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 1n52_1_A DATA FIRST_RESID 26 DATA SEQUENCE ETEDHLESLI CKVGEKSACS LESNLEGLAG VLEADLPNYK SKILRLLCTV DATA SEQUENCE ARLLPEKLTI YTTLVGLLNA RNYNFGGEFV EAMIRQLKES LKANNYNEAV DATA SEQUENCE YLVRFLSDLV NCHVIAAPSM VAMFENFVSV TQEEDVPQVR RDWYVYAFLS DATA SEQUENCE SLPWVGKELY EKKDAEMDRI FANTESYLKR RQKTHVPMLQ VWTADKPHPQ DATA SEQUENCE EEYLDCLWAQ IQKLKKDRWQ ERHILRPYLA FDSILCEALQ HNLPPFTPPP DATA SEQUENCE HTEDSVYPMP RVIFRMFDYT DDPEGPVMPG SHSVERFVIE ENLHCIIKSH DATA SEQUENCE WKERKTCAAQ LVSYPGKNKI PLNYHIVEVI FAELFQLPAP PHIDVMYTTL DATA SEQUENCE LIELCKLQPG SLPQVLAQAT EMLYMRLDTM NTTCVDRFIN WFSHHLSNFQ DATA SEQUENCE FRWSWEDWSD CLSQDPESPK PKFVREVLEK CMRLSYHQRI LDIVPPTFSA DATA SEQUENCE LCPANPTCIY KYGDESSNSL PGHSVALCLA VAFKSKATND EIFSILKDVP DATA SEQUENCE NXXXXXXXXX XXXFNPLKIE VFVQTLLHLA AKSFSHSFSA LAKFHEVFKT DATA SEQUENCE LAESDEGKLH VLRVMFEVWR NHPQMIAVLV DKMIRTQIVD CAAVANWIFS DATA SEQUENCE SELSRDFTRL FVWEILHSTI RKMNKHVLKI QKELEEAKEK XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XVLEEQIERL QEKVESAQSE QKNLFLVIFQ RFIMILTEHL DATA SEQUENCE VRCETDGTSV LTPWYKNCIE RLQQIFLQHH QIIQQYMVTL ENLLFTAELD DATA SEQUENCE PHILAVFQQF CALQA 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 26 E HA 0.000 nan 4.350 nan 0.000 0.291 26 E C 0.000 176.587 176.600 -0.021 0.000 1.382 26 E CA 0.000 56.391 56.400 -0.015 0.000 0.976 26 E CB 0.000 29.730 29.700 0.050 0.000 0.812 27 T N 0.484 115.048 114.554 0.016 0.000 2.635 27 T HA -0.349 4.003 4.350 0.003 0.000 0.265 27 T C 1.495 176.062 174.700 -0.221 0.000 1.058 27 T CA 1.967 64.025 62.100 -0.070 0.000 1.162 27 T CB -0.839 67.932 68.868 -0.161 0.000 0.859 27 T HN 0.276 nan 8.240 nan 0.000 0.449 28 E N 1.317 121.350 120.200 -0.278 0.000 2.068 28 E HA -0.253 4.099 4.350 0.003 0.000 0.207 28 E C 2.143 178.655 176.600 -0.147 0.000 1.032 28 E CA 1.817 58.071 56.400 -0.243 0.000 0.839 28 E CB -0.718 28.898 29.700 -0.140 0.000 0.758 28 E HN 0.710 nan 8.360 nan 0.000 0.457 29 D N 0.060 120.387 120.400 -0.121 0.000 2.104 29 D HA -0.202 4.440 4.640 0.003 0.000 0.194 29 D C 1.886 178.112 176.300 -0.122 0.000 0.994 29 D CA 1.113 55.036 54.000 -0.129 0.000 0.830 29 D CB -0.063 40.635 40.800 -0.169 0.000 0.959 29 D HN 0.259 nan 8.370 nan 0.000 0.452 30 H N 0.406 119.432 119.070 -0.074 0.000 2.387 30 H HA -0.052 4.506 4.556 0.003 0.000 0.299 30 H C 2.489 177.787 175.328 -0.050 0.000 1.090 30 H CA 0.623 56.640 56.048 -0.052 0.000 1.332 30 H CB -0.160 29.574 29.762 -0.047 0.000 1.386 30 H HN 0.257 nan 8.280 nan 0.000 0.516 31 L N 0.742 121.986 121.223 0.035 0.000 1.970 31 L HA -0.221 4.121 4.340 0.003 0.000 0.212 31 L C 2.754 179.636 176.870 0.019 0.000 1.071 31 L CA 1.930 56.773 54.840 0.004 0.000 0.751 31 L CB -0.612 41.408 42.059 -0.064 0.000 0.889 31 L HN 0.390 nan 8.230 nan 0.000 0.432 32 E N -0.307 119.888 120.200 -0.008 0.000 2.130 32 E HA -0.285 4.066 4.350 0.003 0.000 0.196 32 E C 2.186 178.798 176.600 0.020 0.000 0.998 