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 3ly6_1_B DATA FIRST_RESID 4 DATA SEQUENCE ELVLERCDLE LETNGRDHHT ADLCREKLVV RRGQPFWLTL HFEGRNYEAS DATA SEQUENCE VDSLTFSVVT GPAPSQEAGT KARFPLRDAV XXGDWTATVV DQQDCTLSLQ DATA SEQUENCE LTTPANAPIG LYRLSLEAST GYQGSSFVLG HFILLFNAWC PADAVYLDSE DATA SEQUENCE EERQEYVLTQ QGFIYQGSAK FIKNIPWNFG QFEDGILDIC LILLDVNPKF DATA SEQUENCE LKNAGRDCSR RSSPVYVGRV GSGMVNcNDD QGVLLGRWDN NYGDGVSPMS DATA SEQUENCE WIGSVDILRR WKNHGCQRVK YGQCWVFAAV ACTVLRCLGI PTRVVTNYNS DATA SEQUENCE AHDQNSNLLI EYFRNEFGEI QGDKSEMIWN FHCWVESWMT RPDLQPGYEG DATA SEQUENCE WQALDPTPQE KSEGTYcCGP VPVRAIKEGD LSTKYDAPFV FAEVNADVVD DATA SEQUENCE WIQQDDGSVH KSINRSLIVG LKISTKSVGR DEREDITHTY KYPEGSSEER DATA SEQUENCE EAFTRANHLN KLAEKEETGM AMRIRVGQSM NMGSDFDVFA HITNNTAEEY DATA SEQUENCE VCRLLLCART VSYNGILGPE CGTKYLLNLN LEPFSEKSVP LCILYEKYRD DATA SEQUENCE CLTESNLIKV RALLVEPVIN SYLLAERDLY LENPEIKIRI LGEPKQKRKL DATA SEQUENCE VAEVSLQNPL PVALEGCTFT VEGAGLTEEQ KTVEIPDPVE AGEEVKVRMD DATA SEQUENCE LLPLHMGLHK LVVNFESDKL KAVKGFRNVI IGPAL 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.543 176.600 -0.095 0.000 1.382 4 E CA 0.000 56.356 56.400 -0.073 0.000 0.976 4 E CB 0.000 29.656 29.700 -0.074 0.000 0.812 5 L N 1.908 123.095 121.223 -0.060 0.000 2.493 5 L HA 0.521 4.861 4.340 0.001 0.000 0.265 5 L C -1.032 175.836 176.870 -0.003 0.000 0.954 5 L CA -0.882 53.930 54.840 -0.046 0.000 0.844 5 L CB 1.619 43.667 42.059 -0.019 0.000 1.302 5 L HN 0.631 nan 8.230 nan 0.000 0.405 6 V N 3.609 123.530 119.914 0.013 0.000 2.673 6 V HA 0.112 4.233 4.120 0.001 0.000 0.303 6 V C 1.183 177.405 176.094 0.213 0.000 1.046 6 V CA -0.238 62.117 62.300 0.092 0.000 1.126 6 V CB 0.346 32.250 31.823 0.134 0.000 0.934 6 V HN 0.752 nan 8.190 nan 0.000 0.487 7 L N 1.697 123.098 121.223 0.297 0.000 2.035 7 L HA 0.320 4.661 4.340 0.001 0.000 0.207 7 L C 1.200 178.283 176.870 0.355 0.000 1.173 7 L CA 1.228 56.248 54.840 0.299 0.000 0.852 7 L CB -0.605 41.601 42.059 0.246 0.000 0.946 7 L HN 1.072 nan 8.230 nan 0.000 0.483 8 E N 0.749 121.157 120.200 0.348 0.000 6.253 8 E HA -0.158 4.193 4.350 0.001 0.000 0.182 8 E C -0.787 175.774 176.600 -0.064 0.000 1.242 8 E CA -0.078 56.286 56.400 -0.060 0.000 1.417 8 E CB -0.217 29.432 29.700 -0.086 0.000 0.969 8 E HN 0.430 nan 8.360 nan 0.000 0.317 9 R N 2.849 123.314 120.500 -0.059 0.000 2.997 9 R HA 0.452 4.792 4.340 0.001 0.000 0.358 9 R C -0.339 175.906 176.300 -0.091 0.000 1.191 9 R CA 0.053 56.122 56.100 -0.052 0.000 1.113 9 R CB 0.276 30.576 30.300 0.001 0.000 1.433 9 R HN 0.424 nan 8.270 nan 0.000 0.584 10 C N -0.566 118.648 119.300 -0.143 0.000 2.873 10 C HA 0.124 4.584 4.460 0.001 0.000 0.316 10 C C -1.784 173.117 174.990 -0.149 0.000 1.294 10 C CA -0.778 58.141 59.018 -0.166 0.000 1.222 10 C CB 2.064 29.651 27.740 -0.255 0.000 1.309 10 C HN 0.706 nan 8.230 nan 0.000 0.460 11 D N 1.576 121.903 120.400 -0.121 0.000 2.926 11 D HA 0.231 4.872 4.640 0.001 0.000 0.234 11 D C -0.995 175.292 176.300 -0.023 0.000 1.434 11 D CA -0.161 53.805 54.000 -0.056 0.000 0.951 11 D CB -0.004 40.744 40.800 -0.087 0.000 1.500 11 D HN 0.601 nan 8.370 nan 0.000 0.558 12 L N 1.499 122.730 121.223 0.014 0.000 2.467 12 L HA 0.284 4.624 4.340 0.001 0.000 0.270 12 L C 0.993 177.911 176.870 0.080 0.000 1.205 12 L CA 0.230 55.093 54.840 0.038 0.000 0.828 12 L CB 0.865 42.975 42.059 0.085 0.000 1.101 12 L HN 0.333 nan 8.230 nan 0.000 0.479 13 E N 3.077 123.325 120.200 0.080 0.000 2.541 13 E HA 0.214 4.564 4.350 0.001 0.000 0.219 13 E C -0.245 176.423 176.600 0.114 0.000 0.922 13 E CA -0.356 56.106 56.400 0.103 0.000 1.095 13 E CB 0.471 30.210 29.700 0.066 0.000 1.112 13 E HN 0.445 nan 8.360 nan 0.000 0.516 14 L N 0.915 122.201 121.223 0.105 0.000 0.628 14 L HA -0.288 4.052 4.340 0.001 0.000 0.357 14 L C 0.922 177.803 176.870 0.018 0.000 1.003 14 L CA 1.277 56.173 54.840 0.093 0.000 1.222 14 L CB -0.386 41.789 42.059 0.194 0.000 0.017 14 L HN 0.168 nan 8.230 nan 0.000 0.108 15 E N -1.826 118.365 120.200 -0.014 0.000 2.476 15 E HA 0.064 4.414 4.350 0.001 0.000 0.199 15 E C 1.254 177.795 176.600 -0.098 0.000 1.021 15 E CA 0.537 56.905 56.400 -0.054 0.000 0.907 15 E CB -0.071 29.602 29.700 -0.045 0.000 0.974 15 E HN 0.790 nan 8.360 nan 0.000 0.489 16 T N -1.724 112.755 114.554 -0.126 0.000 3.072 16 T HA -0.016 4.334 4.350 0.001 0.000 0.266 16 T C 1.147 175.714 174.700 -0.222 0.000 1.127 16 T CA 0.927 62.892 62.100 -0.224 0.000 1.107 16 T CB -0.320 68.317 68.868 -0.385 0.000 0.910 16 T HN 0.053 nan 8.240 nan 0.000 0.513 17 N N 1.619 120.233 118.700 -0.144 0.000 2.250 17 N HA 0.150 4.891 4.740 0.001 0.000 0.181 17 N C 2.191 177.627 175.510 -0.123 0.000 1.017 17 N CA 1.081 54.066 53.050 -0.109 0.000 0.866 17 N CB -0.770 37.639 38.487 -0.129 0.000 0.985 17 N HN 0.504 nan 8.380 nan 0.000 0.429 18 G N 1.075 109.789 108.800 -0.144 0.000 2.433 18 G HA2 -0.257 3.704 3.960 0.001 0.000 0.216 18 G HA3 -0.257 3.704 3.960 0.001 0.000 0.216 18 G C 1.549 176.343 174.900 -0.177 0.000 1.186 18 G CA 0.504 45.515 45.100 -0.149 0.000 0.779 18 G HN 0.200 nan 8.290 nan 0.000 0.543 19 R N 0.182 120.569 120.500 -0.188 0.000 2.105 19 R HA -0.080 4.261 4.340 0.001 0.000 0.239 19 R C 2.247 178.321 176.300 -0.376 0.000 1.135 19 R CA 1.558 57.508 56.100 -0.250 0.000 0.967 19 R CB -0.320 29.855 30.300 -0.209 0.000 0.861 19 R HN 0.280 nan 8.270 nan 0.000 0.442 20 D N -0.855 119.377 120.400 -0.279 0.000 2.144 20 D HA -0.090 4.550 4.640 0.001 0.000 0.200 20 D C 1.221 177.301 176.300 -0.367 0.000 0.978 20 D CA 1.098 54.923 54.000 -0.292 0.000 0.833 20 D CB 0.012 40.740 40.800 -0.119 0.000 0.961 20 D HN 0.378 nan 8.370 nan 0.000 0.470 21 H N -1.079 117.786 119.070 -0.341 0.000 2.517 21 H HA 0.108 4.664 4.556 0.001 0.000 0.282 21 H C -0.225 174.955 175.328 -0.248 0.000 1.023 21 H CA -0.030 55.880 56.048 -0.230 0.000 1.169 21 H CB 0.137 29.799 29.762 -0.165 0.000 1.454 21 H HN 0.249 nan 8.280 nan 0.000 0.556 22 H N 0.464 119.304 119.070 -0.383 0.000 2.748 22 H HA -0.146 4.411 4.556 0.001 0.000 0.322 22 H C 0.476 175.625 175.328 -0.299 0.000 1.208 22 H CA 1.108 56.894 56.048 -0.437 0.000 1.151 22 H CB -1.926 27.277 29.762 -0.931 0.000 1.505 22 H HN 0.469 nan 8.280 nan 0.000 0.429 23 T N -4.668 109.773 114.554 -0.188 0.000 3.541 23 T HA 0.653 5.003 4.350 0.001 0.000 0.309 23 T C 1.599 176.161 174.700 -0.229 0.000 0.973 23 T CA 0.076 62.024 62.100 -0.252 0.000 0.993 23 T CB 0.363 69.131 68.868 -0.166 0.000 1.206 23 T HN 0.479 nan 8.240 nan 0.000 0.489 24 A N 2.526 125.236 122.820 -0.184 0.000 1.865 24 A HA -0.114 4.206 4.320 0.001 0.000 0.217 24 A C 2.038 179.582 177.584 -0.067 0.000 1.191 24 A CA 2.052 54.022 52.037 -0.111 0.000 0.623 24 A CB -0.799 18.157 19.000 -0.074 0.000 0.826 24 A HN 0.487 nan 8.150 nan 0.000 0.444 25 D N -0.503 119.859 120.400 -0.063 0.000 2.123 25 D HA -0.112 4.529 4.640 0.001 0.000 0.196 25 D C 1.600 177.889 176.300 -0.019 0.000 0.992 25 D CA 0.914 54.942 54.000 0.047 0.000 0.833 25 D CB -0.382 40.445 40.800 0.044 0.000 0.954 25 D HN 0.273 nan 8.370 nan 0.000 0.455 26 L N 0.150 121.257 121.223 -0.193 0.000 2.465 26 L HA -0.018 4.323 4.340 0.001 0.000 0.224 26 L C 0.651 177.482 176.870 -0.064 0.000 1.145 26 L CA 0.454 55.214 54.840 -0.133 0.000 0.834 26 L CB -0.113 41.794 42.059 -0.253 0.000 0.944 26 L HN 0.006 nan 8.230 nan 0.000 0.451 27 C N 1.489 120.747 119.300 -0.069 0.000 2.298 27 C HA 0.353 4.814 4.460 0.001 0.000 0.451 27 C C 0.624 175.604 174.990 -0.016 0.000 1.028 27 C CA -0.601 58.387 59.018 -0.049 0.000 1.324 27 C CB -1.768 25.927 27.740 -0.075 0.000 1.534 27 C HN 0.247 nan 8.230 nan 0.000 0.528 28 R N 1.751 122.252 120.500 0.002 0.000 2.483 28 R HA 0.286 4.626 4.340 0.001 0.000 0.303 28 R C -0.320 175.989 176.300 0.015 0.000 0.987 28 R CA -0.536 55.572 56.100 0.013 0.000 0.881 28 R CB 1.124 31.443 30.300 0.031 0.000 1.177 28 R HN 0.420 nan 8.270 nan 0.000 0.451 29 E N 2.239 122.446 120.200 0.011 0.000 2.183 29 E HA -0.258 4.092 4.350 0.001 0.000 0.196 29 E C -1.188 175.427 176.600 0.025 0.000 1.364 29 E CA 1.389 57.799 56.400 0.016 0.000 0.700 29 E CB -0.763 28.947 29.700 0.016 0.000 1.106 29 E HN 0.545 nan 8.360 nan 0.000 0.347 30 K N -0.019 120.397 120.400 0.027 0.000 3.050 30 K HA 0.057 4.377 4.320 0.001 0.000 0.385 30 K C -1.414 175.203 176.600 0.029 0.000 1.321 30 K CA -0.595 55.719 56.287 0.045 0.000 1.048 30 K CB -0.087 32.441 32.500 0.047 0.000 1.279 30 K HN 0.089 nan 8.250 nan 0.000 0.441 31 L N 4.507 125.752 121.223 0.037 0.000 2.453 31 L HA 0.445 4.786 4.340 0.001 0.000 0.272 31 L C -1.073 175.781 176.870 -0.026 0.000 1.182 31 L CA 0.466 55.291 54.840 -0.024 0.000 0.858 31 L CB 1.301 43.329 42.059 -0.051 0.000 1.120 31 L HN 0.311 nan 8.230 nan 0.000 0.474 32 V N 5.915 125.763 119.914 -0.111 0.000 2.638 32 V HA 0.746 4.867 4.120 0.001 0.000 0.306 32 V C -0.311 175.635 176.094 -0.247 0.000 1.052 32 V CA -0.275 61.964 62.300 -0.102 0.000 0.885 32 V CB 1.678 33.466 31.823 -0.059 0.000 0.999 32 V HN 0.800 nan 8.190 nan 0.000 0.424 33 V N 2.288 122.031 119.914 -0.285 0.000 3.182 33 V HA 0.751 4.871 4.120 0.001 0.000 0.308 33 V C -0.907 175.163 176.094 -0.040 0.000 1.240 33 V CA -1.269 60.784 62.300 -0.411 0.000 1.063 33 V CB 2.544 33.735 31.823 -1.053 0.000 1.076 33 V HN 0.798 nan 8.190 nan 0.000 0.446 34 R N 1.164 121.842 120.500 0.297 0.000 2.437 34 R HA 0.560 4.900 4.340 0.001 0.000 0.310 34 R C -0.100 176.288 176.300 0.147 0.000 0.955 34 R CA -0.841 55.386 56.100 0.212 0.000 0.851 34 R CB 1.971 32.422 30.300 0.251 0.000 1.161 34 R HN 0.974 nan 8.270 nan 0.000 0.446 35 R N 0.765 121.294 120.500 0.050 0.000 2.802 35 R HA 0.055 4.395 4.340 0.001 0.000 0.264 35 R C 0.528 176.822 176.300 -0.010 0.000 0.996 35 R CA 0.793 56.876 56.100 -0.030 0.000 1.123 35 R CB 0.003 30.273 30.300 -0.049 0.000 0.996 35 R HN 0.809 nan 8.270 nan 0.000 0.444 36 G N -0.101 108.645 108.800 -0.090 0.000 2.148 36 G HA2 -0.354 3.606 3.960 0.001 0.000 0.254 36 G HA3 -0.354 3.606 3.960 0.001 0.000 0.254 36 G C -0.106 174.759 174.900 -0.059 0.000 0.981 36 G CA 0.734 45.787 45.100 -0.078 0.000 0.670 36 G HN 0.812 nan 8.290 nan 0.000 0.528 37 Q N -0.010 119.771 119.800 -0.032 0.000 2.421 37 Q HA 0.612 4.953 4.340 0.001 0.000 0.280 37 Q C -2.860 173.202 176.000 0.105 0.000 1.085 37 Q CA -2.167 53.614 55.803 -0.036 0.000 0.807 37 Q CB 3.281 31.890 28.738 -0.215 0.000 1.405 37 Q HN 0.203 nan 8.270 nan 0.000 0.419 38 P HA 0.352 nan 4.420 nan 0.000 0.284 38 P C -1.389 176.113 177.300 0.337 0.000 1.258 38 P CA -0.305 62.853 63.100 0.097 0.000 0.824 38 P CB 0.588 32.280 31.700 -0.013 0.000 1.038 39 F N -1.358 118.635 119.950 0.073 0.000 2.569 39 F HA 0.566 5.093 4.527 0.001 0.000 0.312 39 F C -0.578 175.308 175.800 0.144 0.000 1.109 39 F CA -1.610 56.432 58.000 0.070 0.000 0.919 39 F CB 0.340 39.227 39.000 -0.188 0.000 1.211 39 F HN 0.187 nan 8.300 nan 0.000 0.446 40 W N 3.492 124.822 121.300 0.050 0.000 2.160 40 W HA 0.428 5.088 4.660 0.000 0.000 0.352 40 W C -0.309 176.208 176.519 -0.005 0.000 1.288 40 W CA -0.766 56.572 57.345 -0.012 0.000 1.279 40 W CB 0.538 30.009 29.460 0.019 0.000 1.181 40 W HN 0.742 nan 8.180 nan 0.000 0.593 41 L N 3.353 124.640 121.223 0.108 0.000 2.722 41 L HA 0.114 4.455 4.340 0.001 0.000 0.244 41 L C -0.087 176.769 176.870 -0.023 0.000 1.023 41 L CA -0.258 54.609 54.840 0.045 0.000 0.988 41 L CB 0.120 42.145 42.059 -0.058 0.000 1.245 41 L HN 0.455 nan 8.230 nan 0.000 0.508 42 T N 1.152 115.712 114.554 0.011 0.000 2.869 42 T HA 0.615 4.965 4.350 0.001 0.000 0.295 42 T C -0.194 174.530 174.700 0.041 0.000 0.987 42 T CA -0.480 61.601 62.100 -0.032 0.000 1.109 42 T CB 1.569 70.433 68.868 -0.005 0.000 0.932 42 T HN 0.401 nan 8.240 nan 0.000 0.518 43 L N 2.795 123.992 121.223 -0.044 0.000 2.346 43 L HA 0.477 4.817 4.340 0.001 0.000 0.276 43 L C -0.699 176.052 176.870 -0.198 0.000 1.006 43 L CA -1.116 53.674 54.840 -0.083 0.000 0.817 43 L CB 1.738 43.695 42.059 -0.170 0.000 1.272 43 L HN 0.788 nan 8.230 nan 0.000 0.421 44 H N 2.655 121.541 119.070 -0.308 0.000 2.587 44 H HA 0.510 5.066 4.556 0.001 0.000 0.325 44 H C -1.002 174.157 175.328 -0.281 0.000 1.012 44 H CA -0.400 55.544 56.048 -0.173 0.000 1.213 44 H CB 1.003 30.714 29.762 -0.085 0.000 1.431 44 H HN 0.195 nan 8.280 nan 0.000 0.492 45 F N 0.335 120.349 119.950 0.106 0.000 2.483 45 F HA 0.336 4.864 4.527 0.001 0.000 0.329 45 F C 0.827 176.672 175.800 0.075 0.000 1.064 45 F CA -0.896 57.158 58.000 0.089 0.000 0.986 45 F CB 1.178 40.225 39.000 0.079 0.000 1.218 45 F HN 0.383 nan 8.300 nan 0.000 0.484 46 E N 0.383 120.736 120.200 0.256 0.000 2.242 46 E HA 0.408 4.759 4.350 0.001 0.000 0.275 46 E C 0.891 177.570 176.600 0.131 0.000 1.002 46 E CA 0.563 57.056 56.400 0.155 0.000 0.841 46 E CB 1.532 31.297 29.700 0.108 0.000 1.109 46 E HN 0.753 nan 8.360 nan 0.000 0.394 47 G N 5.076 113.930 108.800 0.090 0.000 4.862 47 G HA2 -0.380 3.580 3.960 0.001 0.000 0.344 47 G HA3 -0.380 3.580 3.960 0.001 0.000 0.344 47 G C 0.561 175.490 174.900 0.049 0.000 1.365 47 G CA 0.916 46.051 45.100 0.059 0.000 1.066 47 G HN 0.586 nan 8.290 nan 0.000 0.808 48 R N 1.388 121.912 120.500 0.041 0.000 2.404 48 R HA 0.454 4.795 4.340 0.001 0.000 0.291 48 R C 0.745 177.021 176.300 -0.039 0.000 1.025 48 R CA -0.323 55.770 56.100 -0.011 0.000 0.991 48 R CB 0.516 30.788 30.300 -0.046 0.000 1.053 48 R HN 0.544 nan 8.270 nan 0.000 0.479 49 N N 1.376 120.021 118.700 -0.092 0.000 2.465 49 N HA -0.017 4.723 4.740 0.001 0.000 0.294 49 N C -1.092 174.194 175.510 -0.372 0.000 1.333 49 N CA -0.219 52.741 53.050 -0.151 0.000 0.932 49 N CB 0.172 38.625 38.487 -0.057 0.000 1.092 49 N HN 0.487 nan 8.380 nan 0.000 0.519 50 Y N 0.414 120.441 120.300 -0.456 0.000 2.308 50 Y HA 0.249 4.800 4.550 0.001 0.000 0.329 50 Y C -0.556 175.194 175.900 -0.250 0.000 1.111 50 Y CA -0.547 57.280 58.100 -0.454 0.000 1.179 50 Y CB 0.889 39.153 38.460 -0.327 0.000 1.201 50 Y HN 0.368 nan 8.280 nan 0.000 0.483 51 E N 4.537 124.216 120.200 -0.869 0.000 2.121 51 E HA 0.379 4.729 4.350 0.001 0.000 0.255 51 E C 0.399 176.394 176.600 -1.008 0.000 0.906 51 E CA 0.189 56.162 56.400 -0.713 0.000 0.745 51 E CB 1.000 30.458 29.700 -0.402 0.000 1.155 51 E HN 0.807 nan 8.360 nan 0.000 0.424 52 A N 2.623 124.868 122.820 -0.959 0.000 1.986 52 A HA -0.240 4.080 4.320 0.001 0.000 0.220 52 A C 1.921 179.314 177.584 -0.319 0.000 1.171 52 A CA 2.129 53.816 52.037 -0.583 0.000 0.640 52 A CB -0.387 18.499 19.000 -0.190 0.000 0.811 52 A HN 0.588 nan 8.150 nan 0.000 0.451 53 S N -0.776 114.756 115.700 -0.280 0.000 2.462 53 S HA -0.196 4.275 4.470 0.001 0.000 0.219 53 S C 1.865 176.369 174.600 -0.160 0.000 1.048 53 S CA 1.587 59.681 58.200 -0.177 0.000 1.119 53 S CB -1.114 61.992 63.200 -0.158 0.000 1.100 53 S HN 0.625 nan 8.310 nan 0.000 0.411 54 V N 2.345 122.151 119.914 -0.180 0.000 2.649 54 V HA 0.023 4.144 4.120 0.001 0.000 0.248 54 V C -0.393 175.602 176.094 -0.165 0.000 1.054 54 V CA 0.989 63.198 62.300 -0.151 0.000 1.073 54 V CB -0.556 31.180 31.823 -0.145 0.000 0.699 54 V HN 0.304 nan 8.190 nan 0.000 0.463 55 D N 1.240 121.503 120.400 -0.228 0.000 2.351 55 D HA 0.286 4.926 4.640 0.001 0.000 0.251 55 D C -0.226 176.060 176.300 -0.023 0.000 1.137 55 D CA 0.597 54.506 54.000 -0.152 0.000 0.879 55 D CB 1.407 42.074 40.800 -0.222 0.000 1.181 55 D HN 0.259 nan 8.370 nan 0.000 0.448 56 S N 2.806 118.516 115.700 0.016 0.000 2.389 56 S HA 0.352 4.823 4.470 0.001 0.000 0.201 56 S C -0.650 173.937 174.600 -0.021 0.000 1.422 56 S CA -0.907 57.308 58.200 0.025 0.000 1.216 56 S CB -0.381 62.807 63.200 -0.019 0.000 1.130 56 S HN 0.407 nan 8.310 nan 0.000 0.465 57 L N 2.817 124.015 121.223 -0.042 0.000 2.295 57 L HA 0.855 5.195 4.340 0.001 0.000 0.285 57 L C -0.181 176.473 176.870 -0.361 0.000 1.035 57 L CA -0.477 54.246 54.840 -0.194 0.000 0.806 57 L CB 1.422 43.355 42.059 -0.212 0.000 1.214 57 L HN 0.501 nan 8.230 nan 0.000 0.426 58 T N 1.762 116.108 114.554 -0.348 0.000 2.856 58 T HA 0.609 4.959 4.350 0.001 0.000 0.283 58 T C -0.533 173.903 174.700 -0.440 0.000 1.008 58 T CA -0.377 61.502 62.100 -0.368 0.000 0.997 58 T CB 1.007 69.766 68.868 -0.182 0.000 0.992 58 T HN 0.496 nan 8.240 nan 0.000 0.454 59 F N 2.019 121.774 119.950 -0.324 0.000 2.411 59 F HA 0.665 5.192 4.527 0.001 0.000 0.324 59 F C 0.932 176.306 175.800 -0.710 0.000 1.086 59 F CA -0.625 57.069 58.000 -0.511 0.000 1.028 59 F CB 1.967 40.574 39.000 -0.656 0.000 1.284 59 F HN 0.829 nan 8.300 nan 0.000 0.501 60 S N 0.213 115.757 115.700 -0.260 0.000 2.548 60 S HA 0.665 5.135 4.470 0.001 0.000 0.278 60 S C -1.341 173.228 174.600 -0.052 0.000 1.150 60 S CA -0.958 57.109 58.200 -0.221 0.000 0.907 60 S CB 1.132 64.265 63.200 -0.111 0.000 1.108 60 S HN 0.856 nan 8.310 nan 0.000 0.459 61 V N -0.323 119.581 119.914 -0.017 0.000 2.760 61 V HA 0.984 5.105 4.120 0.001 0.000 0.309 61 V C -0.255 175.857 176.094 0.028 0.000 1.077 61 V CA -0.621 61.735 62.300 0.095 0.000 0.910 61 V CB 0.925 32.931 31.823 0.305 0.000 1.008 61 V HN 1.745 nan 8.190 nan 0.000 0.424 62 V N 1.062 120.979 119.914 0.005 0.000 2.864 62 V HA 0.857 4.977 4.120 0.001 0.000 0.314 62 V C 0.198 176.121 176.094 -0.285 0.000 1.073 62 V CA 0.641 62.880 62.300 -0.102 0.000 0.956 62 V CB 1.549 33.328 31.823 -0.074 0.000 1.023 62 V HN 1.161 nan 8.190 nan 0.000 0.435 63 T N 1.979 116.283 114.554 -0.418 0.000 3.361 63 T HA 0.393 4.743 4.350 0.001 0.000 0.241 63 T C 1.087 175.626 174.700 -0.267 0.000 0.998 63 T CA 0.787 62.523 62.100 -0.607 0.000 1.215 63 T CB -0.397 67.754 68.868 -1.195 0.000 1.196 63 T HN 1.517 nan 8.240 nan 0.000 0.376 64 G N 2.450 111.147 108.800 -0.171 0.000 2.825 64 G HA2 0.228 4.188 3.960 0.001 0.000 0.241 64 G HA3 0.228 4.188 3.960 0.001 0.000 0.241 64 G C -1.250 173.634 174.900 -0.027 0.000 1.239 64 G CA -0.158 44.913 45.100 -0.049 0.000 0.859 64 G HN 0.412 nan 8.290 nan 0.000 0.598 65 P HA 0.108 nan 4.420 nan 0.000 0.237 65 P C 0.222 177.511 177.300 -0.019 0.000 1.178 65 P CA 1.187 64.302 63.100 0.025 0.000 0.766 65 P CB 0.545 32.296 31.700 0.086 0.000 0.876 66 A N 0.316 123.110 122.820 -0.043 0.000 3.216 66 A HA 0.560 4.881 4.320 0.001 0.000 0.321 66 A C -2.599 174.956 177.584 -0.049 0.000 1.042 66 A CA -1.443 50.565 52.037 -0.049 0.000 0.838 66 A CB -0.011 18.949 19.000 -0.066 0.000 1.136 66 A HN -0.025 nan 8.150 nan 0.000 0.483 67 P HA 0.225 nan 4.420 nan 0.000 0.273 67 P C 0.196 177.472 177.300 -0.040 0.000 1.248 67 P CA 0.417 63.484 63.100 -0.055 0.000 0.817 67 P CB 0.410 32.075 31.700 -0.057 0.000 0.995 68 S N -1.656 114.023 115.700 -0.035 0.000 2.709 68 S HA 0.113 4.583 4.470 0.001 0.000 0.305 68 S C 0.212 174.805 174.600 -0.012 0.000 0.974 68 S CA -0.528 57.660 58.200 -0.020 0.000 0.837 68 S CB 0.603 63.794 63.200 -0.015 0.000 1.032 68 S HN 0.356 nan 8.310 nan 0.000 0.461 69 Q N 2.486 122.282 119.800 -0.007 0.000 2.083 69 Q HA 0.095 4.435 4.340 0.001 0.000 0.198 69 Q C 1.688 177.703 176.000 0.024 0.000 0.969 69 Q CA 2.304 58.109 55.803 0.003 0.000 0.838 69 Q CB -0.111 28.632 28.738 0.008 0.000 0.900 69 Q HN 0.818 nan 8.270 nan 0.000 0.436 70 E N -1.116 119.096 120.200 0.020 0.000 2.158 70 E HA -0.031 4.319 4.350 0.001 0.000 0.191 70 E C 0.896 177.514 176.600 0.031 0.000 0.982 70 E CA 0.712 57.128 56.400 0.027 0.000 0.823 70 E CB -0.066 29.644 29.700 0.017 0.000 0.766 70 E HN 0.378 nan 8.360 nan 0.000 0.468 71 A N 0.409 123.242 122.820 0.022 0.000 2.327 71 A HA 0.295 4.615 4.320 0.001 0.000 0.228 71 A C 1.482 179.097 177.584 0.051 0.000 1.275 71 A CA 0.586 52.637 52.037 0.023 0.000 0.875 71 A CB -0.684 18.317 19.000 0.003 0.000 0.925 71 A HN 0.400 nan 8.150 nan 0.000 0.493 72 G N -0.132 108.713 108.800 0.075 0.000 2.296 72 G HA2 -0.336 3.625 3.960 0.001 0.000 0.282 72 G HA3 -0.336 3.625 3.960 0.001 0.000 0.282 72 G C 0.761 175.750 174.900 0.148 0.000 1.014 72 G CA 1.456 46.637 45.100 0.136 0.000 0.812 72 G HN 1.381 nan 8.290 nan 0.000 0.508 73 T N -3.819 110.776 114.554 0.067 0.000 3.084 73 T HA 0.539 4.890 4.350 0.001 0.000 0.270 73 T C 0.284 174.957 174.700 -0.044 0.000 1.008 73 T CA 0.708 62.821 62.100 0.021 0.000 0.900 73 T CB 0.722 69.579 68.868 -0.018 0.000 1.084 73 T HN 0.716 nan 8.240 nan 0.000 0.538 74 K N 0.250 120.624 120.400 -0.042 0.000 2.569 74 K HA 0.646 4.967 4.320 0.001 0.000 0.259 74 K C -2.298 174.217 176.600 -0.143 0.000 0.932 74 K CA -0.633 55.600 56.287 -0.090 0.000 0.833 74 K CB 1.957 34.418 32.500 -0.064 0.000 1.340 74 K HN 0.202 nan 8.250 nan 0.000 0.429 75 A N 3.450 126.140 122.820 -0.217 0.000 2.555 75 A HA 0.560 4.881 4.320 0.001 0.000 0.297 75 A C -1.680 175.855 177.584 -0.081 0.000 1.060 75 A CA -1.009 50.904 52.037 -0.207 0.000 0.710 75 A CB 1.182 19.858 19.000 -0.539 0.000 1.282 75 A HN 0.837 nan 8.150 nan 0.000 0.399 76 R N 0.502 121.004 120.500 0.002 0.000 2.711 76 R HA 0.928 5.269 4.340 0.001 0.000 0.284 76 R C -1.183 175.164 176.300 0.079 0.000 0.968 76 R CA -0.600 55.439 56.100 -0.101 0.000 0.924 76 R CB 1.339 31.587 30.300 -0.087 0.000 1.162 76 R HN 1.006 nan 8.270 nan 0.000 0.465 77 F N -2.014 118.011 119.950 0.125 0.000 2.641 77 F HA 0.598 5.125 4.527 0.001 0.000 0.308 77 F C -3.014 172.854 175.800 0.113 0.000 1.105 77 F CA -3.371 54.713 58.000 0.140 0.000 0.964 77 F CB 1.022 40.152 39.000 0.217 0.000 1.294 77 F HN 0.338 nan 8.300 nan 0.000 0.442 78 P HA 0.103 nan 4.420 nan 0.000 0.271 78 P C -0.981 176.400 177.300 0.134 0.000 1.233 78 P CA -0.424 62.736 63.100 0.099 0.000 0.789 78 P CB 0.685 32.443 31.700 0.095 0.000 0.951 79 L N 3.261 124.476 121.223 -0.014 0.000 2.276 79 L HA 0.445 4.786 4.340 0.001 0.000 0.286 79 L C -0.050 176.831 176.870 0.018 0.000 1.024 79 L CA -0.287 54.544 54.840 -0.015 0.000 0.826 79 L CB 0.121 42.021 42.059 -0.265 0.000 1.211 79 L HN 0.562 nan 8.230 nan 0.000 0.422 80 R N 3.024 123.561 120.500 0.061 0.000 3.212 80 R HA 0.663 5.004 4.340 0.001 0.000 0.240 80 R C -0.951 175.375 176.300 0.043 0.000 1.470 80 R CA -0.576 55.554 56.100 0.051 0.000 1.041 80 R CB 0.626 30.960 30.300 0.056 0.000 1.494 80 R HN 0.416 nan 8.270 nan 0.000 0.502 81 D N -1.446 118.976 120.400 0.037 0.000 2.651 81 D HA 0.300 4.940 4.640 0.001 0.000 0.280 81 D C 0.279 176.592 176.300 0.021 0.000 1.496 81 D CA -0.298 53.718 54.000 0.026 0.000 0.792 81 D CB 0.791 41.606 40.800 0.025 0.000 1.144 81 D HN 0.502 nan 8.370 nan 0.000 0.470 82 A N -0.073 122.763 122.820 0.025 0.000 3.280 82 A HA 0.789 5.110 4.320 0.001 0.000 0.203 82 A C 0.446 178.040 177.584 0.016 0.000 2.143 82 A CA 0.524 52.573 52.037 0.020 0.000 1.168 82 A CB 0.332 19.347 19.000 0.025 0.000 1.267 82 A HN 0.410 nan 8.150 nan 0.000 0.436 87 D N -0.216 120.185 120.400 0.001 0.000 4.313 87 D HA -0.219 4.422 4.640 0.001 0.000 0.292 87 D C 0.184 176.356 176.300 -0.214 0.000 1.456 87 D CA 2.220 56.163 54.000 -0.095 0.000 1.766 87 D CB -0.630 40.107 40.800 -0.106 0.000 1.014 87 D HN 0.489 nan 8.370 nan 0.000 0.771 88 W N 2.040 123.236 121.300 -0.173 0.000 2.430 88 W HA 0.312 4.972 4.660 0.001 0.000 0.380 88 W C 1.059 177.161 176.519 -0.695 0.000 1.045 88 W CA -0.020 57.057 57.345 -0.447 0.000 1.547 88 W CB 0.391 29.664 29.460 -0.311 0.000 1.554 88 W HN -0.037 nan 8.180 nan 0.000 0.378 89 T N 0.646 114.922 114.554 -0.463 0.000 2.938 89 T HA 0.911 5.262 4.350 0.001 0.000 0.285 89 T C -0.552 174.014 174.700 -0.223 0.000 1.028 89 T CA -0.900 61.044 62.100 -0.260 0.000 1.005 89 T CB 2.015 70.812 68.868 -0.119 0.000 1.157 89 T HN 0.470 nan 8.240 nan 0.000 0.550 90 A N 1.543 124.434 122.820 0.118 0.000 2.512 90 A HA 0.685 5.005 4.320 0.001 0.000 0.294 90 A C -0.196 177.509 177.584 0.203 0.000 1.054 90 A CA -0.431 51.767 52.037 0.267 0.000 0.756 90 A CB 0.915 20.415 19.000 0.833 0.000 1.293 90 A HN 1.544 nan 8.150 nan 0.000 0.395 91 T N -1.441 113.173 114.554 0.099 0.000 2.900 91 T HA 0.664 5.014 4.350 0.001 0.000 0.303 91 T C -0.707 174.006 174.700 0.022 0.000 1.142 91 T CA -0.437 61.697 62.100 0.057 0.000 1.007 91 T