.300 -0.016 0.000 1.142 815 R HN 0.160 nan 8.270 nan 0.000 0.517 816 L N 3.619 124.828 121.223 -0.023 0.000 2.657 816 L HA 0.091 4.431 4.340 0.000 0.000 0.239 816 L C 1.299 178.146 176.870 -0.038 0.000 1.215 816 L CA 0.077 54.898 54.840 -0.033 0.000 1.161 816 L CB 0.563 42.597 42.059 -0.041 0.000 1.436 816 L HN 0.449 nan 8.230 nan 0.000 0.414 817 V N 2.942 122.836 119.914 -0.033 0.000 2.594 817 V HA 0.024 4.144 4.120 0.000 0.000 0.253 817 V C 0.915 176.984 176.094 -0.042 0.000 1.069 817 V CA 1.567 63.848 62.300 -0.032 0.000 1.082 817 V CB -0.022 31.788 31.823 -0.023 0.000 0.680 817 V HN 0.735 nan 8.190 nan 0.000 0.469 818 A N -0.567 122.218 122.820 -0.058 0.000 2.601 818 A HA 0.768 5.088 4.320 0.000 0.000 0.291 818 A C -0.986 176.515 177.584 -0.137 0.000 1.075 818 A CA -0.146 51.839 52.037 -0.086 0.000 0.671 818 A CB 1.467 20.421 19.000 -0.077 0.000 1.277 818 A HN 0.649 nan 8.150 nan 0.000 0.417 819 Q N -0.441 119.236 119.800 -0.205 0.000 2.874 819 Q HA 0.644 4.984 4.340 0.000 0.000 0.303 819 Q C -0.023 175.616 176.000 -0.601 0.000 0.876 819 Q CA -0.466 55.114 55.803 -0.372 0.000 0.765 819 Q CB 0.689 29.279 28.738 -0.248 0.000 1.478 819 Q HN 2.773 nan 8.270 nan 0.000 0.434 820 G N 0.398 108.383 108.800 -1.358 0.000 2.384 820 G HA2 0.035 3.995 3.960 0.000 0.000 0.204 820 G HA3 0.035 3.995 3.960 0.000 0.000 0.204 820 G C -0.306 173.830 174.900 -1.274 0.000 1.237 820 G CA -0.151 43.867 45.100 -1.804 0.000 1.060 820 G HN 1.422 nan 8.290 nan 0.000 0.514 821 T N -0.450 113.815 114.554 -0.481 0.000 2.828 821 T HA 0.586 4.936 4.350 0.000 0.000 0.290 821 T C -0.842 173.781 174.700 -0.128 0.000 1.019 821 T CA -0.076 61.963 62.100 -0.100 0.000 1.031 821 T CB 1.655 70.580 68.868 0.096 0.000 1.001 821 T HN 0.288 nan 8.240 nan 0.000 0.531 822 P HA 0.010 nan 4.420 nan 0.000 0.215 822 P C 1.720 179.002 177.300 -0.029 0.000 1.157 822 P CA 1.678 64.752 63.100 -0.043 0.000 0.863 822 P CB -0.384 31.311 31.700 -0.008 0.000 0.787 823 A N -0.076 122.745 122.820 0.002 0.000 1.948 823 A HA -0.279 4.041 4.320 0.000 0.000 0.220 823 A C 2.115 179.690 177.584 -0.015 0.000 1.177 823 A CA 1.944 53.986 52.037 0.008 0.000 0.636 823 A CB -1.207 17.812 19.000 0.032 0.000 0.815 823 A HN 0.226 nan 8.150 nan 0.000 0.449 824 E N -0.817 119.359 120.200 -0.039 0.000 2.033 824 E HA -0.048 4.302 4.350 0.000 0.000 0.189 824 E C 1.940 178.491 176.600 -0.082 0.000 0.979 824 E CA 0.987 57.352 56.400 -0.059 0.000 0.802 824 E CB -0.214 29.430 29.700 -0.093 0.000 0.763 824 