32 E CA 1.739 58.138 56.400 -0.003 0.000 0.806 32 E CB -0.393 29.292 29.700 -0.025 0.000 0.738 32 E HN 0.356 nan 8.360 nan 0.000 0.459 33 S N 0.774 116.487 115.700 0.021 0.000 2.348 33 S HA -0.121 4.351 4.470 0.003 0.000 0.221 33 S C 2.073 176.716 174.600 0.072 0.000 1.033 33 S CA 1.172 59.396 58.200 0.040 0.000 1.010 33 S CB -0.321 62.904 63.200 0.041 0.000 0.891 33 S HN 0.362 nan 8.310 nan 0.000 0.442 34 L N 1.243 122.517 121.223 0.086 0.000 2.046 34 L HA -0.090 4.252 4.340 0.003 0.000 0.208 34 L C 2.439 179.373 176.870 0.106 0.000 1.077 34 L CA 0.857 55.749 54.840 0.086 0.000 0.747 34 L CB -0.551 41.552 42.059 0.073 0.000 0.896 34 L HN 0.358 nan 8.230 nan 0.000 0.432 35 I N -0.422 120.214 120.570 0.111 0.000 2.248 35 I HA -0.346 3.826 4.170 0.003 0.000 0.248 35 I C 2.575 178.848 176.117 0.260 0.000 1.107 35 I CA 1.402 62.806 61.300 0.174 0.000 1.373 35 I CB -1.346 36.712 38.000 0.096 0.000 1.055 35 I HN 0.438 nan 8.210 nan 0.000 0.418 36 C N 0.263 119.665 119.300 0.170 0.000 2.475 36 C HA -0.055 4.406 4.460 0.003 0.000 0.279 36 C C 2.698 177.787 174.990 0.165 0.000 1.322 36 C CA 0.084 59.216 59.018 0.190 0.000 1.734 36 C CB -0.632 27.175 27.740 0.112 0.000 2.005 36 C HN 0.367 nan 8.230 nan 0.000 0.495 37 K N 1.766 122.235 120.400 0.115 0.000 2.059 37 K HA -0.173 4.149 4.320 0.003 0.000 0.212 37 K C 1.982 178.620 176.600 0.064 0.000 1.050 37 K CA 1.963 58.298 56.287 0.080 0.000 0.927 37 K CB -1.021 31.518 32.500 0.066 0.000 0.714 37 K HN 0.567 nan 8.250 nan 0.000 0.447 38 V N -1.910 118.041 119.914 0.062 0.000 2.255 38 V HA -0.183 3.939 4.120 0.003 0.000 0.247 38 V C 2.103 178.163 176.094 -0.056 0.000 1.051 38 V CA 2.285 64.580 62.300 -0.008 0.000 1.018 38 V CB -1.622 30.171 31.823 -0.049 0.000 0.641 38 V HN 0.269 nan 8.190 nan 0.000 0.445 39 G N 0.163 108.937 108.800 -0.044 0.000 2.442 39 G HA2 -0.152 3.810 3.960 0.003 0.000 0.219 39 G HA3 -0.152 3.810 3.960 0.003 0.000 0.219 39 G C 0.784 175.708 174.900 0.041 0.000 1.141 39 G CA 0.631 45.711 45.100 -0.034 0.000 0.763 39 G HN 0.694 nan 8.290 nan 0.000 0.554 40 E N 0.361 120.602 120.200 0.068 0.000 2.409 40 E HA 0.240 4.592 4.350 0.003 0.000 0.257 40 E C 0.100 176.718 176.600 0.030 0.000 1.150 40 E CA -0.370 56.065 56.400 0.058 0.000 0.942 40 E CB 0.433 30.169 29.700 0.059 0.000 0.979 40 E HN 0.422 nan 8.360 nan 0.000 0.447 41 K N 0.672 121.087 120.400 0.025 0.000 2.382 41 K HA 0.125 4.447 4.320 0.003 0.000 0.286 41 K C -0.410 176.196 176.600 0.011 0.000 1.062 41 K CA -0.292 56.003 56.287 0.012 0.000 1.000 41 K CB 0.380 32.886 32.500 0.010 0.000 0.954 41 K HN 0.342 nan 8.250 nan 0.000 0.470 42 S N 2.406 118.110 115.700 0.007 0.000 2.632 42 S HA 0.479 4.951 4.470 0.003 0.000 0.267 42 S C 0.514 175.117 174.600 0.006 0.000 1.193 42 S CA -0.598 57.607 58.200 0.009 0.000 1.003 42 S CB 1.257 64.462 63.200 0.009 0.000 1.073 42 S HN 0.754 nan 8.310 nan 0.000 0.553 43 A N -0.943 121.881 122.820 0.007 0.000 2.610 43 A