CB 1.285 70.166 68.868 0.022 0.000 1.156 91 T HN 1.894 nan 8.240 nan 0.000 0.490 92 V N 3.358 123.275 119.914 0.005 0.000 2.427 92 V HA 0.437 4.558 4.120 0.001 0.000 0.268 92 V C 0.858 176.929 176.094 -0.038 0.000 1.046 92 V CA 0.108 62.393 62.300 -0.026 0.000 0.970 92 V CB 0.648 32.459 31.823 -0.020 0.000 1.001 92 V HN 0.921 nan 8.190 nan 0.000 0.476 93 V N 5.699 125.566 119.914 -0.079 0.000 3.471 93 V HA 0.343 4.463 4.120 0.001 0.000 0.258 93 V C 0.459 176.494 176.094 -0.098 0.000 1.192 93 V CA 1.538 63.786 62.300 -0.087 0.000 1.116 93 V CB -0.107 31.640 31.823 -0.128 0.000 0.792 93 V HN 1.081 nan 8.190 nan 0.000 0.459 94 D N -0.937 119.397 120.400 -0.110 0.000 2.804 94 D HA 0.265 4.905 4.640 0.001 0.000 0.309 94 D C -1.685 174.565 176.300 -0.083 0.000 1.311 94 D CA -0.270 53.672 54.000 -0.096 0.000 0.765 94 D CB 1.122 41.839 40.800 -0.137 0.000 1.293 94 D HN 0.161 nan 8.370 nan 0.000 0.434 95 Q N 1.210 120.973 119.800 -0.061 0.000 2.825 95 Q HA 0.283 4.623 4.340 0.001 0.000 0.219 95 Q C -2.298 173.687 176.000 -0.025 0.000 0.942 95 Q CA -0.561 55.221 55.803 -0.035 0.000 1.147 95 Q CB 0.867 29.613 28.738 0.014 0.000 1.723 95 Q HN 0.540 nan 8.270 nan 0.000 0.541 96 Q N 3.538 123.319 119.800 -0.031 0.000 2.426 96 Q HA 0.384 4.725 4.340 0.001 0.000 0.278 96 Q C -0.621 175.371 176.000 -0.014 0.000 1.007 96 Q CA 0.537 56.327 55.803 -0.021 0.000 0.850 96 Q CB 2.120 30.843 28.738 -0.026 0.000 1.427 96 Q HN 0.766 nan 8.270 nan 0.000 0.391 97 D N 1.044 121.443 120.400 -0.002 0.000 4.493 97 D HA -0.269 4.372 4.640 0.001 0.000 0.184 97 D C 0.054 176.371 176.300 0.028 0.000 0.799 97 D CA 2.881 56.888 54.000 0.011 0.000 1.795 97 D CB -1.390 39.417 40.800 0.011 0.000 1.062 97 D HN 0.751 nan 8.370 nan 0.000 0.445 98 C N -0.717 118.610 119.300 0.044 0.000 4.403 98 C HA 0.385 4.845 4.460 0.001 0.000 0.408 98 C C 0.458 175.548 174.990 0.167 0.000 1.714 98 C CA 0.396 59.482 59.018 0.114 0.000 2.002 98 C CB -0.735 27.088 27.740 0.139 0.000 3.129 98 C HN 0.776 nan 8.230 nan 0.000 0.662 99 T N 0.031 114.581 114.554 -0.007 0.000 2.868 99 T HA 0.537 4.887 4.350 0.001 0.000 0.292 99 T C -0.764 173.925 174.700 -0.018 0.000 1.028 99 T CA 0.034 62.030 62.100 -0.174 0.000 1.059 99 T CB 1.541 70.155 68.868 -0.423 0.000 0.991 99 T HN 0.234 nan 8.240 nan 0.000 0.531 100 L N 2.484 123.698 121.223 -0.015 0.000 2.563 100 L HA 0.441 4.781 4.340 0.001 0.000 0.259 100 L C -0.099 176.738 176.870 -0.055 0.000 1.034 100 L CA -0.385 54.479 54.840 0.040 0.000 0.899 100 L CB 1.375 43.583 42.059 0.249 0.000 1.159 100 L HN 0.957 nan 8.230 nan 0.000 0.456 101 S N 4.624 120.232 115.700 -0.154 0.000 2.499 101 S HA 0.757 5.227 4.470 0.001 0.000 0.275 101 S C -0.080 174.400 174.600 -0.200 0.000 1.257 101 S CA -0.683 57.373 58.200 -0.240 0.000 1.050 101 S CB 1.050 63.975 63.200 -0.458 0.000 0.937 101 S HN 0.459 nan 8.310 nan 0.000 0.490 102 L N 1.828 122.957 121.223 -0.157 0.000 2.391 102 L HA 0.649 4.989 4.340 0.001 0.000 0.266 102 L C 0.274 177.052 176.870 -0.152 0.000 1.035 102 L CA -0.689 54.088 54.840 -0.104 0.000 0.877 102 L CB 0.182 42.245 42.059 0.005 0.000 1.504 102 L HN 0.790 nan 8.230 nan 0.000 0.503 103 Q N 0.663 120.386 119.800 -0.129 0.000 2.406 103 Q HA 0.441 4.782 4.340 0.001 0.000 0.244 103 Q C -1.713 174.133 176.000 -0.256 0.000 0.884 103 Q CA -0.565 55.135 55.803 -0.172 0.000 0.813 103 Q CB 2.409 31.107 28.738 -0.066 0.000 1.368 103 Q HN 0.233 nan 8.270 nan 0.000 0.439 104 L N 1.202 122.093 121.223 -0.553 0.000 2.360 104 L HA 0.608 4.949 4.340 0.001 0.000 0.271 104 L C 0.283 176.829 176.870 -0.539 0.000 1.057 104 L CA 0.116 54.611 54.840 -0.576 0.000 0.803 104 L CB 1.808 43.396 42.059 -0.784 0.000 1.207 104 L HN 0.417 nan 8.230 nan 0.000 0.445 105 T N 0.522 114.842 114.554 -0.391 0.000 2.881 105 T HA 0.589 4.940 4.350 0.001 0.000 0.290 105 T C -0.384 174.017 174.700 -0.498 0.000 1.000 105 T CA -0.684 61.223 62.100 -0.322 0.000 0.978 105 T CB 1.422 70.143 68.868 -0.244 0.000 0.997 105 T HN 0.682 nan 8.240 nan 0.000 0.443 106 T N 2.776 117.026 114.554 -0.507 0.000 2.944 106 T HA 0.663 5.013 4.350 0.001 0.000 0.284 106 T C -2.695 171.605 174.700 -0.667 0.000 1.010 106 T CA -2.243 59.297 62.100 -0.933 0.000 1.025 106 T CB 1.227 69.659 68.868 -0.727 0.000 1.079 106 T HN 0.172 nan 8.240 nan 0.000 0.516 107 P HA 0.392 nan 4.420 nan 0.000 0.274 107 P C -0.268 176.916 177.300 -0.192 0.000 1.256 107 P CA -0.583 62.304 63.100 -0.355 0.000 0.795 107 P CB 0.304 31.857 31.700 -0.245 0.000 1.038 108 A N 1.655 124.421 122.820 -0.090 0.000 2.532 108 A HA 0.106 4.427 4.320 0.001 0.000 0.273 108 A C 0.586 178.192 177.584 0.037 0.000 1.342 108 A CA 0.158 52.182 52.037 -0.021 0.000 0.929 108 A CB -1.199 17.793 19.000 -0.013 0.000 1.051 108 A HN 0.653 nan 8.150 nan 0.000 0.521 109 N N -1.424 117.295 118.700 0.032 0.000 2.162 109 N HA 0.150 4.890 4.740 0.001 0.000 0.232 109 N C -0.012 175.564 175.510 0.110 0.000 1.361 109 N CA 0.458 53.563 53.050 0.091 0.000 0.786 109 N CB -0.595 37.946 38.487 0.091 0.000 1.290 109 N HN 0.168 nan 8.380 nan 0.000 0.505 110 A N 1.705 124.572 122.820 0.077 0.000 2.511 110 A HA 0.470 4.790 4.320 0.001 0.000 0.242 110 A C -2.343 175.358 177.584 0.195 0.000 1.069 110 A CA -0.570 51.585 52.037 0.196 0.000 0.763 110 A CB -0.273 18.781 19.000 0.091 0.000 1.001 110 A HN 0.139 nan 8.150 nan 0.000 0.498 111 P HA 0.194 nan 4.420 nan 0.000 0.269 111 P C -0.207 177.237 177.300 0.240 0.000 1.209 111 P CA 0.061 63.290 63.100 0.215 0.000 0.776 111 P CB 0.423 32.262 31.700 0.231 0.000 0.876 112 I N -0.665 119.934 120.570 0.047 0.000 2.499 112 I HA 0.854 5.025 4.170 0.001 0.000 0.296 112 I C 0.605 176.822 176.117 0.166 0.000 0.992 112 I CA -0.286 61.042 61.300 0.048 0.000 1.297 112 I CB 1.019 38.866 38.000 -0.255 0.000 1.410 112 I HN 0.548 nan 8.210 nan 0.000 0.507 113 G N 4.386 113.324 108.800 0.230 0.000 2.350 113 G HA2 0.156 4.117 3.960 0.001 0.000 0.276 113 G HA3 0.156 4.117 3.960 0.001 0.000 0.276 113 G C -1.886 173.124 174.900 0.184 0.000 1.313 113 G CA -1.020 44.169 45.100 0.149 0.000 0.903 113 G HN 0.740 nan 8.290 nan 0.000 0.490 114 L N 0.479 121.724 121.223 0.035 0.000 2.305 114 L HA 0.679 5.020 4.340 0.001 0.000 0.281 114 L C -0.849 175.939 176.870 -0.136 0.000 1.085 114 L CA -0.773 54.063 54.840 -0.008 0.000 0.813 114 L CB 0.715 42.738 42.059 -0.061 0.000 1.157 114 L HN 0.574 nan 8.230 nan 0.000 0.436 115 Y N 3.660 123.710 120.300 -0.417 0.000 2.468 115 Y HA 0.452 5.002 4.550 0.001 0.000 0.342 115 Y C 0.009 175.683 175.900 -0.376 0.000 1.021 115 Y CA -0.718 57.063 58.100 -0.533 0.000 1.079 115 Y CB 1.588 39.391 38.460 -1.095 0.000 1.226 115 Y HN 0.447 nan 8.280 nan 0.000 0.460 116 R N 3.316 123.795 120.500 -0.035 0.000 2.265 116 R HA 0.448 4.788 4.340 0.001 0.000 0.328 116 R C -1.719 174.566 176.300 -0.025 0.000 0.969 116 R CA -0.897 55.184 56.100 -0.031 0.000 0.832 116 R CB 0.583 30.909 30.300 0.042 0.000 1.139 116 R HN 0.686 nan 8.270 nan 0.000 0.457 117 L N 3.972 125.174 121.223 -0.035 0.000 2.261 117 L HA 0.326 4.667 4.340 0.001 0.000 0.289 117 L C -0.992 175.913 176.870 0.058 0.000 1.059 117 L CA 0.337 55.242 54.840 0.107 0.000 0.816 117 L CB 1.430 43.624 42.059 0.224 0.000 1.191 117 L HN 0.547 nan 8.230 nan 0.000 0.431 118 S N 5.541 121.294 115.700 0.088 0.000 2.593 118 S HA 0.659 5.129 4.470 0.001 0.000 0.297 118 S C -0.708 174.024 174.600 0.220 0.000 1.112 118 S CA -0.698 57.575 58.200 0.122 0.000 1.043 118 S CB 1.798 65.040 63.200 0.069 0.000 1.054 118 S HN 0.649 nan 8.310 nan 0.000 0.516 119 L N 1.984 123.373 121.223 0.277 0.000 2.381 119 L HA 0.464 4.805 4.340 0.001 0.000 0.274 119 L C -1.003 175.906 176.870 0.065 0.000 0.988 119 L CA -0.466 54.551 54.840 0.296 0.000 0.824 119 L CB 1.302 43.638 42.059 0.462 0.000 1.263 119 L HN 0.588 nan 8.230 nan 0.000 0.410 120 E N 4.903 125.067 120.200 -0.060 0.000 2.035 120 E HA 0.370 4.721 4.350 0.001 0.000 0.271 120 E C -0.603 175.905 176.600 -0.154 0.000 0.953 120 E CA -0.322 56.000 56.400 -0.130 0.000 0.777 120 E CB 1.810 31.437 29.700 -0.123 0.000 1.104 120 E HN 0.569 nan 8.360 nan 0.000 0.408 121 A N 2.228 124.937 122.820 -0.184 0.000 2.260 121 A HA 0.477 4.797 4.320 0.001 0.000 0.314 121 A C -0.017 177.489 177.584 -0.129 0.000 1.257 121 A CA -0.625 51.332 52.037 -0.133 0.000 0.871 121 A CB 0.680 19.611 19.000 -0.113 0.000 1.166 121 A HN 0.347 nan 8.150 nan 0.000 0.522 122 S N 1.838 117.479 115.700 -0.098 0.000 2.252 122 S HA 0.152 4.622 4.470 0.001 0.000 0.187 122 S C 0.624 175.147 174.600 -0.128 0.000 1.587 122 S CA -0.134 58.001 58.200 -0.109 0.000 1.215 122 S CB 0.817 63.968 63.200 -0.082 0.000 1.085 122 S HN 0.817 nan 8.310 nan 0.000 0.466 123 T N 1.919 116.378 114.554 -0.158 0.000 3.584 123 T HA 0.355 4.706 4.350 0.001 0.000 0.252 123 T C 1.240 175.761 174.700 -0.299 0.000 1.103 123 T CA 1.184 63.173 62.100 -0.184 0.000 0.977 123 T CB -0.727 68.046 68.868 -0.158 0.000 1.044 123 T HN 0.857 nan 8.240 nan 0.000 0.589 124 G N 0.551 109.156 108.800 -0.325 0.000 3.400 124 G HA2 -0.033 3.927 3.960 0.001 0.000 0.111 124 G HA3 -0.033 3.927 3.960 0.001 0.000 0.111 124 G C 0.294 175.007 174.900 -0.311 0.000 2.370 124 G CA 0.214 45.040 45.100 -0.457 0.000 1.153 124 G HN 0.541 nan 8.290 nan 0.000 0.329 125 Y N 0.123 120.404 120.300 -0.033 0.000 2.472 125 Y HA 0.445 4.996 4.550 0.001 0.000 0.283 125 Y C 2.151 178.031 175.900 -0.034 0.000 1.038 125 Y CA 0.626 58.708 58.100 -0.031 0.000 1.126 125 Y CB -0.125 38.320 38.460 -0.026 0.000 1.374 125 Y HN 0.369 nan 8.280 nan 0.000 0.576 126 Q N 2.156 121.921 119.800 -0.058 0.000 2.178 126 Q HA 0.549 4.890 4.340 0.001 0.000 0.197 126 Q C 1.479 177.429 176.000 -0.083 0.000 0.998 126 Q CA 0.518 56.317 55.803 -0.006 0.000 0.845 126 Q CB -0.760 27.986 28.738 0.013 0.000 0.943 126 Q HN 0.428 nan 8.270 nan 0.000 0.514 127 G N 0.444 109.168 108.800 -0.126 0.000 2.806 127 G HA2 -0.103 3.858 3.960 0.001 0.000 0.236 127 G HA3 -0.103 3.858 3.960 0.001 0.000 0.236 127 G C -0.414 174.400 174.900 -0.144 0.000 1.387 127 G CA -0.016 45.006 45.100 -0.130 0.000 0.884 127 G HN 0.977 nan 8.290 nan 0.000 0.560 128 S N -1.230 114.331 115.700 -0.232 0.000 2.547 128 S HA 0.782 5.253 4.470 0.001 0.000 0.281 128 S C -0.566 173.618 174.600 -0.693 0.000 1.118 128 S CA -0.114 57.852 58.200 -0.391 0.000 0.947 128 S CB 2.254 65.232 63.200 -0.369 0.000 1.053 128 S HN 1.364 nan 8.310 nan 0.000 0.482 129 S N 2.838 118.203 115.700 -0.559 0.000 2.456 129 S HA 0.848 5.319 4.470 0.001 0.000 0.316 129 S C -0.598 173.813 174.600 -0.315 0.000 1.089 129 S CA -0.812 57.114 58.200 -0.457 0.000 1.101 129 S CB -0.107 62.979 63.200 -0.190 0.000 0.995 129 S HN 0.759 nan 8.310 nan 0.000 0.468 130 F N -0.381 119.580 119.950 0.018 0.000 2.779 130 F HA 0.725 5.252 4.527 0.001 0.000 0.316 130 F C -0.341 175.465 175.800 0.011 0.000 1.164 130 F CA -1.870 56.138 58.000 0.013 0.000 0.924 130 F CB 0.682 39.690 39.000 0.014 0.000 1.348 130 F HN 0.366 nan 8.300 nan 0.000 0.467 131 V N 0.556 120.615 119.914 0.242 0.000 2.881 131 V HA 0.337 4.457 4.120 0.001 0.000 0.303 131 V C -0.154 175.924 176.094 -0.028 0.000 1.070 131 V CA -0.346 61.993 62.300 0.065 0.000 1.074 131 V CB 1.335 33.136 31.823 -0.036 0.000 1.012 131 V HN 0.952 nan 8.190 nan 0.000 0.482 132 L N 2.485 123.685 121.223 -0.039 0.000 2.685 132 L HA 0.689 5.030 4.340 0.001 0.000 0.235 132 L C 1.112 177.935 176.870 -0.079 0.000 1.070 132 L CA 0.767 55.571 54.840 -0.059 0.000 0.888 132 L CB 0.469 42.538 42.059 0.017 0.000 1.203 132 L HN 1.145 nan 8.230 nan 0.000 0.499 133 G N -1.406 107.310 108.800 -0.140 0.000 2.352 133 G HA2 0.156 4.117 3.960 0.001 0.000 0.283 133 G HA3 0.156 4.117 3.960 0.001 0.000 0.283 133 G C -1.720 172.983 174.900 -0.327 0.000 1.308 133 G CA -0.816 44.185 45.100 -0.165 0.000 0.892 133 G HN -0.040 nan 8.290 nan 0.000 0.504 134 H N -1.012 118.094 119.070 0.061 0.000 2.797 134 H HA 0.776 5.333 4.556 0.001 0.000 0.372 134 H C -0.925 174.460 175.328 0.096 0.000 1.168 134 H CA -0.055 55.996 56.048 0.006 0.000 1.163 134 H CB 2.173 31.917 29.762 -0.030 0.000 1.778 134 H HN 0.838 nan 8.280 nan 0.000 0.551 135 F N -0.672 119.392 119.950 0.191 0.000 2.654 135 F HA 0.589 5.116 4.527 0.001 0.000 0.308 135 F C -1.757 174.098 175.800 0.092 0.000 1.108 135 F CA -1.214 56.819 58.000 0.055 0.000 0.957 135 F CB 0.869 39.818 39.000 -0.084 0.000 1.309 135 F HN 0.267 nan 8.300 nan 0.000 0.446 136 I N 3.529 124.287 120.570 0.314 0.000 2.339 136 I HA 0.374 4.545 4.170 0.001 0.000 0.290 136 I C -1.185 175.093 176.117 0.268 0.000 0.994 136 I CA -0.914 60.535 61.300 0.249 0.000 1.191 136 I CB 1.707 39.786 38.000 0.131 0.000 1.343 136 I HN 0.545 nan 8.210 nan 0.000 0.458 137 L N 8.209 129.621 121.223 0.315 0.000 2.272 137 L HA 0.549 4.890 4.340 0.001 0.000 0.289 137 L C -0.661 176.261 176.870 0.085 0.000 1.032 137 L CA 0.028 54.968 54.840 0.166 0.000 0.810 137 L CB 0.864 43.023 42.059 0.168 0.000 1.205 137 L HN 0.440 nan 8.230 nan 0.000 0.422 138 L N 3.573 124.830 121.223 0.057 0.000 2.304 138 L HA 0.517 4.858 4.340 0.001 0.000 0.268 138 L C -0.567 176.343 176.870 0.067 0.000 1.010 138 L CA -0.934 53.943 54.840 0.061 0.000 0.813 138 L CB 1.139 43.296 42.059 0.165 0.000 1.315 138 L HN 0.293 nan 8.230 nan 0.000 0.445 139 F N 1.038 121.091 119.950 0.171 0.000 2.578 139 F HA 0.040 4.567 4.527 0.001 0.000 0.376 139 F C 0.838 176.757 175.800 0.199 0.000 1.085 139 F CA 0.283 58.379 58.000 0.161 0.000 1.260 139 F CB 0.017 39.101 39.000 0.140 0.000 1.095 139 F HN 0.366 nan 8.300 nan 0.000 0.573 140 N N 2.397 121.327 118.700 0.383 0.000 2.437 140 N HA 0.369 5.109 4.740 0.001 0.000 0.259 140 N C 0.146 175.858 175.510 0.336 0.000 0.983 140 N CA -0.082 53.197 53.050 0.382 0.000 0.937 140 N CB 1.610 40.267 38.487 0.282 0.000 1.122 140 N HN 0.676 nan 8.380 nan 0.000 0.499 141 A N 3.898 126.868 122.820 0.250 0.000 2.238 141 A HA 0.097 4.418 4.320 0.001 0.000 0.210 141 A C 1.133 178.623 177.584 -0.156 0.000 1.179 141 A CA -0.039 51.942 52.037 -0.093 0.000 0.827 141 A CB -0.203 18.515 19.000 -0.470 0.000 0.856 141 A HN 0.780 nan 8.150 nan 0.000 0.488 142 W N -1.754 119.604 121.300 0.096 0.000 3.211 142 W HA 0.198 4.859 4.660 0.001 0.000 0.292 142 W C 0.392 177.055 176.519 0.238 0.000 1.268 142 W CA -0.566 56.852 57.345 0.122 0.000 1.702 142 W CB -0.174 29.257 29.460 -0.047 0.000 1.092 142 W HN 0.260 nan 8.180 nan 0.000 0.643 143 C N 3.028 122.561 119.300 0.388 0.000 2.265 143 C HA 0.259 4.720 4.460 0.001 0.000 0.332 143 C C -0.773 174.162 174.990 -0.092 0.000 1.248 143 C CA -1.980 57.118 59.018 0.133 0.000 1.727 143 C CB 0.428 28.227 27.740 0.098 0.000 2.348 143 C HN -0.080 nan 8.230 nan 0.000 0.519 144 P HA -0.080 nan 4.420 nan 0.000 0.219 144 P C 1.179 178.230 177.300 -0.415 0.000 1.146 144 P CA 1.637 64.056 63.100 -1.136 0.000 0.808 144 P CB 0.144 31.322 31.700 -0.870 0.000 0.779 145 A N -1.417 121.280 122.820 -0.204 0.000 2.123 145 A HA -0.047 4.273 4.320 0.001 0.000 0.214 145 A C 1.280 178.855 177.584 -0.015 0.000 1.152 145 A CA 0.438 52.420 52.037 -0.091 0.000 0.728 145 A CB -0.782 18.175 19.000 -0.071 0.000 0.814 145 A HN 0.090 nan 8.150 nan 0.000 0.464 146 D N -0.586 119.834 120.400 0.033 0.000 2.339 146 D HA 0.427 5.068 4.640 0.001 0.000 0.245 146 D C 1.119 177.489 176.300 0.117 0.000 1.115 146 D CA 0.561 54.630 54.000 0.115 0.000 0.917 146 D CB 1.473 42.386 40.800 0.188 0.000 1.192 146 D HN 0.068 nan 8.370 nan 0.000 0.428 147 A N 2.230 125.116 122.820 0.110 0.000 2.209 147 A HA -0.024 4.297 4.320 0.001 0.000 0.212 147 A C 1.588 179.157 177.584 -0.024 0.000 1.158 147 A CA 1.026 53.083 52.037 0.034 0.000 0.742 147 A CB -0.260 18.758 19.000 0.030 0.000 0.790 147 A HN 0.455 nan 8.150 nan 0.000 0.472 148 V N -4.649 115.296 119.914 0.051 0.000 3.427 148 V HA 0.291 4.411 4.120 0.001 0.000 0.305 148 V C 0.552 176.750 176.094 0.173 0.000 1.412 148 V CA -0.832 61.486 62.300 0.031 0.000 1.086 148 V CB -1.603 30.212 31.823 -0.015 0.000 0.964 148 V HN 0.325 nan 8.190 nan 0.000 0.439 149 Y N 1.816 122.151 120.300 0.059 0.000 2.903 149 Y HA 0.342 4.892 4.550 0.001 0.000 0.338 149 Y C -0.162 175.831 175.900 0.156 0.000 1.265 149 Y CA 0.009 58.145 58.100 0.061 0.000 1.532 149 Y CB 0.283 38.770 38.460 0.046 0.000 1.293 149 Y HN 0.312 nan 8.280 nan 0.000 0.609 150 L N 6.494 127.203 121.223 -0.856 0.000 2.409 150 L HA 0.208 4.549 4.340 0.001 0.000 0.272 150 L C 0.337 176.502 176.870 -1.175 0.000 0.980 150 L CA -0.613 53.713 54.840 -0.856 0.000 0.826 150 L CB 2.001 43.620 42.059 -0.734 0.000 1.268 150 L HN 0.827 nan 8.230 nan 0.000 0.407 151 D N 0.286 120.200 120.400 -0.809 0.000 2.085 151 D HA -0.131 4.510 4.640 0.001 0.000 0.199 151 D C 1.001 177.122 176.300 -0.297 0.000 0.981 151 D CA 0.401 54.129 54.000 -0.453 0.000 0.834 151 D CB 0.054 40.751 40.800 -0.171 0.000 0.992 151 D HN 0.278 nan 8.370 nan 0.000 0.457 152 S N 0.033 115.562 115.700 -0.285 0.000 2.481 152 S HA 0.031 4.502 4.470 0.001 0.000 0.282 152 S C 0.992 175.458 174.600 -0.224 0.000 1.243 152 S CA -0.412 57.664 58.200 -0.205 0.000 1.078 152 S CB 0.714 63.803 63.200 -0.185 0.000 0.916 152 S HN 0.269 nan 8.310 nan 0.000 0.495 153 E N 4.585 124.706 120.200 -0.131 0.000 2.058 153 E HA -0.239 4.111 4.350 0.001 0.000 0.194 153 E C 1.741 178.280 176.600 -0.102 0.000 0.997 153 E CA 2.454 58.804 56.400 -0.083 0.000 0.801 153 E CB -0.257 29.457 29.700 0.024 0.000 0.746 153 E HN 0.930 nan 8.360 nan 0.000 0.450 154 E N 0.224 120.364 120.200 -0.099 0.000 2.153 154 E HA -0.216 4.135 4.350 0.001 0.000 0.194 154 E C 2.009 178.482 176.600 -0.212 0.000 0.988 154 E CA 1.301 57.629 56.400 -0.119 0.000 0.811 154 E CB -0.356 29.283 29.700 -0.103 0.000 0.746 154 E HN 0.416 nan 8.360 nan 0.000 0.466 155 E N 0.961 121.017 120.200 -0.240 0.000 2.106 155 E HA -0.110 4.240 4.350 0.001 0.000 0.192 155 E C 2.216 178.637 176.600 -0.298 0.000 0.984 155 E CA 0.622 56.843 56.400 -0.299 0.000 0.806 155 E CB -0.044 29.540 29.700 -0.193 0.000 0.750 155 E HN 0.263 nan 8.360 nan 0.000 0.458 156 R N 0.570 120.866 120.500 -0.341 0.000 2.081 156 R HA -0.170 4.170 4.340 0.001 0.000 0.235 156 R C 2.380 178.528 176.300 -0.253 0.000 1.131 156 R CA 1.263 57.083 56.100 -0.467 0.000 0.960 156 R CB -0.173 29.623 30.300 -0.841 0.000 0.856 156 R HN 0.045 nan 8.270 nan 0.000 0.436 157 Q N 0.749 120.469 119.800 -0.132 0.000 1.993 157 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 157 Q C 1.933 177.868 176.000 -0.108 0.000 0.984 157 Q CA 1.879 57.673 55.803 -0.016 0.000 0.837 157 Q CB -0.140 28.596 28.738 -0.003 0.000 0.902 157 Q HN 0.125 nan 8.270 nan 0.000 0.423 158 E N -0.883 119.151 120.200 -0.277 0.000 2.038 158 E HA -0.198 4.152 4.350 0.001 0.000 0.195 158 E C 1.366 177.751 176.600 -0.359 0.000 1.000 158 E CA 1.662 57.813 56.400 -0.415 0.000 0.803 158 E CB -0.363 28.893 29.700 -0.740 0.000 0.750 158 E HN 0.515 nan 8.360 nan 0.000 0.448 159 Y N -1.146 119.094 120.300 -0.099 0.000 2.546 159 Y HA 0.163 4.714 4.550 0.001 0.000 0.287 159 Y C 1.756 177.598 175.900 -0.097 0.000 1.158 159 Y CA 0.238 58.283 58.100 -0.091 0.000 1.307 159 Y CB 0.357 38.803 38.460 -0.024 0.000 1.036 159 Y HN -0.031 nan 8.280 nan 0.000 0.532 160 V N -1.888 118.049 119.914 0.038 0.000 3.103 160 V HA -0.000 4.120 4.120 0.001 0.000 0.229 160 V C 1.693 177.879 176.094 0.154 0.000 1.304 160 V CA 0.391 62.745 62.300 0.091 0.000 1.298 160 V CB 0.046 31.923 31.823 0.090 0.000 1.093 160 V HN 0.123 nan 8.190 nan 0.000 0.489 161 L N -0.097 121.249 121.223 0.206 0.000 2.249 161 L HA 0.107 4.448 4.340 0.001 0.000 0.207 161 L C 0.995 177.903 176.870 0.063 0.000 1.090 161 L CA 0.655 55.672 54.840 0.296 0.000 0.802 161 L CB -0.369 41.933 42.059 0.405 0.000 0.947 161 L HN 0.262 nan 8.230 nan 0.000 0.453 162 T N 1.124 115.672 114.554 -0.009 0.000 2.871 162 T HA -0.036 4.315 4.350 0.001 0.000 0.296 162 T C 1.054 175.720 174.700 -0.056 0.000 0.998 162 T CA 0.301 62.379 62.100 -0.037 0.000 1.162 162 T CB 0.954 69.776 68.868 -0.076 0.000 0.947 162 T HN 0.277 nan 8.240 nan 0.000 0.536 163 Q N 1.255 121.050 119.800 -0.010 0.000 2.391 163 Q HA 0.058 4.398 4.340 0.001 0.000 0.211 163 Q C 0.579 176.683 176.000 0.172 0.000 0.908 163 Q CA 0.361 56.183 55.803 0.031 0.000 0.920 163 Q CB 0.410 29.140 28.738 -0.014 0.000 1.056 163 Q HN 0.609 nan 8.270 nan 0.000 0.523 164 Q N -0.099 119.761 119.800 0.100 0.000 2.195 164 Q HA 0.696 5.037 4.340 0.001 0.000 0.250 164 Q C 0.092 176.107 176.000 0.025 0.000 0.988 164 Q CA -0.353 55.456 55.803 0.010 0.000 0.911 164 Q CB 1.845 30.537 28.738 -0.076 0.000 1.258 164 Q HN 0.152 nan 8.270 nan 0.000 0.475 165 G N -0.452 108.248 108.800 -0.166 0.000 2.430 165 G HA2 0.571 4.531 3.960 0.001 0.000 0.300 165 G HA3 0.571 4.531 3.960 0.001 0.000 0.300 165 G C -1.811 172.904 174.900 -0.309 0.000 1.330 165 G CA -0.799 44.194 45.100 -0.177 0.000 0.813 165 G HN 0.332 nan 8.290 nan 0.000 0.487 166 F N -0.365 119.523 119.950 -0.105 0.000 2.546 166 F HA 0.723 5.251 4.527 0.001 0.000 0.320 166 F C 0.106 175.697 175.800 -0.349 0.000 1.076 166 F CA -0.999 56.796 58.000 -0.342 0.000 0.928 166 F CB 2.644 41.337 39.000 -0.511 0.000 1.189 166 F HN 0.081 nan 8.300 nan 0.000 0.465 167 I N 2.491 122.884 120.570 -0.295 0.000 2.447 167 I HA 0.240 4.410 4.170 0.001 0.000 0.287 167 I C -1.325 174.419 176.117 -0.622 0.000 1.023 167 I CA -0.813 60.285 61.300 -0.336 0.000 1.083 167 I CB 1.835 39.678 38.000 -0.263 0.000 1.245 167 I HN 0.456 nan 8.210 nan 0.000 0.434 168 Y N 5.743 125.865 120.300 -0.297 0.000 2.365 168 Y HA 0.339 4.889 4.550 0.001 0.000 0.340 168 Y C 0.638 176.148 175.900 -0.651 0.000 1.016 168 Y CA -0.056 57.824 58.100 -0.366 0.000 1.196 168 Y CB 0.771 39.103 38.460 -0.213 0.000 1.167 168 Y HN 0.541 nan 8.280 nan 0.000 0.509 169 Q N 1.260 120.680 119.800 -0.633 0.000 3.375 169 Q HA 0.700 5.041 4.340 0.001 0.000 0.295 169 Q C 0.596 176.247 176.000 -0.581 0.000 0.996 169 Q CA -0.609 54.534 55.803 -1.101 0.000 0.801 169 Q CB 1.465 29.645 28.738 -0.930 0.000 2.066 169 Q HN 0.789 nan 8.270 nan 0.000 0.424 170 G N 1.137 109.676 108.800 -0.435 0.000 2.514 170 G HA2 -0.270 3.690 3.960 0.001 0.000 0.265 170 G HA3 -0.270 3.690 3.960 0.001 0.000 0.265 170 G C -0.235 174.769 174.900 0.173 0.000 1.150 170 G CA 0.098 45.022 45.100 -0.294 0.000 0.959 170 G HN 0.639 nan 8.290 nan 0.000 0.556 171 S N -1.113 114.673 115.700 0.143 0.000 2.667 171 S HA 0.758 5.228 4.470 0.001 0.000 0.292 171 S C 1.277 175.796 174.600 -0.134 0.000 1.126 171 S CA 0.694 59.023 58.200 0.215 0.000 0.881 171 S CB 1.450 64.780 63.200 0.217 0.000 1.132 171 S HN 2.108 nan 8.310 nan 0.000 0.492 172 A N 2.104 124.825 122.820 -0.166 0.000 1.969 172 A HA 0.061 4.381 4.320 0.001 0.000 0.218 172 A C 1.744 179.171 177.584 -0.262 0.000 1.169 172 A CA 1.044 52.786 52.037 -0.492 0.000 0.635 172 A CB -0.365 18.535 19.000 -0.167 0.000 0.810 172 A HN 0.691 nan 8.150 nan 0.000 0.445 173 K N -2.122 118.238 120.400 -0.066 0.000 2.432 173 K HA 0.126 4.447 4.320 0.001 0.000 0.196 173 K C -0.592 176.068 176.600 0.100 0.000 1.038 173 K CA 0.411 56.704 56.287 0.009 0.000 0.986 173 K CB -0.060 32.474 32.500 0.057 0.000 0.782 173 K HN 0.461 nan 8.250 nan 0.000 0.485 174 F N 1.068 120.936 119.950 -0.137 0.000 3.065 174 F HA 0.316 4.843 4.527 0.001 0.000 0.383 174 F C -0.590 175.085 175.800 -0.209 0.000 1.259 174 F CA -0.869 57.057 58.000 -0.124 0.000 1.217 174 F CB 0.362 39.343 39.000 -0.032 0.000 2.042 174 F HN -0.241 nan 8.300 nan 0.000 0.641 175 I N 4.055 124.395 120.570 -0.384 0.000 2.752 175 I HA 0.081 4.251 4.170 0.001 0.000 0.287 175 I C 0.260 176.123 176.117 -0.423 0.000 1.188 175 I CA 0.303 61.381 61.300 -0.371 0.000 1.427 175 I CB 0.471 38.269 38.000 -0.337 0.000 1.365 175 I HN 0.274 nan 8.210 nan 0.000 0.585 176 K N 5.757 125.942 120.400 -0.359 0.000 2.378 176 K HA 0.287 4.607 4.320 0.001 0.000 0.252 176 K C -1.051 175.313 176.600 -0.393 0.000 0.931 176 K CA -0.698 55.332 56.287 -0.427 0.000 0.794 176 K CB 