E HN 0.345 nan 8.360 nan 0.000 0.449 825 V N 1.579 121.421 119.914 -0.120 0.000 2.594 825 V HA -0.182 3.938 4.120 0.000 0.000 0.253 825 V C 2.082 178.136 176.094 -0.067 0.000 1.069 825 V CA 1.539 63.765 62.300 -0.122 0.000 1.082 825 V CB -0.506 31.216 31.823 -0.168 0.000 0.680 825 V HN 0.274 nan 8.190 nan 0.000 0.469 826 A N -1.149 121.642 122.820 -0.048 0.000 2.248 826 A HA -0.112 4.208 4.320 0.000 0.000 0.210 826 A C 1.927 179.493 177.584 -0.029 0.000 1.174 826 A CA 1.014 53.034 52.037 -0.028 0.000 0.750 826 A CB -0.258 18.732 19.000 -0.018 0.000 0.780 826 A HN 0.513 nan 8.150 nan 0.000 0.478 827 Q N -1.277 118.501 119.800 -0.036 0.000 2.189 827 Q HA 0.479 4.819 4.340 0.000 0.000 0.223 827 Q C 0.640 176.619 176.000 -0.034 0.000 0.828 827 Q CA 0.511 56.295 55.803 -0.032 0.000 0.967 827 Q CB 0.400 29.121 28.738 -0.028 0.000 1.139 827 Q HN 0.556 nan 8.270 nan 0.000 0.497 828 A N -0.046 122.750 122.820 -0.040 0.000 2.492 828 A HA 0.455 4.775 4.320 0.000 0.000 0.236 828 A C 1.108 178.675 177.584 -0.028 0.000 1.078 828 A CA 0.624 52.637 52.037 -0.040 0.000 0.773 828 A CB 0.084 19.056 19.000 -0.047 0.000 1.023 828 A HN 0.409 nan 8.150 nan 0.000 0.504 829 A N 1.343 124.146 122.820 -0.027 0.000 1.833 829 A HA 0.338 4.658 4.320 0.000 0.000 0.215 829 A C 1.746 179.320 177.584 -0.017 0.000 1.275 829 A CA 1.436 53.460 52.037 -0.022 0.000 0.602 829 A CB -1.118 17.869 19.000 -0.022 0.000 0.929 829 A HN 1.670 nan 8.150 nan 0.000 0.462 830 G N -0.100 108.690 108.800 -0.017 0.000 3.782 830 G HA2 0.402 4.362 3.960 0.000 0.000 0.288 830 G HA3 0.402 4.362 3.960 0.000 0.000 0.288 830 G C 0.173 175.069 174.900 -0.007 0.000 1.300 830 G CA 0.677 45.770 45.100 -0.012 0.000 1.261 830 G HN 0.499 nan 8.290 nan 0.000 0.591 831 S N -0.539 115.160 115.700 -0.001 0.000 2.554 831 S HA 0.341 4.811 4.470 0.000 0.000 0.278 831 S C 1.385 176.013 174.600 0.047 0.000 1.242 831 S CA -0.638 57.573 58.200 0.017 0.000 1.051 831 S CB 1.565 64.773 63.200 0.013 0.000 0.986 831 S HN 0.112 nan 8.310 nan 0.000 0.502 832 V N 3.527 123.488 119.914 0.078 0.000 2.992 832 V HA 0.027 4.147 4.120 0.000 0.000 0.250 832 V C 2.583 178.855 176.094 0.297 0.000 1.090 832 V CA 1.303 63.669 62.300 0.109 0.000 1.101 832 V CB -1.275 30.536 31.823 -0.020 0.000 0.743 832 V HN 1.000 nan 8.190 nan 0.000 0.468 833 T N -1.065 113.694 114.554 0.341 0.000 3.085 833 T HA 0.104 4.454 4.350 0.000 0.000 0.263 833 T C 1.887 176.716 174.700 0.215 0.000 1.127 833 T CA 1.122 63.450 62.100 0.380 0.000 