HA 0.581 4.903 4.320 0.003 0.000 0.290 43 A C -0.187 177.400 177.584 0.005 0.000 1.001 43 A CA -0.449 51.591 52.037 0.005 0.000 1.004 43 A CB -0.448 18.556 19.000 0.006 0.000 1.220 43 A HN 0.829 nan 8.150 nan 0.000 0.507 44 C N 0.664 119.967 119.300 0.005 0.000 3.094 44 C HA 0.500 4.962 4.460 0.003 0.000 0.414 44 C C 0.393 175.388 174.990 0.007 0.000 0.993 44 C CA -0.235 58.787 59.018 0.006 0.000 1.217 44 C CB 0.477 28.223 27.740 0.011 0.000 1.603 44 C HN 1.213 nan 8.230 nan 0.000 0.564 45 S N 4.978 120.679 115.700 0.002 0.000 3.332 45 S HA -0.071 4.401 4.470 0.003 0.000 0.395 45 S C 1.148 175.759 174.600 0.018 0.000 1.180 45 S CA 0.619 58.819 58.200 0.001 0.000 0.985 45 S CB 0.289 63.484 63.200 -0.010 0.000 0.694 45 S HN 1.609 nan 8.310 nan 0.000 0.502 46 L N 3.269 124.500 121.223 0.013 0.000 2.054 46 L HA -0.199 4.142 4.340 0.003 0.000 0.220 46 L C 2.287 179.205 176.870 0.081 0.000 1.081 46 L CA 2.549 57.404 54.840 0.025 0.000 0.780 46 L CB -1.089 40.973 42.059 0.004 0.000 0.893 46 L HN 0.843 nan 8.230 nan 0.000 0.438 47 E N -0.373 119.895 120.200 0.113 0.000 2.118 47 E HA -0.176 4.176 4.350 0.003 0.000 0.195 47 E C 2.226 179.013 176.600 0.311 0.000 0.992 47 E CA 1.492 58.058 56.400 0.277 0.000 0.804 47 E CB -0.349 29.375 29.700 0.041 0.000 0.741 47 E HN 0.607 nan 8.360 nan 0.000 0.458 48 S N 0.795 116.582 115.700 0.144 0.000 2.343 48 S HA -0.161 4.311 4.470 0.003 0.000 0.219 48 S C 1.683 176.342 174.600 0.098 0.000 1.033 48 S CA 1.388 59.656 58.200 0.113 0.000 1.014 48 S CB -0.458 62.776 63.200 0.056 0.000 0.915 48 S HN 0.280 nan 8.310 nan 0.000 0.435 49 N N 1.741 120.481 118.700 0.068 0.000 2.061 49 N HA -0.038 4.703 4.740 0.003 0.000 0.193 49 N C 1.591 177.120 175.510 0.031 0.000 1.030 49 N CA 0.924 53.999 53.050 0.042 0.000 0.856 49 N CB -0.586 37.918 38.487 0.028 0.000 1.023 49 N HN 0.270 nan 8.380 nan 0.000 0.424 50 L N 0.239 121.482 121.223 0.033 0.000 2.191 50 L HA -0.154 4.187 4.340 0.003 0.000 0.212 50 L C 2.310 179.126 176.870 -0.090 0.000 1.103 50 L CA 0.964 55.778 54.840 -0.045 0.000 0.769 50 L CB -0.215 41.792 42.059 -0.086 0.000 0.908 50 L HN 0.197 nan 8.230 nan 0.000 0.438 51 E N 0.141 120.351 120.200 0.018 0.000 2.015 51 E HA -0.136 4.215 4.350 0.003 0.000 0.191 51 E C 2.024 178.633 176.600 0.014 0.000 0.991 51 E CA 1.528 57.951 56.400 0.039 0.000 0.802 51 E CB -0.462 29.347 29.700 0.182 0.000 0.759 51 E HN 0.298 nan 8.360 nan 0.000 0.447 52 G N 1.164 109.982 108.800 0.030 0.000 2.604 52 G HA2 -0.286 3.676 3.960 0.003 0.000 0.216 52 G HA3 -0.286 3.676 3.960 0.003 0.000 0.216 52 G C 1.497 176.400 174.900 0.004 0.000 1.265 52 G CA 1.046 46.157 45.100 0.018 0.000 0.804 52 G HN 0.374 nan 8.290 nan 0.000 0.579 53 L N 1.685 122.913 121.223 0.007 0.000 2.151 53 L HA -0.143 4.199 4.340 0.003 0.000 0.215 53 L C 3.004 179.872 176.870 -0.004 0.000 1.084 53 L CA 2.169 57.016 54.840 0.010 0.000 0.764 53 L CB -0.779 41.295 42.059 0.025 0.000 0.891 53 L HN 0.317 