1.776 33.899 32.500 -0.628 0.000 1.181 176 K HN 0.657 nan 8.250 nan 0.000 0.425 177 N N 4.023 122.446 118.700 -0.462 0.000 2.501 177 N HA 0.170 4.911 4.740 0.001 0.000 0.245 177 N C -0.608 174.518 175.510 -0.640 0.000 0.974 177 N CA -0.491 52.087 53.050 -0.786 0.000 0.941 177 N CB 0.627 38.486 38.487 -1.046 0.000 1.122 177 N HN 0.239 nan 8.380 nan 0.000 0.507 178 I N 3.761 124.026 120.570 -0.508 0.000 2.371 178 I HA 0.279 4.449 4.170 0.001 0.000 0.290 178 I C -1.837 174.212 176.117 -0.113 0.000 1.028 178 I CA -2.349 58.797 61.300 -0.256 0.000 1.345 178 I CB 1.139 39.008 38.000 -0.218 0.000 1.407 178 I HN 0.409 nan 8.210 nan 0.000 0.501 179 P HA 0.029 nan 4.420 nan 0.000 0.275 179 P C -1.080 176.256 177.300 0.060 0.000 1.227 179 P CA -0.369 62.760 63.100 0.048 0.000 0.781 179 P CB 0.913 32.620 31.700 0.012 0.000 0.906 180 W N 3.632 124.766 121.300 -0.277 0.000 3.129 180 W HA 0.239 4.900 4.660 0.001 0.000 0.333 180 W C -1.447 174.746 176.519 -0.543 0.000 1.141 180 W CA -0.569 56.524 57.345 -0.420 0.000 1.224 180 W CB 2.107 31.195 29.460 -0.620 0.000 1.393 180 W HN 0.281 nan 8.180 nan 0.000 0.499 181 N N 3.716 122.036 118.700 -0.633 0.000 2.500 181 N HA 0.214 4.954 4.740 0.001 0.000 0.236 181 N C 0.289 175.683 175.510 -0.192 0.000 1.022 181 N CA -0.116 52.727 53.050 -0.344 0.000 0.935 181 N CB 0.155 38.469 38.487 -0.287 0.000 1.147 181 N HN 0.179 nan 8.380 nan 0.000 0.512 182 F N 1.981 122.039 119.950 0.179 0.000 2.367 182 F HA 0.217 4.745 4.527 0.001 0.000 0.298 182 F C 2.140 177.958 175.800 0.030 0.000 1.094 182 F CA 0.661 58.771 58.000 0.184 0.000 1.409 182 F CB -0.590 38.455 39.000 0.075 0.000 1.064 182 F HN 0.636 nan 8.300 nan 0.000 0.528 183 G N 1.553 110.428 108.800 0.125 0.000 2.473 183 G HA2 -0.370 3.591 3.960 0.001 0.000 0.307 183 G HA3 -0.370 3.591 3.960 0.001 0.000 0.307 183 G C 1.351 176.255 174.900 0.007 0.000 0.937 183 G CA 0.800 45.915 45.100 0.026 0.000 0.947 183 G HN 0.514 nan 8.290 nan 0.000 0.513 184 Q N -1.023 118.726 119.800 -0.085 0.000 2.443 184 Q HA -0.081 4.260 4.340 0.001 0.000 0.213 184 Q C 1.246 177.295 176.000 0.081 0.000 0.982 184 Q CA 1.268 57.017 55.803 -0.091 0.000 0.894 184 Q CB -0.260 28.336 28.738 -0.236 0.000 0.947 184 Q HN 0.592 nan 8.270 nan 0.000 0.480 185 F N 0.907 120.893 119.950 0.061 0.000 2.639 185 F HA 0.411 4.938 4.527 0.001 0.000 0.302 185 F C 0.411 176.219 175.800 0.013 0.000 1.097 185 F CA -1.543 56.480 58.000 0.038 0.000 1.294 185 F CB -0.062 38.953 39.000 0.025 0.000 1.027 185 F HN 0.035 nan 8.300 nan 0.000 0.550 186 E N 1.301 121.599 120.200 0.164 0.000 2.360 186 E HA -0.016 4.335 4.350 0.001 0.000 0.269 186 E C 0.067 176.730 176.600 0.105 0.000 1.022 186 E CA -0.334 56.124 56.400 0.095 0.000 0.887 186 E CB 0.495 30.226 29.700 0.052 0.000 0.990 186 E HN -0.028 nan 8.360 nan 0.000 0.426 187 D N 2.880 123.334 120.400 0.091 0.000 2.730 187 D HA -0.130 4.511 4.640 0.001 0.000 0.225 187 D C 0.986 177.329 176.300 0.072 0.000 1.107 187 D CA 1.838 55.887 54.000 0.081 0.000 0.837 187 D CB 0.469 41.310 40.800 0.069 0.000 1.171 187 D HN 0.720 nan 8.370 nan 0.000 0.498 188 G N 4.246 113.088 108.800 0.071 0.000 2.396 188 G HA2 -0.332 3.629 3.960 0.001 0.000 0.242 188 G HA3 -0.332 3.629 3.960 0.001 0.000 0.242 188 G C 1.464 176.412 174.900 0.079 0.000 1.069 188 G CA 0.287 45.426 45.100 0.065 0.000 0.633 188 G HN 0.547 nan 8.290 nan 0.000 0.517 189 I N 1.149 121.773 120.570 0.090 0.000 2.236 189 I HA -0.149 4.022 4.170 0.001 0.000 0.249 189 I C 2.753 178.934 176.117 0.107 0.000 1.102 189 I CA 1.971 63.330 61.300 0.098 0.000 1.365 189 I CB -1.056 37.006 38.000 0.103 0.000 1.051 189 I HN 0.482 nan 8.210 nan 0.000 0.420 190 L N 0.495 121.789 121.223 0.119 0.000 1.976 190 L HA -0.254 4.086 4.340 0.001 0.000 0.209 190 L C 2.276 179.202 176.870 0.092 0.000 1.071 190 L CA 1.825 56.736 54.840 0.119 0.000 0.746 190 L CB -0.496 41.635 42.059 0.119 0.000 0.890 190 L HN 0.287 nan 8.230 nan 0.000 0.432 191 D N 0.111 120.557 120.400 0.077 0.000 2.158 191 D HA -0.257 4.383 4.640 0.001 0.000 0.197 191 D C 2.149 178.494 176.300 0.076 0.000 0.995 191 D CA 1.823 55.859 54.000 0.059 0.000 0.846 191 D CB -0.143 40.683 40.800 0.043 0.000 0.941 191 D HN 0.478 nan 8.370 nan 0.000 0.456 192 I N 0.767 121.399 120.570 0.102 0.000 2.454 192 I HA -0.234 3.937 4.170 0.001 0.000 0.254 192 I C 2.585 178.793 176.117 0.153 0.000 1.156 192 I CA 0.427 61.826 61.300 0.165 0.000 1.433 192 I CB -0.167 37.943 38.000 0.182 0.000 1.082 192 I HN 0.086 nan 8.210 nan 0.000 0.432 193 C N 0.587 119.942 119.300 0.091 0.000 2.476 193 C HA -0.089 4.372 4.460 0.001 0.000 0.278 193 C C 2.725 177.745 174.990 0.050 0.000 1.274 193 C CA 0.495 59.545 59.018 0.054 0.000 1.713 193 C CB -0.823 26.958 27.740 0.068 0.000 2.039 193 C HN 0.434 nan 8.230 nan 0.000 0.484 194 L N 0.544 121.801 121.223 0.056 0.000 2.012 194 L HA -0.174 4.167 4.340 0.001 0.000 0.210 194 L C 2.405 179.275 176.870 -0.001 0.000 1.073 194 L CA 1.602 56.459 54.840 0.029 0.000 0.748 194 L CB -0.643 41.431 42.059 0.025 0.000 0.891 194 L HN 0.347 nan 8.230 nan 0.000 0.431 195 I N -0.291 120.301 120.570 0.036 0.000 2.151 195 I HA -0.368 3.802 4.170 0.001 0.000 0.243 195 I C 2.575 178.752 176.117 0.099 0.000 1.080 195 I CA 1.466 62.793 61.300 0.045 0.000 1.339 195 I CB -0.358 37.713 38.000 0.118 0.000 1.039 195 I HN 0.274 nan 8.210 nan 0.000 0.409 196 L N 0.420 121.744 121.223 0.167 0.000 2.189 196 L HA -0.255 4.086 4.340 0.001 0.000 0.214 196 L C 2.381 179.253 176.870 0.004 0.000 1.097 196 L CA 1.547 56.439 54.840 0.086 0.000 0.764 196 L CB -0.076 41.905 42.059 -0.131 0.000 0.900 196 L HN 0.331 nan 8.230 nan 0.000 0.436 197 L N -1.334 119.871 121.223 -0.030 0.000 2.202 197 L HA -0.090 4.251 4.340 0.001 0.000 0.205 197 L C 1.532 178.288 176.870 -0.191 0.000 1.083 197 L CA 0.445 55.252 54.840 -0.054 0.000 0.790 197 L CB -0.317 41.737 42.059 -0.008 0.000 0.942 197 L HN 0.125 nan 8.230 nan 0.000 0.452 198 D N -0.535 119.646 120.400 -0.366 0.000 2.371 198 D HA -0.050 4.591 4.640 0.001 0.000 0.234 198 D C 1.072 176.963 176.300 -0.681 0.000 1.049 198 D CA 0.656 54.076 54.000 -0.966 0.000 0.907 198 D CB 0.738 41.107 40.800 -0.719 0.000 0.891 198 D HN 0.073 nan 8.370 nan 0.000 0.531 199 V N 0.844 120.625 119.914 -0.222 0.000 3.111 199 V HA 0.093 4.213 4.120 0.001 0.000 0.343 199 V C -0.439 175.700 176.094 0.075 0.000 1.417 199 V CA -0.423 61.863 62.300 -0.022 0.000 1.142 199 V CB -0.090 31.773 31.823 0.065 0.000 1.114 199 V HN 0.103 nan 8.190 nan 0.000 0.520 200 N N -0.748 117.999 118.700 0.079 0.000 2.472 200 N HA 0.549 5.290 4.740 0.001 0.000 0.289 200 N C -1.918 173.688 175.510 0.159 0.000 1.156 200 N CA -1.451 51.663 53.050 0.107 0.000 0.940 200 N CB 1.494 40.022 38.487 0.068 0.000 1.200 200 N HN -0.163 nan 8.380 nan 0.000 0.511 201 P HA -0.241 nan 4.420 nan 0.000 0.212 201 P C 0.890 178.277 177.300 0.146 0.000 1.174 201 P CA 1.744 64.912 63.100 0.114 0.000 0.934 201 P CB 0.042 31.784 31.700 0.070 0.000 0.791 202 K N -1.698 118.790 120.400 0.148 0.000 2.227 202 K HA -0.218 4.103 4.320 0.001 0.000 0.208 202 K C 1.902 178.627 176.600 0.209 0.000 1.045 202 K CA 1.706 58.106 56.287 0.189 0.000 0.931 202 K CB -1.175 31.485 32.500 0.267 0.000 0.721 202 K HN 0.172 nan 8.250 nan 0.000 0.469 203 F N -0.401 119.606 119.950 0.095 0.000 2.262 203 F HA 0.078 4.606 4.527 0.001 0.000 0.292 203 F C 1.476 177.310 175.800 0.057 0.000 1.081 203 F CA 0.700 58.748 58.000 0.082 0.000 1.355 203 F CB 0.145 39.192 39.000 0.078 0.000 1.069 203 F HN -0.110 nan 8.300 nan 0.000 0.506 204 L N 0.200 121.610 121.223 0.313 0.000 2.156 204 L HA -0.135 4.205 4.340 0.001 0.000 0.208 204 L C 2.182 179.078 176.870 0.043 0.000 1.095 204 L CA 1.169 56.122 54.840 0.188 0.000 0.770 204 L CB -0.626 41.546 42.059 0.188 0.000 0.914 204 L HN 0.044 nan 8.230 nan 0.000 0.439 205 K N 0.792 121.218 120.400 0.044 0.000 2.365 205 K HA -0.071 4.250 4.320 0.001 0.000 0.199 205 K C 0.290 176.870 176.600 -0.032 0.000 1.045 205 K CA 0.831 57.125 56.287 0.013 0.000 0.962 205 K CB 0.088 32.607 32.500 0.032 0.000 0.759 205 K HN 0.314 nan 8.250 nan 0.000 0.469 206 N N -1.489 117.160 118.700 -0.086 0.000 3.506 206 N HA 0.084 4.824 4.740 0.001 0.000 0.174 206 N C -0.037 175.314 175.510 -0.265 0.000 1.488 206 N CA 0.348 53.318 53.050 -0.134 0.000 0.834 206 N CB 0.022 38.469 38.487 -0.066 0.000 1.677 206 N HN 0.055 nan 8.380 nan 0.000 0.654 207 A N 1.304 123.826 122.820 -0.496 0.000 1.915 207 A HA -0.183 4.138 4.320 0.001 0.000 0.220 207 A C 2.013 179.352 177.584 -0.408 0.000 1.198 207 A CA 2.515 54.028 52.037 -0.873 0.000 0.647 207 A CB -1.051 17.452 19.000 -0.827 0.000 0.825 207 A HN 0.694 nan 8.150 nan 0.000 0.456 208 G N -0.904 107.759 108.800 -0.228 0.000 2.433 208 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 208 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 208 G C 1.660 176.513 174.900 -0.079 0.000 1.186 208 G CA 1.335 46.363 45.100 -0.120 0.000 0.779 208 G HN 0.552 nan 8.290 nan 0.000 0.543 209 R N 0.870 121.323 120.500 -0.078 0.000 2.097 209 R HA -0.129 4.212 4.340 0.001 0.000 0.236 209 R C 2.259 178.532 176.300 -0.046 0.000 1.135 209 R CA 2.214 58.278 56.100 -0.059 0.000 0.934 209 R CB -0.971 29.301 30.300 -0.046 0.000 0.846 209 R HN 0.435 nan 8.270 nan 0.000 0.431 210 D N -0.660 119.753 120.400 0.021 0.000 2.092 210 D HA -0.180 4.461 4.640 0.001 0.000 0.193 210 D C 1.667 178.101 176.300 0.223 0.000 0.994 210 D CA 1.792 55.910 54.000 0.197 0.000 0.828 210 D CB -0.251 40.728 40.800 0.298 0.000 0.963 210 D HN 0.357 nan 8.370 nan 0.000 0.450 211 C N 0.451 119.851 119.300 0.167 0.000 2.410 211 C HA -0.094 4.367 4.460 0.001 0.000 0.281 211 C C 3.138 178.192 174.990 0.107 0.000 1.318 211 C CA 1.351 60.474 59.018 0.174 0.000 1.776 211 C CB -1.160 26.652 27.740 0.120 0.000 1.942 211 C HN 0.478 nan 8.230 nan 0.000 0.508 212 S N 0.398 116.126 115.700 0.046 0.000 2.336 212 S HA -0.073 4.397 4.470 0.001 0.000 0.216 212 S C 1.964 176.574 174.600 0.018 0.000 1.032 212 S CA 0.861 59.077 58.200 0.028 0.000 0.973 212 S CB -0.345 62.849 63.200 -0.011 0.000 0.888 212 S HN 0.620 nan 8.310 nan 0.000 0.455 213 R N 0.776 121.213 120.500 -0.105 0.000 2.341 213 R HA 0.102 4.443 4.340 0.001 0.000 0.213 213 R C 1.542 177.875 176.300 0.054 0.000 1.082 213 R CA 0.484 56.431 56.100 -0.256 0.000 1.017 213 R CB -0.269 29.442 30.300 -0.982 0.000 0.860 213 R HN 0.443 nan 8.270 nan 0.000 0.473 214 R N 0.679 121.318 120.500 0.231 0.000 2.386 214 R HA -0.018 4.323 4.340 0.001 0.000 0.216 214 R C 1.245 177.690 176.300 0.241 0.000 1.119 214 R CA 0.677 56.984 56.100 0.345 0.000 1.158 214 R CB 0.064 30.524 30.300 0.265 0.000 1.057 214 R HN 0.192 nan 8.270 nan 0.000 0.489 215 S N -1.876 113.961 115.700 0.228 0.000 2.523 215 S HA 0.048 4.519 4.470 0.001 0.000 0.217 215 S C 0.702 175.518 174.600 0.360 0.000 0.996 215 S CA -0.553 57.767 58.200 0.201 0.000 0.921 215 S CB 0.747 64.044 63.200 0.163 0.000 0.829 215 S HN 0.060 nan 8.310 nan 0.000 0.495 216 S N 3.250 119.184 115.700 0.391 0.000 2.429 216 S HA 0.448 4.919 4.470 0.001 0.000 0.302 216 S C -1.573 173.242 174.600 0.358 0.000 1.115 216 S CA -1.777 56.629 58.200 0.343 0.000 1.095 216 S CB 1.499 64.841 63.200 0.235 0.000 0.987 216 S HN 0.109 nan 8.310 nan 0.000 0.474 217 P HA -0.094 nan 4.420 nan 0.000 0.218 217 P C 1.581 178.805 177.300 -0.127 0.000 1.149 217 P CA 0.758 63.658 63.100 -0.333 0.000 0.817 217 P CB 0.008 31.383 31.700 -0.542 0.000 0.785 218 V N -1.262 118.626 119.914 -0.043 0.000 2.515 218 V HA -0.226 3.895 4.120 0.001 0.000 0.250 218 V C 2.445 178.528 176.094 -0.019 0.000 1.058 218 V CA 1.519 63.784 62.300 -0.058 0.000 1.064 218 V CB -1.326 30.473 31.823 -0.041 0.000 0.675 218 V HN -0.063 nan 8.190 nan 0.000 0.461 219 Y N 0.757 121.043 120.300 -0.025 0.000 2.114 219 Y HA -0.109 4.442 4.550 0.001 0.000 0.284 219 Y C 2.389 178.305 175.900 0.028 0.000 1.119 219 Y CA 2.456 60.559 58.100 0.005 0.000 1.108 219 Y CB -0.731 37.771 38.460 0.069 0.000 0.995 219 Y HN 0.097 nan 8.280 nan 0.000 0.491 220 V N 0.707 120.655 119.914 0.057 0.000 2.370 220 V HA -0.358 3.762 4.120 0.001 0.000 0.252 220 V C 2.603 178.648 176.094 -0.083 0.000 1.068 220 V CA 2.030 64.334 62.300 0.008 0.000 1.061 220 V CB -1.797 30.202 31.823 0.293 0.000 0.656 220 V HN 0.668 nan 8.190 nan 0.000 0.455 221 G N -0.504 108.241 108.800 -0.092 0.000 2.418 221 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 221 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 221 G C 1.742 176.561 174.900 -0.136 0.000 1.158 221 G CA 0.543 45.577 45.100 -0.111 0.000 0.771 221 G HN 0.343 nan 8.290 nan 0.000 0.545 222 R N -0.003 120.388 120.500 -0.180 0.000 2.081 222 R HA -0.029 4.312 4.340 0.001 0.000 0.235 222 R C 2.745 178.956 176.300 -0.149 0.000 1.131 222 R CA 1.110 57.107 56.100 -0.172 0.000 0.960 222 R CB -0.892 29.288 30.300 -0.201 0.000 0.856 222 R HN 0.365 nan 8.270 nan 0.000 0.436 223 V N 0.078 119.851 119.914 -0.236 0.000 2.237 223 V HA -0.181 3.940 4.120 0.001 0.000 0.245 223 V C 2.509 178.529 176.094 -0.123 0.000 1.046 223 V CA 2.130 64.311 62.300 -0.197 0.000 1.007 223 V CB -1.238 30.404 31.823 -0.302 0.000 0.638 223 V HN 0.458 nan 8.190 nan 0.000 0.445 224 G N -0.715 108.016 108.800 -0.115 0.000 2.545 224 G HA2 -0.376 3.585 3.960 0.001 0.000 0.217 224 G HA3 -0.376 3.585 3.960 0.001 0.000 0.217 224 G C 1.917 176.747 174.900 -0.116 0.000 1.218 224 G CA 1.578 46.618 45.100 -0.100 0.000 0.787 224 G HN 0.496 nan 8.290 nan 0.000 0.571 225 S N 0.645 116.279 115.700 -0.110 0.000 2.378 225 S HA -0.131 4.340 4.470 0.001 0.000 0.229 225 S C 2.482 176.986 174.600 -0.161 0.000 1.052 225 S CA 2.373 60.501 58.200 -0.119 0.000 1.084 225 S CB -0.984 62.149 63.200 -0.112 0.000 0.950 225 S HN 0.595 nan 8.310 nan 0.000 0.440 226 G N 0.366 109.076 108.800 -0.151 0.000 2.471 226 G HA2 -0.054 3.907 3.960 0.001 0.000 0.219 226 G HA3 -0.054 3.907 3.960 0.001 0.000 0.219 226 G C 1.261 176.093 174.900 -0.113 0.000 1.125 226 G CA 0.595 45.600 45.100 -0.157 0.000 0.775 226 G HN 0.467 nan 8.290 nan 0.000 0.548 227 M N 0.862 120.392 119.600 -0.118 0.000 2.618 227 M HA 0.149 4.630 4.480 0.001 0.000 0.240 227 M C 2.150 178.315 176.300 -0.225 0.000 1.123 227 M CA 0.190 55.409 55.300 -0.135 0.000 1.060 227 M CB 0.155 32.673 32.600 -0.138 0.000 1.535 227 M HN 0.111 nan 8.290 nan 0.000 0.507 228 V N -0.021 119.747 119.914 -0.244 0.000 2.374 228 V HA -0.101 4.020 4.120 0.001 0.000 0.241 228 V C 1.779 177.654 176.094 -0.366 0.000 1.034 228 V CA 1.638 63.762 62.300 -0.294 0.000 1.037 228 V CB -0.420 31.265 31.823 -0.231 0.000 0.682 228 V HN 0.441 nan 8.190 nan 0.000 0.463 229 N N -1.136 117.299 118.700 -0.443 0.000 3.411 229 N HA 0.023 4.764 4.740 0.001 0.000 0.236 229 N C 0.408 175.763 175.510 -0.259 0.000 1.053 229 N CA 0.547 53.300 53.050 -0.495 0.000 1.133 229 N CB 0.191 38.037 38.487 -1.067 0.000 1.460 229 N HN 0.414 nan 8.380 nan 0.000 0.724 230 c N 2.843 121.280 118.600 -0.272 0.000 1.537 230 c HA 0.101 4.672 4.570 0.001 0.000 0.459 230 c C 0.360 174.473 174.090 0.039 0.000 1.461 230 c CA -0.374 55.865 56.329 -0.150 0.000 1.623 230 c CB -2.558 39.677 42.510 -0.457 0.000 3.004 230 c HN 0.809 nan 8.230 nan 0.000 0.599 231 N N 1.055 119.805 118.700 0.084 0.000 2.556 231 N HA -0.159 4.582 4.740 0.001 0.000 0.276 231 N C -0.200 175.348 175.510 0.064 0.000 1.259 231 N CA 0.898 54.008 53.050 0.100 0.000 0.654 231 N CB -0.806 37.764 38.487 0.140 0.000 0.889 231 N HN 0.855 nan 8.380 nan 0.000 0.547 232 D N 1.034 121.467 120.400 0.056 0.000 2.332 232 D HA 0.048 4.689 4.640 0.001 0.000 0.244 232 D C 1.055 177.404 176.300 0.082 0.000 1.136 232 D CA 0.313 54.350 54.000 0.062 0.000 0.884 232 D CB -0.085 40.756 40.800 0.069 0.000 0.906 232 D HN 0.632 nan 8.370 nan 0.000 0.520 233 D N -0.323 120.124 120.400 0.078 0.000 2.265 233 D HA -0.167 4.473 4.640 0.001 0.000 0.208 233 D C 0.717 177.072 176.300 0.091 0.000 0.977 233 D CA 0.966 55.012 54.000 0.076 0.000 0.871 233 D CB 0.291 41.132 40.800 0.068 0.000 0.925 233 D HN 0.038 nan 8.370 nan 0.000 0.485 234 Q N -0.893 118.973 119.800 0.111 0.000 2.392 234 Q HA 0.258 4.599 4.340 0.001 0.000 0.246 234 Q C -0.275 175.846 176.000 0.201 0.000 0.705 234 Q CA 0.051 55.951 55.803 0.161 0.000 1.040 234 Q CB 0.189 29.013 28.738 0.144 0.000 1.404 234 Q HN 0.108 nan 8.270 nan 0.000 0.359 235 G N -0.965 107.927 108.800 0.152 0.000 2.525 235 G HA2 0.459 4.419 3.960 0.001 0.000 0.287 235 G HA3 0.459 4.419 3.960 0.001 0.000 0.287 235 G C 0.288 175.225 174.900 0.062 0.000 1.350 235 G CA 0.083 45.212 45.100 0.049 0.000 1.039 235 G HN 0.150 nan 8.290 nan 0.000 0.513 236 V N -0.855 118.912 119.914 -0.244 0.000 3.048 236 V HA 0.321 4.441 4.120 0.001 0.000 0.241 236 V C 0.681 176.698 176.094 -0.129 0.000 1.129 236 V CA 0.620 62.618 62.300 -0.503 0.000 1.128 236 V CB -0.309 31.041 31.823 -0.788 0.000 0.849 236 V HN 0.269 nan 8.190 nan 0.000 0.475 237 L N 0.769 121.937 121.223 -0.092 0.000 2.381 237 L HA 0.573 4.913 4.340 0.001 0.000 0.268 237 L C -1.202 175.713 176.870 0.076 0.000 0.997 237 L CA -0.743 54.113 54.840 0.027 0.000 0.818 237 L CB 2.474 44.607 42.059 0.124 0.000 1.310 237 L HN 0.112 nan 8.230 nan 0.000 0.416 238 L N 2.147 123.442 121.223 0.119 0.000 2.272 238 L HA 0.664 5.004 4.340 0.001 0.000 0.289 238 L C 0.426 177.443 176.870 0.244 0.000 1.032 238 L CA 0.137 55.069 54.840 0.154 0.000 0.810 238 L CB 1.268 43.384 42.059 0.096 0.000 1.205 238 L HN 0.569 nan 8.230 nan 0.000 0.422 239 G N 3.524 112.517 108.800 0.320 0.000 2.636 239 G HA2 0.471 4.432 3.960 0.001 0.000 0.246 239 G HA3 0.471 4.432 3.960 0.001 0.000 0.246 239 G C -0.899 174.011 174.900 0.017 0.000 1.216 239 G CA -0.361 44.810 45.100 0.118 0.000 0.854 239 G HN 0.810 nan 8.290 nan 0.000 0.572 240 R N -0.456 119.668 120.500 -0.626 0.000 2.868 240 R HA 0.196 4.537 4.340 0.001 0.000 0.262 240 R C -0.789 175.319 176.300 -0.320 0.000 1.163 240 R CA -0.727 55.311 56.100 -0.104 0.000 1.105 240 R CB 0.113 30.400 30.300 -0.022 0.000 1.270 240 R HN 0.672 nan 8.270 nan 0.000 0.437 241 W N 2.299 123.712 121.300 0.190 0.000 2.773 241 W HA 0.022 4.682 4.660 0.001 0.000 0.297 241 W C 0.809 177.374 176.519 0.077 0.000 1.050 241 W CA 0.495 57.928 57.345 0.147 0.000 1.467 241 W CB 0.682 30.164 29.460 0.037 0.000 0.977 241 W HN 0.718 nan 8.180 nan 0.000 0.573 242 D N 0.268 120.787 120.400 0.198 0.000 2.221 242 D HA -0.250 4.391 4.640 0.001 0.000 0.204 242 D C 0.907 177.139 176.300 -0.112 0.000 0.982 242 D CA 1.320 55.339 54.000 0.033 0.000 0.857 242 D CB -0.710 40.087 40.800 -0.006 0.000 0.934 242 D HN 0.153 nan 8.370 nan 0.000 0.475 243 N N -0.468 118.043 118.700 -0.315 0.000 2.989 243 N HA -0.170 4.571 4.740 0.001 0.000 0.247 243 N C -1.276 173.685 175.510 -0.914 0.000 1.119 243 N CA 0.273 52.919 53.050 -0.673 0.000 0.755 243 N CB -1.728 36.634 38.487 -0.208 0.000 1.100 243 N HN 0.308 nan 8.380 nan 0.000 0.550 244 N N 0.885 118.965 118.700 -1.034 0.000 2.716 244 N HA 0.189 4.930 4.740 0.001 0.000 0.253 244 N C -0.596 174.516 175.510 -0.663 0.000 1.170 244 N CA -0.156 52.509 53.050 -0.641 0.000 0.807 244 N CB 0.195 38.491 38.487 -0.317 0.000 1.183 244 N HN 0.168 nan 8.380 nan 0.000 0.524 245 Y N -0.296 119.868 120.300 -0.226 0.000 2.507 245 Y HA 0.300 4.851 4.550 0.001 0.000 0.254 245 Y C 2.131 178.020 175.900 -0.019 0.000 1.171 245 Y CA -0.546 57.384 58.100 -0.283 0.000 1.238 245 Y CB 0.018 38.356 38.460 -0.204 0.000 1.148 245 Y HN 0.423 nan 8.280 nan 0.000 0.525 246 G N 1.204 110.036 108.800 0.053 0.000 2.596 246 G HA2 -0.333 3.627 3.960 0.001 0.000 0.223 246 G HA3 -0.333 3.627 3.960 0.001 0.000 0.223 246 G C 1.031 176.004 174.900 0.123 0.000 1.120 246 G CA 1.657 46.799 45.100 0.070 0.000 0.752 246 G HN 0.520 nan 8.290 nan 0.000 0.596 247 D N 0.048 120.571 120.400 0.205 0.000 2.706 247 D HA 0.413 5.054 4.640 0.001 0.000 0.236 247 D C 0.850 177.307 176.300 0.262 0.000 1.231 247 D CA 0.433 54.555 54.000 0.203 0.000 0.828 247 D CB 0.137 41.050 40.800 0.188 0.000 1.015 247 D HN 0.393 nan 8.370 nan 0.000 0.484 248 G N -0.937 108.039 108.800 0.293 0.000 2.510 248 G HA2 0.360 4.321 3.960 0.001 0.000 0.277 248 G HA3 0.360 4.321 3.960 0.001 0.000 0.277 248 G C -1.793 173.206 174.900 0.164 0.000 1.223 248 G CA -0.515 44.722 45.100 0.229 0.000 0.887 248 G HN 0.062 nan 8.290 nan 0.000 0.485 249 V N 1.349 121.325 119.914 0.102 0.000 2.409 249 V HA 0.570 4.690 4.120 0.001 0.000 0.291 249 V C 0.786 176.747 176.094 -0.222 0.000 1.020 249 V CA -0.448 61.717 62.300 -0.227 0.000 0.848 249 V CB 1.163 32.489 31.823 -0.828 0.000 0.990 249 V HN 0.981 nan 8.190 nan 0.000 0.430 250 S N 6.760 122.333 115.700 -0.211 0.000 2.575 250 S HA 0.062 4.532 4.470 0.001 0.000 0.295 250 S C -1.146 173.245 174.600 -0.348 0.000 1.267 250 S CA -0.395 57.624 58.200 -0.301 0.000 1.074 250 S CB 0.750 63.920 63.200 -0.050 0.000 0.829 250 S HN 0.607 nan 8.310 nan 0.000 0.497 251 P HA -0.156 nan 4.420 nan 0.000 0.217 251 P C 1.518 179.009 177.300 0.320 0.000 1.151 251 P CA 1.319 64.374 63.100 -0.074 0.000 0.849 251 P CB 0.075 31.509 31.700 -0.443 0.000 0.787 252 M N -1.613 118.169 119.600 0.304 0.000 2.557 252 M HA -0.008 4.473 4.480 0.001 0.000 0.259 252 M C 1.657 178.066 176.300 0.183 0.000 1.086 252 M CA 1.319 56.850 55.300 0.386 0.000 1.096 252 M CB -1.109 31.635 32.600 0.241 0.000 1.424 252 M HN -0.095 nan 8.290 nan 0.000 0.488 253 S N -1.001 114.694 115.700 -0.009 0.000 2.436 253 S HA -0.039 4.431 4.470 0.001 0.000 0.228 253 S C 0.105 174.620 174.600 -0.140 0.000 1.014 253 S CA 0.000 58.113 58.200 -0.144 0.000 0.950 253 S CB -0.095 62.916 63.200 -0.315 0.000 0.784 253 S HN 0.459 nan 8.310 nan 0.000 0.504 254 W N 1.975 123.293 121.300 0.030 0.000 2.231 254 W HA 0.235 4.895 4.660 0.001 0.000 0.341 254 W C 1.074 177.397 176.519 -0.327 0.000 1.298 254 W CA -0.433 56.849 57.345 -0.105 0.000 1.266 254 W CB 0.144 29.614 29.460 0.016 0.000 1.172 254 W HN 0.166 nan 8.180 nan 0.000 0.568 255 I N 1.010 121.388 120.570 -0.319 0.000 3.813 255 I HA 0.676 4.846 4.170 0.001 0.000 0.323 255 I C 0.379 175.824 176.117 -1.120 0.000 1.536 255 I CA -0.418 60.521 61.300 -0.602 0.000 1.083 255 I CB 0.168 38.021 38.000 -0.245 0.000 1.265 255 I HN 0.452 nan 8.210 nan 0.000 0.507 256 G N 0.344 108.219 108.800 -1.541 0.000 2.380 256 G HA2 0.155 4.116 3.960 0.001 0.000 0.305 256 G HA3 0.155 4.116 3.960 0.001 0.000 0.305 256 G C -0.016 174.619 174.900 -0.442 0.000 1.672 256 G CA -0.088 44.243 45.100 -1.283 0.000 0.904 256 G HN -0.035 nan 8.290 nan 0.000 0.686 257 S N 0.538 116.310 115.700 0.120 0.000 2.419 257 S HA -0.156 4.315 4.470 0.001 0.000 0.235 257 S C 2.654 177.261 174.600 0.011 0.000 1.019 257 S CA 1.388 59.701 58.200 0.188 0.000 0.982 257 S CB -0.114 63.282 63.200 0.326 0.000 0.789 257 S HN 0.720 nan 8.310 nan 0.000 0.490 258 V N 2.327 122.242 119.914 0.002 0.000 2.278 258 V HA -0.273 3.848 4.120 0.001 0.000 0.251 258 V C 2.395 178.486 176.094 -0.004 0.000 1.062 258 V CA 2.297 64.599 62.300 0.003 0.000 1.038 258 V CB -0.718 31.101 31.823 -0.007 0.000 0.646 258 V HN 0.416 nan 8.190 nan 0.000 0.447 259 D N -0.436 119.959 120.400 -0.008 0.000 2.162 259 D HA -0.051 4.590 4.640 0.001 0.000 0.203 259 D C 1.990 178.283 176.300 -0.012 0.000 0.967 259 D CA 0.958 54.985 54.000 0.045 0.000 0.840 259 D CB -0.122 40.780 40.800 0.169 0.000 0.972 259 D HN 0.446 nan 8.370 nan 0.000 0.482 260 I N 0.191 120.632 120.570 -0.215 0.000 2.226 260 I HA -0.233 3.937 4.170 0.001 0.000 0.245 260 I C 2.149 178.195 176.117 -0.118 0.000 1.100 260 I CA 0.418 61.486 61.300 -0.386 0.000 1.374 260 I CB -0.187 37.389 38.000 -0.708 0.000 1.057 260 I HN 0.115 nan 8.210 nan 0.000 0.413 261 L N 0.799 121.983 121.223 -0.064 0.000 2.012 261 L HA -0.192 4.149 4.340 0.001 0.000 0.210 261 L C 2.721 179.674 176.870 0.140 0.000 1.073 261 L CA 1.925 56.789 54.840 0.039 0.000 0.748 261 L CB -1.291 40.784 42.059 0.026 0.000 0.891 261 L HN 0.272 