1.103 833 T CB -0.051 68.941 68.868 0.207 0.000 0.921 833 T HN 0.449 nan 8.240 nan 0.000 0.510 834 A N 3.270 126.163 122.820 0.122 0.000 1.859 834 A HA -0.032 4.288 4.320 0.000 0.000 0.218 834 A C 0.339 177.922 177.584 -0.000 0.000 1.209 834 A CA 1.782 53.840 52.037 0.036 0.000 0.639 834 A CB -1.698 17.306 19.000 0.007 0.000 0.835 834 A HN 0.549 nan 8.150 nan 0.000 0.450 835 P HA -0.030 nan 4.420 nan 0.000 0.225 835 P C 0.670 177.811 177.300 -0.265 0.000 1.156 835 P CA 0.805 63.785 63.100 -0.200 0.000 0.787 835 P CB -0.160 31.354 31.700 -0.311 0.000 0.802 836 Y N -1.122 119.195 120.300 0.030 0.000 2.439 836 Y HA -0.027 4.523 4.550 0.000 0.000 0.292 836 Y C 2.253 178.148 175.900 -0.008 0.000 1.130 836 Y CA 0.654 58.763 58.100 0.015 0.000 1.254 836 Y CB -0.706 37.767 38.460 0.022 0.000 1.000 836 Y HN -0.105 nan 8.280 nan 0.000 0.554 837 L N -0.418 120.860 121.223 0.092 0.000 2.084 837 L HA -0.130 4.210 4.340 0.000 0.000 0.202 837 L C 2.777 179.659 176.870 0.019 0.000 1.074 837 L CA 0.903 55.769 54.840 0.043 0.000 0.757 837 L CB -0.339 41.730 42.059 0.018 0.000 0.918 837 L HN 0.116 nan 8.230 nan 0.000 0.444 838 R N 0.525 121.022 120.500 -0.005 0.000 2.119 838 R HA -0.254 4.086 4.340 0.000 0.000 0.246 838 R C 2.102 178.394 176.300 -0.012 0.000 1.146 838 R CA 1.822 57.912 56.100 -0.015 0.000 0.962 838 R CB -0.345 29.934 30.300 -0.034 0.000 0.863 838 R HN 0.378 nan 8.270 nan 0.000 0.442 839 A N 0.815 123.622 122.820 -0.022 0.000 1.865 839 A HA -0.131 4.189 4.320 0.000 0.000 0.217 839 A C 2.351 179.946 177.584 0.019 0.000 1.191 839 A CA 2.038 54.069 52.037 -0.010 0.000 0.623 839 A CB -0.866 18.128 19.000 -0.010 0.000 0.826 839 A HN 0.580 nan 8.150 nan 0.000 0.444 840 A N -1.378 121.467 122.820 0.041 0.000 2.167 840 A HA 0.325 4.645 4.320 0.000 0.000 0.214 840 A C 2.021 179.633 177.584 0.046 0.000 1.151 840 A CA 0.778 52.846 52.037 0.051 0.000 0.735 840 A CB -0.342 18.694 19.000 0.061 0.000 0.802 840 A HN 0.471 nan 8.150 nan 0.000 0.467 841 L N -0.903 120.341 121.223 0.034 0.000 2.062 841 L HA 0.038 4.378 4.340 0.000 0.000 0.202 841 L C 1.414 178.305 176.870 0.035 0.000 1.079 841 L CA 0.209 55.070 54.840 0.036 0.000 0.755 841 L CB -0.427 41.648 42.059 0.026 0.000 0.913 841 L HN 0.332 nan 8.230 nan 0.000 0.445 842 R N 0.000 120.513 120.500 0.021 0.000 2.786 842 R HA 0.000 4.340 4.340 0.000 0.000 0.208 842 R CA 0.000 56.109 56.100 0.015 0.000 0.921 842 R CB 0.000 30.301 30.300 0.002 0.000 0.687 842 R HN 0.000 nan 8.270 nan 0.000 0.535