nan 8.230 nan 0.000 0.435 54 A N -0.614 122.192 122.820 -0.024 0.000 1.851 54 A HA -0.119 4.203 4.320 0.003 0.000 0.216 54 A C 2.379 179.943 177.584 -0.034 0.000 1.195 54 A CA 1.970 53.983 52.037 -0.041 0.000 0.622 54 A CB -1.642 17.310 19.000 -0.079 0.000 0.831 54 A HN 0.525 nan 8.150 nan 0.000 0.444 55 G N -0.635 108.151 108.800 -0.024 0.000 2.453 55 G HA2 -0.123 3.839 3.960 0.003 0.000 0.215 55 G HA3 -0.123 3.839 3.960 0.003 0.000 0.215 55 G C 1.531 176.415 174.900 -0.025 0.000 1.201 55 G CA 1.464 46.551 45.100 -0.022 0.000 0.784 55 G HN 0.370 nan 8.290 nan 0.000 0.545 56 V N 1.280 121.186 119.914 -0.014 0.000 2.277 56 V HA -0.286 3.836 4.120 0.003 0.000 0.255 56 V C 2.952 179.039 176.094 -0.011 0.000 1.074 56 V CA 2.076 64.372 62.300 -0.008 0.000 1.058 56 V CB -0.613 31.210 31.823 -0.000 0.000 0.656 56 V HN 0.374 nan 8.190 nan 0.000 0.449 57 L N -0.590 120.620 121.223 -0.022 0.000 2.093 57 L HA -0.177 4.165 4.340 0.003 0.000 0.208 57 L C 2.596 179.395 176.870 -0.118 0.000 1.085 57 L CA 1.861 56.673 54.840 -0.046 0.000 0.755 57 L CB -0.570 41.465 42.059 -0.040 0.000 0.904 57 L HN 0.459 nan 8.230 nan 0.000 0.435 58 E N 0.629 120.756 120.200 -0.121 0.000 2.047 58 E HA -0.225 4.127 4.350 0.003 0.000 0.191 58 E C 2.257 178.794 176.600 -0.104 0.000 0.987 58 E CA 1.091 57.398 56.400 -0.155 0.000 0.799 58 E CB 0.013 29.652 29.700 -0.101 0.000 0.752 58 E HN 0.428 nan 8.360 nan 0.000 0.449 59 A N 1.145 123.929 122.820 -0.059 0.000 1.986 59 A HA -0.208 4.114 4.320 0.003 0.000 0.220 59 A C 1.416 178.979 177.584 -0.036 0.000 1.171 59 A CA 2.029 54.043 52.037 -0.039 0.000 0.640 59 A CB -0.351 18.637 19.000 -0.019 0.000 0.811 59 A HN 0.271 nan 8.150 nan 0.000 0.451 60 D N -0.833 119.558 120.400 -0.016 0.000 2.339 60 D HA 0.159 4.800 4.640 0.003 0.000 0.217 60 D C 1.566 177.853 176.300 -0.022 0.000 1.050 60 D CA -0.024 53.995 54.000 0.032 0.000 0.856 60 D CB -0.087 40.841 40.800 0.214 0.000 0.922 60 D HN 0.411 nan 8.370 nan 0.000 0.518 61 L N 0.861 122.029 121.223 -0.091 0.000 2.079 61 L HA -0.131 4.210 4.340 0.003 0.000 0.210 61 L C -0.456 176.361 176.870 -0.089 0.000 1.081 61 L CA 1.413 56.176 54.840 -0.129 0.000 0.752 61 L CB -1.267 40.650 42.059 -0.236 0.000 0.896 61 L HN 0.069 nan 8.230 nan 0.000 0.433 62 P HA -0.168 nan 4.420 nan 0.000 0.213 62 P C 0.833 178.051 177.300 -0.136 0.000 1.176 62 P CA 1.679 64.721 63.100 -0.095 0.000 0.919 62 P CB -0.004 31.638 31.700 -0.097 0.000 0.791 63 N N -2.899 115.645 118.700 -0.260 0.000 2.251 63 N HA -0.057 4.685 4.740 0.003 0.000 0.181 63 N C 0.029 175.303 175.510 -0.395 0.000 1.019 63 N CA 0.762 53.555 53.050 -0.427 0.000 0.862 63 N CB -0.302 37.733 38.487 -0.754 0.000 0.992 63 N HN 0.160 nan 8.380 nan 0.000 0.429 64 Y N 0.618 120.915 120.300 -0.004 0.000 2.850 64 Y HA 0.369 4.921 4.550 0.003 0.000 0.360 64 Y C 1.051 176.958 175.900 0.011 0.000 1.174 64 Y CA -0.793 57.311 58.100 0.007 0.000 1.373 64 Y CB 0.282 38.746 38.460 0.007 