nan 8.230 nan 0.000 0.431 262 R N -0.655 119.883 120.500 0.063 0.000 2.075 262 R HA -0.133 4.208 4.340 0.001 0.000 0.232 262 R C 2.289 178.571 176.300 -0.030 0.000 1.126 262 R CA 1.050 57.172 56.100 0.036 0.000 0.963 262 R CB -0.232 30.078 30.300 0.017 0.000 0.858 262 R HN 0.265 nan 8.270 nan 0.000 0.435 263 R N -0.712 119.757 120.500 -0.052 0.000 2.193 263 R HA -0.180 4.160 4.340 0.001 0.000 0.229 263 R C 1.665 177.865 176.300 -0.167 0.000 1.110 263 R CA 1.366 57.339 56.100 -0.213 0.000 0.988 263 R CB -0.182 30.094 30.300 -0.040 0.000 0.871 263 R HN 0.347 nan 8.270 nan 0.000 0.458 264 W N 1.568 122.773 121.300 -0.159 0.000 2.452 264 W HA -0.102 4.558 4.660 0.001 0.000 0.313 264 W C 2.124 178.607 176.519 -0.061 0.000 1.176 264 W CA 1.203 58.495 57.345 -0.088 0.000 1.350 264 W CB -0.262 29.156 29.460 -0.071 0.000 1.148 264 W HN -0.162 nan 8.180 nan 0.000 0.498 265 K N 0.283 120.646 120.400 -0.063 0.000 2.002 265 K HA -0.236 4.084 4.320 0.001 0.000 0.209 265 K C 1.688 178.166 176.600 -0.203 0.000 1.048 265 K CA 2.008 58.132 56.287 -0.271 0.000 0.930 265 K CB -0.725 31.753 32.500 -0.035 0.000 0.714 265 K HN 0.059 nan 8.250 nan 0.000 0.438 266 N N 0.515 119.136 118.700 -0.132 0.000 2.334 266 N HA -0.144 4.597 4.740 0.001 0.000 0.187 266 N C 0.256 175.793 175.510 0.046 0.000 1.016 266 N CA 1.028 54.026 53.050 -0.086 0.000 0.879 266 N CB -0.152 38.255 38.487 -0.133 0.000 0.965 266 N HN 0.308 nan 8.380 nan 0.000 0.438 267 H N -0.890 118.121 119.070 -0.099 0.000 2.539 267 H HA 0.384 4.941 4.556 0.001 0.000 0.293 267 H C 0.784 176.008 175.328 -0.172 0.000 1.156 267 H CA -0.550 55.439 56.048 -0.098 0.000 1.012 267 H CB -0.335 29.394 29.762 -0.055 0.000 1.600 267 H HN 0.099 nan 8.280 nan 0.000 0.538 268 G N 0.708 109.448 108.800 -0.100 0.000 2.371 268 G HA2 -0.341 3.620 3.960 0.001 0.000 0.299 268 G HA3 -0.341 3.620 3.960 0.001 0.000 0.299 268 G C 0.758 175.442 174.900 -0.360 0.000 1.014 268 G CA 0.150 45.132 45.100 -0.197 0.000 1.097 268 G HN 0.678 nan 8.290 nan 0.000 0.512 269 C N -1.340 117.535 119.300 -0.709 0.000 4.235 269 C HA -0.156 4.304 4.460 0.001 0.000 0.301 269 C C 0.978 175.582 174.990 -0.644 0.000 1.409 269 C CA 1.351 59.572 59.018 -1.329 0.000 2.024 269 C CB -2.221 24.864 27.740 -1.092 0.000 1.286 269 C HN 0.838 nan 8.230 nan 0.000 0.746 270 Q N -0.272 119.333 119.800 -0.325 0.000 2.278 270 Q HA 0.483 4.824 4.340 0.001 0.000 0.257 270 Q C 0.262 176.379 176.000 0.196 0.000 0.928 270 Q CA -0.660 55.140 55.803 -0.005 0.000 0.932 270 Q CB 0.921 29.675 28.738 0.027 0.000 1.221 270 Q HN 0.451 nan 8.270 nan 0.000 0.434 271 R N 0.439 121.090 120.500 0.252 0.000 2.474 271 R HA -0.026 4.315 4.340 0.001 0.000 0.290 271 R C -0.470 175.944 176.300 0.189 0.000 0.918 271 R CA 0.078 56.330 56.100 0.254 0.000 1.130 271 R CB -0.607 29.781 30.300 0.146 0.000 0.881 271 R HN 0.267 nan 8.270 nan 0.000 0.416 272 V N 3.733 123.760 119.914 0.189 0.000 2.686 272 V HA 0.039 4.160 4.120 0.001 0.000 0.295 272 V C 0.871 177.003 176.094 0.062 0.000 1.055 272 V CA -0.527 61.859 62.300 0.142 0.000 1.050 272 V CB 0.952 32.837 31.823 0.105 0.000 0.984 272 V HN 0.537 nan 8.190 nan 0.000 0.482 273 K N 4.655 125.068 120.400 0.023 0.000 2.163 273 K HA 0.123 4.443 4.320 0.001 0.000 0.267 273 K C -1.054 175.441 176.600 -0.174 0.000 1.098 273 K CA 0.460 56.573 56.287 -0.291 0.000 1.062 273 K CB -1.054 31.287 32.500 -0.266 0.000 1.033 273 K HN 0.580 nan 8.250 nan 0.000 0.396 274 Y N -1.502 118.894 120.300 0.161 0.000 2.594 274 Y HA -0.144 4.406 4.550 0.001 0.000 0.026 274 Y C 0.711 176.648 175.900 0.061 0.000 1.795 274 Y CA 0.769 58.895 58.100 0.044 0.000 1.356 274 Y CB -1.515 36.911 38.460 -0.055 0.000 2.007 274 Y HN 0.687 nan 8.280 nan 0.000 0.267 275 G N 1.845 110.646 108.800 0.001 0.000 2.660 275 G HA2 0.755 4.715 3.960 0.001 0.000 0.290 275 G HA3 0.755 4.715 3.960 0.001 0.000 0.290 275 G C -1.468 172.947 174.900 -0.809 0.000 1.432 275 G CA -1.067 43.861 45.100 -0.288 0.000 0.807 275 G HN 0.499 nan 8.290 nan 0.000 0.485 276 Q N -1.274 117.716 119.800 -1.350 0.000 2.615 276 Q HA 0.299 4.639 4.340 0.001 0.000 0.298 276 Q C 1.588 176.667 176.000 -1.534 0.000 1.023 276 Q CA -0.464 54.532 55.803 -1.344 0.000 0.768 276 Q CB 2.141 30.312 28.738 -0.945 0.000 1.500 276 Q HN 1.022 nan 8.270 nan 0.000 0.441 277 C N -0.346 118.701 119.300 -0.422 0.000 2.366 277 C HA -0.205 4.256 4.460 0.001 0.000 0.271 277 C C 2.070 176.969 174.990 -0.152 0.000 1.152 277 C CA 1.838 60.863 59.018 0.012 0.000 1.809 277 C CB -1.562 26.597 27.740 0.698 0.000 2.107 277 C HN 1.018 nan 8.230 nan 0.000 0.455 278 W N 1.772 122.961 121.300 -0.186 0.000 2.436 278 W HA 0.215 4.875 4.660 0.001 0.000 0.284 278 W C 1.847 178.132 176.519 -0.390 0.000 1.225 278 W CA 1.150 58.338 57.345 -0.262 0.000 1.271 278 W CB -1.113 28.198 29.460 -0.249 0.000 1.114 278 W HN 0.197 nan 8.180 nan 0.000 0.559 279 V N 1.388 120.576 119.914 -1.209 0.000 2.427 279 V HA -0.269 3.852 4.120 0.001 0.000 0.248 279 V C 2.234 178.076 176.094 -0.421 0.000 1.051 279 V CA 1.591 63.388 62.300 -0.839 0.000 1.048 279 V CB -1.111 30.214 31.823 -0.831 0.000 0.666 279 V HN 0.062 nan 8.190 nan 0.000 0.456 280 F N 1.350 121.119 119.950 -0.302 0.000 2.084 280 F HA -0.040 4.487 4.527 0.001 0.000 0.296 280 F C 2.567 178.268 175.800 -0.166 0.000 1.111 280 F CA 0.901 58.791 58.000 -0.184 0.000 1.224 280 F CB -1.709 37.242 39.000 -0.081 0.000 0.991 280 F HN 0.115 nan 8.300 nan 0.000 0.471 281 A N 0.199 123.043 122.820 0.041 0.000 1.940 281 A HA -0.092 4.228 4.320 0.001 0.000 0.219 281 A C 2.462 179.988 177.584 -0.096 0.000 1.176 281 A CA 2.111 54.136 52.037 -0.022 0.000 0.631 281 A CB -1.308 17.667 19.000 -0.042 0.000 0.814 281 A HN 0.323 nan 8.150 nan 0.000 0.446 282 A N -0.167 122.511 122.820 -0.236 0.000 1.873 282 A HA 0.001 4.321 4.320 0.001 0.000 0.215 282 A C 2.350 179.903 177.584 -0.051 0.000 1.186 282 A CA 2.199 54.038 52.037 -0.329 0.000 0.616 282 A CB -1.207 17.025 19.000 -1.280 0.000 0.823 282 A HN 1.218 nan 8.150 nan 0.000 0.442 283 V N -2.630 117.252 119.914 -0.052 0.000 2.667 283 V HA 0.076 4.196 4.120 0.001 0.000 0.252 283 V C 2.413 178.498 176.094 -0.014 0.000 1.065 283 V CA 1.653 63.966 62.300 0.022 0.000 1.083 283 V CB -1.174 30.620 31.823 -0.049 0.000 0.692 283 V HN 0.500 nan 8.190 nan 0.000 0.468 284 A N -0.352 122.445 122.820 -0.039 0.000 1.902 284 A HA -0.235 4.086 4.320 0.001 0.000 0.217 284 A C 2.448 180.000 177.584 -0.054 0.000 1.181 284 A CA 1.998 54.004 52.037 -0.052 0.000 0.623 284 A CB -1.372 17.604 19.000 -0.041 0.000 0.818 284 A HN 0.713 nan 8.150 nan 0.000 0.443 285 C N -1.061 118.196 119.300 -0.072 0.000 2.440 285 C HA -0.055 4.406 4.460 0.001 0.000 0.278 285 C C 2.951 177.847 174.990 -0.156 0.000 1.295 285 C CA 1.868 60.784 59.018 -0.170 0.000 1.738 285 C CB -1.497 26.043 27.740 -0.333 0.000 1.987 285 C HN 0.607 nan 8.230 nan 0.000 0.492 286 T N 0.184 114.735 114.554 -0.004 0.000 2.746 286 T HA -0.123 4.227 4.350 0.001 0.000 0.267 286 T C 1.792 176.502 174.700 0.017 0.000 1.039 286 T CA 1.812 63.952 62.100 0.066 0.000 1.142 286 T CB -0.260 68.722 68.868 0.190 0.000 0.866 286 T HN 0.419 nan 8.240 nan 0.000 0.444 287 V N 1.710 121.625 119.914 0.002 0.000 2.223 287 V HA -0.134 3.986 4.120 0.001 0.000 0.244 287 V C 2.533 178.646 176.094 0.032 0.000 1.045 287 V CA 1.630 63.934 62.300 0.006 0.000 1.000 287 V CB -0.752 31.050 31.823 -0.035 0.000 0.635 287 V HN 0.434 nan 8.190 nan 0.000 0.445 288 L N -0.564 120.663 121.223 0.006 0.000 2.013 288 L HA -0.259 4.081 4.340 0.001 0.000 0.212 288 L C 2.778 179.682 176.870 0.056 0.000 1.073 288 L CA 1.906 56.762 54.840 0.025 0.000 0.753 288 L CB -0.824 41.224 42.059 -0.018 0.000 0.890 288 L HN 0.269 nan 8.230 nan 0.000 0.432 289 R N -0.746 119.757 120.500 0.005 0.000 2.091 289 R HA -0.212 4.128 4.340 0.001 0.000 0.238 289 R C 2.493 178.872 176.300 0.133 0.000 1.136 289 R CA 1.787 57.898 56.100 0.018 0.000 0.959 289 R CB -0.909 29.318 30.300 -0.122 0.000 0.856 289 R HN 0.488 nan 8.270 nan 0.000 0.437 290 C N 0.861 120.240 119.300 0.132 0.000 2.413 290 C HA -0.107 4.353 4.460 0.001 0.000 0.278 290 C C 2.356 177.530 174.990 0.308 0.000 1.224 290 C CA 0.677 59.856 59.018 0.267 0.000 1.732 290 C CB -0.919 26.936 27.740 0.192 0.000 2.050 290 C HN 0.362 nan 8.230 nan 0.000 0.463 291 L N 1.051 122.424 121.223 0.250 0.000 2.450 291 L HA 0.145 4.485 4.340 0.001 0.000 0.224 291 L C 2.215 179.338 176.870 0.421 0.000 1.149 291 L CA 2.058 57.084 54.840 0.310 0.000 0.816 291 L CB -1.495 40.759 42.059 0.325 0.000 0.932 291 L HN 0.743 nan 8.230 nan 0.000 0.449 292 G N -1.348 107.666 108.800 0.357 0.000 2.201 292 G HA2 -0.235 3.726 3.960 0.001 0.000 0.212 292 G HA3 -0.235 3.726 3.960 0.001 0.000 0.212 292 G C 0.443 175.485 174.900 0.236 0.000 0.994 292 G CA -0.083 45.239 45.100 0.371 0.000 0.644 292 G HN 0.274 nan 8.290 nan 0.000 0.508 293 I N 2.774 123.410 120.570 0.111 0.000 2.363 293 I HA 0.258 4.428 4.170 0.001 0.000 0.292 293 I C -2.008 174.110 176.117 0.001 0.000 1.075 293 I CA -2.008 59.251 61.300 -0.069 0.000 1.333 293 I CB 1.070 38.937 38.000 -0.222 0.000 1.415 293 I HN -0.154 nan 8.210 nan 0.000 0.502 294 P HA -0.026 nan 4.420 nan 0.000 0.256 294 P C -0.804 176.567 177.300 0.117 0.000 1.173 294 P CA 0.700 63.836 63.100 0.060 0.000 0.768 294 P CB 0.323 32.019 31.700 -0.007 0.000 0.758 295 T N 4.203 118.816 114.554 0.098 0.000 2.909 295 T HA 0.652 5.003 4.350 0.001 0.000 0.299 295 T C -0.521 174.160 174.700 -0.030 0.000 1.073 295 T CA -0.960 61.173 62.100 0.055 0.000 0.999 295 T CB 1.704 70.556 68.868 -0.027 0.000 1.098 295 T HN 0.371 nan 8.240 nan 0.000 0.477 296 R N 0.188 120.611 120.500 -0.128 0.000 2.564 296 R HA 0.733 5.074 4.340 0.001 0.000 0.284 296 R C -1.144 175.041 176.300 -0.192 0.000 1.031 296 R CA -0.915 55.083 56.100 -0.171 0.000 0.904 296 R CB 1.352 31.499 30.300 -0.254 0.000 1.199 296 R HN 0.482 nan 8.270 nan 0.000 0.443 297 V N 3.704 123.529 119.914 -0.148 0.000 2.530 297 V HA 0.403 4.524 4.120 0.001 0.000 0.282 297 V C -0.510 175.471 176.094 -0.189 0.000 1.048 297 V CA -0.018 62.197 62.300 -0.140 0.000 0.997 297 V CB 1.261 33.037 31.823 -0.077 0.000 0.987 297 V HN 0.621 nan 8.190 nan 0.000 0.477 298 V N 5.330 125.042 119.914 -0.336 0.000 2.769 298 V HA 0.590 4.710 4.120 0.001 0.000 0.312 298 V C 0.285 175.993 176.094 -0.644 0.000 1.058 298 V CA -0.435 61.577 62.300 -0.481 0.000 0.952 298 V CB 2.336 33.784 31.823 -0.625 0.000 1.019 298 V HN 1.015 nan 8.190 nan 0.000 0.445 299 T N 3.034 117.256 114.554 -0.554 0.000 2.841 299 T HA 0.452 4.803 4.350 0.001 0.000 0.283 299 T C -0.668 173.642 174.700 -0.650 0.000 1.000 299 T CA -0.507 61.241 62.100 -0.587 0.000 0.977 299 T CB 1.261 69.862 68.868 -0.444 0.000 0.979 299 T HN 0.710 nan 8.240 nan 0.000 0.446 300 N N 1.502 119.812 118.700 -0.650 0.000 2.399 300 N HA 0.394 5.134 4.740 0.001 0.000 0.284 300 N C -1.741 173.635 175.510 -0.223 0.000 1.025 300 N CA -0.555 52.254 53.050 -0.402 0.000 0.885 300 N CB 0.677 38.942 38.487 -0.369 0.000 1.339 300 N HN 0.455 nan 8.380 nan 0.000 0.487 301 Y N 2.177 122.507 120.300 0.049 0.000 2.310 301 Y HA 0.313 4.864 4.550 0.001 0.000 0.326 301 Y C 0.613 176.612 175.900 0.165 0.000 1.151 301 Y CA -0.403 57.790 58.100 0.156 0.000 1.195 301 Y CB 0.893 39.406 38.460 0.088 0.000 1.210 301 Y HN 0.565 nan 8.280 nan 0.000 0.483 302 N N 0.777 119.681 118.700 0.340 0.000 2.708 302 N HA -0.218 4.523 4.740 0.001 0.000 0.255 302 N C -0.723 174.930 175.510 0.239 0.000 1.046 302 N CA 0.642 53.851 53.050 0.266 0.000 0.715 302 N CB -1.023 37.592 38.487 0.214 0.000 0.895 302 N HN 0.453 nan 8.380 nan 0.000 0.545 303 S N -0.352 115.513 115.700 0.275 0.000 2.489 303 S HA 0.579 5.049 4.470 0.001 0.000 0.277 303 S C 0.743 175.457 174.600 0.190 0.000 1.230 303 S CA -0.097 58.248 58.200 0.241 0.000 1.053 303 S CB 0.718 64.096 63.200 0.297 0.000 0.955 303 S HN 0.402 nan 8.310 nan 0.000 0.488 304 A N 4.604 127.505 122.820 0.135 0.000 3.118 304 A HA 0.260 4.581 4.320 0.001 0.000 0.256 304 A C 0.128 177.713 177.584 0.001 0.000 1.667 304 A CA -0.202 51.894 52.037 0.099 0.000 1.338 304 A CB -0.817 18.232 19.000 0.081 0.000 1.127 304 A HN 0.948 nan 8.150 nan 0.000 0.634 305 H N -0.275 118.600 119.070 -0.324 0.000 2.546 305 H HA 0.320 4.877 4.556 0.001 0.000 0.365 305 H C 0.895 175.950 175.328 -0.454 0.000 1.220 305 H CA 1.119 56.767 56.048 -0.666 0.000 1.386 305 H CB 0.715 29.489 29.762 -1.648 0.000 1.510 305 H HN 0.626 nan 8.280 nan 0.000 0.591 306 D N -0.616 119.060 120.400 -1.206 0.000 2.758 306 D HA -0.226 4.415 4.640 0.001 0.000 0.191 306 D C -0.282 175.853 176.300 -0.276 0.000 1.036 306 D CA 1.310 54.881 54.000 -0.715 0.000 1.030 306 D CB -0.457 40.127 40.800 -0.360 0.000 1.109 306 D HN 0.517 nan 8.370 nan 0.000 0.430 307 Q N 0.025 119.731 119.800 -0.157 0.000 2.479 307 Q HA 0.047 4.387 4.340 0.001 0.000 0.267 307 Q C 1.194 177.212 176.000 0.030 0.000 1.071 307 Q CA 0.169 55.954 55.803 -0.030 0.000 0.935 307 Q CB 0.163 28.902 28.738 0.001 0.000 1.295 307 Q HN 0.342 nan 8.270 nan 0.000 0.476 308 N N 0.135 118.873 118.700 0.063 0.000 2.609 308 N HA -0.131 4.609 4.740 0.001 0.000 0.190 308 N C 0.190 175.825 175.510 0.209 0.000 1.157 308 N CA 0.945 54.089 53.050 0.156 0.000 0.918 308 N CB 0.285 38.820 38.487 0.079 0.000 0.978 308 N HN 0.586 nan 8.380 nan 0.000 0.448 309 S N -0.859 114.909 115.700 0.114 0.000 2.042 309 S HA -0.147 4.324 4.470 0.001 0.000 0.252 309 S C -0.794 173.773 174.600 -0.056 0.000 1.373 309 S CA -0.185 57.996 58.200 -0.032 0.000 1.133 309 S CB -2.049 60.855 63.200 -0.493 0.000 1.435 309 S HN 0.523 nan 8.310 nan 0.000 0.649 310 N N 3.344 122.030 118.700 -0.023 0.000 2.386 310 N HA 0.119 4.860 4.740 0.001 0.000 0.273 310 N C 0.892 176.398 175.510 -0.007 0.000 1.331 310 N CA 0.131 53.170 53.050 -0.018 0.000 0.891 310 N CB 0.342 38.825 38.487 -0.008 0.000 1.139 310 N HN 0.282 nan 8.380 nan 0.000 0.487 311 L N 1.902 123.125 121.223 -0.000 0.000 2.700 311 L HA 0.097 4.437 4.340 0.001 0.000 0.240 311 L C 0.258 177.189 176.870 0.102 0.000 1.162 311 L CA 0.878 55.720 54.840 0.002 0.000 0.874 311 L CB -1.360 40.699 42.059 0.001 0.000 1.001 311 L HN 0.578 nan 8.230 nan 0.000 0.447 312 L N -0.020 121.236 121.223 0.055 0.000 2.470 312 L HA 0.532 4.872 4.340 0.001 0.000 0.268 312 L C -1.142 175.722 176.870 -0.010 0.000 0.964 312 L CA -0.324 54.542 54.840 0.042 0.000 0.839 312 L CB 2.377 44.465 42.059 0.047 0.000 1.276 312 L HN -0.163 nan 8.230 nan 0.000 0.403 313 I N 3.713 124.250 120.570 -0.055 0.000 2.545 313 I HA 0.453 4.623 4.170 0.001 0.000 0.292 313 I C -0.787 175.171 176.117 -0.265 0.000 1.040 313 I CA -0.502 60.691 61.300 -0.177 0.000 1.068 313 I CB 2.228 40.094 38.000 -0.224 0.000 1.251 313 I HN 0.574 nan 8.210 nan 0.000 0.424 314 E N 4.942 124.952 120.200 -0.318 0.000 2.222 314 E HA 0.542 4.893 4.350 0.001 0.000 0.267 314 E C -1.771 174.517 176.600 -0.520 0.000 0.884 314 E CA -0.710 55.517 56.400 -0.288 0.000 0.764 314 E CB 2.477 32.197 29.700 0.033 0.000 1.169 314 E HN 0.382 nan 8.360 nan 0.000 0.413 315 Y N 1.193 121.308 120.300 -0.308 0.000 2.462 315 Y HA 0.481 5.032 4.550 0.001 0.000 0.346 315 Y C -0.754 174.836 175.900 -0.518 0.000 0.976 315 Y CA -1.055 56.907 58.100 -0.231 0.000 1.044 315 Y CB 1.434 39.844 38.460 -0.084 0.000 1.230 315 Y HN 0.410 nan 8.280 nan 0.000 0.455 316 F N 2.261 122.402 119.950 0.318 0.000 2.477 316 F HA 0.631 5.159 4.527 0.001 0.000 0.335 316 F C -0.222 175.677 175.800 0.165 0.000 1.130 316 F CA -1.019 57.121 58.000 0.233 0.000 0.948 316 F CB 1.452 40.538 39.000 0.142 0.000 1.154 316 F HN 0.246 nan 8.300 nan 0.000 0.439 317 R N 2.202 122.842 120.500 0.233 0.000 2.711 317 R HA 0.426 4.766 4.340 0.001 0.000 0.284 317 R C -0.090 176.294 176.300 0.140 0.000 0.968 317 R CA -1.210 54.984 56.100 0.156 0.000 0.924 317 R CB 1.449 31.806 30.300 0.096 0.000 1.162 317 R HN 0.665 nan 8.270 nan 0.000 0.465 318 N N 1.687 120.472 118.700 0.141 0.000 2.262 318 N HA -0.116 4.625 4.740 0.001 0.000 0.260 318 N C 0.315 175.919 175.510 0.156 0.000 1.305 318 N CA -0.194 52.946 53.050 0.151 0.000 0.913 318 N CB 0.326 38.913 38.487 0.167 0.000 1.116 318 N HN 0.659 nan 8.380 nan 0.000 0.512 319 E N -0.692 119.626 120.200 0.197 0.000 2.352 319 E HA -0.035 4.315 4.350 0.001 0.000 0.197 319 E C -0.476 176.013 176.600 -0.184 0.000 1.224 319 E CA 0.201 56.638 56.400 0.061 0.000 1.118 319 E CB -0.877 28.844 29.700 0.035 0.000 1.198 319 E HN 0.556 nan 8.360 nan 0.000 0.454 320 F N -0.813 119.118 119.950 -0.031 0.000 2.915 320 F HA 0.339 4.867 4.527 0.001 0.000 0.347 320 F C 1.577 177.365 175.800 -0.021 0.000 1.104 320 F CA 0.001 57.956 58.000 -0.074 0.000 1.126 320 F CB 1.067 40.001 39.000 -0.110 0.000 1.145 320 F HN 0.231 nan 8.300 nan 0.000 0.541 321 G N 1.261 110.134 108.800 0.121 0.000 2.168 321 G HA2 -0.358 3.602 3.960 0.001 0.000 0.263 321 G HA3 -0.358 3.602 3.960 0.001 0.000 0.263 321 G C 0.231 175.185 174.900 0.089 0.000 0.977 321 G CA 0.390 45.539 45.100 0.082 0.000 0.659 321 G HN 0.438 nan 8.290 nan 0.000 0.533 322 E N 0.559 120.836 120.200 0.129 0.000 2.070 322 E HA 0.444 4.794 4.350 0.001 0.000 0.282 322 E C 0.723 177.369 176.600 0.077 0.000 1.104 322 E CA -1.064 55.391 56.400 0.092 0.000 0.876 322 E CB -0.016 29.741 29.700 0.095 0.000 1.055 322 E HN 0.220 nan 8.360 nan 0.000 0.401 323 I N 5.320 125.914 120.570 0.040 0.000 3.352 323 I HA -0.183 3.987 4.170 0.001 0.000 0.289 323 I C 1.441 177.620 176.117 0.103 0.000 1.203 323 I CA 0.739 62.075 61.300 0.060 0.000 1.454 323 I CB -0.276 37.708 38.000 -0.027 0.000 1.519 323 I HN 0.721 nan 8.210 nan 0.000 0.628 324 Q N 4.769 124.654 119.800 0.142 0.000 2.170 324 Q HA -0.062 4.279 4.340 0.001 0.000 0.203 324 Q C 1.951 178.039 176.000 0.147 0.000 0.976 324 Q CA 1.482 57.363 55.803 0.130 0.000 0.858 324 Q CB -0.262 28.562 28.738 0.143 0.000 0.907 324 Q HN 0.820 nan 8.270 nan 0.000 0.433 325 G N 0.923 109.857 108.800 0.224 0.000 4.023 325 G HA2 -0.337 3.624 3.960 0.001 0.000 0.346 325 G HA3 -0.337 3.624 3.960 0.001 0.000 0.346 325 G C -0.076 174.917 174.900 0.156 0.000 0.853 325 G CA 0.920 46.170 45.100 0.250 0.000 0.712 325 G HN 0.662 nan 8.290 nan 0.000 1.461 326 D N -3.154 117.335 120.400 0.148 0.000 10.578 326 D HA -0.141 4.499 4.640 0.001 0.000 0.322 326 D C 0.654 177.010 176.300 0.093 0.000 3.165 326 D CA 0.613 54.671 54.000 0.097 0.000 2.763 326 D CB -0.736 40.104 40.800 0.066 0.000 1.264 326 D HN 0.532 nan 8.370 nan 0.000 0.958 327 K N -1.517 118.924 120.400 0.068 0.000 3.580 327 K HA -0.225 4.095 4.320 0.001 0.000 0.288 327 K C 0.121 176.765 176.600 0.074 0.000 1.160 327 K CA 1.715 58.036 56.287 0.057 0.000 1.053 327 K CB -1.770 30.757 32.500 0.045 0.000 1.362 327 K HN 0.485 nan 8.250 nan 0.000 0.436 328 S N 0.902 116.671 115.700 0.115 0.000 2.525 328 S HA 0.252 4.723 4.470 0.001 0.000 0.278 328 S C -0.363 174.347 174.600 0.183 0.000 1.234 328 S CA -0.465 57.826 58.200 0.152 0.000 1.058 328 S CB 1.525 64.860 63.200 0.226 0.000 0.983 328 S HN 0.218 nan 8.310 nan 0.000 0.495 329 E N 3.762 124.068 120.200 0.176 0.000 2.313 329 E HA 0.252 4.603 4.350 0.001 0.000 0.276 329 E C -0.194 176.590 176.600 0.307 0.000 1.031 329 E CA -0.417 56.097 56.400 0.190 0.000 0.857 329 E CB 0.454 30.247 29.700 0.155 0.000 1.040 329 E HN 0.488 nan 8.360 nan 0.000 0.408 330 M N 3.241 122.970 119.600 0.215 0.000 2.247 330 M HA 0.239 4.720 4.480 0.001 0.000 0.326 330 M C 0.090 176.555 176.300 0.275 0.000 1.134 330 M CA -0.691 54.706 55.300 0.161 0.000 1.136 330 M CB 0.292 32.887 32.600 -0.009 0.000 1.454 330 M HN 0.467 nan 8.290 nan 0.000 0.467 331 I N 1.403 122.118 120.570 0.241 0.000 2.496 331 I HA -0.003 4.168 4.170 0.001 0.000 0.285 331 I C -0.316 175.997 176.117 0.327 0.000 1.080 331 I CA -0.403 61.084 61.300 0.311 0.000 1.404 331 I CB 0.024 38.166 38.000 0.236 0.000 1.403 331 I HN 0.548 nan 8.210 nan 0.000 0.539 332 W N 5.952 127.287 121.300 0.057 0.000 2.210 332 W HA 0.140 4.800 4.660 0.001 0.000 0.330 332 W C 1.501 178.059 176.519 0.065 0.000 1.334 332 W CA -0.223 57.127 57.345 0.009 0.000 1.227 332 W CB -0.362 29.109 29.460 0.018 0.000 1.178 332 W HN 0.483 nan 8.180 nan 0.000 0.560 333 N N 1.675 120.483 118.700 0.180 0.000 2.104 333 N HA -0.094 4.646 4.740 0.001 0.000 0.190 333 N C -0.293 175.473 175.510 0.428 0.000 1.024 333 N CA 1.637 54.844 53.050 0.263 0.000 0.853 333 N CB -0.266 38.352 38.487 0.218 0.000 1.008 333 N HN 0.312 nan 8.380 nan 0.000 0.424 334 F N -3.120 117.037 119.950 0.346 0.000 2.690 334 F HA 0.518 5.046 4.527 0.001 0.000 0.311 334 F C -1.144 174.947 175.800 0.485 0.000 1.111 334 F CA -1.407 56.684 58.000 0.152 0.000 1.003 334 F CB 0.724 39.553 39.000 -0.285 0.000 1.283 334 F HN -0.121 nan 8.300 nan 0.000 0.442 335 H N 1.578 120.886 119.070 0.397 0.000 2.768 335 H HA 0.847 5.404 4.556 0.001 0.000 0.371 335 H C -1.668 173.746 175.328 0.143 0.000 1.151 335 H CA -1.109 55.162 56.048 0.372 0.000 1.165 335 H CB 2.067 31.851 29.762 0.037 0.000 1.722 335 H HN 1.087 nan 8.280 nan 0.000 0.543 336 C N 4.078 123.137 119.300 -0.402 0.000 2.561 336 C HA 0.720 5.180 4.460 0.001 0.000 0.319 336 C C -1.059 173.663 174.990 -0.447 0.000 1.198 336 C CA -0.557 58.178 59.018 -0.472 0.000 1.665 336 C CB -0.556 27.106 27.740 -0.130 0.000 2.258 336 C HN 0.922 nan 8.230 nan 0.000 0.493 337 W N 1.220 122.322 121.300 -0.331 0.000 2.961 337 W HA 0.794 5.454 4.660 0.001 0.000 0.368 337 W C -0.992 175.445 176.519 -0.137 0.000 1.213 337 W CA -0.965 56.255 57.345 -0.210 0.000 1.173 337 W CB -0.249 29.106 29.460 -0.175 0.000 1.487 337 W HN 0.682 nan 8.180 nan 0.000 0.585 338 V N -1.296 118.769 119.914 0.252 0.000 3.166 338 V HA 0.812 4.933 4.120 0.001 0.000 0.317 338 V C -0.898 175.329 176.094 0.222 0.000 1.136 338 V CA -1.166 61.192 62.300 0.097 0.000 1.035 338 V CB 1.880 33.712 31.823 0.015 0.000 1.110 338 V HN 0.742 nan 8.190 nan 0.000 0.450 339 E N 0.604 120.849 120.200 0.076 0.000 2.272 339 E HA 0.658 5.009 4.350 0.001 0.000 0.269 339 E C -1.405 175.348 176.600 0.255 0.000 0.877 339 E CA -0.628 55.861 56.400 0.150 0.000 0.755 339 E CB 2.319 31.987 29.700 -0.054 0.000 1.192 339 E HN 0.759 nan 8.360 nan 0.000 0.422 340 S N 1.771 117.677 115.700 0.343 0.000 2.521 340 S HA 0.294 4.765 4.470 0.001 0.000 0.295 340 S C -1.426 173.297 174.600 0.206 0.000 1.098 340 S CA -0.811 57.555 58.200 0.277 0.000 0.999 340 S CB 1.146 64.385 63.200 0.065 0.000 1.034 340 S HN 0.458 nan 8.310 nan 0.000 0.483 341 W N 7.147 128.305 121.300 -0.236 0.000 2.358 341 W HA 0.552 5.212 4.660 0.001 0.000 0.307 341 W C -0.813 175.494 176.519 -0.353 0.000 1.203 341 W CA -0.432 56.566 57.345 -0.579 0.000 1.279 341 W CB 0.328 29.239 29.460 -0.915 0.000 1.264 341 W HN 0.758 nan 8.180 nan 0.000 0.474 342 M N 3.934 123.091 119.600 -0.739 0.000 2.790 342 M HA 0.286 4.767 4.480 0.001 0.000 0.272 342 M C -1.215 174.767 176.300 -0.530 0.000 1.168 342 M CA -0.727 54.261 55.300 -0.521 0.000 0.829 342 M CB 1.928 34.345 32.600 -0.305 0.000 1.675 342 M HN 0.085 nan 8.290 nan 0.000 0.505 343 T N 0.391 114.744 114.554 -0.335 0.000 2.899 343 T HA 0.523 4.874 4.350 0.001 0.000 0.284 343 T C -0.332 174.282 174.700 -0.142 0.000 1.004 343 T CA -0.488 61.467 62.100 -0.242 0.000 1.043 343 T CB 0.688 69.470 68.868 -0.144 0.000 1.013 343 T HN 0.691 nan 8.240 nan 0.000 0.518 344 R N 4.038 124.486 120.500 -0.087 0.000 2.860 344 R HA 0.223 4.564 4.340 0.001 0.000 0.282 344 R C -2.389 173.920 176.300 0.014 0.000 1.408 344 R CA -1.624 54.465 56.100 -0.018 0.000 1.636 344 R CB 0.877 31.190 30.300 0.021 0.000 1.187 344 R HN 0.473 nan 8.270 nan 0.000 0.611 345 P HA -0.005 nan 4.420 nan 0.000 0.261 345 P C -0.627 176.696 177.300 0.040 0.000 1.650 345 P CA 0.637 63.750 63.100 0.021 0.000 0.846 345 P CB -0.112 31.600 31.700 0.021 0.000 1.758 346 D N -2.950 117.483 120.400 0.054 0.000 2.583 346 D HA 0.130 4.771 4.640 0.001 0.000 0.282 346 D C -0.133 176.211 176.300 0.072 0.000 1.485 346 D CA -0.109 53.933 54.000 0.069 0.000 0.834 346 D CB -0.340 40.522 40.800 0.104 0.000 1.258 346 D HN 0.055 nan 8.370 nan 0.000 0.470 347 L N 1.095 122.361 121.223 0.073 0.000 2.424 347 L HA 0.383 4.723 4.340 0.001 0.000 0.258 347 L C -0.502 176.410 176.870 0.071 0.000 0.995 347 L CA -1.349 53.550 54.840 0.099 0.000 0.821 347 L CB 2.130 44.293 42.059 0.174 0.000 1.383 347 L HN -0.019 nan 8.230 nan 0.000 0.410 348 Q N 0.651 120.488 119.800 0.061 0.000 2.348 348 Q HA 0.116 4.457 4.340 0.001 0.000 0.280 348 Q C -2.485 173.453 176.000 -0.103 0.000 1.239 348 Q CA -1.230 54.560 55.803 -0.021 0.000 0.967 348 Q CB -0.816 27.901 28.738 -0.033 0.000 1.307 348 Q HN 0.210 nan 8.270 nan 0.000 0.441 349 P HA -0.124 nan 4.420 nan 0.000 0.268 349 P C 0.753 177.931 177.300 -0.203 0.000 1.140 349 P CA 2.184 65.222 63.100 -0.103 0.000 0.751 349 P CB 0.012 31.669 31.700 -0.073 0.000 0.740 350 G N 0.987 109.681 108.800 -0.177 0.000 2.205 350 G HA2 -0.229 3.731 3.960 0.001 0.000 0.180 350 G HA3 -0.229 3.731 3.960 0.001 0.000 0.180 350 G C 0.059 174.846 174.900 -0.188 0.000 1.004 350 G CA -0.509 44.458 45.100 -0.223 0.000 0.670 350 G HN 0.458 nan 8.290 nan 0.000 0.496 351 Y N 1.994 122.253 120.300 -0.068 0.000 2.720 351 Y HA 0.485 5.036 4.550 0.001 0.000 0.277 351 Y C 0.709 176.521 175.900 -0.148 0.000 1.144 351 Y CA -1.098 56.951 58.100 -0.085 0.000 1.221 351 Y CB 0.104 38.530 38.460 -0.057 0.000 1.163 351 Y HN 0.320 nan 8.280 nan 0.000 0.537 352 E N -0.422 119.742 120.200 -0.061 0.000 2.349 352 E HA 0.614 4.965 4.350 0.001 0.000 0.265 352 E C 1.010 177.336 176.600 -0.458 0.000 1.064 352 E CA 0.311 56.552 56.400 -0.265 0.000 0.886 352 E CB 0.979 30.512 29.700 -0.279 0.000 1.036 352 E HN 0.309 nan 8.360 nan 0.000 0.413 353 G N 0.335 108.598 108.800 -0.895 0.000 2.301 353 G HA2 -0.170 3.791 3.960 0.001 0.000 0.194 353 G HA3 -0.170 3.791 3.960 0.001 0.000 0.194 353 G C -1.478 172.944 174.900 -0.796 0.000 1.266 353 G CA -0.869 43.412 45.100 -1.365 0.000 1.210 353 G HN 0.453 nan 8.290 nan 0.000 0.524 354 W N 2.535 123.768 121.300 -0.111 0.000 2.446 354 W HA 0.548 5.208 4.660 0.001 0.000 0.316 354 W C 0.347 176.813 176.519 -0.089 0.000 1.376 354 W CA -0.363 56.984 57.345 0.005 0.000 1.300 354 W CB 0.809 30.311 29.460 0.071 0.000 1.351 354 W HN 0.251 nan 8.180 nan 0.000 0.530 355 Q N 3.061 122.963 119.800 0.169 0.000 2.290 355 Q HA 0.474 4.814 4.340 0.001 0.000 0.259 355 Q C -0.152 175.910 176.000 0.104 0.000 0.941 355 Q CA -0.619 55.216 55.803 0.054 0.000 0.912 355 Q CB 1.678 30.403 28.738 -0.022 0.000 1.244 355 Q HN 0.527 nan 8.270 nan 0.000 0.441 356 A N 4.367 127.219 122.820 0.052 0.000 2.302 356 A HA 0.512 4.832 4.320 0.001 0.000 0.295 356 A C -0.412 177.158 177.584 -0.023 0.000 1.235 356 A CA -0.346 51.729 52.037 0.063 0.000 0.876 356 A CB 0.052 19.034 19.000 -0.030 0.000 1.133 356 A HN 0.707 nan 8.150 nan 0.000 0.533 357 L N 3.009 124.257 121.223 0.042 0.000 2.313 357 L HA 0.371 4.711 4.340 0.001 0.000 0.283 357 L C -0.453 176.433 176.870 0.026 0.000 1.013 357 L CA -0.541 54.294 54.840 -0.007 0.000 0.816 357 L CB 1.767 43.822 42.059 -0.007 0.000 1.236 357 L HN 0.697 nan 8.230 nan 0.000 0.419 358 D N 5.898 126.275 120.400 -0.039 0.000 2.414 358 D HA 0.252 4.893 4.640 0.001 0.000 0.232 358 D C -2.081 174.214 176.300 -0.007 0.000 1.070 358 D CA -1.592 52.428 54.000 0.033 0.000 0.839 358 D CB 2.390 43.183 40.800 -0.012 0.000 1.079 358 D HN 0.242 nan 8.370 nan 0.000 0.521 359 P HA 0.083 nan 4.420 nan 0.000 0.255 359 P C -0.209 177.076 177.300 -0.025 0.000 1.301 359 P CA -0.076 62.996 63.100 -0.046 0.000 0.817 359 P CB 0.122 31.815 31.700 -0.011 0.000 1.259 360 T N 2.684 117.320 114.554 0.137 0.000 2.756 360 T HA 0.381 4.731 4.350 0.001 0.000 0.290 360 T C -2.647 172.106 174.700 0.089 0.000 0.985 360 T CA -1.768 60.498 62.100 0.276 0.000 0.955 360 T CB 1.048 70.234 68.868 0.530 0.000 0.930 360 T HN -0.031 nan 8.240 nan 0.000 0.451 361 P HA 0.201 nan 4.420 nan 0.000 0.271 361 P C -0.744 176.518 177.300 -0.063 0.000 1.216 361 P CA -0.374 62.675 63.100 -0.085 0.000 0.776 361 P CB 0.341 32.001 31.700 -0.068 0.000 0.881 362 Q N 0.515 120.200 119.800 -0.191 0.000 2.315 362 Q HA 0.357 4.697 4.340 0.001 0.000 0.273 362 Q C -0.716 175.106 176.000 -0.296 0.000 1.053 362 Q CA -1.021 54.589 55.803 -0.322 0.000 0.817 362 Q CB 1.718 30.097 28.738 -0.598 0.000 1.326 362 Q HN 0.271 nan 8.270 nan 0.000 0.423 363 E N 2.862 122.931 120.200 -0.218 0.000 2.606 363 E HA -0.035 4.316 4.350 0.001 0.000 0.248 363 E C -0.887 175.637 176.600 -0.126 0.000 1.005 363 E CA 0.690 57.014 56.400 -0.127 0.000 0.946 363 E CB 0.475 30.126 29.700 -0.081 0.000 0.928 363 E HN 0.480 nan 8.360 nan 0.000 0.494 364 K N 1.066 121.419 120.400 -0.078 0.000 2.416 364 K HA 0.175 4.496 4.320 0.001 0.000 0.244 364 K C 1.110 177.819 176.600 0.182 0.000 1.044 364 K CA -0.225 56.103 56.287 0.069 0.000 0.972 364 K CB 0.644 33.143 32.500 -0.002 0.000 1.286 364 K HN 0.422 nan 8.250 nan 0.000 0.500 365 S N 0.016 115.893 115.700 0.295 0.000 2.805 365 S HA -0.060 4.411 4.470 0.001 0.000 0.230 365 S C 0.302 174.954 174.600 0.087 0.000 0.968 365 S CA 0.823 59.107 58.200 0.140 0.000 0.976 365 S CB -0.602 62.649 63.200 0.084 0.000 0.787 365 S HN 0.619 nan 8.310 nan 0.000 0.533 366 E N -0.866 119.384 120.200 0.084 0.000 3.383 366 E HA 0.333 4.683 4.350 0.001 0.000 0.256 366 E C 0.998 177.622 176.600 0.040 0.000 1.197 366 E CA 0.177 56.609 56.400 0.053 0.000 1.851 366 E CB -0.061 29.671 29.700 0.054 0.000 2.128 366 E HN 0.400 nan 8.360 nan 0.000 0.951 367 G N 0.245 109.070 108.800 0.043 0.000 3.255 367 G HA2 0.388 4.348 3.960 0.001 0.000 0.161 367 G HA3 0.388 4.348 3.960 0.001 0.000 0.161 367 G C -1.024 173.888 174.900 0.021 0.000 1.173 367 G CA -0.045 45.074 45.100 0.030 0.000 1.106 367 G HN -0.036 nan 8.290 nan 0.000 0.650 368 T N 0.735 115.312 114.554 0.038 0.000 3.133 368 T HA 0.559 4.909 4.350 0.001 0.000 0.368 368 T C -1.728 173.039 174.700 0.111 0.000 1.190 368 T CA -0.091 62.028 62.100 0.032 0.000 1.282 368 T CB 0.660 69.540 68.868 0.020 0.000 1.042 368 T HN 0.432 nan 8.240 nan 0.000 0.536 369 Y N 1.618 121.867 120.300 -0.085 0.000 2.805 369 Y HA 0.696 5.246 4.550 0.001 0.000 0.323 369 Y C -0.050 175.784 175.900 -0.111 0.000 1.279 369 Y CA -1.710 56.346 58.100 -0.074 0.000 1.103 369 Y CB 0.887 39.319 38.460 -0.045 0.000 1.324 369 Y HN 0.700 nan 8.280 nan 0.000 0.498 370 c N -0.403 117.672 118.600 -0.874 0.000 2.380 370 c HA 0.911 5.482 4.570 0.001 0.000 0.393 370 c C -0.091 173.795 174.090 -0.340 0.000 1.284 370 c CA -1.018 54.979 56.329 -0.554 0.000 2.033 370 c CB 0.374 42.555 42.510 -0.548 0.000 2.165 370 c HN 0.802 nan 8.230 nan 0.000 0.540 371 C N -0.207 118.968 119.300 -0.208 0.000 2.710 371 C HA 1.025 5.486 4.460 0.001 0.000 0.367 371 C C 0.794 175.755 174.990 -0.048 0.000 1.315 371 C CA 0.763 59.738 59.018 -0.071 0.000 1.764 371 C CB 0.376 28.078 27.740 -0.063 0.000 2.182 371 C HN 2.024 nan 8.230 nan 0.000 0.491 372 G N 1.466 110.284 108.800 0.029 0.000 2.795 372 G HA2 -0.025 3.935 3.960 0.001 0.000 0.664 372 G HA3 -0.025 3.935 3.960 0.001 0.000 0.664 372 G C -3.199 171.664 174.900 -0.062 0.000 1.381 372 G CA -0.765 44.340 45.100 0.008 0.000 0.853 372 G HN 0.659 nan 8.290 nan 0.000 0.545 373 P HA 0.504 nan 4.420 nan 0.000 0.280 373 P C -0.518 176.814 177.300 0.053 0.000 1.244 373 P CA -0.213 62.847 63.100 -0.067 0.000 0.784 373 P CB 1.904 33.534 31.700 -0.116 0.000 0.913 374 V N 4.896 124.821 119.914 0.018 0.000 2.709 374 V HA 0.462 4.582 4.120 0.001 0.000 0.308 374 V C -2.672 173.368 176.094 -0.090 0.000 1.062 374 V CA -3.006 59.290 62.300 -0.006 0.000 0.901 374 V CB 2.312 34.121 31.823 -0.022 0.000 1.003 374 V HN 0.342 nan 8.190 nan 0.000 0.425 375 P HA 0.121 nan 4.420 nan 0.000 0.267 375 P C 0.763 177.927 177.300 -0.227 0.000 1.205 375 P CA 0.182 63.152 63.100 -0.216 0.000 0.765 375 P CB 1.066 32.521 31.700 -0.408 0.000 0.828 376 V N 4.318 124.130 119.914 -0.170 0.000 2.358 376 V HA -0.198 3.922 4.120 0.001 0.000 0.246 376 V C 2.436 178.383 176.094 -0.244 0.000 1.047 376 V CA 1.494 63.613 62.300 -0.302 0.000 1.035 376 V CB -0.890 30.725 31.823 -0.346 0.000 0.658 376 V HN 0.651 nan 8.190 nan 0.000 0.452 377 R N 0.353 120.786 120.500 -0.113 0.000 2.170 377 R HA -0.187 4.153 4.340 0.001 0.000 0.242 377 R C 2.173 178.475 176.300 0.004 0.000 1.145 377 R CA 1.696 57.794 56.100 -0.003 0.000 0.984 377 R CB -0.502 29.891 30.300 0.154 0.000 0.869 377 R HN 0.538 nan 8.270 nan 0.000 0.455 378 A N 0.937 123.630 122.820 -0.212 0.000 1.872 378 A HA -0.079 4.242 4.320 0.001 0.000 0.214 378 A C 2.033 179.573 177.584 -0.075 0.000 1.187 378 A CA 0.926 52.786 52.037 -0.294 0.000 0.614 378 A CB -0.305 18.314 19.000 -0.635 0.000 0.826 378 A HN 0.202 nan 8.150 nan 0.000 0.442 379 I N 0.034 120.557 120.570 -0.080 0.000 2.567 379 I HA -0.168 4.003 4.170 0.001 0.000 0.257 379 I C 2.188 178.410 176.117 0.175 0.000 1.184 379 I CA 1.634 62.987 61.300 0.089 0.000 1.451 379 I CB -1.052 36.942 38.000 -0.011 0.000 1.089 379 I HN 0.448 nan 8.210 nan 0.000 0.441 380 K N 0.846 121.267 120.400 0.035 0.000 2.186 380 K HA -0.081 4.239 4.320 0.001 0.000 0.202 380 K C 1.834 178.552 176.600 0.198 0.000 1.052 380 K CA 0.662 56.960 56.287 0.019 0.000 0.965 380 K CB 0.343 32.726 32.500 -0.194 0.000 0.746 380 K HN 0.111 nan 8.250 nan 0.000 0.457 381 E N -0.505 119.829 120.200 0.223 0.000 2.158 381 E HA -0.018 4.333 4.350 0.001 0.000 0.191 381 E C 1.136 177.872 176.600 0.228 0.000 0.982 381 E CA 1.113 57.683 56.400 0.283 0.000 0.823 381 E CB 0.395 30.239 29.700 0.239 0.000 0.766 381 E HN 0.559 nan 8.360 nan 0.000 0.468 382 G N 2.197 111.110 108.800 0.188 0.000 2.148 382 G HA2 -0.235 3.726 3.960 0.001 0.000 0.203 382 G HA3 -0.235 3.726 3.960 0.001 0.000 0.203 382 G C 0.098 174.933 174.900 -0.110 0.000 0.993 382 G CA 0.193 45.292 45.100 -0.002 0.000 0.661 382 G HN 0.242 nan 8.290 nan 0.000 0.518 383 D N 0.844 121.234 120.400 -0.017 0.000 2.848 383 D HA 0.320 4.960 4.640 0.001 0.000 0.232 383 D C 2.042 178.283 176.300 -0.098 0.000 1.107 383 D CA -0.395 53.594 54.000 -0.018 0.000 1.020 383 D CB -0.343 40.510 40.800 0.089 0.000 1.148 383 D HN 0.159 nan 8.370 nan 0.000 0.453 384 L N 0.376 121.493 121.223 -0.176 0.000 2.556 384 L HA -0.123 4.218 4.340 0.001 0.000 0.230 384 L C 2.157 178.942 176.870 -0.142 0.000 1.163 384 L CA 1.126 55.846 54.840 -0.200 0.000 0.819 384 L CB -0.493 41.393 42.059 -0.289 0.000 0.939 384 L HN 0.153 nan 8.230 nan 0.000 0.452 385 S N -2.059 113.578 115.700 -0.106 0.000 2.558 385 S HA 0.051 4.522 4.470 0.001 0.000 0.217 385 S C 0.921 175.468 174.600 -0.089 0.000 0.975 385 S CA 0.039 58.186 58.200 -0.088 0.000 0.912 385 S CB -0.182 62.983 63.200 -0.058 0.000 0.776 385 S HN 0.421 nan 8.310 nan 0.000 0.526 386 T N 3.691 118.185 114.554 -0.099 0.000 2.928 386 T HA 0.070 4.420 4.350 0.001 0.000 0.305 386 T C 0.334 174.943 174.700 -0.152 0.000 1.035 386 T CA -0.030 61.999 62.100 -0.119 0.000 1.145 386 T CB 0.316 69.044 68.868 -0.233 0.000 0.963 386 T HN 0.010 nan 8.240 nan 0.000 0.545 387 K N 2.695 122.979 120.400 -0.193 0.000 2.524 387 K HA -0.006 4.315 4.320 0.001 0.000 0.279 387 K C -0.562 175.808 176.600 -0.383 0.000 0.993 387 K CA 0.512 56.538 56.287 -0.435 0.000 1.030 387 K CB -0.163 31.962 32.500 -0.625 0.000 0.891 387 K HN 0.742 nan 8.250 nan 0.000 0.488 388 Y N 0.673 120.974 120.300 0.002 0.000 3.001 388 Y HA -0.186 4.364 4.550 0.001 0.000 0.103 388 Y C 0.023 175.940 175.900 0.029 0.000 2.298 388 Y CA 0.143 58.255 58.100 0.020 0.000 1.132 388 Y CB -2.289 36.176 38.460 0.007 0.000 1.766 388 Y HN 0.936 nan 8.280 nan 0.000 0.315 389 D N -1.706 118.782 120.400 0.147 0.000 2.811 389 D HA -0.306 4.334 4.640 0.001 0.000 0.231 389 D C 1.473 177.848 176.300 0.125 0.000 1.157 389 D CA 0.932 55.062 54.000 0.216 0.000 0.716 389 D CB -0.874 40.108 40.800 0.303 0.000 1.077 389 D HN 0.735 nan 8.370 nan 0.000 0.428 390 A N 0.163 122.994 122.820 0.017 0.000 1.927 390 A HA -0.153 4.167 4.320 0.001 0.000 0.220 390 A C -0.073 177.505 177.584 -0.010 0.000 1.185 390 A CA 1.918 53.943 52.037 -0.020 0.000 0.639 390 A CB -1.173 17.778 19.000 -0.081 0.000 0.820 390 A HN 0.310 nan 8.150 nan 0.000 0.451 391 P HA -0.142 nan 4.420 nan 0.000 0.215 391 P C 1.023 178.240 177.300 -0.139 0.000 1.153 391 P CA 1.133 64.121 63.100 -0.187 0.000 0.853 391 P CB -0.163 31.318 31.700 -0.365 0.000 0.788 392 F N -0.777 119.168 119.950 -0.007 0.000 2.060 392 F HA -0.152 4.376 4.527 0.001 0.000 0.295 392 F C 2.349 178.125 175.800 -0.039 0.000 1.120 392 F CA 1.159 59.140 58.000 -0.031 0.000 1.205 392 F CB -1.648 37.316 39.000 -0.059 0.000 0.986 392 F HN -0.308 nan 8.300 nan 0.000 0.470 393 V N -0.409 119.580 119.914 0.124 0.000 2.546 393 V HA -0.319 3.802 4.120 0.001 0.000 0.254 393 V C 2.109 178.242 176.094 0.065 0.000 1.076 393 V CA 1.655 63.932 62.300 -0.038 0.000 1.087 393 V CB -0.994 30.766 31.823 -0.106 0.000 0.674 393 V HN 0.288 nan 8.190 nan 0.000 0.470 394 F N 1.365 121.304 119.950 -0.019 0.000 2.128 394 F HA -0.013 4.514 4.527 0.001 0.000 0.295 394 F C 2.305 178.093 175.800 -0.021 0.000 1.100 394 F CA 1.370 59.367 58.000 -0.004 0.000 1.260 394 F CB -0.393 38.580 39.000 -0.045 0.000 1.009 394 F HN 0.077 nan 8.300 nan 0.000 0.476 395 A N -0.616 122.255 122.820 0.085 0.000 2.066 395 A HA -0.135 4.186 4.320 0.001 0.000 0.218 395 A C 1.948 179.524 177.584 -0.012 0.000 1.157 395 A CA 1.444 53.471 52.037 -0.017 0.000 0.670 395 A CB -0.750 18.262 19.000 0.021 0.000 0.804 395 A HN 0.434 nan 8.150 nan 0.000 0.453 396 E N -0.341 119.877 120.200 0.030 0.000 2.153 396 E HA -0.112 4.239 4.350 0.001 0.000 0.194 396 E C 1.502 178.163 176.600 0.102 0.000 0.988 396 E CA 1.719 58.164 56.400 0.074 0.000 0.811 396 E CB -0.063 29.653 29.700 0.027 0.000 0.746 396 E HN 0.287 nan 8.360 nan 0.000 0.466 397 V N 0.308 120.239 119.914 0.030 0.000 3.570 397 V HA 0.136 4.256 4.120 0.001 0.000 0.257 397 V C 0.833 176.886 176.094 -0.069 0.000 1.272 397 V CA 0.645 62.963 62.300 0.029 0.000 1.079 397 V CB 0.104 31.979 31.823 0.087 0.000 0.829 397 V HN 0.209 nan 8.190 nan 0.000 0.454 398 N N 0.574 119.125 118.700 -0.248 0.000 2.200 398 N HA 0.318 5.059 4.740 0.001 0.000 0.224 398 N C 0.585 175.944 175.510 -0.251 0.000 1.179 398 N CA 0.316 53.187 53.050 -0.299 0.000 0.877 398 N CB 1.160 39.212 38.487 -0.725 0.000 1.072 398 N HN 0.384 nan 8.380 nan 0.000 0.519 399 A N 0.744 123.487 122.820 -0.129 0.000 2.536 399 A HA 0.075 4.395 4.320 0.001 0.000 0.234 399 A C 0.166 177.778 177.584 0.047 0.000 1.076 399 A CA 0.497 52.503 52.037 -0.051 0.000 0.769 399 A CB 0.288 19.294 19.000 0.009 0.000 1.020 399 A HN 0.099 nan 8.150 nan 0.000 0.508 400 D N -0.305 120.156 120.400 0.102 0.000 2.342 400 D HA 0.603 5.243 4.640 0.001 0.000 0.243 400 D C -1.135 175.193 176.300 0.047 0.000 1.019 400 D CA -0.135 53.922 54.000 0.095 0.000 0.864 400 D CB 1.787 42.651 40.800 0.106 0.000 1.315 400 D HN 0.210 nan 8.370 nan 0.000 0.468 401 V N 2.405 122.339 119.914 0.032 0.000 2.735 401 V HA 0.540 4.660 4.120 0.001 0.000 0.310 401 V C -0.376 175.694 176.094 -0.040 0.000 1.061 401 V CA -0.828 61.486 62.300 0.023 0.000 0.913 401 V CB 2.130 34.031 31.823 0.130 0.000 1.005 401 V HN 0.401 nan 8.190 nan 0.000 0.428 402 V N 2.697 122.546 119.914 -0.107 0.000 2.531 402 V HA 0.462 4.583 4.120 0.001 0.000 0.301 402 V C -0.889 175.008 176.094 -0.329 0.000 1.034 402 V CA -0.607 61.528 62.300 -0.275 0.000 0.865 402 V CB 2.059 33.652 31.823 -0.384 0.000 0.995 402 V HN 0.866 nan 8.190 nan 0.000 0.424 403 D N 4.271 124.466 120.400 -0.340 0.000 2.412 403 D HA 0.269 4.910 4.640 0.001 0.000 0.224 403 D C -0.864 175.218 176.300 -0.363 0.000 1.093 403 D CA -0.083 53.777 54.000 -0.233 0.000 0.850 403 D CB 1.351 42.098 40.800 -0.087 0.000 1.046 403 D HN 0.438 nan 8.370 nan 0.000 0.507 404 W N 2.427 123.592 121.300 -0.225 0.000 2.376 404 W HA 0.454 5.115 4.660 0.001 0.000 0.322 404 W C 0.503 176.967 176.519 -0.093 0.000 1.160 404 W CA -0.636 56.608 57.345 -0.169 0.000 1.218 404 W CB 1.158 30.474 29.460 -0.240 0.000 1.205 404 W HN 0.109 nan 8.180 nan 0.000 0.559 405 I N 2.691 123.351 120.570 0.150 0.000 2.389 405 I HA 0.135 4.306 4.170 0.001 0.000 0.288 405 I C 0.004 176.112 176.117 -0.015 0.000 0.999 405 I CA -1.093 60.175 61.300 -0.054 0.000 1.129 405 I CB 1.315 39.041 38.000 -0.457 0.000 1.288 405 I HN 0.300 nan 8.210 nan 0.000 0.444 406 Q N 4.606 124.447 119.800 0.067 0.000 2.274 406 Q HA 0.024 4.365 4.340 0.001 0.000 0.280 406 Q C -0.428 175.588 176.000 0.026 0.000 1.047 406 Q CA 0.052 55.898 55.803 0.072 0.000 0.907 406 Q CB 0.798 29.590 28.738 0.090 0.000 1.171 406 Q HN 0.380 nan 8.270 nan 0.000 0.381 407 Q N 1.861 121.688 119.800 0.045 0.000 2.279 407 Q HA 0.040 4.380 4.340 0.001 0.000 0.256 407 Q C -0.781 175.255 176.000 0.060 0.000 0.937 407 Q CA -0.066 55.777 55.803 0.067 0.000 0.933 407 Q CB 0.820 29.617 28.738 0.098 0.000 1.189 407 Q HN 0.390 nan 8.270 nan 0.000 0.417 408 D N 3.249 123.690 120.400 0.068 0.000 2.826 408 D HA 0.013 4.653 4.640 0.001 0.000 0.247 408 D C -0.670 175.659 176.300 0.049 0.000 1.238 408 D CA 0.404 54.440 54.000 0.059 0.000 0.894 408 D CB -0.348 40.492 40.800 0.067 0.000 1.100 408 D HN 0.593 nan 8.370 nan 0.000 0.453 409 D N -2.556 117.871 120.400 0.044 0.000 3.941 409 D HA 0.313 4.953 4.640 0.001 0.000 0.254 409 D C 0.719 177.036 176.300 0.029 0.000 1.536 409 D CA -0.340 53.681 54.000 0.036 0.000 0.788 409 D CB -0.225 40.602 40.800 0.044 0.000 1.432 409 D HN 0.157 nan 8.370 nan 0.000 0.733 410 G N 0.285 109.096 108.800 0.018 0.000 2.204 410 G HA2 0.277 4.237 3.960 0.001 0.000 0.153 410 G HA3 0.277 4.237 3.960 0.001 0.000 0.153 410 G C -0.222 174.672 174.900 -0.009 0.000 1.295 410 G CA -0.128 44.973 45.100 0.002 0.000 1.257 410 G HN 0.983 nan 8.290 nan 0.000 0.495 411 S N -0.192 115.498 115.700 -0.017 0.000 2.617 411 S HA 0.630 5.101 4.470 0.001 0.000 0.259 411 S C 0.829 175.429 174.600 -0.001 0.000 1.301 411 S CA 0.437 58.610 58.200 -0.045 0.000 0.984 411 S CB 0.986 64.138 63.200 -0.080 0.000 0.954 411 S HN 2.059 nan 8.310 nan 0.000 0.572 412 V N -0.637 119.265 119.914 -0.020 0.000 2.863 412 V HA 0.533 4.654 4.120 0.001 0.000 0.307 412 V C -0.027 176.178 176.094 0.187 0.000 1.061 412 V CA -0.742 61.617 62.300 0.099 0.000 1.024 412 V CB 0.828 32.762 31.823 0.184 0.000 1.049 412 V HN 0.981 nan 8.190 nan 0.000 0.471 413 H N 1.952 121.145 119.070 0.206 0.000 2.547 413 H HA 0.404 4.960 4.556 0.001 0.000 0.342 413 H C -0.365 175.149 175.328 0.309 0.000 1.048 413 H CA -0.705 55.497 56.048 0.258 0.000 1.204 413 H CB 1.776 31.599 29.762 0.102 0.000 1.493 413 H HN 0.925 nan 8.280 nan 0.000 0.511 414 K N 2.763 123.444 120.400 0.470 0.000 2.451 414 K HA 0.098 4.419 4.320 0.001 0.000 0.280 414 K C -0.228 176.368 176.600 -0.007 0.000 1.020 414 K CA -0.034 56.133 56.287 -0.200 0.000 1.008 414 K CB 0.415 32.624 32.500 -0.485 0.000 0.917 414 K HN 0.639 nan 8.250 nan 0.000 0.478 415 S N 4.036 119.649 115.700 -0.144 0.000 2.621 415 S HA 0.497 4.968 4.470 0.001 0.000 0.302 415 S C -0.023 174.536 174.600 -0.068 0.000 1.093 415 S CA -1.068 57.123 58.200 -0.015 0.000 1.017 415 S CB 0.942 64.154 63.200 0.020 0.000 1.077 415 S HN 0.535 nan 8.310 nan 0.000 0.517 416 I N 2.503 123.062 120.570 -0.018 0.000 2.312 416 I HA 0.306 4.477 4.170 0.001 0.000 0.291 416 I C -0.115 175.988 176.117 -0.023 0.000 1.031 416 I CA -0.342 60.939 61.300 -0.031 0.000 1.293 416 I CB 0.706 38.695 38.000 -0.019 0.000 1.403 416 I HN 0.714 nan 8.210 nan 0.000 0.484 417 N N 6.008 124.689 118.700 -0.030 0.000 2.844 417 N HA 0.222 4.963 4.740 0.001 0.000 0.268 417 N C 0.540 176.051 175.510 0.001 0.000 1.574 417 N CA -0.482 52.561 53.050 -0.012 0.000 0.838 417 N CB 0.495 38.972 38.487 -0.017 0.000 1.177 417 N HN 0.352 nan 8.380 nan 0.000 0.495 418 R N -0.303 120.201 120.500 0.007 0.000 2.339 418 R HA 0.002 4.342 4.340 0.001 0.000 0.199 418 R C 0.842 177.160 176.300 0.029 0.000 1.018 418 R CA 0.854 56.965 56.100 0.018 0.000 1.036 418 R CB -0.018 30.293 30.300 0.018 0.000 0.899 418 R HN 0.459 nan 8.270 nan 0.000 0.473 419 S N -0.249 115.469 115.700 0.031 0.000 2.597 419 S HA 0.146 4.616 4.470 0.001 0.000 0.224 419 S C 0.474 175.102 174.600 0.047 0.000 0.955 419 S CA -0.430 57.794 58.200 0.040 0.000 0.933 419 S CB 0.123 63.349 63.200 0.042 0.000 0.788 419 S HN 0.191 nan 8.310 nan 0.000 0.488 420 L N 1.253 122.505 121.223 0.048 0.000 2.365 420 L HA 0.725 5.065 4.340 0.001 0.000 0.273 420 L C -1.715 175.197 176.870 0.070 0.000 1.000 420 L CA -1.145 53.733 54.840 0.063 0.000 0.819 420 L CB 1.745 43.841 42.059 0.061 0.000 1.284 420 L HN 0.233 nan 8.230 nan 0.000 0.418 421 I N 5.014 125.636 120.570 0.087 0.000 2.586 421 I HA 0.270 4.441 4.170 0.001 0.000 0.288 421 I C -0.769 175.414 176.117 0.110 0.000 1.147 421 I CA -0.784 60.571 61.300 0.091 0.000 1.047 421 I CB 2.157 40.207 38.000 0.083 0.000 1.244 421 I HN 0.175 nan 8.210 nan 0.000 0.429 422 V N 4.746 124.725 119.914 0.108 0.000 2.432 422 V HA 0.604 4.725 4.120 0.001 0.000 0.271 422 V C 0.848 177.005 176.094 0.105 0.000 1.046 422 V CA -0.002 62.367 62.300 0.115 0.000 0.945 422 V CB 0.710 32.591 31.823 0.097 0.000 0.992 422 V HN 1.099 nan 8.190 nan 0.000 0.471 423 G N 4.576 113.447 108.800 0.119 0.000 2.956 423 G HA2 -0.093 3.868 3.960 0.001 0.000 0.263 423 G HA3 -0.093 3.868 3.960 0.001 0.000 0.263 423 G C -1.129 173.825 174.900 0.090 0.000 1.090 423 G CA -0.658 44.499 45.100 0.095 0.000 1.185 423 G HN 0.488 nan 8.290 nan 0.000 0.566 424 L N 1.053 122.351 121.223 0.125 0.000 2.333 424 L HA 0.725 5.065 4.340 0.001 0.000 0.269 424 L C 1.203 178.145 176.870 0.120 0.000 1.010 424 L CA -1.078 53.828 54.840 0.111 0.000 0.818 424 L CB 1.420 43.556 42.059 0.128 0.000 1.306 424 L HN 0.369 nan 8.230 nan 0.000 0.430 425 K N 2.417 122.828 120.400 0.018 0.000 3.196 425 K HA -0.219 4.101 4.320 0.001 0.000 0.261 425 K C -0.151 176.463 176.600 0.022 0.000 0.872 425 K CA 0.690 56.955 56.287 -0.037 0.000 0.645 425 K CB -1.850 30.519 32.500 -0.218 0.000 1.433 425 K HN 0.485 nan 8.250 nan 0.000 0.471 426 I N 1.761 122.309 120.570 -0.037 0.000 2.978 426 I HA -0.177 3.994 4.170 0.001 0.000 0.293 426 I C 0.947 176.940 176.117 -0.206 0.000 1.218 426 I CA 0.712 61.903 61.300 -0.181 0.000 1.393 426 I CB -0.227 37.574 38.000 -0.331 0.000 1.394 426 I HN 0.199 nan 8.210 nan 0.000 0.541 427 S N 3.855 119.413 115.700 -0.237 0.000 2.634 427 S HA 0.843 5.313 4.470 0.001 0.000 0.296 427 S C -0.362 174.050 174.600 -0.313 0.000 1.104 427 S CA -0.833 57.174 58.200 -0.323 0.000 0.920 427 S CB 2.621 65.532 63.200 -0.482 0.000 1.111 427 S HN 0.631 nan 8.310 nan 0.000 0.493 428 T N -0.209 114.163 114.554 -0.303 0.000 2.830 428 T HA 0.394 4.744 4.350 0.001 0.000 0.322 428 T C -1.378 173.343 174.700 0.036 0.000 1.501 428 T CA -0.797 61.264 62.100 -0.064 0.000 1.036 428 T CB 1.406 70.193 68.868 -0.135 0.000 1.379 428 T HN 0.838 nan 8.240 nan 0.000 0.493 429 K N 1.808 122.385 120.400 0.296 0.000 2.494 429 K HA 0.291 4.612 4.320 0.001 0.000 0.273 429 K C -0.056 176.603 176.600 0.099 0.000 0.970 429 K CA 0.014 56.470 56.287 0.281 0.000 0.963 429 K CB 0.216 32.826 32.500 0.184 0.000 0.913 429 K HN 0.587 nan 8.250 nan 0.000 0.502 430 S N 1.389 117.133 115.700 0.074 0.000 2.601 430 S HA 0.065 4.536 4.470 0.001 0.000 0.271 430 S C -0.578 173.987 174.600 -0.057 0.000 1.305 430 S CA -0.877 57.330 58.200 0.011 0.000 1.022 430 S CB 1.485 64.694 63.200 0.015 0.000 0.940 430 S HN 0.513 nan 8.310 nan 0.000 0.525 431 V N 3.100 122.959 119.914 -0.092 0.000 2.415 431 V HA 0.529 4.650 4.120 0.001 0.000 0.267 431 V C 1.071 177.072 176.094 -0.154 0.000 1.042 431 V CA 1.001 63.173 62.300 -0.214 0.000 1.000 431 V CB -0.473 31.209 31.823 -0.234 0.000 1.015 431 V HN 1.260 nan 8.190 nan 0.000 0.478 432 G N 5.452 114.152 108.800 -0.167 0.000 2.179 432 G HA2 -0.232 3.728 3.960 0.001 0.000 0.260 432 G HA3 -0.232 