0.000 1.487 64 Y HN -0.084 nan 8.280 nan 0.000 0.553 65 K N -0.125 120.353 120.400 0.129 0.000 2.099 65 K HA -0.047 4.275 4.320 0.003 0.000 0.203 65 K C 1.932 178.644 176.600 0.187 0.000 1.047 65 K CA 1.116 57.485 56.287 0.136 0.000 0.963 65 K CB 0.249 32.816 32.500 0.111 0.000 0.759 65 K HN 0.333 nan 8.250 nan 0.000 0.451 66 S N 1.199 116.988 115.700 0.147 0.000 2.359 66 S HA -0.166 4.306 4.470 0.003 0.000 0.224 66 S C 1.763 176.436 174.600 0.121 0.000 1.035 66 S CA 1.568 59.842 58.200 0.123 0.000 1.018 66 S CB -0.253 63.001 63.200 0.090 0.000 0.876 66 S HN 0.201 nan 8.310 nan 0.000 0.448 67 K N 1.741 122.217 120.400 0.127 0.000 1.985 67 K HA 0.068 4.390 4.320 0.003 0.000 0.210 67 K C 1.785 178.445 176.600 0.100 0.000 1.047 67 K CA 1.418 57.757 56.287 0.087 0.000 0.932 67 K CB -0.768 31.764 32.500 0.053 0.000 0.716 67 K HN 0.344 nan 8.250 nan 0.000 0.439 68 I N 0.444 121.098 120.570 0.140 0.000 2.335 68 I HA -0.253 3.919 4.170 0.003 0.000 0.251 68 I C 1.987 178.256 176.117 0.255 0.000 1.129 68 I CA 0.613 62.016 61.300 0.171 0.000 1.402 68 I CB -0.193 37.906 38.000 0.166 0.000 1.069 68 I HN 0.144 nan 8.210 nan 0.000 0.424 69 L N 0.409 121.797 121.223 0.276 0.000 2.156 69 L HA -0.123 4.218 4.340 0.003 0.000 0.208 69 L C 2.471 179.428 176.870 0.145 0.000 1.095 69 L CA 1.636 56.634 54.840 0.265 0.000 0.770 69 L CB -0.478 41.708 42.059 0.213 0.000 0.914 69 L HN 0.018 nan 8.230 nan 0.000 0.439 70 R N -1.124 119.432 120.500 0.093 0.000 2.052 70 R HA 0.012 4.353 4.340 0.003 0.000 0.226 70 R C 2.184 178.495 176.300 0.019 0.000 1.145 70 R CA 1.256 57.375 56.100 0.031 0.000 0.952 70 R CB -0.632 29.679 30.300 0.019 0.000 0.847 70 R HN 0.211 nan 8.270 nan 0.000 0.431 71 L N 0.443 121.684 121.223 0.030 0.000 2.051 71 L HA -0.267 4.075 4.340 0.003 0.000 0.214 71 L C 2.217 179.069 176.870 -0.029 0.000 1.076 71 L CA 1.464 56.301 54.840 -0.005 0.000 0.758 71 L CB -0.636 41.428 42.059 0.008 0.000 0.890 71 L HN 0.241 nan 8.230 nan 0.000 0.433 72 L N -1.403 119.852 121.223 0.053 0.000 2.109 72 L HA -0.206 4.136 4.340 0.003 0.000 0.207 72 L C 2.663 179.574 176.870 0.069 0.000 1.086 72 L CA 0.897 55.779 54.840 0.069 0.000 0.760 72 L CB -0.587 41.584 42.059 0.186 0.000 0.910 72 L HN 0.377 nan 8.230 nan 0.000 0.437 73 C N -0.552 118.786 119.300 0.062 0.000 2.432 73 C HA -0.116 4.346 4.460 0.003 0.000 0.282 73 C C 2.868 177.755 174.990 -0.172 0.000 1.388 73 C CA 1.195 60.119 59.018 -0.158 0.000 1.777 73 C CB -0.764 26.845 27.740 -0.218 0.000 1.882 73 C HN 0.534 nan 8.230 nan 0.000 0.520 74 T N 1.063 115.540 114.554 -0.128 0.000 2.735 74 T HA -0.126 4.226 4.350 0.003 0.000 0.256 74 T C 1.887 176.483 174.700 -0.173 0.000 1.042 74 T CA 1.795 63.819 62.100 -0.126 0.000 1.147 74 T CB -0.502 68.310 68.868 -0.093 0.000 0.865 74 T HN 0.462 nan 8.240 nan 0.000 0.421 75 V N 1.114 120.884 119.914 -0.241 0.000 2.660 75 V HA -0.058 4.064 4.120 0.003 0.000 0.257 75 V C 2.500 178.408 176.094 -0.309 0.000 