3.728 3.960 0.001 0.000 0.260 432 G C 0.307 175.163 174.900 -0.073 0.000 0.977 432 G CA 0.577 45.609 45.100 -0.113 0.000 0.641 432 G HN 0.886 nan 8.290 nan 0.000 0.533 433 R N -1.317 119.146 120.500 -0.062 0.000 2.885 433 R HA 0.571 4.911 4.340 0.001 0.000 0.260 433 R C -0.403 175.901 176.300 0.007 0.000 1.107 433 R CA -0.710 55.381 56.100 -0.016 0.000 0.978 433 R CB 0.553 30.856 30.300 0.005 0.000 1.227 433 R HN -0.040 nan 8.270 nan 0.000 0.473 434 D N 0.700 121.155 120.400 0.091 0.000 2.360 434 D HA -0.001 4.639 4.640 0.001 0.000 0.210 434 D C -0.165 176.350 176.300 0.358 0.000 1.047 434 D CA 0.559 54.716 54.000 0.262 0.000 0.854 434 D CB 0.410 41.425 40.800 0.359 0.000 0.936 434 D HN 0.292 nan 8.370 nan 0.000 0.514 435 E N 0.799 121.108 120.200 0.182 0.000 2.416 435 E HA 0.067 4.417 4.350 0.001 0.000 0.254 435 E C 0.568 177.257 176.600 0.147 0.000 1.241 435 E CA -0.319 56.158 56.400 0.128 0.000 0.969 435 E CB 1.128 30.855 29.700 0.046 0.000 0.999 435 E HN 0.070 nan 8.360 nan 0.000 0.481 436 R N 0.330 120.852 120.500 0.037 0.000 2.428 436 R HA 0.182 4.522 4.340 0.001 0.000 0.294 436 R C -0.469 175.737 176.300 -0.156 0.000 1.000 436 R CA -0.329 55.692 56.100 -0.130 0.000 0.960 436 R CB 0.995 31.061 30.300 -0.390 0.000 1.076 436 R HN 0.590 nan 8.270 nan 0.000 0.475 437 E N 3.316 123.408 120.200 -0.181 0.000 2.145 437 E HA 0.039 4.390 4.350 0.001 0.000 0.262 437 E C -1.303 175.211 176.600 -0.144 0.000 0.883 437 E CA -0.628 55.704 56.400 -0.113 0.000 0.748 437 E CB 1.151 30.824 29.700 -0.044 0.000 1.140 437 E HN 0.567 nan 8.360 nan 0.000 0.417 438 D N 5.396 125.732 120.400 -0.107 0.000 2.339 438 D HA 0.046 4.686 4.640 0.001 0.000 0.256 438 D C 0.648 176.970 176.300 0.037 0.000 1.214 438 D CA -0.130 53.822 54.000 -0.080 0.000 0.877 438 D CB 0.522 41.283 40.800 -0.065 0.000 1.111 438 D HN 0.581 nan 8.370 nan 0.000 0.478 439 I N 1.043 121.599 120.570 -0.023 0.000 3.736 439 I HA 0.140 4.310 4.170 0.001 0.000 0.338 439 I C 0.959 177.050 176.117 -0.042 0.000 1.558 439 I CA -0.614 60.669 61.300 -0.027 0.000 1.147 439 I CB 0.293 38.222 38.000 -0.119 0.000 1.275 439 I HN 0.012 nan 8.210 nan 0.000 0.454 440 T N 1.156 115.730 114.554 0.032 0.000 2.915 440 T HA -0.150 4.200 4.350 0.001 0.000 0.269 440 T C 1.862 176.615 174.700 0.088 0.000 1.071 440 T CA 1.941 64.057 62.100 0.027 0.000 1.132 440 T CB -0.538 68.350 68.868 0.033 0.000 0.878 440 T HN 0.649 nan 8.240 nan 0.000 0.479 441 H N 1.129 120.221 119.070 0.036 0.000 2.546 441 H HA 0.038 4.594 4.556 0.001 0.000 0.277 441 H C 1.976 177.310 175.328 0.009 0.000 1.004 441 H CA 1.513 57.572 56.048 0.019 0.000 1.231 441 H CB -0.791 28.977 29.762 0.010 0.000 1.382 441 H HN 0.478 nan 8.280 nan 0.000 0.580 442 T N -3.178 111.128 114.554 -0.415 0.000 3.100 442 T HA 0.004 4.354 4.350 0.001 0.000 0.253 442 T C 1.133 175.764 174.700 -0.114 0.000 1.118 442 T CA 0.070 61.999 62.100 -0.286 0.000 1.058 442 T CB -0.382 68.326 68.868 -0.266 0.000 0.953 442 T HN 0.251 nan 8.240 nan 0.000 0.515 443 Y N 1.396 121.609 120.300 -0.146 0.000 2.581 443 Y HA 0.474 5.024 4.550 0.001 0.000 0.271 443 Y C 0.736 176.585 175.900 -0.086 0.000 1.100 443 Y CA -0.421 57.638 58.100 -0.068 0.000 1.281 443 Y CB 0.704 39.166 38.460 0.003 0.000 1.237 443 Y HN 0.155 nan 8.280 nan 0.000 0.514 444 K N -0.702 119.732 120.400 0.056 0.000 2.422 444 K HA 0.391 4.711 4.320 0.001 0.000 0.251 444 K C -1.778 174.791 176.600 -0.052 0.000 0.933 444 K CA -0.878 55.416 56.287 0.013 0.000 0.798 444 K CB 1.923 34.475 32.500 0.087 0.000 1.238 444 K HN -0.221 nan 8.250 nan 0.000 0.428 445 Y N 1.377 121.680 120.300 0.004 0.000 2.300 445 Y HA 0.185 4.735 4.550 0.001 0.000 0.328 445 Y C -1.876 174.024 175.900 0.000 0.000 1.270 445 Y CA -1.753 56.347 58.100 0.001 0.000 1.352 445 Y CB 0.176 38.606 38.460 -0.049 0.000 1.286 445 Y HN 0.416 nan 8.280 nan 0.000 0.536 446 P HA -0.018 nan 4.420 nan 0.000 0.267 446 P C -0.825 176.530 177.300 0.091 0.000 1.200 446 P CA 0.068 63.240 63.100 0.119 0.000 0.772 446 P CB 0.436 32.197 31.700 0.103 0.000 0.855 447 E N 1.030 121.280 120.200 0.083 0.000 2.418 447 E HA 0.221 4.572 4.350 0.001 0.000 0.261 447 E C 1.337 177.974 176.600 0.061 0.000 1.070 447 E CA 0.681 57.131 56.400 0.083 0.000 0.931 447 E CB -0.018 29.740 29.700 0.097 0.000 0.954 447 E HN 0.737 nan 8.360 nan 0.000 0.439 448 G N 2.186 111.021 108.800 0.059 0.000 2.900 448 G HA2 -0.401 3.560 3.960 0.001 0.000 0.223 448 G HA3 -0.401 3.560 3.960 0.001 0.000 0.223 448 G C 0.576 175.486 174.900 0.018 0.000 1.293 448 G CA 0.308 45.434 45.100 0.042 0.000 0.792 448 G HN 0.884 nan 8.290 nan 0.000 0.527 449 S N 0.910 116.616 115.700 0.009 0.000 2.548 449 S HA 0.288 4.759 4.470 0.001 0.000 0.266 449 S C 1.833 176.398 174.600 -0.058 0.000 1.374 449 S CA 1.553 59.741 58.200 -0.019 0.000 0.997 449 S CB 0.899 64.092 63.200 -0.012 0.000 0.855 449 S HN 2.092 nan 8.310 nan 0.000 0.534 450 S N 0.673 116.323 115.700 -0.083 0.000 2.395 450 S HA -0.062 4.409 4.470 0.001 0.000 0.225 450 S C 1.401 175.889 174.600 -0.187 0.000 1.027 450 S CA 0.775 58.915 58.200 -0.100 0.000 0.965 450 S CB -0.830 62.321 63.200 -0.081 0.000 0.812 450 S HN 0.801 nan 8.310 nan 0.000 0.482 451 E N 1.777 121.788 120.200 -0.316 0.000 2.209 451 E HA -0.095 4.256 4.350 0.001 0.000 0.196 451 E C 1.952 178.202 176.600 -0.584 0.000 0.993 451 E CA 1.233 57.243 56.400 -0.649 0.000 0.819 451 E CB -0.277 28.665 29.700 -1.263 0.000 0.745 451 E HN 0.776 nan 8.360 nan 0.000 0.477 452 E N 0.641 120.640 120.200 -0.334 0.000 2.107 452 E HA -0.165 4.185 4.350 0.001 0.000 0.191 452 E C 2.139 178.543 176.600 -0.328 0.000 0.982 452 E CA 0.583 56.800 56.400 -0.307 0.000 0.809 452 E CB 0.096 29.660 29.700 -0.226 0.000 0.756 452 E HN 0.109 nan 8.360 nan 0.000 0.459 453 R N 0.695 121.107 120.500 -0.146 0.000 2.062 453 R HA -0.139 4.202 4.340 0.001 0.000 0.229 453 R C 2.332 178.637 176.300 0.009 0.000 1.128 453 R CA 1.786 57.879 56.100 -0.012 0.000 0.960 453 R CB -0.097 30.206 30.300 0.006 0.000 0.855 453 R HN 0.235 nan 8.270 nan 0.000 0.432 454 E N -0.472 119.696 120.200 -0.054 0.000 2.338 454 E HA -0.106 4.244 4.350 0.001 0.000 0.197 454 E C 1.546 178.155 176.600 0.015 0.000 1.007 454 E CA 0.998 57.383 56.400 -0.024 0.000 0.849 454 E CB -0.019 29.643 29.700 -0.064 0.000 0.774 454 E HN 0.374 nan 8.360 nan 0.000 0.506 455 A N 1.312 124.132 122.820 -0.000 0.000 1.878 455 A HA 0.073 4.394 4.320 0.001 0.000 0.213 455 A C 1.862 179.610 177.584 0.272 0.000 1.192 455 A CA 0.494 52.598 52.037 0.113 0.000 0.619 455 A CB -0.853 18.228 19.000 0.135 0.000 0.837 455 A HN 0.362 nan 8.150 nan 0.000 0.446 456 F N 0.526 120.608 119.950 0.219 0.000 2.722 456 F HA -0.100 4.427 4.527 0.001 0.000 0.298 456 F C 2.126 178.006 175.800 0.132 0.000 1.175 456 F CA 0.716 58.871 58.000 0.259 0.000 1.462 456 F CB 0.056 39.205 39.000 0.248 0.000 1.111 456 F HN 0.204 nan 8.300 nan 0.000 0.592 457 T N -0.991 113.713 114.554 0.249 0.000 3.010 457 T HA -0.009 4.341 4.350 0.001 0.000 0.252 457 T C 1.891 176.634 174.700 0.071 0.000 1.047 457 T CA 0.279 62.458 62.100 0.131 0.000 1.140 457 T CB 0.007 68.926 68.868 0.085 0.000 0.885 457 T HN 0.121 nan 8.240 nan 0.000 0.464 458 R N 1.604 122.139 120.500 0.058 0.000 2.328 458 R HA 0.231 4.571 4.340 0.001 0.000 0.207 458 R C 1.683 177.946 176.300 -0.062 0.000 1.056 458 R CA 0.654 56.756 56.100 0.004 0.000 1.016 458 R CB -0.323 29.985 30.300 0.013 0.000 0.872 458 R HN 0.359 nan 8.270 nan 0.000 0.471 459 A N 0.619 123.408 122.820 -0.052 0.000 2.469 459 A HA 0.122 4.443 4.320 0.001 0.000 0.245 459 A C 0.161 177.715 177.584 -0.049 0.000 1.221 459 A CA -0.401 51.523 52.037 -0.189 0.000 0.946 459 A CB 0.240 18.938 19.000 -0.504 0.000 1.049 459 A HN 0.231 nan 8.150 nan 0.000 0.529 460 N N -0.250 118.470 118.700 0.033 0.000 2.714 460 N HA -0.234 4.506 4.740 0.001 0.000 0.250 460 N C 0.047 175.612 175.510 0.090 0.000 1.117 460 N CA 1.343 54.420 53.050 0.045 0.000 0.719 460 N CB -1.633 36.857 38.487 0.005 0.000 1.081 460 N HN 0.789 nan 8.380 nan 0.000 0.557 461 H N 0.437 119.516 119.070 0.014 0.000 2.550 461 H HA 0.351 4.907 4.556 0.001 0.000 0.304 461 H C 0.965 176.238 175.328 -0.091 0.000 1.086 461 H CA -0.206 55.807 56.048 -0.059 0.000 1.089 461 H CB -0.296 29.425 29.762 -0.068 0.000 1.528 461 H HN 0.239 nan 8.280 nan 0.000 0.539 462 L N 1.074 122.266 121.223 -0.052 0.000 2.930 462 L HA 0.058 4.398 4.340 0.001 0.000 0.250 462 L C -0.184 176.605 176.870 -0.135 0.000 1.320 462 L CA -0.019 54.800 54.840 -0.035 0.000 1.163 462 L CB -0.492 41.592 42.059 0.042 0.000 1.542 462 L HN 0.347 nan 8.230 nan 0.000 0.428 463 N N 2.813 121.307 118.700 -0.345 0.000 2.955 463 N HA 0.191 4.931 4.740 0.001 0.000 0.242 463 N C -0.441 174.902 175.510 -0.277 0.000 1.123 463 N CA -0.198 52.685 53.050 -0.277 0.000 0.949 463 N CB 0.651 38.958 38.487 -0.299 0.000 1.214 463 N HN 0.339 nan 8.380 nan 0.000 0.504 464 K N -0.019 120.305 120.400 -0.127 0.000 2.800 464 K HA 0.188 4.508 4.320 0.001 0.000 0.275 464 K C -1.280 175.322 176.600 0.003 0.000 1.294 464 K CA -0.477 55.778 56.287 -0.053 0.000 1.014 464 K CB 0.332 32.833 32.500 0.002 0.000 1.380 464 K HN -0.013 nan 8.250 nan 0.000 0.543 465 L N 2.297 123.517 121.223 -0.005 0.000 2.839 465 L HA 0.424 4.764 4.340 0.001 0.000 0.259 465 L C 0.224 177.099 176.870 0.008 0.000 1.369 465 L CA -0.268 54.577 54.840 0.009 0.000 0.845 465 L CB 0.343 42.406 42.059 0.007 0.000 1.181 465 L HN 0.848 nan 8.230 nan 0.000 0.529 466 A N 0.756 123.584 122.820 0.013 0.000 2.627 466 A HA -0.152 4.168 4.320 0.001 0.000 0.227 466 A C 0.867 178.456 177.584 0.009 0.000 1.068 466 A CA 0.682 52.725 52.037 0.011 0.000 0.825 466 A CB -0.013 19.000 19.000 0.022 0.000 0.938 466 A HN 0.595 nan 8.150 nan 0.000 0.488 467 E N 0.973 121.176 120.200 0.004 0.000 2.232 467 E HA 0.040 4.390 4.350 0.001 0.000 0.296 467 E C 0.712 177.319 176.600 0.012 0.000 1.372 467 E CA -0.334 56.070 56.400 0.007 0.000 1.527 467 E CB 0.160 29.860 29.700 -0.000 0.000 1.424 467 E HN 0.560 nan 8.360 nan 0.000 0.485 468 K N 1.866 122.276 120.400 0.017 0.000 2.633 468 K HA -0.146 4.175 4.320 0.001 0.000 0.193 468 K C 1.286 177.899 176.600 0.021 0.000 1.033 468 K CA 0.722 57.022 56.287 0.020 0.000 0.980 468 K CB 0.268 32.782 32.500 0.023 0.000 0.800 468 K HN 0.388 nan 8.250 nan 0.000 0.493 469 E N 0.915 121.127 120.200 0.020 0.000 2.162 469 E HA -0.100 4.250 4.350 0.001 0.000 0.193 469 E C 0.251 176.863 176.600 0.019 0.000 0.953 469 E CA 0.664 57.077 56.400 0.022 0.000 0.849 469 E CB -0.453 29.262 29.700 0.024 0.000 0.810 469 E HN 0.386 nan 8.360 nan 0.000 0.470 470 E N 0.923 121.130 120.200 0.012 0.000 5.391 470 E HA -0.276 4.074 4.350 0.001 0.000 0.186 470 E C 0.005 176.604 176.600 -0.003 0.000 1.508 470 E CA 1.636 58.036 56.400 -0.000 0.000 2.573 470 E CB -1.609 28.087 29.700 -0.006 0.000 2.040 470 E HN 0.304 nan 8.360 nan 0.000 0.432 471 T N -2.681 111.855 114.554 -0.030 0.000 3.374 471 T HA 0.556 4.907 4.350 0.001 0.000 0.267 471 T C 1.129 175.801 174.700 -0.048 0.000 0.996 471 T CA 0.459 62.538 62.100 -0.034 0.000 0.977 471 T CB -0.308 68.516 68.868 -0.074 0.000 1.149 471 T HN 1.753 nan 8.240 nan 0.000 0.517 472 G N 1.612 110.404 108.800 -0.013 0.000 2.155 472 G HA2 -0.233 3.728 3.960 0.001 0.000 0.257 472 G HA3 -0.233 3.728 3.960 0.001 0.000 0.257 472 G C -0.098 174.780 174.900 -0.037 0.000 0.983 472 G CA 0.588 45.691 45.100 0.005 0.000 0.676 472 G HN 0.647 nan 8.290 nan 0.000 0.528 473 M N -0.386 119.162 119.600 -0.086 0.000 2.518 473 M HA 0.689 5.170 4.480 0.001 0.000 0.300 473 M C -0.217 176.047 176.300 -0.060 0.000 1.175 473 M CA -0.253 54.987 55.300 -0.100 0.000 0.890 473 M CB 2.543 35.015 32.600 -0.212 0.000 1.710 473 M HN 0.648 nan 8.290 nan 0.000 0.453 474 A N 2.797 125.596 122.820 -0.034 0.000 2.515 474 A HA 0.992 5.313 4.320 0.001 0.000 0.296 474 A C -1.588 175.998 177.584 0.003 0.000 1.094 474 A CA -0.707 51.326 52.037 -0.006 0.000 0.718 474 A CB 2.564 21.577 19.000 0.022 0.000 1.307 474 A HN 0.936 nan 8.150 nan 0.000 0.408 475 M N 1.576 121.188 119.600 0.021 0.000 2.413 475 M HA 0.633 5.113 4.480 0.001 0.000 0.287 475 M C -1.462 174.877 176.300 0.065 0.000 1.186 475 M CA -0.408 54.917 55.300 0.041 0.000 0.927 475 M CB 1.959 34.568 32.600 0.015 0.000 1.715 475 M HN 0.975 nan 8.290 nan 0.000 0.478 476 R N 3.602 124.164 120.500 0.102 0.000 2.710 476 R HA 0.616 4.957 4.340 0.001 0.000 0.270 476 R C -1.783 174.593 176.300 0.126 0.000 1.021 476 R CA -1.004 55.154 56.100 0.097 0.000 0.889 476 R CB 1.203 31.555 30.300 0.086 0.000 1.243 476 R HN 0.542 nan 8.270 nan 0.000 0.464 477 I N 2.297 122.931 120.570 0.107 0.000 2.331 477 I HA 0.400 4.571 4.170 0.001 0.000 0.292 477 I C 0.305 176.499 176.117 0.129 0.000 0.998 477 I CA -0.635 60.742 61.300 0.128 0.000 1.267 477 I CB 0.995 39.058 38.000 0.104 0.000 1.386 477 I HN 0.522 nan 8.210 nan 0.000 0.476 478 R N 4.124 124.735 120.500 0.184 0.000 2.664 478 R HA 0.517 4.857 4.340 0.001 0.000 0.286 478 R C 0.733 177.197 176.300 0.274 0.000 0.967 478 R CA -0.611 55.586 56.100 0.162 0.000 0.933 478 R CB 2.435 32.784 30.300 0.081 0.000 1.146 478 R HN 0.569 nan 8.270 nan 0.000 0.468 479 V N -1.213 118.814 119.914 0.188 0.000 3.643 479 V HA 0.349 4.470 4.120 0.001 0.000 0.280 479 V C 1.001 177.239 176.094 0.240 0.000 1.351 479 V CA 0.862 63.283 62.300 0.202 0.000 1.073 479 V CB 0.005 31.855 31.823 0.045 0.000 0.863 479 V HN 1.118 nan 8.190 nan 0.000 0.436 480 G N 1.319 110.216 108.800 0.162 0.000 4.766 480 G HA2 -0.330 3.631 3.960 0.001 0.000 0.314 480 G HA3 -0.330 3.631 3.960 0.001 0.000 0.314 480 G C 0.339 175.263 174.900 0.041 0.000 1.427 480 G CA 0.912 46.063 45.100 0.084 0.000 1.024 480 G HN 1.174 nan 8.290 nan 0.000 0.754 481 Q N 0.802 120.631 119.800 0.048 0.000 3.022 481 Q HA 0.672 5.013 4.340 0.001 0.000 0.313 481 Q C -0.061 175.900 176.000 -0.065 0.000 1.018 481 Q CA 0.307 56.111 55.803 0.002 0.000 0.799 481 Q CB 0.912 29.656 28.738 0.010 0.000 1.498 481 Q HN 1.098 nan 8.270 nan 0.000 0.494 482 S N 1.399 117.044 115.700 -0.093 0.000 2.533 482 S HA 0.406 4.876 4.470 0.001 0.000 0.282 482 S C 0.346 174.798 174.600 -0.245 0.000 1.304 482 S CA -0.517 57.551 58.200 -0.219 0.000 1.063 482 S CB -0.212 62.910 63.200 -0.129 0.000 0.881 482 S HN 0.516 nan 8.310 nan 0.000 0.493 483 M N 3.517 122.860 119.600 -0.428 0.000 2.364 483 M HA 0.588 5.068 4.480 0.001 0.000 0.334 483 M C -1.317 174.724 176.300 -0.433 0.000 1.107 483 M CA -0.624 54.380 55.300 -0.493 0.000 0.988 483 M CB 0.701 32.613 32.600 -1.146 0.000 1.673 483 M HN 0.426 nan 8.290 nan 0.000 0.441 484 N N 2.685 121.243 118.700 -0.238 0.000 2.472 484 N HA 0.473 5.213 4.740 0.001 0.000 0.289 484 N C -0.358 175.097 175.510 -0.092 0.000 1.156 484 N CA -0.670 52.279 53.050 -0.167 0.000 0.940 484 N CB 0.878 39.312 38.487 -0.088 0.000 1.200 484 N HN 0.688 nan 8.380 nan 0.000 0.511 485 M N 1.825 121.371 119.600 -0.090 0.000 2.364 485 M HA 0.179 4.659 4.480 0.001 0.000 0.342 485 M C 0.695 177.027 176.300 0.053 0.000 1.601 485 M CA 0.714 56.028 55.300 0.024 0.000 1.156 485 M CB -1.107 31.481 32.600 -0.020 0.000 1.912 485 M HN 0.926 nan 8.290 nan 0.000 0.460 486 G N 2.868 111.754 108.800 0.145 0.000 2.227 486 G HA2 -0.171 3.790 3.960 0.001 0.000 0.168 486 G HA3 -0.171 3.790 3.960 0.001 0.000 0.168 486 G C -0.044 174.665 174.900 -0.319 0.000 1.006 486 G CA 0.248 45.161 45.100 -0.311 0.000 0.684 486 G HN 0.959 nan 8.290 nan 0.000 0.489 487 S N -0.488 115.266 115.700 0.089 0.000 2.810 487 S HA 0.818 5.289 4.470 0.001 0.000 0.315 487 S C -1.146 173.660 174.600 0.343 0.000 1.138 487 S CA -0.579 57.698 58.200 0.129 0.000 0.889 487 S CB 2.620 65.883 63.200 0.104 0.000 1.236 487 S HN 0.049 nan 8.310 nan 0.000 0.548 488 D N 0.424 120.956 120.400 0.220 0.000 2.268 488 D HA 0.767 5.407 4.640 0.001 0.000 0.249 488 D C -0.518 175.909 176.300 0.211 0.000 1.008 488 D CA 0.030 54.103 54.000 0.121 0.000 0.939 488 D CB 1.327 42.136 40.800 0.016 0.000 1.170 488 D HN 0.619 nan 8.370 nan 0.000 0.468 489 F N -1.929 118.046 119.950 0.041 0.000 2.807 489 F HA 0.422 4.950 4.527 0.001 0.000 0.316 489 F C -1.701 174.067 175.800 -0.054 0.000 1.162 489 F CA -1.124 56.876 58.000 0.001 0.000 0.910 489 F CB 1.097 40.095 39.000 -0.005 0.000 1.314 489 F HN -0.095 nan 8.300 nan 0.000 0.454 490 D N 1.338 121.807 120.400 0.115 0.000 2.342 490 D HA 0.659 5.300 4.640 0.001 0.000 0.243 490 D C -0.826 175.353 176.300 -0.202 0.000 1.019 490 D CA -0.248 53.633 54.000 -0.199 0.000 0.864 490 D CB 2.453 43.027 40.800 -0.376 0.000 1.315 490 D HN 0.728 nan 8.370 nan 0.000 0.468 491 V N -1.273 118.386 119.914 -0.426 0.000 2.914 491 V HA 0.782 4.903 4.120 0.001 0.000 0.314 491 V C -0.960 174.812 176.094 -0.537 0.000 1.084 491 V CA -0.867 61.307 62.300 -0.209 0.000 0.963 491 V CB 1.565 33.400 31.823 0.020 0.000 1.025 491 V HN 0.293 nan 8.190 nan 0.000 0.432 492 F N 0.811 120.812 119.950 0.085 0.000 2.563 492 F HA 0.859 5.386 4.527 0.001 0.000 0.316 492 F C 0.441 176.300 175.800 0.098 0.000 1.076 492 F CA -0.874 57.180 58.000 0.089 0.000 0.921 492 F CB 2.146 41.210 39.000 0.106 0.000 1.209 492 F HN 0.807 nan 8.300 nan 0.000 0.462 493 A N 1.212 124.184 122.820 0.254 0.000 2.294 493 A HA 0.411 4.732 4.320 0.001 0.000 0.316 493 A C -1.206 176.495 177.584 0.195 0.000 1.359 493 A CA -0.337 51.806 52.037 0.177 0.000 0.956 493 A CB -0.633 18.431 19.000 0.106 0.000 1.155 493 A HN 0.800 nan 8.150 nan 0.000 0.544 494 H N 2.638 121.769 119.070 0.103 0.000 2.761 494 H HA 0.517 5.074 4.556 0.001 0.000 0.284 494 H C -0.524 174.830 175.328 0.043 0.000 1.105 494 H CA -0.119 55.971 56.048 0.070 0.000 1.352 494 H CB 0.163 29.957 29.762 0.053 0.000 1.423 494 H HN 0.568 nan 8.280 nan 0.000 0.464 495 I N 4.707 125.148 120.570 -0.215 0.000 2.336 495 I HA 0.210 4.381 4.170 0.001 0.000 0.292 495 I C -0.016 175.992 176.117 -0.180 0.000 0.991 495 I CA -0.372 60.846 61.300 -0.136 0.000 1.227 495 I CB 1.602 39.542 38.000 -0.099 0.000 1.366 495 I HN 0.513 nan 8.210 nan 0.000 0.466 496 T N 4.413 118.925 114.554 -0.070 0.000 2.797 496 T HA 0.283 4.634 4.350 0.001 0.000 0.279 496 T C -0.289 174.403 174.700 -0.013 0.000 0.991 496 T CA -0.636 61.450 62.100 -0.022 0.000 0.979 496 T CB 1.082 69.980 68.868 0.049 0.000 0.943 496 T HN 0.523 nan 8.240 nan 0.000 0.444 497 N N 2.640 121.346 118.700 0.010 0.000 2.682 497 N HA 0.178 4.919 4.740 0.001 0.000 0.252 497 N C -0.916 174.622 175.510 0.047 0.000 1.081 497 N CA -0.585 52.474 53.050 0.016 0.000 0.844 497 N CB 0.434 38.935 38.487 0.024 0.000 1.167 497 N HN 0.394 nan 8.380 nan 0.000 0.523 498 N N 2.178 120.927 118.700 0.081 0.000 3.188 498 N HA 0.281 5.021 4.740 0.001 0.000 0.279 498 N C -1.376 174.161 175.510 0.046 0.000 1.213 498 N CA 0.122 53.291 53.050 0.198 0.000 1.138 498 N CB 0.205 38.826 38.487 0.224 0.000 1.417 498 N HN 0.383 nan 8.380 nan 0.000 0.526 499 T N -0.594 113.740 114.554 -0.366 0.000 2.868 499 T HA 0.472 4.822 4.350 0.001 0.000 0.306 499 T C 0.901 174.995 174.700 -1.009 0.000 1.224 499 T CA -0.348 61.471 62.100 -0.468 0.000 1.012 499 T CB 1.455 70.291 68.868 -0.054 0.000 1.221 499 T HN 0.175 nan 8.240 nan 0.000 0.499 500 A N 0.748 123.173 122.820 -0.659 0.000 1.969 500 A HA 0.075 4.396 4.320 0.001 0.000 0.218 500 A C 0.909 178.269 177.584 -0.374 0.000 1.169 500 A CA 0.977 52.724 52.037 -0.484 0.000 0.635 500 A CB -0.274 18.631 19.000 -0.159 0.000 0.810 500 A HN 0.712 nan 8.150 nan 0.000 0.445 501 E N 1.083 121.051 120.200 -0.387 0.000 2.413 501 E HA 0.122 4.473 4.350 0.001 0.000 0.263 501 E C -0.266 176.021 176.600 -0.520 0.000 1.015 501 E CA 0.133 56.218 56.400 -0.525 0.000 0.916 501 E CB 0.335 29.506 29.700 -0.881 0.000 0.947 501 E HN 0.728 nan 8.360 nan 0.000 0.440 502 E N 2.663 122.612 120.200 -0.418 0.000 2.561 502 E HA 0.187 4.537 4.350 0.001 0.000 0.225 502 E C -0.819 175.662 176.600 -0.197 0.000 1.035 502 E CA -0.570 55.692 56.400 -0.230 0.000 0.904 502 E CB -0.106 29.514 29.700 -0.133 0.000 1.291 502 E HN 0.281 nan 8.360 nan 0.000 0.444 503 Y N 0.871 121.120 120.300 -0.085 0.000 2.469 503 Y HA 0.121 4.671 4.550 0.001 0.000 0.353 503 Y C 0.800 176.661 175.900 -0.066 0.000 1.269 503 Y CA -0.515 57.539 58.100 -0.077 0.000 1.504 503 Y CB 0.529 38.938 38.460 -0.086 0.000 1.369 503 Y HN 0.311 nan 8.280 nan 0.000 0.654 504 V N -1.143 118.847 119.914 0.127 0.000 2.524 504 V HA 0.597 4.717 4.120 0.001 0.000 0.297 504 V C -0.656 175.448 176.094 0.016 0.000 1.035 504 V CA -1.239 61.087 62.300 0.042 0.000 0.867 504 V CB 0.322 32.154 31.823 0.013 0.000 1.004 504 V HN 0.897 nan 8.190 nan 0.000 0.426 505 C N 3.479 122.770 119.300 -0.015 0.000 2.857 505 C HA 0.814 5.274 4.460 0.001 0.000 0.397 505 C C 0.150 175.100 174.990 -0.065 0.000 1.558 505 C CA -0.924 58.056 59.018 -0.062 0.000 1.694 505 C CB 1.994 29.678 27.740 -0.092 0.000 2.120 505 C HN 0.962 nan 8.230 nan 0.000 0.475 506 R N 0.616 121.056 120.500 -0.100 0.000 2.435 506 R HA 0.608 4.949 4.340 0.001 0.000 0.308 506 R C -1.543 174.690 176.300 -0.112 0.000 0.975 506 R CA -0.288 55.749 56.100 -0.104 0.000 0.867 506 R CB 1.279 31.491 30.300 -0.146 0.000 1.171 506 R HN 0.511 nan 8.270 nan 0.000 0.470 507 L N 4.468 125.654 121.223 -0.062 0.000 2.287 507 L HA 0.459 4.800 4.340 0.001 0.000 0.287 507 L C -1.433 175.437 176.870 -0.002 0.000 1.022 507 L CA -0.553 54.265 54.840 -0.036 0.000 0.814 507 L CB 1.127 43.187 42.059 0.001 0.000 1.217 507 L HN 0.406 nan 8.230 nan 0.000 0.420 508 L N 6.579 127.775 121.223 -0.045 0.000 2.287 508 L HA 0.489 4.829 4.340 0.001 0.000 0.287 508 L C -0.718 176.261 176.870 0.181 0.000 1.022 508 L CA -0.555 54.283 54.840 -0.004 0.000 0.814 508 L CB 1.205 43.036 42.059 -0.380 0.000 1.217 508 L HN 0.502 nan 8.230 nan 0.000 0.420 509 L N 3.759 125.215 121.223 0.388 0.000 2.325 509 L HA 0.524 4.864 4.340 0.001 0.000 0.281 509 L C -0.328 176.716 176.870 0.290 0.000 1.004 509 L CA -0.069 54.921 54.840 0.250 0.000 0.823 509 L CB 1.693 43.834 42.059 0.136 0.000 1.236 509 L HN 0.701 nan 8.230 nan 0.000 0.415 510 C N 3.808 123.233 119.300 0.209 0.000 2.446 510 C HA 0.916 5.376 4.460 0.001 0.000 0.329 510 C C -0.161 174.882 174.990 0.088 0.000 1.166 510 C CA -0.491 58.628 59.018 0.169 0.000 1.341 510 C CB 0.344 28.219 27.740 0.225 0.000 1.970 510 C HN 0.938 nan 8.230 nan 0.000 0.452 511 A N 6.189 129.037 122.820 0.047 0.000 2.330 511 A HA 0.975 5.296 4.320 0.001 0.000 0.327 511 A C -0.573 177.027 177.584 0.026 0.000 1.155 511 A CA -0.539 51.516 52.037 0.029 0.000 0.803 511 A CB 0.789 19.791 19.000 0.003 0.000 1.208 511 A HN 0.925 nan 8.150 nan 0.000 0.477 512 R N 0.518 121.034 120.500 0.027 0.000 2.626 512 R HA 0.482 4.823 4.340 0.001 0.000 0.274 512 R C -0.916 175.397 176.300 0.022 0.000 1.031 512 R CA -0.589 55.525 56.100 0.024 0.000 0.898 512 R CB 1.976 32.289 30.300 0.021 0.000 1.222 512 R HN 0.781 nan 8.270 nan 0.000 0.455 513 T N -0.398 114.172 114.554 0.026 0.000 2.799 513 T HA 0.371 4.721 4.350 0.001 0.000 0.296 513 T C 0.357 175.070 174.700 0.021 0.000 0.947 513 T CA -0.545 61.570 62.100 0.025 0.000 1.141 513 T CB 0.550 69.447 68.868 0.048 0.000 0.891 513 T HN 0.142 nan 8.240 nan 0.000 0.533 514 V N 3.027 122.955 119.914 0.024 0.000 2.994 514 V HA 0.708 4.828 4.120 0.001 0.000 0.318 514 V C 0.606 176.720 176.094 0.032 0.000 1.085 514 V CA -1.049 61.259 62.300 0.014 0.000 0.998 514 V CB 2.123 33.950 31.823 0.007 0.000 1.063 514 V HN 1.181 nan 8.190 nan 0.000 0.447 515 S N 0.941 116.642 115.700 0.000 0.000 2.687 515 S HA 0.350 4.820 4.470 0.001 0.000 0.283 515 S C 0.655 175.240 174.600 -0.025 0.000 1.170 515 S CA -0.170 58.050 58.200 0.032 0.000 1.008 515 S CB 0.710 63.914 63.200 0.007 0.000 1.026 515 S HN 0.931 nan 8.310 nan 0.000 0.541 516 Y N 1.601 121.849 120.300 -0.086 0.000 2.556 516 Y HA -0.087 4.463 4.550 0.001 0.000 0.290 516 Y C 0.906 176.538 175.900 -0.447 0.000 1.149 516 Y CA 1.575 59.496 58.100 -0.298 0.000 1.329 516 Y CB -0.948 37.243 38.460 -0.448 0.000 0.975 516 Y HN 0.749 nan 8.280 nan 0.000 0.561 517 N N -0.761 117.321 118.700 -1.029 0.000 2.187 517 N HA 0.319 5.059 4.740 0.001 0.000 0.212 517 N C 1.187 176.167 175.510 -0.885 0.000 1.152 517 N CA 0.347 52.504 53.050 -1.488 0.000 0.872 517 N CB 0.822 37.856 38.487 -2.422 0.000 1.025 517 N HN 0.426 nan 8.380 nan 0.000 0.514 518 G N 0.241 108.781 108.800 -0.433 0.000 2.195 518 G HA2 -0.235 3.726 3.960 0.001 0.000 0.224 518 G HA3 -0.235 3.726 3.960 0.001 0.000 0.224 518 G C -0.126 174.673 174.900 -0.168 0.000 0.990 518 G CA -0.188 44.773 45.100 -0.231 0.000 0.639 518 G HN 0.312 nan 8.290 nan 0.000 0.514 519 I N 3.003 123.457 120.570 -0.194 0.000 2.705 519 I HA 0.128 4.298 4.170 0.001 0.000 0.291 519 I C 1.020 177.100 176.117 -0.062 0.000 1.146 519 I CA 0.154 61.388 61.300 -0.110 0.000 1.383 519 I CB 0.090 38.035 38.000 -0.092 0.000 1.454 519 I HN 0.082 nan 8.210 nan 0.000 0.581 520 L N 6.695 127.890 121.223 -0.046 0.000 2.410 520 L HA 0.273 4.613 4.340 0.001 0.000 0.273 520 L C 1.164 178.026 176.870 -0.013 0.000 1.144 520 L CA -0.164 54.661 54.840 -0.024 0.000 0.863 520 L CB 0.164 42.211 42.059 -0.020 0.000 1.140 520 L HN 0.628 nan 8.230 nan 0.000 0.463 521 G N 3.619 112.417 108.800 -0.005 0.000 2.531 521 G HA2 0.539 4.499 3.960 0.001 0.000 0.281 521 G HA3 0.539 4.499 3.960 0.001 0.000 0.281 521 G C -2.627 172.272 174.900 -0.000 0.000 1.382 521 G CA -1.184 43.915 45.100 -0.002 0.000 1.045 521 G HN 0.387 nan 8.290 nan 0.000 0.533 522 P HA 0.204 nan 4.420 nan 0.000 0.269 522 P C -0.498 176.803 177.300 0.001 0.000 1.209 522 P CA -0.262 62.834 63.100 -0.006 0.000 0.776 522 P CB 0.465 32.156 31.700 -0.014 0.000 0.876 523 E N 0.946 121.146 120.200 -0.002 0.000 2.415 523 E HA 0.066 4.417 4.350 0.001 0.000 0.263 523 E C -0.091 176.506 176.600 -0.006 0.000 0.995 523 E CA -0.368 56.034 56.400 0.002 0.000 0.915 523 E CB -0.469 29.232 29.700 0.002 0.000 0.951 523 E HN 0.493 nan 8.360 nan 0.000 0.449 524 C N 1.974 121.277 119.300 0.005 0.000 2.742 524 C HA 0.818 5.279 4.460 0.001 0.000 0.283 524 C C 0.586 175.561 174.990 -0.024 0.000 1.451 524 C CA -0.132 58.892 59.018 0.010 0.000 1.785 524 C CB -1.246 26.549 27.740 0.092 0.000 2.664 524 C HN 0.894 nan 8.230 nan 0.000 0.544 525 G N 0.792 109.564 108.800 -0.047 0.000 2.169 525 G HA2 0.501 4.461 3.960 0.001 0.000 0.286 525 G HA3 0.501 4.461 3.960 0.001 0.000 0.286 525 G C -0.959 173.892 174.900 -0.082 0.000 1.742 525 G CA 0.245 45.296 45.100 -0.081 0.000 0.904 525 G HN 0.885 nan 8.290 nan 0.000 0.735 526 T N -1.242 113.228 114.554 -0.139 0.000 2.982 526 T HA 0.783 5.134 4.350 0.001 0.000 0.321 526 T C -0.934 173.563 174.700 -0.339 0.000 1.229 526 T CA -0.979 60.990 62.100 -0.219 0.000 1.044 526 T CB 2.688 71.372 68.868 -0.307 0.000 1.184 526 T HN 0.814 nan 8.240 nan 0.000 0.477 527 K N 1.907 122.108 120.400 -0.332 0.000 2.513 527 K HA 0.534 4.854 4.320 0.001 0.000 0.251 527 K C -1.966 174.604 176.600 -0.050 0.000 0.939 527 K CA -0.872 55.271 56.287 -0.240 0.000 0.793 527 K CB 1.977 34.429 32.500 -0.079 0.000 1.241 527 K HN 0.858 nan 8.250 nan 0.000 0.431 528 Y N 4.848 125.178 120.300 0.051 0.000 2.329 528 Y HA 0.378 4.929 4.550 0.001 0.000 0.328 528 Y C -0.553 175.363 175.900 0.027 0.000 0.992 528 Y CA -1.275 56.857 58.100 0.054 0.000 1.151 528 Y CB 1.727 40.257 38.460 0.117 0.000 1.150 528 Y HN 0.202 nan 8.280 nan 0.000 0.450 529 L N 5.070 126.391 121.223 0.164 0.000 2.305 529 L HA 0.399 4.740 4.340 0.001 0.000 0.284 529 L C 0.273 177.172 176.870 0.049 0.000 1.013 529 L CA -0.475 54.416 54.840 0.084 0.000 0.819 529 L CB 1.793 43.884 42.059 0.053 0.000 1.227 529 L HN 0.770 nan 8.230 nan 0.000 0.417 530 L N 2.466 123.713 121.223 0.040 0.000 2.607 530 L HA 0.227 4.568 4.340 0.001 0.000 0.228 530 L C 0.330 177.199 176.870 -0.002 0.000 1.123 530 L CA 0.301 55.146 54.840 0.008 0.000 0.890 530 L CB 0.005 42.076 42.059 0.019 0.000 1.103 530 L HN 0.628 nan 8.230 nan 0.000 0.468 531 N N 0.727 119.431 118.700 0.007 0.000 2.672 531 N HA 0.246 4.987 4.740 0.001 0.000 0.295 531 N C -0.943 174.569 175.510 0.005 0.000 1.924 531 N CA -0.065 52.986 53.050 0.003 0.000 0.851 531 N CB 1.529 40.020 38.487 0.007 0.000 1.281 531 N HN 0.100 nan 8.380 nan 0.000 0.494 532 L N 1.017 122.240 121.223 0.000 0.000 2.331 532 L HA 0.300 4.641 4.340 0.001 0.000 0.278 532 L C -0.244 176.629 176.870 0.004 0.000 1.106 532 L CA -0.165 54.676 54.840 0.002 0.000 0.824 532 L CB 0.549 42.605 42.059 -0.004 0.000 1.142 532 L HN 0.103 nan 8.230 nan 0.000 0.443 533 N N 6.776 125.480 118.700 0.007 0.000 2.426 533 N HA 0.292 5.033 4.740 0.001 0.000 0.257 533 N C -0.790 174.727 175.510 0.012 0.000 1.002 533 N CA -0.273 52.783 53.050 0.009 0.000 0.942 533 N CB 1.770 40.260 38.487 0.005 0.000 1.112 533 N HN 0.531 nan 8.380 nan 0.000 0.499 534 L N 2.577 123.817 121.223 0.029 0.000 2.504 534 L HA 0.232 4.572 4.340 0.001 0.000 0.249 534 L C 0.528 177.417 176.870 0.031 0.000 1.120 534 L CA -0.628 54.232 54.840 0.033 0.000 0.997 534 L CB 0.319 42.410 42.059 0.053 0.000 1.349 534 L HN 0.214 nan 8.230 nan 0.000 0.439 535 E N 2.109 122.313 120.200 0.007 0.000 2.492 535 E HA 0.001 4.352 4.350 0.001 0.000 0.266 535 E C -2.144 174.443 176.600 -0.021 0.000 1.047 535 E CA -1.257 55.137 56.400 -0.009 0.000 0.968 535 E CB 0.038 29.739 29.700 0.003 0.000 0.960 535 E HN 0.198 nan 8.360 nan 0.000 0.452 536 P HA -0.093 nan 4.420 nan 0.000 0.266 536 P C -0.167 177.109 177.300 -0.040 0.000 1.193 536 P CA 0.234 63.229 63.100 -0.175 0.000 0.770 536 P CB 0.035 31.621 31.700 -0.190 0.000 0.836 537 F N -1.260 118.707 119.950 0.028 0.000 2.978 537 F HA -0.283 4.244 4.527 0.001 0.000 0.248 537 F C 0.622 176.433 175.800 0.018 0.000 0.994 537 F CA 0.405 58.419 58.000 0.024 0.000 0.849 537 F CB -1.766 37.244 39.000 0.016 0.000 0.737 537 F HN 0.180 nan 8.300 nan 0.000 0.800 538 S N -1.308 114.473 115.700 0.136 0.000 2.810 538 S HA 0.734 5.205 4.470 0.001 0.000 0.315 538 S C -0.464 174.158 174.600 0.037 0.000 1.138 538 S CA -1.063 57.188 58.200 0.084 0.000 0.889 538 S CB 2.606 65.837 63.200 0.053 0.000 1.236 538 S HN 0.228 nan 8.310 nan 0.000 0.548 539 E N 0.437 120.637 120.200 -0.002 0.000 2.292 539 E HA 0.518 4.869 4.350 0.001 0.000 0.272 539 E C -1.403 175.114 176.600 -0.139 0.000 0.881 539 E CA -0.724 55.618 56.400 -0.096 0.000 0.754 539 E CB 2.053 31.708 29.700 -0.074 0.000 1.201 539 E HN 0.201 nan 8.360 nan 0.000 0.425 540 K N 0.927 121.201 120.400 -0.209 0.000 2.259 540 K HA 0.483 4.803 4.320 0.001 0.000 0.252 540 K C -1.339 175.151 176.600 -0.182 0.000 0.936 540 K CA -0.558 55.648 56.287 -0.134 0.000 0.810 540 K CB 2.060 34.519 32.500 -0.068 0.000 1.143 540 K HN 0.303 nan 8.250 nan 0.000 0.427 541 S N 3.150 118.827 115.700 -0.038 0.000 2.640 541 S HA 0.498 4.968 4.470 0.001 0.000 0.320 541 S C -1.403 173.299 174.600 0.170 0.000 1.097 541 S CA -0.645 57.611 58.200 0.093 0.000 1.092 541 S CB 0.561 63.855 63.200 0.157 0.000 0.988 541 S HN 0.338 nan 8.310 nan 0.000 0.470 542 V N 7.882 127.903 119.914 0.177 0.000 2.370 542 V HA 0.450 4.570 4.120 0.001 0.000 0.283 542 V C -2.296 173.886 176.094 0.146 0.000 1.023 542 V CA -1.980 60.405 62.300 0.141 0.000 0.857 542 V CB 1.282 33.152 31.823 0.078 0.000 0.985 542 V HN 0.648 nan 8.190 nan 0.000 0.443 543 P HA 0.444 nan 4.420 nan 0.000 0.277 543 P C -1.056 176.143 177.300 -0.169 0.000 1.240 543 P CA -0.465 62.545 63.100 -0.150 0.000 0.798 543 P CB 0.938 32.595 31.700 -0.072 0.000 0.979 544 L N 3.370 124.424 121.223 -0.282 0.000 2.491 544 L HA 0.388 4.729 4.340 0.001 0.000 0.267 544 L C -1.289 175.430 176.870 -0.252 0.000 0.971 544 L CA -0.692 54.029 54.840 -0.198 0.000 0.857 544 L CB 0.974 42.950 42.059 -0.138 0.000 1.226 544 L HN 0.388 nan 8.230 nan 0.000 0.408 545 C N 6.722 125.894 119.300 -0.213 0.000 2.349 545 C HA 0.505 4.966 4.460 0.001 0.000 0.348 545 C C 0.429 175.255 174.990 -0.274 0.000 1.223 545 C CA -0.647 58.227 59.018 -0.240 0.000 1.746 545 C CB -1.332 26.308 27.740 -0.167 0.000 2.360 545 C HN 0.680 nan 8.230 nan 0.000 0.533 546 I N 8.192 128.486 120.570 -0.461 0.000 2.291 546 I HA 0.240 4.411 4.170 0.001 0.000 0.290 546 I C 0.010 175.898 176.117 -0.382 0.000 1.050 546 I CA 0.056 61.069 61.300 -0.479 0.000 1.245 546 I CB 0.498 38.002 38.000 -0.827 0.000 1.405 546 I HN 0.484 nan 8.210 nan 0.000 0.478 547 L N 5.925 127.056 121.223 -0.155 0.000 2.350 547 L HA 0.167 4.507 4.340 0.001 0.000 0.275 547 L C 0.999 177.759 176.870 -0.183 0.000 1.099 547 L CA -0.427 54.346 54.840 -0.111 0.000 0.808 547 L CB 0.745 42.734 42.059 -0.118 0.000 1.149 547 L HN 0.534 nan 8.230 nan 0.000 0.442 548 Y N 1.755 121.846 120.300 -0.349 0.000 2.145 548 Y HA -0.271 4.279 4.550 0.001 0.000 0.286 548 Y C 2.223 177.700 175.900 -0.704 0.000 1.145 548 Y CA 1.919 59.526 58.100 -0.823 0.000 1.148 548 Y CB 0.080 38.330 38.460 -0.351 0.000 0.981 548 Y HN 0.705 nan 8.280 nan 0.000 0.507 549 E N 0.607 120.559 120.200 -0.413 0.000 2.273 549 E HA -0.188 4.162 4.350 0.001 0.000 0.198 549 E C 1.425 177.792 176.600 -0.389 0.000 1.002 549 E CA 1.535 57.704 56.400 -0.386 0.000 0.828 549 E CB -0.147 29.459 29.700 -0.157 0.000 0.747 549 E HN 0.520 nan 8.360 nan 0.000 0.491 550 K N -1.199 118.988 120.400 -0.356 0.000 2.358 550 K HA 0.040 4.360 4.320 0.001 0.000 0.200 550 K C 0.359 176.872 176.600 -0.146 0.000 1.030 550 K CA 0.235 56.391 56.287 -0.218 0.000 1.097 550 K CB 0.610 33.033 32.500 -0.127 0.000 0.862 550 K HN 0.290 nan 8.250 nan 0.000 0.534 551 Y N -1.490 118.704 120.300 -0.176 0.000 2.540 551 Y HA 0.215 4.766 4.550 0.001 0.000 0.257 551 Y C 1.555 177.363 175.900 -0.153 0.000 1.090 551 Y CA -0.834 57.195 58.100 -0.120 0.000 1.242 551 Y CB -0.315 38.114 38.460 -0.051 0.000 1.325 551 Y HN -0.154 nan 8.280 nan 0.000 0.544 552 R N 0.768 120.944 120.500 -0.540 0.000 2.096 552 R HA -0.132 4.208 4.340 0.001 0.000 0.235 552 R C 0.854 177.045 176.300 -0.181 0.000 1.127 552 R CA 2.039 57.856 56.100 -0.472 0.000 0.968 552 R CB -0.662 28.964 30.300 -1.122 0.000 0.861 552 R HN 0.196 nan 8.270 nan 0.000 0.440 553 D N 0.801 121.096 120.400 -0.175 0.000 2.097 553 D HA -0.088 4.553 4.640 0.001 0.000 0.195 553 D C 0.694 176.971 176.300 -0.040 0.000 0.989 553 D CA 1.275 55.217 54.000 -0.097 0.000 0.827 553 D CB -0.048 40.693 40.800 -0.099 0.000 0.966 553 D HN 0.312 nan 8.370 nan 0.000 0.456 554 C N 1.203 120.496 119.300 -0.011 0.000 2.395 554 C HA 0.401 4.862 4.460 0.001 0.000 0.315 554 C C 0.363 175.380 174.990 0.046 0.000 1.399 554 C CA -0.904 58.119 59.018 0.009 0.000 1.788 554 C CB -1.258 26.482 27.740 0.000 0.000 2.564 554 C HN 0.119 nan 8.230 nan 0.000 0.552 555 L N 2.187 123.456 121.223 0.077 0.000 2.325 555 L HA 0.518 4.859 4.340 0.001 0.000 0.279 555 L C 0.878 177.802 176.870 0.089 0.000 1.054 555 L CA 0.572 55.472 54.840 0.101 0.000 0.804 555 L CB 1.266 43.426 42.059 0.168 0.000 1.200 555 L HN 0.402 nan 8.230 nan 0.000 0.436 556 T N -0.224 114.389 114.554 0.099 0.000 2.847 556 T HA 0.259 4.610 4.350 0.001 0.000 0.279 556 T C 0.834 175.623 174.700 0.148 0.000 0.984 556 T CA -0.543 61.636 62.100 0.133 0.000 0.988 556 T CB 0.807 69.776 68.868 0.168 0.000 1.040 556 T HN 0.639 nan 8.240 nan 0.000 0.528 557 E N 0.074 120.382 120.200 0.181 0.000 2.396 557 E HA -0.038 4.312 4.350 0.001 0.000 0.200 557 E C 1.692 178.390 176.600 0.162 0.000 1.023 557 E CA 0.596 57.094 56.400 0.162 0.000 0.857 557 E CB -0.182 29.624 29.700 0.176 0.000 0.775 557 E HN 0.570 nan 8.360 nan 0.000 0.525 558 S N 0.565 116.379 115.700 0.191 0.000 2.593 558 S HA 0.012 4.483 4.470 0.001 0.000 0.217 558 S C -0.110 174.645 174.600 0.257 0.000 0.966 558 S CA -0.161 58.180 58.200 0.235 0.000 0.914 558 S CB -0.090 63.274 63.200 0.274 0.000 0.776 558 S HN 0.321 nan 8.310 nan 0.000 0.523 559 N N 1.634 120.407 118.700 0.122 0.000 2.699 559 N HA -0.167 4.574 4.740 0.001 0.000 0.256 559 N C -1.047 174.450 175.510 -0.021 0.000 0.993 559 N CA 0.673 53.704 53.050 -0.033 0.000 0.759 559 N CB -1.664 36.653 38.487 -0.283 0.000 0.906 559 N HN 0.451 nan 8.380 nan 0.000 0.541 560 L N 0.087 121.354 121.223 0.072 0.000 2.329 560 L HA 0.622 4.963 4.340 0.001 0.000 0.279 560 L C 0.442 177.325 176.870 0.021 0.000 1.014 560 L CA -0.627 54.268 54.840 0.092 0.000 0.814 560 L CB 1.517 43.679 42.059 0.170 0.000 1.257 560 L HN 0.051 nan 8.230 nan 0.000 0.424 561 I N 3.167 123.739 120.570 0.004 0.000 2.478 561 I HA 0.301 4.471 4.170 0.001 0.000 0.287 561 I C -0.493 175.643 176.117 0.033 0.000 1.042 561 I CA -0.606 60.692 61.300 -0.004 0.000 1.067 561 I CB 2.394 40.365 38.000 -0.049 0.000 1.233 561 I HN 0.547 nan 8.210 nan 0.000 0.431 562 K N 6.274 126.695 120.400 0.035 0.000 2.234 562 K HA 0.595 4.915 4.320 0.001 0.000 0.277 562 K C -1.265 175.362 176.600 0.044 0.000 1.038 562 K CA -0.426 55.887 56.287 0.043 0.000 0.888 562 K CB 1.444 33.964 32.500 0.033 0.000 1.091 562 K HN 0.390 nan 8.250 nan 0.000 0.467 563 V N 4.971 124.917 119.914 0.053 0.000 2.472 563 V HA 0.455 4.575 4.120 0.001 0.000 0.290 563 V C -0.028 176.100 176.094 0.058 0.000 1.037 563 V CA -0.728 61.606 62.300 0.056 0.000 0.908 563 V CB 1.388 33.248 31.823 0.063 0.000 0.985 563 V HN 0.784 nan 8.190 nan 0.000 0.454 564 R N 2.835 123.374 120.500 0.065 0.000 2.686 564 R HA 0.822 5.163 4.340 0.001 0.000 0.283 564 R C -1.212 175.137 176.300 0.082 0.000 0.978 564 R CA -0.453 55.687 56.100 0.066 0.000 0.897 564 R CB 2.066 32.404 30.300 0.064 0.000 1.192 564 R HN 0.832 nan 8.270 nan 0.000 0.457 565 A N 4.020 126.881 122.820 0.068 0.000 2.455 565 A HA 0.565 4.886 4.320 0.001 0.000 0.300 565 A C -1.984 175.623 177.584 0.040 0.000 1.040 565 A CA -0.637 51.439 52.037 0.065 0.000 0.697 565 A CB 1.720 20.758 19.000 0.063 0.000 1.265 565 A HN 0.520 nan 8.150 nan 0.000 0.407 566 L N 2.474 123.709 121.223 0.019 0.000 2.356 566 L HA 0.754 5.095 4.340 0.001 0.000 0.277 566 L C -1.560 175.284 176.870 -0.043 0.000 0.996 566 L CA -0.661 54.176 54.840 -0.004 0.000 0.822 566 L CB 1.615 43.664 42.059 -0.017 0.000 1.256 566 L HN 0.649 nan 8.230 nan 0.000 0.413 567 L N 6.414 127.607 121.223 -0.050 0.000 2.298 567 L HA 0.649 4.990 4.340 0.001 0.000 0.284 567 L C -1.074 175.695 176.870 -0.169 0.000 1.013 567 L CA -0.206 54.575 54.840 -0.099 0.000 0.824 567 L CB 1.566 43.569 42.059 -0.093 0.000 1.221 567 L HN 0.407 nan 8.230 nan 0.000 0.418 568 V N 4.350 124.133 119.914 -0.219 0.000 2.435 568 V HA 0.524 4.644 4.120 0.001 0.000 0.290 568 V C -0.195 175.708 176.094 -0.318 0.000 1.030 568 V CA -0.682 61.395 62.300 -0.371 0.000 0.881 568 V CB 1.627 33.237 31.823 -0.354 0.000 0.983 568 V HN 0.635 nan 8.190 nan 0.000 0.445 569 E N 7.588 127.558 120.200 -0.384 0.000 2.183 569 E HA 0.329 4.679 4.350 0.001 0.000 0.250 569 E C -1.889 174.568 176.600 -0.239 0.000 0.901 569 E CA -2.419 53.826 56.400 -0.260 0.000 0.741 569 E CB 2.019 31.548 29.700 -0.285 0.000 1.182 569 E HN 0.356 nan 8.360 nan 0.000 0.425 570 P HA -0.231 nan 4.420 nan 0.000 0.214 570 P C 1.440 178.693 177.300 -0.078 0.000 1.169 570 P CA 1.011 64.038 63.100 -0.121 0.000 0.908 570 P CB 0.252 31.909 31.700 -0.071 0.000 0.791 571 V N 2.595 122.488 119.914 -0.035 0.000 2.277 571 V HA -0.276 3.845 4.120 0.001 0.000 0.239 571 V C 2.680 178.766 176.094 -0.014 0.000 1.006 571 V CA 2.789 65.085 62.300 -0.007 0.000 1.018 571 V CB -1.790 30.050 31.823 0.029 0.000 0.665 571 V HN 0.111 nan 8.190 nan 0.000 0.488 572 I N -0.205 120.363 120.570 -0.003 0.000 3.164 572 I HA -0.012 4.159 4.170 0.001 0.000 0.278 572 I C 0.963 177.040 176.117 -0.067 0.000 1.320 572 I CA 1.053 62.348 61.300 -0.009 0.000 1.422 572 I CB -1.531 36.476 38.000 0.012 0.000 1.066 572 I HN 0.689 nan 8.210 nan 0.000 0.503 573 N N 1.753 120.376 118.700 -0.127 0.000 2.642 573 N HA -0.193 4.547 4.740 0.001 0.000 0.269 573 N C -0.960 174.315 175.510 -0.392 0.000 1.073 573 N CA 0.844 53.750 53.050 -0.241 0.000 0.748 573 N CB -0.830 37.584 38.487 -0.122 0.000 0.894 573 N HN 0.557 nan 8.380 nan 0.000 0.548 574 S N 1.657 117.091 115.700 -0.443 0.000 2.472 574 S HA 0.531 5.002 4.470 0.001 0.000 0.303 574 S C -0.953 173.299 174.600 -0.579 0.000 1.099 574 S CA -0.460 57.510 58.200 -0.382 0.000 1.077 574 S CB 0.793 63.851 63.200 -0.236 0.000 1.031 574 S HN 0.312 nan 8.310 nan 0.000 0.487 575 Y N 1.890 122.103 120.300 -0.144 0.000 2.335 575 Y HA 0.624 5.174 4.550 0.001 0.000 0.338 575 Y C -0.416 175.431 175.900 -0.088 0.000 0.977 575 Y CA -0.921 57.115 58.100 -0.108 0.000 1.114 575 Y CB 1.104 39.519 38.460 -0.075 0.000 1.182 575 Y HN 0.421 nan 8.280 nan 0.000 0.463 576 L N 4.873 126.103 121.223 0.011 0.000 2.343 576 L HA 0.537 4.878 4.340 0.001 0.000 0.278 576 L C -1.381 175.496 176.870 0.012 0.000 0.996 576 L CA -0.553 54.282 54.840 -0.009 0.000 0.831 576 L CB 1.161 43.185 42.059 -0.057 0.000 1.232 576 L HN 0.670 nan 8.230 nan 0.000 0.413 577 L N 4.311 125.544 121.223 0.017 0.000 2.325 577 L HA 0.928 5.269 4.340 0.001 0.000 0.278 577 L C -0.706 176.175 176.870 0.018 0.000 1.023 577 L CA -0.566 54.285 54.840 0.019 0.000 0.811 577 L CB 1.770 43.836 42.059 0.011 0.000 1.249 577 L HN 0.790 nan 8.230 nan 0.000 0.431 578 A N 4.375 127.211 122.820 0.027 0.000 2.456 578 A HA 0.639 4.960 4.320 0.001 0.000 0.288 578 A C -1.283 176.326 177.584 0.042 0.000 1.042 578 A CA -0.574 51.484 52.037 0.036 0.000 0.738 578 A CB 1.387 20.413 19.000 0.044 0.000 1.266 578 A HN 0.759 nan 8.150 nan 0.000 0.407 579 E N 0.626 120.851 120.200 0.041 0.000 2.369 579 E HA 0.755 5.105 4.350 0.001 0.000 0.270 579 E C -0.730 175.902 176.600 0.054 0.000 0.909 579 E CA -0.935 55.491 56.400 0.043 0.000 0.775 579 E CB 2.978 32.694 29.700 0.027 0.000 1.270 579 E HN 0.618 nan 8.360 nan 0.000 0.445 580 R N 1.236 121.772 120.500 0.060 0.000 2.594 580 R HA 0.201 4.541 4.340 0.001 0.000 0.265 580 R C -1.789 174.555 176.300 0.074 0.000 1.070 580 R CA -0.552 55.590 56.100 0.070 0.000 0.909 580 R CB 1.380 31.723 30.300 0.071 0.000 1.243 580 R HN 0.466 nan 8.270 nan 0.000 0.455 581 D N 4.635 125.090 120.400 0.091 0.000 2.329 581 D HA 0.234 4.875 4.640 0.001 0.000 0.232 581 D C -0.352 176.010 176.300 0.103 0.000 1.088 581 D CA -0.383 53.680 54.000 0.105 0.000 0.835 581 D CB 1.617 42.505 40.800 0.147 0.000 1.078 581 D HN 0.112 nan 8.370 nan 0.000 0.495 582 L N 2.134 123.398 121.223 0.068 0.000 2.379 582 L HA 0.299 4.640 4.340 0.001 0.000 0.269 582 L C -0.360 176.535 176.870 0.041 0.000 1.084 582 L CA -0.816 54.031 54.840 0.012 0.000 0.802 582 L CB 0.240 42.267 42.059 -0.053 0.000 1.175 582 L HN 0.332 nan 8.230 nan 0.000 0.448 583 Y N 2.714 122.923 120.300 -0.151 0.000 2.338 583 Y HA 0.510 5.060 4.550 0.001 0.000 0.328 583 Y C -0.829 174.916 175.900 -0.258 0.000 0.965 583 Y CA -0.877 57.156 58.100 -0.112 0.000 1.208 583 Y CB 0.961 39.445 38.460 0.041 0.000 1.132 583 Y HN 0.405 nan 8.280 nan 0.000 0.469 584 L N 5.680 126.411 121.223 -0.819 0.000 2.369 584 L HA 0.192 4.533 4.340 0.001 0.000 0.279 584 L C 0.234 176.560 176.870 -0.906 0.000 1.108 584 L CA -0.294 54.105 54.840 -0.733 0.000 0.852 584 L CB 0.440 42.216 42.059 -0.470 0.000 1.169 584 L HN 0.636 nan 8.230 nan 0.000 0.452 585 E N 3.677 123.550 120.200 -0.546 0.000 2.417 585 E HA 0.013 4.364 4.350 0.001 0.000 0.261 585 E C -0.158 176.368 176.600 -0.122 0.000 1.000 585 E CA 0.103 56.383 56.400 -0.200 0.000 0.919 585 E CB 0.376 30.056 29.700 -0.033 0.000 0.955 585 E HN 0.348 nan 8.360 nan 0.000 0.455 586 N N 4.521 123.215 118.700 -0.009 0.000 2.424 586 N HA 0.272 5.013 4.740 0.001 0.000 0.257 586 N C -2.352 173.168 175.510 0.016 0.000 1.250 586 N CA -1.319 51.739 53.050 0.014 0.000 0.946 586 N CB 0.291 38.825 38.487 0.078 0.000 1.175 586 N HN 0.439 nan 8.380 nan 0.000 0.477 587 P HA 0.089 nan 4.420 nan 0.000 0.275 587 P C -0.208 177.081 177.300 -0.017 0.000 1.227 587 P CA -0.132 62.951 63.100 -0.028 0.000 0.781 587 P CB 1.049 32.710 31.700 -0.066 0.000 0.906 588 E N 2.082 122.271 120.200 -0.020 0.000 2.409 588 E HA 0.184 4.535 4.350 0.001 0.000 0.257 588 E C -0.501 176.082 176.600 -0.029 0.000 1.150 588 E CA -0.398 55.991 56.400 -0.020 0.000 0.942 588 E CB 0.387 30.068 29.700 -0.031 0.000 0.979 588 E HN 0.396 nan 8.360 nan 0.000 0.447 589 I N 3.335 123.892 120.570 -0.022 0.000 2.382 589 I HA 0.196 4.367 4.170 0.001 0.000 0.285 589 I C -0.264 175.824 176.117 -0.049 0.000 1.007 589 I CA -0.595 60.703 61.300 -0.003 0.000 1.142 589 I CB 1.408 39.451 38.000 0.072 0.000 1.289 589 I HN 0.307 nan 8.210 nan 0.000 0.453 590 K N 7.085 127.450 120.400 -0.059 0.000 2.368 590 K HA 0.521 4.841 4.320 0.001 0.000 0.282 590 K C -0.661 175.881 176.600 -0.096 0.000 1.035 590 K CA 0.038 56.278 56.287 -0.078 0.000 0.973 590 K CB 1.184 33.642 32.500 -0.069 0.000 0.957 590 K HN 0.498 nan 8.250 nan 0.000 0.474 591 I N 3.570 124.081 120.570 -0.099 0.000 2.478 591 I HA 0.316 4.487 4.170 0.001 0.000 0.287 591 I C -0.321 175.748 176.117 -0.080 0.000 1.042 591 I CA -0.769 60.472 61.300 -0.099 0.000 1.067 591 I CB 1.759 39.702 38.000 -0.096 0.000 1.233 591 I HN 0.414 nan 8.210 nan 0.000 0.431 592 R N 6.386 126.841 120.500 -0.075 0.000 2.599 592 R HA 0.610 4.951 4.340 0.001 0.000 0.295 592 R C -1.080 175.192 176.300 -0.046 0.000 0.963 592 R CA -1.014 55.052 56.100 -0.056 0.000 0.883 592 R CB 2.675 32.944 30.300 -0.053 0.000 1.171 592 R HN 0.415 nan 8.270 nan 0.000 0.450 593 I N 5.398 125.949 120.570 -0.032 0.000 2.307 593 I HA 0.248 4.418 4.170 0.001 0.000 0.287 593 I C 0.142 176.248 176.117 -0.018 0.000 1.054 593 I CA -0.471 60.816 61.300 -0.021 0.000 1.218 593 I CB 0.648 38.643 38.000 -0.008 0.000 1.398 593 I HN 0.422 nan 8.210 nan 0.000 0.475 594 L N 5.692 126.903 121.223 -0.020 0.000 2.326 594 L HA 0.748 5.088 4.340 0.001 0.000 0.278 594 L C 1.008 177.872 176.870 -0.010 0.000 1.092 594 L CA -0.149 54.681 54.840 -0.017 0.000 0.810 594 L CB 0.856 42.902 42.059 -0.021 0.000 1.153 594 L HN 0.837 nan 8.230 nan 0.000 0.439 595 G N 2.859 111.654 108.800 -0.008 0.000 2.698 595 G HA2 -0.169 3.792 3.960 0.001 0.000 0.225 595 G HA3 -0.169 3.792 3.960 0.001 0.000 0.225 595 G C -0.774 174.126 174.900 -0.000 0.000 1.345 595 G CA -0.725 44.372 45.100 -0.004 0.000 0.871 595 G HN 0.652 nan 8.290 nan 0.000 0.540 596 E N 0.919 121.121 120.200 0.002 0.000 2.174 596 E HA 0.423 4.773 4.350 0.001 0.000 0.282 596 E C -2.359 174.248 176.600 0.012 0.000 0.992 596 E CA -1.634 54.770 56.400 0.006 0.000 0.803 596 E CB 1.641 31.344 29.700 0.005 0.000 1.090 596 E HN 0.200 nan 8.360 nan 0.000 0.396 597 P HA 0.059 nan 4.420 nan 0.000 0.249 597 P C -1.009 176.309 177.300 0.031 0.000 1.737 597 P CA 0.240 63.356 63.100 0.028 0.000 1.128 597 P CB 0.090 31.810 31.700 0.033 0.000 1.942 598 K N 1.248 121.663 120.400 0.026 0.000 2.156 598 K HA 0.319 4.639 4.320 0.001 0.000 0.250 598 K C 0.160 176.777 176.600 0.030 0.000 0.955 598 K CA -0.957 55.344 56.287 0.024 0.000 0.855 598 K CB 1.607 34.115 32.500 0.014 0.000 1.101 598 K HN 0.238 nan 8.250 nan 0.000 0.434 599 Q N 2.014 121.832 119.800 0.029 0.000 2.392 599 Q HA -0.045 4.296 4.340 0.001 0.000 0.262 599 Q C -0.378 175.628 176.000 0.010 0.000 1.003 599 Q CA 0.123 55.942 55.803 0.027 0.000 0.888 599 Q CB 0.548 29.299 28.738 0.022 0.000 1.260 599 Q HN 0.350 nan 8.270 nan 0.000 0.435 600 K N 2.164 122.566 120.400 0.003 0.000 3.777 600 K HA -0.253 4.068 4.320 0.001 0.000 0.276 600 K C -1.673 174.927 176.600 -0.000 0.000 0.877 600 K CA 1.035 57.318 56.287 -0.006 0.000 0.724 600 K CB -0.661 31.829 32.500 -0.017 0.000 1.589 600 K HN 0.722 nan 8.250 nan 0.000 0.444 601 R N 0.834 121.337 120.500 0.005 0.000 2.629 601 R HA 0.306 4.647 4.340 0.001 0.000 0.266 601 R C -1.028 175.276 176.300 0.006 0.000 1.051 601 R CA -0.799 55.304 56.100 0.005 0.000 0.895 601 R CB 0.907 31.211 30.300 0.007 0.000 1.246 601 R HN 0.257 nan 8.270 nan 0.000 0.459 602 K N 1.864 122.267 120.400 0.004 0.000 2.336 602 K HA 0.318 4.639 4.320 0.001 0.000 0.262 602 K C -1.131 175.471 176.600 0.004 0.000 0.992 602 K CA -0.053 56.236 56.287 0.003 0.000 0.927 602 K CB 