1.088 75 V CA 1.459 63.547 62.300 -0.354 0.000 1.106 75 V CB -1.624 29.754 31.823 -0.743 0.000 0.686 75 V HN 0.438 nan 8.190 nan 0.000 0.481 76 A N 2.038 124.648 122.820 -0.350 0.000 1.929 76 A HA -0.055 4.267 4.320 0.003 0.000 0.216 76 A C 2.434 179.905 177.584 -0.187 0.000 1.176 76 A CA 1.510 53.258 52.037 -0.480 0.000 0.628 76 A CB -0.373 18.086 19.000 -0.902 0.000 0.816 76 A HN 0.786 nan 8.150 nan 0.000 0.444 77 R N -1.108 119.314 120.500 -0.130 0.000 2.334 77 R HA 0.412 4.753 4.340 0.003 0.000 0.212 77 R C 0.802 177.082 176.300 -0.034 0.000 0.897 77 R CA 0.408 56.506 56.100 -0.003 0.000 1.056 77 R CB -0.159 30.149 30.300 0.013 0.000 1.046 77 R HN 0.397 nan 8.270 nan 0.000 0.513 78 L N 0.067 121.233 121.223 -0.095 0.000 2.749 78 L HA 0.337 4.679 4.340 0.003 0.000 0.242 78 L C 0.808 177.603 176.870 -0.124 0.000 1.103 78 L CA -0.027 54.753 54.840 -0.101 0.000 0.906 78 L CB 0.632 42.648 42.059 -0.071 0.000 1.228 78 L HN 0.110 nan 8.230 nan 0.000 0.517 79 L N 1.742 122.903 121.223 -0.103 0.000 3.096 79 L HA 0.211 4.553 4.340 0.003 0.000 0.272 79 L C -1.209 175.678 176.870 0.029 0.000 1.311 79 L CA -0.879 53.948 54.840 -0.022 0.000 0.943 79 L CB 0.484 42.577 42.059 0.056 0.000 1.348 79 L HN -0.088 nan 8.230 nan 0.000 0.562 80 P HA -0.261 nan 4.420 nan 0.000 0.217 80 P C 1.064 178.407 177.300 0.072 0.000 1.151 80 P CA 1.508 64.562 63.100 -0.076 0.000 0.849 80 P CB 0.135 31.564 31.700 -0.451 0.000 0.787 81 E N 0.610 120.860 120.200 0.083 0.000 2.463 81 E HA -0.163 4.188 4.350 0.003 0.000 0.201 81 E C 0.993 177.728 176.600 0.225 0.000 1.045 81 E CA 1.143 57.657 56.400 0.189 0.000 0.872 81 E CB -0.393 29.421 29.700 0.190 0.000 0.797 81 E HN 0.217 nan 8.360 nan 0.000 0.538 82 K N 0.020 120.556 120.400 0.228 0.000 2.402 82 K HA 0.196 4.518 4.320 0.003 0.000 0.204 82 K C 1.238 178.008 176.600 0.284 0.000 1.056 82 K CA -0.171 56.265 56.287 0.249 0.000 1.069 82 K CB 0.097 32.814 32.500 0.362 0.000 0.888 82 K HN -0.003 nan 8.250 nan 0.000 0.546 83 L N 1.413 122.794 121.223 0.263 0.000 2.125 83 L HA -0.386 3.956 4.340 0.003 0.000 0.234 83 L C 1.799 178.748 176.870 0.132 0.000 1.110 83 L CA 2.864 57.832 54.840 0.214 0.000 0.832 83 L CB -1.309 40.733 42.059 -0.028 0.000 0.922 83 L HN 0.477 nan 8.230 nan 0.000 0.449 84 T N -3.598 111.044 114.554 0.147 0.000 3.055 84 T HA -0.008 4.344 4.350 0.003 0.000 0.265 84 T C 2.013 176.782 174.700 0.115 0.000 1.111 84 T CA 1.168 63.377 62.100 0.181 0.000 1.118 84 T CB -0.654 68.372 68.868 0.262 0.000 0.909 84 T HN 0.463 nan 8.240 nan 0.000 0.501 85 I N -0.590 119.991 120.570 0.019 0.000 2.353 85 I HA -0.034 4.138 4.170 0.003 0.000 0.248 85 I C 1.935 177.934 176.117 -0.197 0.000 1.119 85 I CA 1.210 62.425 61.300 -0.142 0.000 1.417 85 I CB -0.211 37.591 38.000 -0.329 0.000 1.078 85 I HN 0.189 nan 8.210 nan 0.000 0.421 86 Y N 0.697 121.091 120.300 0.157 0.000 2.448 86 Y HA -0.116 4.436 4.550 0.003 0.000 0.289 86 Y C 2.911 178.916 175.900 0.174 0.000 1.114 86 Y CA 1.270 59.493 58.100 0.206 0.000 1.235 86 Y CB -0.934 37.734 38.460 0.346 0.000 1.045 86 Y HN 0.224 nan 8.280 nan 0.000 0.554 87 T N -3.557 111.048 114.554 0.086 0.000 2.746 87 T HA -0.179 4.173 4.350 0.003 0.000 0.267 87 T C 1.937 176.612 174.700 -0.041 0.000 1.039 87 T CA 1.809 63.766 62.100 -0.238 0.000 1.142 87 T CB -0.997 67.597 68.868 -0.456 0.000 0.866 87 T HN 0.203 nan 8.240 nan 0.000 0.444 88 T N 2.589 117.190 114.554 0.077 0.000 2.607 88 T HA -0.094 4.258 4.350 0.003 0.000 0.267 88 T C 1.821 176.509 174.700 -0.019 0.000 1.049 88 T CA 1.601 63.756 62.100 0.092 0.000 1.162 88 T CB -0.764 68.175 68.868 0.118 0.000 0.863 88 T HN 0.253 nan 8.240 nan 0.000 0.424 89 L N 1.346 122.563 121.223 -0.009 0.000 2.051 89 L HA -0.101 4.240 4.340 0.003 0.000 0.214 89 L C 2.306 179.168 176.870 -0.013 0.000 1.076 89 L CA 1.600 56.433 54.840 -0.012 0.000 0.758 89 L CB -0.668 41.440 42.059 0.082 0.000 0.890 89 L HN 0.134 nan 8.230 nan 0.000 0.433 90 V N -0.135 119.755 119.914 -0.040 0.000 3.241 90 V HA -0.087 4.035 4.120 0.003 0.000 0.269 90 V C 2.261 178.305 176.094 -0.083 0.000 1.151 90 V CA 1.237 63.435 62.300 -0.170 0.000 1.158 90 V CB -1.139 30.444 31.823 -0.399 0.000 0.764 90 V HN 0.651 nan 8.190 nan 0.000 0.508 91 G N -0.353 108.421 108.800 -0.044 0.000 2.524 91 G HA2 -0.034 3.927 3.960 0.003 0.000 0.210 91 G HA3 -0.034 3.927 3.960 0.003 0.000 0.210 91 G C 1.328 176.225 174.900 -0.006 0.000 1.187 91 G CA 0.075 45.169 45.100 -0.011 0.000 0.825 91 G HN 0.277 nan 8.290 nan 0.000 0.558 92 L N 0.348 121.529 121.223 -0.071 0.000 2.089 92 L HA -0.108 4.234 4.340 0.003 0.000 0.213 92 L C 2.878 179.740 176.870 -0.015 0.000 1.079 92 L CA 1.194 55.973 54.840 -0.101 0.000 0.758 92 L CB -1.205 40.714 42.059 -0.232 0.000 0.891 92 L HN 0.141 nan 8.230 nan 0.000 0.433 93 L N -0.358 120.883 121.223 0.031 0.000 2.023 93 L HA -0.141 4.201 4.340 0.003 0.000 0.205 93 L C 2.284 179.258 176.870 0.173 0.000 1.073 93 L CA 1.619 56.528 54.840 0.115 0.000 0.745 93 L CB -1.271 40.939 42.059 0.252 0.000 0.900 93 L HN 0.304 nan 8.230 nan 0.000 0.435 94 N N -0.069 118.725 118.700 0.157 0.000 2.334 94 N HA -0.161 4.580 4.740 0.003 0.000 0.187 94 N C 1.298 176.908 175.510 0.167 0.000 1.016 94 N CA 1.041 54.192 53.050 0.167 0.000 0.879 94 N CB 0.002 38.558 38.487 0.116 0.000 0.965 94 N HN 0.331 nan 8.380 nan 0.000 0.438 95 A N -0.642 122.245 122.820 0.112 0.000 2.370 95 A HA 0.283 4.605 4.320 0.003 0.000 0.238 95 A C 1.110 178.742 177.584 0.080 0.000 1.289 95 A CA -0.159 51.932 52.037 0.090 0.000 0.885 95 A CB 0.057 19.087 19.000 0.049 0.000 0.961 95 A HN 0.338 nan 8.150 nan 0.000 0.499 96 R N -1.335 119.224 120.500 0.098 0.000 2.471 96 R HA 0.179 4.520 4.340 0.003 0.000 0.326 96 R C -0.336 176.023 176.300 0.097 0.000 0.875 96 R CA 0.156 56.300 56.100 0.074 0.000 1.102 96 R CB 0.155 30.476 30.300 0.035 0.000 1.749 96 R HN 0.453 nan 8.270 nan 0.000 0.487 97 N N 0.169 118.968 118.700 