0.401 32.902 32.500 0.000 0.000 0.956 602 K HN 0.376 nan 8.250 nan 0.000 0.495 603 L N 2.838 124.063 121.223 0.002 0.000 2.545 603 L HA 0.388 4.729 4.340 0.001 0.000 0.258 603 L C -1.850 175.018 176.870 -0.005 0.000 0.942 603 L CA -0.569 54.272 54.840 0.002 0.000 0.855 603 L CB 2.068 44.132 42.059 0.009 0.000 1.374 603 L HN 0.389 nan 8.230 nan 0.000 0.411 604 V N 3.060 122.969 119.914 -0.010 0.000 2.604 604 V HA 0.950 5.071 4.120 0.001 0.000 0.305 604 V C -0.225 175.853 176.094 -0.028 0.000 1.043 604 V CA -0.232 62.056 62.300 -0.019 0.000 0.888 604 V CB 1.691 33.502 31.823 -0.021 0.000 0.995 604 V HN 1.003 nan 8.190 nan 0.000 0.429 605 A N 3.283 126.079 122.820 -0.041 0.000 2.311 605 A HA 0.704 5.024 4.320 0.001 0.000 0.306 605 A C -0.460 177.068 177.584 -0.093 0.000 1.189 605 A CA -0.528 51.474 52.037 -0.058 0.000 0.791 605 A CB 0.898 19.866 19.000 -0.053 0.000 1.172 605 A HN 0.863 nan 8.150 nan 0.000 0.481 606 E N 2.273 122.413 120.200 -0.099 0.000 2.146 606 E HA 0.513 4.863 4.350 0.001 0.000 0.282 606 E C -0.846 175.644 176.600 -0.183 0.000 0.989 606 E CA -0.551 55.771 56.400 -0.130 0.000 0.799 606 E CB 1.136 30.780 29.700 -0.092 0.000 1.088 606 E HN 0.633 nan 8.360 nan 0.000 0.397 607 V N 2.038 121.769 119.914 -0.305 0.000 2.487 607 V HA 0.692 4.812 4.120 0.001 0.000 0.298 607 V C -0.225 175.621 176.094 -0.413 0.000 1.028 607 V CA -0.676 61.377 62.300 -0.412 0.000 0.860 607 V CB 1.091 32.495 31.823 -0.697 0.000 0.991 607 V HN 0.651 nan 8.190 nan 0.000 0.427 608 S N 5.707 121.292 115.700 -0.191 0.000 2.677 608 S HA 0.948 5.418 4.470 0.001 0.000 0.304 608 S C -1.008 173.607 174.600 0.024 0.000 1.108 608 S CA -0.826 57.337 58.200 -0.062 0.000 0.944 608 S CB 2.271 65.436 63.200 -0.057 0.000 1.127 608 S HN 1.503 nan 8.310 nan 0.000 0.511 609 L N 0.931 122.156 121.223 0.004 0.000 2.545 609 L HA 0.522 4.862 4.340 0.001 0.000 0.258 609 L C -1.777 175.008 176.870 -0.141 0.000 0.942 609 L CA -0.143 54.624 54.840 -0.120 0.000 0.855 609 L CB 1.893 43.725 42.059 -0.379 0.000 1.374 609 L HN 1.125 nan 8.230 nan 0.000 0.411 610 Q N 3.404 123.124 119.800 -0.133 0.000 2.381 610 Q HA 0.271 4.612 4.340 0.001 0.000 0.263 610 Q C -0.554 175.382 176.000 -0.106 0.000 1.030 610 Q CA -0.591 55.153 55.803 -0.099 0.000 0.772 610 Q CB 0.962 29.660 28.738 -0.066 0.000 1.232 610 Q HN 0.670 nan 8.270 nan 0.000 0.476 611 N N 5.826 124.465 118.700 -0.101 0.000 2.256 611 N HA -0.092 4.649 4.740 0.001 0.000 0.277 611 N C -1.791 173.677 175.510 -0.070 0.000 1.362 611 N CA -0.486 52.519 53.050 -0.076 0.000 0.861 611 N CB 0.853 39.317 38.487 -0.038 0.000 1.136 611 N HN 0.476 nan 8.380 nan 0.000 0.492 612 P HA -0.009 nan 4.420 nan 0.000 0.245 612 P C 0.289 177.505 177.300 -0.139 0.000 1.203 612 P CA 0.401 63.447 63.100 -0.090 0.000 0.792 612 P CB 0.488 32.142 31.700 -0.077 0.000 0.997 613 L N 0.522 121.657 121.223 -0.147 0.000 2.472 613 L HA 0.153 4.493 4.340 0.001 0.000 0.260 613 L C -1.218 175.532 176.870 -0.199 0.000 1.209 613 L CA -1.634 53.053 54.840 -0.254 0.000 0.817 613 L CB -0.190 41.775 42.059 -0.157 0.000 1.106 613 L HN -0.229 nan 8.230 nan 0.000 0.479 614 P HA 0.002 nan 4.420 nan 0.000 0.245 614 P C -0.257 177.014 177.300 -0.048 0.000 1.203 614 P CA 0.297 63.325 63.100 -0.120 0.000 0.792 614 P CB 0.334 31.967 31.700 -0.111 0.000 0.997 615 V N -4.160 115.736 119.914 -0.030 0.000 2.994 615 V HA 0.862 4.982 4.120 0.001 0.000 0.318 615 V C 0.126 176.223 176.094 0.006 0.000 1.085 615 V CA -1.738 60.568 62.300 0.010 0.000 0.998 615 V CB 1.071 32.925 31.823 0.052 0.000 1.063 615 V HN -0.030 nan 8.190 nan 0.000 0.447 616 A N 2.053 124.880 122.820 0.013 0.000 2.346 616 A HA 0.677 4.998 4.320 0.001 0.000 0.255 616 A C -0.484 177.118 177.584 0.029 0.000 1.113 616 A CA -0.220 51.826 52.037 0.016 0.000 0.798 616 A CB 0.103 19.112 19.000 0.015 0.000 1.073 616 A HN 0.953 nan 8.150 nan 0.000 0.502 617 L N 0.282 121.528 121.223 0.039 0.000 2.362 617 L HA 0.522 4.862 4.340 0.001 0.000 0.275 617 L C -0.106 176.789 176.870 0.041 0.000 0.998 617 L CA 0.205 55.079 54.840 0.056 0.000 0.820 617 L CB 1.668 43.791 42.059 0.107 0.000 1.270 617 L HN 0.875 nan 8.230 nan 0.000 0.415 618 E N 1.311 121.521 120.200 0.018 0.000 2.277 618 E HA 0.624 4.975 4.350 0.001 0.000 0.266 618 E C 0.118 176.700 176.600 -0.030 0.000 0.901 618 E CA -0.272 56.128 56.400 0.001 0.000 0.782 618 E CB 1.664 31.363 29.700 -0.002 0.000 1.228 618 E HN 0.759 nan 8.360 nan 0.000 0.424 619 G N 1.613 110.393 108.800 -0.032 0.000 2.323 619 G HA2 -0.291 3.670 3.960 0.001 0.000 0.292 619 G HA3 -0.291 3.670 3.960 0.001 0.000 0.292 619 G C 0.034 174.857 174.900 -0.128 0.000 1.040 619 G CA 0.056 45.118 45.100 -0.063 0.000 0.942 619 G HN 0.511 nan 8.290 nan 0.000 0.506 620 C N 0.565 119.800 119.300 -0.108 0.000 2.632 620 C HA 0.620 5.081 4.460 0.001 0.000 0.415 620 C C 0.987 175.828 174.990 -0.248 0.000 1.332 620 C CA 0.163 59.039 59.018 -0.237 0.000 1.874 620 C CB 0.123 27.901 27.740 0.063 0.000 2.596 620 C HN 0.611 nan 8.230 nan 0.000 0.590 621 T N 3.481 117.732 114.554 -0.506 0.000 2.881 621 T HA 0.494 4.844 4.350 0.001 0.000 0.290 621 T C -0.878 173.635 174.700 -0.311 0.000 1.000 621 T CA -0.168 61.764 62.100 -0.280 0.000 0.978 621 T CB 0.780 69.521 68.868 -0.213 0.000 0.997 621 T HN 0.338 nan 8.240 nan 0.000 0.443 622 F N 2.038 122.000 119.950 0.021 0.000 2.436 622 F HA 0.586 5.114 4.527 0.001 0.000 0.340 622 F C 0.725 176.540 175.800 0.024 0.000 1.113 622 F CA -0.440 57.613 58.000 0.087 0.000 1.022 622 F CB 1.935 41.014 39.000 0.131 0.000 1.128 622 F HN 0.398 nan 8.300 nan 0.000 0.466 623 T N 3.453 118.147 114.554 0.234 0.000 2.861 623 T HA 0.680 5.030 4.350 0.001 0.000 0.287 623 T C -0.948 173.817 174.700 0.108 0.000 1.003 623 T CA -0.647 61.520 62.100 0.113 0.000 0.977 623 T CB 1.796 70.682 68.868 0.029 0.000 0.996 623 T HN 0.227 nan 8.240 nan 0.000 0.448 624 V N 2.421 122.373 119.914 0.065 0.000 2.823 624 V HA 0.756 4.877 4.120 0.001 0.000 0.312 624 V C -0.236 175.863 176.094 0.008 0.000 1.072 624 V CA -0.695 61.629 62.300 0.040 0.000 0.937 624 V CB 2.130 33.972 31.823 0.031 0.000 1.013 624 V HN 0.967 nan 8.190 nan 0.000 0.430 625 E N 1.398 121.592 120.200 -0.009 0.000 2.454 625 E HA 0.739 5.089 4.350 0.001 0.000 0.279 625 E C -0.804 175.773 176.600 -0.039 0.000 1.029 625 E CA -0.320 56.059 56.400 -0.035 0.000 0.831 625 E CB 2.501 32.159 29.700 -0.071 0.000 1.405 625 E HN 1.098 nan 8.360 nan 0.000 0.463 626 G N 0.623 109.391 108.800 -0.053 0.000 1.968 626 G HA2 0.397 4.357 3.960 0.001 0.000 0.183 626 G HA3 0.397 4.357 3.960 0.001 0.000 0.183 626 G C -0.847 174.009 174.900 -0.075 0.000 1.665 626 G CA -0.308 44.763 45.100 -0.049 0.000 1.015 626 G HN 0.595 nan 8.290 nan 0.000 0.624 627 A N 1.039 123.816 122.820 -0.073 0.000 2.496 627 A HA 0.648 4.969 4.320 0.001 0.000 0.278 627 A C 1.661 179.101 177.584 -0.240 0.000 1.137 627 A CA 1.609 53.583 52.037 -0.104 0.000 0.805 627 A CB -0.126 18.840 19.000 -0.056 0.000 1.077 627 A HN 2.734 nan 8.150 nan 0.000 0.513 628 G N 1.115 109.694 108.800 -0.367 0.000 2.545 628 G HA2 -0.148 3.813 3.960 0.001 0.000 0.195 628 G HA3 -0.148 3.813 3.960 0.001 0.000 0.195 628 G C 0.488 175.057 174.900 -0.551 0.000 1.009 628 G CA 0.258 44.858 45.100 -0.834 0.000 0.703 628 G HN 0.575 nan 8.290 nan 0.000 0.479 629 L N 1.631 122.678 121.223 -0.294 0.000 2.425 629 L HA 0.395 4.735 4.340 0.001 0.000 0.215 629 L C 1.253 178.093 176.870 -0.051 0.000 1.065 629 L CA 2.190 56.962 54.840 -0.114 0.000 0.842 629 L CB -0.620 41.410 42.059 -0.049 0.000 1.033 629 L HN 0.537 nan 8.230 nan 0.000 0.474 630 T N -3.817 110.708 114.554 -0.048 0.000 2.894 630 T HA 0.384 4.734 4.350 0.001 0.000 0.309 630 T C 0.571 175.267 174.700 -0.007 0.000 1.208 630 T CA -0.693 61.398 62.100 -0.016 0.000 1.016 630 T CB 2.414 71.276 68.868 -0.010 0.000 1.192 630 T HN -0.178 nan 8.240 nan 0.000 0.491 631 E N 1.184 121.390 120.200 0.010 0.000 2.086 631 E HA 0.047 4.398 4.350 0.001 0.000 0.190 631 E C 0.746 177.355 176.600 0.015 0.000 0.975 631 E CA 0.985 57.398 56.400 0.021 0.000 0.813 631 E CB 0.213 29.931 29.700 0.030 0.000 0.768 631 E HN 0.914 nan 8.360 nan 0.000 0.457 632 E N 0.377 120.585 120.200 0.012 0.000 2.263 632 E HA 0.370 4.721 4.350 0.001 0.000 0.264 632 E C -0.317 176.288 176.600 0.008 0.000 0.923 632 E CA -0.824 55.584 56.400 0.012 0.000 0.802 632 E CB 1.422 31.132 29.700 0.016 0.000 1.228 632 E HN -0.211 nan 8.360 nan 0.000 0.417 633 Q N 0.909 120.716 119.800 0.010 0.000 2.421 633 Q HA 0.085 4.426 4.340 0.001 0.000 0.255 633 Q C -0.803 175.206 176.000 0.013 0.000 1.013 633 Q CA -0.007 55.801 55.803 0.009 0.000 0.895 633 Q CB 0.665 29.411 28.738 0.014 0.000 1.271 633 Q HN 0.321 nan 8.270 nan 0.000 0.460 634 K N 2.507 122.917 120.400 0.016 0.000 2.426 634 K HA 0.423 4.743 4.320 0.001 0.000 0.254 634 K C -1.336 175.285 176.600 0.036 0.000 0.936 634 K CA -0.497 55.803 56.287 0.022 0.000 0.801 634 K CB 2.173 34.684 32.500 0.018 0.000 1.139 634 K HN 0.595 nan 8.250 nan 0.000 0.424 635 T N 1.194 115.770 114.554 0.037 0.000 2.848 635 T HA 0.463 4.814 4.350 0.001 0.000 0.285 635 T C -0.584 174.151 174.700 0.058 0.000 0.995 635 T CA -0.598 61.532 62.100 0.050 0.000 0.970 635 T CB 1.872 70.755 68.868 0.026 0.000 0.976 635 T HN 0.146 nan 8.240 nan 0.000 0.441 636 V N 2.855 122.827 119.914 0.096 0.000 2.680 636 V HA 0.478 4.598 4.120 0.001 0.000 0.309 636 V C -0.420 175.737 176.094 0.106 0.000 1.052 636 V CA -0.913 61.447 62.300 0.099 0.000 0.908 636 V CB 2.142 34.038 31.823 0.122 0.000 1.001 636 V HN 0.860 nan 8.190 nan 0.000 0.431 637 E N 3.939 124.182 120.200 0.071 0.000 2.158 637 E HA 0.467 4.818 4.350 0.001 0.000 0.271 637 E C -1.081 175.560 176.600 0.068 0.000 0.911 637 E CA -0.756 55.673 56.400 0.048 0.000 0.767 637 E CB 1.936 31.646 29.700 0.017 0.000 1.120 637 E HN 0.384 nan 8.360 nan 0.000 0.405 638 I N 5.996 126.613 120.570 0.079 0.000 2.308 638 I HA 0.048 4.219 4.170 0.001 0.000 0.293 638 I C -1.028 175.120 176.117 0.052 0.000 1.078 638 I CA -2.256 59.100 61.300 0.092 0.000 1.292 638 I CB 0.078 38.160 38.000 0.137 0.000 1.423 638 I HN 0.457 nan 8.210 nan 0.000 0.493 639 P HA -0.169 nan 4.420 nan 0.000 0.216 639 P C -0.039 177.275 177.300 0.023 0.000 1.157 639 P CA 1.430 64.546 63.100 0.027 0.000 0.880 639 P CB 0.345 32.060 31.700 0.026 0.000 0.791 640 D N 0.367 120.785 120.400 0.030 0.000 2.272 640 D HA 0.328 4.969 4.640 0.001 0.000 0.247 640 D C -2.240 174.079 176.300 0.031 0.000 0.990 640 D CA -1.906 52.109 54.000 0.025 0.000 0.931 640 D CB 0.223 41.037 40.800 0.023 0.000 1.195 640 D HN 0.151 nan 8.370 nan 0.000 0.477 641 P HA 0.053 nan 4.420 nan 0.000 0.272 641 P C -0.811 176.511 177.300 0.036 0.000 1.230 641 P CA -0.337 62.780 63.100 0.029 0.000 0.788 641 P CB 0.681 32.392 31.700 0.020 0.000 0.949 642 V N 2.892 122.833 119.914 0.045 0.000 2.328 642 V HA 0.132 4.252 4.120 0.001 0.000 0.278 642 V C 0.860 176.968 176.094 0.023 0.000 1.021 642 V CA -0.595 61.729 62.300 0.040 0.000 0.838 642 V CB 0.522 32.379 31.823 0.056 0.000 0.999 642 V HN 0.507 nan 8.190 nan 0.000 0.447 643 E N 2.781 122.988 120.200 0.013 0.000 2.447 643 E HA 0.141 4.491 4.350 0.001 0.000 0.259 643 E C 1.561 178.158 176.600 -0.005 0.000 1.196 643 E CA 0.515 56.917 56.400 0.004 0.000 0.995 643 E CB 0.636 30.337 29.700 0.001 0.000 0.974 643 E HN 0.641 nan 8.360 nan 0.000 0.465 644 A N 1.723 124.536 122.820 -0.012 0.000 1.881 644 A HA -0.247 4.074 4.320 0.001 0.000 0.219 644 A C 2.072 179.637 177.584 -0.032 0.000 1.215 644 A CA 2.851 54.872 52.037 -0.027 0.000 0.648 644 A CB -1.301 17.681 19.000 -0.030 0.000 0.832 644 A HN 0.676 nan 8.150 nan 0.000 0.455 645 G N -0.217 108.568 108.800 -0.025 0.000 2.404 645 G HA2 0.057 4.018 3.960 0.001 0.000 0.214 645 G HA3 0.057 4.018 3.960 0.001 0.000 0.214 645 G C 0.382 175.267 174.900 -0.025 0.000 1.189 645 G CA 0.414 45.498 45.100 -0.027 0.000 0.789 645 G HN 0.554 nan 8.290 nan 0.000 0.533 646 E N 1.607 121.797 120.200 -0.017 0.000 2.864 646 E HA -0.074 4.276 4.350 0.001 0.000 0.285 646 E C 0.437 177.025 176.600 -0.020 0.000 0.965 646 E CA 0.758 57.150 56.400 -0.012 0.000 0.985 646 E CB 0.211 29.910 29.700 -0.001 0.000 1.000 646 E HN 0.818 nan 8.360 nan 0.000 0.475 647 E N 0.011 120.201 120.200 -0.016 0.000 2.232 647 E HA 0.585 4.936 4.350 0.001 0.000 0.264 647 E C -0.867 175.733 176.600 0.001 0.000 0.973 647 E CA -1.026 55.360 56.400 -0.024 0.000 0.849 647 E CB 1.346 31.031 29.700 -0.024 0.000 1.198 647 E HN 0.149 nan 8.360 nan 0.000 0.407 648 V N 0.625 120.546 119.914 0.011 0.000 2.715 648 V HA 0.608 4.729 4.120 0.001 0.000 0.310 648 V C -0.396 175.762 176.094 0.107 0.000 1.054 648 V CA -0.879 61.475 62.300 0.089 0.000 0.928 648 V CB 1.474 33.388 31.823 0.151 0.000 1.007 648 V HN 0.795 nan 8.190 nan 0.000 0.437 649 K N 1.617 122.078 120.400 0.101 0.000 2.532 649 K HA 0.884 5.205 4.320 0.001 0.000 0.265 649 K C -2.115 174.487 176.600 0.003 0.000 0.948 649 K CA -0.526 55.768 56.287 0.012 0.000 0.842 649 K CB 2.786 35.276 32.500 -0.017 0.000 1.392 649 K HN 0.624 nan 8.250 nan 0.000 0.436 650 V N 2.211 122.061 119.914 -0.106 0.000 3.236 650 V HA 0.574 4.694 4.120 0.001 0.000 0.287 650 V C -2.111 173.901 176.094 -0.138 0.000 1.491 650 V CA -0.706 61.545 62.300 -0.081 0.000 1.037 650 V CB 2.263 34.076 31.823 -0.016 0.000 1.160 650 V HN 0.896 nan 8.190 nan 0.000 0.453 651 R N 4.339 124.791 120.500 -0.080 0.000 2.832 651 R HA 0.889 5.229 4.340 0.001 0.000 0.271 651 R C -1.047 175.219 176.300 -0.057 0.000 0.996 651 R CA -0.748 55.305 56.100 -0.077 0.000 0.977 651 R CB 2.127 32.397 30.300 -0.049 0.000 1.168 651 R HN 0.689 nan 8.270 nan 0.000 0.482 652 M N 1.571 121.139 119.600 -0.053 0.000 2.224 652 M HA 0.255 4.736 4.480 0.001 0.000 0.281 652 M C -1.599 174.688 176.300 -0.022 0.000 1.025 652 M CA -0.796 54.485 55.300 -0.031 0.000 0.954 652 M CB 2.509 35.090 32.600 -0.032 0.000 1.639 652 M HN 0.451 nan 8.290 nan 0.000 0.461 653 D N 5.223 125.616 120.400 -0.012 0.000 2.343 653 D HA 0.474 5.114 4.640 0.001 0.000 0.255 653 D C -0.555 175.742 176.300 -0.004 0.000 1.187 653 D CA 0.240 54.236 54.000 -0.008 0.000 0.875 653 D CB 1.296 42.093 40.800 -0.004 0.000 1.136 653 D HN 0.443 nan 8.370 nan 0.000 0.469 654 L N 1.373 122.594 121.223 -0.004 0.000 2.323 654 L HA 0.492 4.832 4.340 0.001 0.000 0.265 654 L C -0.484 176.387 176.870 0.002 0.000 1.012 654 L CA -1.172 53.667 54.840 -0.001 0.000 0.820 654 L CB 1.800 43.858 42.059 -0.002 0.000 1.334 654 L HN 0.109 nan 8.230 nan 0.000 0.427 655 L N 3.174 124.399 121.223 0.003 0.000 2.470 655 L HA 0.489 4.829 4.340 0.001 0.000 0.253 655 L C -2.457 174.417 176.870 0.008 0.000 1.163 655 L CA -1.584 53.259 54.840 0.006 0.000 0.932 655 L CB 0.853 42.915 42.059 0.004 0.000 1.213 655 L HN 0.203 nan 8.230 nan 0.000 0.485 656 P HA 0.066 nan 4.420 nan 0.000 0.262 656 P C 0.545 177.862 177.300 0.028 0.000 1.182 656 P CA 0.430 63.542 63.100 0.020 0.000 0.761 656 P CB 0.687 32.416 31.700 0.048 0.000 0.795 657 L N 1.851 123.102 121.223 0.046 0.000 2.467 657 L HA 0.123 4.464 4.340 0.001 0.000 0.213 657 L C 0.486 177.317 176.870 -0.065 0.000 1.053 657 L CA 0.487 55.323 54.840 -0.006 0.000 0.847 657 L CB -0.276 41.778 42.059 -0.008 0.000 1.075 657 L HN 0.457 nan 8.230 nan 0.000 0.479 658 H N 0.192 119.283 119.070 0.036 0.000 2.463 658 H HA 0.386 4.943 4.556 0.001 0.000 0.332 658 H C 0.240 175.731 175.328 0.273 0.000 1.127 658 H CA -0.558 55.574 56.048 0.139 0.000 1.238 658 H CB 1.074 30.945 29.762 0.182 0.000 1.478 658 H HN 0.005 nan 8.280 nan 0.000 0.499 659 M N 0.722 120.493 119.600 0.286 0.000 1.898 659 M HA 0.590 5.070 4.480 0.001 0.000 0.191 659 M C 0.806 177.182 176.300 0.128 0.000 1.181 659 M CA 0.095 55.511 55.300 0.193 0.000 0.990 659 M CB 0.210 32.862 32.600 0.088 0.000 1.143 659 M HN 0.746 nan 8.290 nan 0.000 0.540 660 G N -0.032 108.761 108.800 -0.011 0.000 2.568 660 G HA2 -0.116 3.845 3.960 0.001 0.000 0.222 660 G HA3 -0.116 3.845 3.960 0.001 0.000 0.222 660 G C -1.540 173.179 174.900 -0.301 0.000 1.321 660 G CA -0.182 44.830 45.100 -0.147 0.000 0.893 660 G HN 0.924 nan 8.290 nan 0.000 0.569 661 L N 1.447 122.445 121.223 -0.375 0.000 2.325 661 L HA 0.889 5.229 4.340 0.001 0.000 0.279 661 L C -0.198 176.352 176.870 -0.534 0.000 1.054 661 L CA -0.746 53.911 54.840 -0.305 0.000 0.804 661 L CB 1.236 43.209 42.059 -0.144 0.000 1.200 661 L HN 0.796 nan 8.230 nan 0.000 0.436 662 H N 3.292 122.380 119.070 0.030 0.000 3.029 662 H HA 0.325 4.881 4.556 0.001 0.000 0.358 662 H C -1.232 174.116 175.328 0.033 0.000 1.129 662 H CA -0.803 55.260 56.048 0.024 0.000 1.230 662 H CB 1.760 31.541 29.762 0.032 0.000 1.827 662 H HN 0.529 nan 8.280 nan 0.000 0.530 663 K N 2.513 123.000 120.400 0.145 0.000 2.240 663 K HA 0.278 4.599 4.320 0.001 0.000 0.271 663 K C -0.597 176.073 176.600 0.117 0.000 1.018 663 K CA -0.891 55.471 56.287 0.125 0.000 0.874 663 K CB 1.113 33.629 32.500 0.027 0.000 1.098 663 K HN 0.280 nan 8.250 nan 0.000 0.458 664 L N 6.491 127.802 121.223 0.146 0.000 2.261 664 L HA 0.240 4.581 4.340 0.001 0.000 0.289 664 L C -0.724 176.228 176.870 0.136 0.000 1.059 664 L CA -0.405 54.496 54.840 0.102 0.000 0.816 664 L CB 0.972 43.077 42.059 0.078 0.000 1.191 664 L HN 0.358 nan 8.230 nan 0.000 0.431 665 V N 4.482 124.444 119.914 0.079 0.000 2.539 665 V HA 0.849 4.970 4.120 0.001 0.000 0.292 665 V C -0.168 175.969 176.094 0.072 0.000 1.045 665 V CA -0.383 61.972 62.300 0.092 0.000 0.945 665 V CB 1.360 33.176 31.823 -0.011 0.000 0.993 665 V HN 0.733 nan 8.190 nan 0.000 0.464 666 V N 1.608 121.589 119.914 0.113 0.000 3.007 666 V HA 0.837 4.958 4.120 0.001 0.000 0.311 666 V C -1.049 175.138 176.094 0.155 0.000 1.120 666 V CA -0.615 61.765 62.300 0.133 0.000 0.980 666 V CB 2.017 33.938 31.823 0.164 0.000 1.033 666 V HN 1.197 nan 8.190 nan 0.000 0.429 667 N N 2.342 121.144 118.700 0.170 0.000 2.310 667 N HA 0.588 5.328 4.740 0.001 0.000 0.292 667 N C -1.807 173.791 175.510 0.146 0.000 1.049 667 N CA -0.486 52.643 53.050 0.132 0.000 0.849 667 N CB 2.013 40.520 38.487 0.033 0.000 1.532 667 N HN 0.907 nan 8.380 nan 0.000 0.479 668 F N 2.270 122.180 119.950 -0.067 0.000 2.436 668 F HA 0.603 5.131 4.527 0.001 0.000 0.340 668 F C -0.254 175.417 175.800 -0.214 0.000 1.113 668 F CA -0.534 57.281 58.000 -0.309 0.000 1.022 668 F CB 1.314 40.043 39.000 -0.452 0.000 1.128 668 F HN 0.509 nan 8.300 nan 0.000 0.466 669 E N 3.362 122.944 120.200 -1.030 0.000 2.238 669 E HA 0.681 5.032 4.350 0.001 0.000 0.267 669 E C -1.412 174.608 176.600 -0.967 0.000 0.887 669 E CA -0.456 55.503 56.400 -0.735 0.000 0.769 669 E CB 1.825 31.283 29.700 -0.403 0.000 1.187 669 E HN 0.713 nan 8.360 nan 0.000 0.416 670 S N 2.071 117.441 115.700 -0.549 0.000 2.636 670 S HA 0.268 4.738 4.470 0.001 0.000 0.268 670 S C 0.097 174.605 174.600 -0.153 0.000 1.159 670 S CA -0.207 57.783 58.200 -0.351 0.000 0.815 670 S CB 0.646 63.695 63.200 -0.251 0.000 1.130 670 S HN 0.529 nan 8.310 nan 0.000 0.471 671 D N 0.911 121.261 120.400 -0.084 0.000 2.144 671 D HA -0.050 4.591 4.640 0.001 0.000 0.200 671 D C 1.028 177.324 176.300 -0.007 0.000 0.978 671 D CA 1.294 55.270 54.000 -0.041 0.000 0.833 671 D CB -0.265 40.520 40.800 -0.026 0.000 0.961 671 D HN 0.485 nan 8.370 nan 0.000 0.470 672 K N -0.872 119.541 120.400 0.021 0.000 2.358 672 K HA 0.411 4.732 4.320 0.001 0.000 0.200 672 K C -0.055 176.599 176.600 0.090 0.000 1.030 672 K CA -0.083 56.242 56.287 0.063 0.000 1.097 672 K CB 1.347 33.900 32.500 0.088 0.000 0.862 672 K HN 0.085 nan 8.250 nan 0.000 0.534 673 L N 1.720 122.987 121.223 0.074 0.000 2.529 673 L HA 0.339 4.680 4.340 0.001 0.000 0.258 673 L C -1.379 175.527 176.870 0.060 0.000 1.032 673 L CA -0.403 54.504 54.840 0.112 0.000 0.899 673 L CB 1.026 43.204 42.059 0.198 0.000 1.174 673 L HN -0.023 nan 8.230 nan 0.000 0.458 674 K N 2.391 122.815 120.400 0.040 0.000 2.123 674 K HA 0.707 5.027 4.320 0.001 0.000 0.248 674 K C 0.618 177.240 176.600 0.037 0.000 0.969 674 K CA -0.206 56.077 56.287 -0.007 0.000 0.882 674 K CB 1.820 34.317 32.500 -0.005 0.000 1.080 674 K HN 0.550 nan 8.250 nan 0.000 0.441 675 A N 0.211 123.034 122.820 0.005 0.000 2.466 675 A HA -0.127 4.193 4.320 0.001 0.000 0.295 675 A C 0.097 177.734 177.584 0.089 0.000 1.465 675 A CA 0.658 52.720 52.037 0.041 0.000 0.744 675 A CB -2.275 16.760 19.000 0.058 0.000 1.098 675 A HN 0.557 nan 8.150 nan 0.000 0.402 676 V N -1.713 118.279 119.914 0.130 0.000 2.407 676 V HA 0.823 4.943 4.120 0.001 0.000 0.278 676 V C 0.214 176.397 176.094 0.149 0.000 1.037 676 V CA -1.103 61.287 62.300 0.150 0.000 0.900 676 V CB 1.418 33.348 31.823 0.178 0.000 0.983 676 V HN 0.436 nan 8.190 nan 0.000 0.459 677 K N 3.515 123.988 120.400 0.123 0.000 2.109 677 K HA 0.923 5.244 4.320 0.001 0.000 0.243 677 K C 0.315 177.000 176.600 0.141 0.000 1.006 677 K CA 0.403 56.765 56.287 0.126 0.000 0.917 677 K CB 1.488 34.047 32.500 0.099 0.000 1.081 677 K HN 1.273 nan 8.250 nan 0.000 0.468 678 G N -0.044 108.859 108.800 0.170 0.000 2.632 678 G HA2 0.598 4.558 3.960 0.001 0.000 0.292 678 G HA3 0.598 4.558 3.960 0.001 0.000 0.292 678 G C -1.879 173.170 174.900 0.248 0.000 1.465 678 G CA -0.813 44.375 45.100 0.146 0.000 0.824 678 G HN 0.473 nan 8.290 nan 0.000 0.509 679 F N -0.705 119.271 119.950 0.044 0.000 2.744 679 F HA 0.925 5.453 4.527 0.001 0.000 0.311 679 F C -1.351 174.478 175.800 0.048 0.000 1.144 679 F CA -1.428 56.604 58.000 0.054 0.000 0.938 679 F CB 1.963 41.022 39.000 0.097 0.000 1.292 679 F HN 0.738 nan 8.300 nan 0.000 0.444 680 R N 2.147 122.752 120.500 0.176 0.000 2.535 680 R HA 0.440 4.781 4.340 0.001 0.000 0.274 680 R C -2.044 174.370 176.300 0.190 0.000 1.090 680 R CA -0.561 55.567 56.100 0.046 0.000 0.930 680 R CB 1.214 31.503 30.300 -0.018 0.000 1.223 680 R HN 0.774 nan 8.270 nan 0.000 0.441 681 N N 2.501 121.305 118.700 0.175 0.000 2.458 681 N HA 0.265 5.005 4.740 0.001 0.000 0.270 681 N C -1.107 174.457 175.510 0.089 0.000 1.102 681 N CA 0.018 53.159 53.050 0.152 0.000 0.967 681 N CB 1.658 40.231 38.487 0.143 0.000 1.078 681 N HN 0.249 nan 8.380 nan 0.000 0.471 682 V N 4.069 124.039 119.914 0.093 0.000 2.483 682 V HA 0.379 4.499 4.120 0.001 0.000 0.297 682 V C 0.014 176.148 176.094 0.067 0.000 1.027 682 V CA -0.806 61.542 62.300 0.079 0.000 0.855 682 V CB 1.976 33.858 31.823 0.099 0.000 0.995 682 V HN 0.424 nan 8.190 nan 0.000 0.424 683 I N 5.824 126.418 120.570 0.040 0.000 2.304 683 I HA 0.383 4.553 4.170 0.001 0.000 0.291 683 I C -0.310 175.832 176.117 0.042 0.000 1.018 683 I CA -0.325 60.984 61.300 0.016 0.000 1.260 683 I CB 1.428 39.430 38.000 0.003 0.000 1.390 683 I HN 0.356 nan 8.210 nan 0.000 0.475 684 I N 5.916 126.526 120.570 0.066 0.000 2.315 684 I HA 0.377 4.547 4.170 0.001 0.000 0.291 684 I C 0.937 177.089 176.117 0.058 0.000 1.006 684 I CA -0.019 61.336 61.300 0.091 0.000 1.265 684 I CB 0.906 39.015 38.000 0.181 0.000 1.387 684 I HN 0.558 nan 8.210 nan 0.000 0.475 685 G N 7.855 116.679 108.800 0.040 0.000 2.583 685 G HA2 0.618 4.578 3.960 0.001 0.000 0.280 685 G HA3 0.618 4.578 3.960 0.001 0.000 0.280 685 G C -2.840 172.076 174.900 0.026 0.000 1.376 685 G CA -1.205 43.911 45.100 0.027 0.000 1.043 685 G HN 0.320 nan 8.290 nan 0.000 0.538 686 P HA 0.289 nan 4.420 nan 0.000 0.275 686 P C 0.322 177.627 177.300 0.009 0.000 1.228 686 P CA 0.172 63.278 63.100 0.010 0.000 0.786 686 P CB 1.505 33.209 31.700 0.005 0.000 0.927 687 A N 3.564 126.387 122.820 0.005 0.000 1.970 687 A HA 0.150 4.471 4.320 0.001 0.000 0.216 687 A C 0.519 178.104 177.584 0.001 0.000 1.170 687 A CA 1.074 53.113 52.037 0.003 0.000 0.645 687 A CB -0.942 18.058 19.000 -0.000 0.000 0.816 687 A HN 0.609 nan 8.150 nan 0.000 0.447 688 L N 0.000 121.223 121.223 -0.000 0.000 2.949 688 L HA 0.000 4.340 4.340 0.001 0.000 0.249 688 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 688 L CB 0.000 42.059 42.059 0.000 0.000 0.961 688 L HN 0.000 nan 8.230 nan 0.000 0.502