0.164 0.000 3.211 97 N HA -0.044 4.698 4.740 0.003 0.000 0.183 97 N C 0.023 175.715 175.510 0.302 0.000 1.447 97 N CA -0.131 53.042 53.050 0.206 0.000 0.840 97 N CB 0.151 38.729 38.487 0.152 0.000 1.611 97 N HN 0.063 nan 8.380 nan 0.000 0.610 98 Y N 2.419 122.828 120.300 0.181 0.000 2.029 98 Y HA -0.402 4.149 4.550 0.003 0.000 0.269 98 Y C 1.763 177.847 175.900 0.305 0.000 1.201 98 Y CA 2.289 60.529 58.100 0.233 0.000 1.115 98 Y CB -0.158 38.374 38.460 0.119 0.000 0.945 98 Y HN 0.527 nan 8.280 nan 0.000 0.497 99 N N -0.311 118.619 118.700 0.384 0.000 2.258 99 N HA -0.229 4.513 4.740 0.003 0.000 0.187 99 N C 1.734 177.351 175.510 0.178 0.000 1.012 99 N CA 1.644 54.850 53.050 0.260 0.000 0.870 99 N CB -0.715 37.928 38.487 0.259 0.000 0.977 99 N HN 0.464 nan 8.380 nan 0.000 0.434 100 F N 1.611 121.589 119.950 0.047 0.000 2.060 100 F HA 0.038 4.567 4.527 0.003 0.000 0.295 100 F C 2.395 178.178 175.800 -0.027 0.000 1.120 100 F CA 1.529 59.543 58.000 0.024 0.000 1.205 100 F CB -0.976 38.044 39.000 0.033 0.000 0.986 100 F HN -0.035 nan 8.300 nan 0.000 0.470 101 G N -0.299 108.389 108.800 -0.187 0.000 2.469 101 G HA2 -0.275 3.687 3.960 0.003 0.000 0.220 101 G HA3 -0.275 3.687 3.960 0.003 0.000 0.220 101 G C 1.911 176.418 174.900 -0.655 0.000 1.136 101 G CA 0.842 45.692 45.100 -0.417 0.000 0.759 101 G HN 0.675 nan 8.290 nan 0.000 0.562 102 G N 0.312 108.681 108.800 -0.718 0.000 2.422 102 G HA2 -0.066 3.896 3.960 0.003 0.000 0.218 102 G HA3 -0.066 3.896 3.960 0.003 0.000 0.218 102 G C 1.631 176.359 174.900 -0.285 0.000 1.140 102 G CA 1.013 45.745 45.100 -0.613 0.000 0.775 102 G HN 0.552 nan 8.290 nan 0.000 0.545 103 E N -0.490 119.584 120.200 -0.211 0.000 2.076 103 E HA -0.009 4.343 4.350 0.003 0.000 0.190 103 E C 2.044 178.532 176.600 -0.186 0.000 0.979 103 E CA 0.319 56.638 56.400 -0.135 0.000 0.807 103 E CB -0.188 29.490 29.700 -0.036 0.000 0.761 103 E HN 0.419 nan 8.360 nan 0.000 0.454 104 F N 1.998 121.679 119.950 -0.448 0.000 2.046 104 F HA -0.240 4.288 4.527 0.003 0.000 0.297 104 F C 2.179 177.827 175.800 -0.254 0.000 1.123 104 F CA 1.276 59.037 58.000 -0.398 0.000 1.199 104 F CB -0.373 38.307 39.000 -0.533 0.000 0.972 104 F HN -0.235 nan 8.300 nan 0.000 0.474 105 V N 0.602 120.408 119.914 -0.180 0.000 2.688 105 V HA -0.261 3.861 4.120 0.003 0.000 0.256 105 V C 2.345 178.316 176.094 -0.205 0.000 1.084 105 V CA 1.999 64.184 62.300 -0.191 0.000 1.103 105 V CB -0.724 30.997 31.823 -0.170 0.000 0.688 105 V HN 0.382 nan 8.190 nan 0.000 0.480 106 E N 0.159 120.238 120.200 -0.200 0.000 2.076 106 E HA -0.086 4.266 4.350 0.003 0.000 0.190 106 E C 2.408 178.911 176.600 -0.162 0.000 0.979 106 E CA 1.315 57.632 56.400 -0.139 0.000 0.807 106 E CB -0.266 29.372 29.700 -0.103 0.000 0.761 106 E HN 0.575 nan 8.360 nan 0.000 0.454 107 A N 1.773 124.450 122.820 -0.238 0.000 1.845 107 A HA -0.188 4.134 4.320 0.003 0.000 0.215 107 A C 2.216 179.632 177.584 -0.280 0.000 1.195 107 A CA 1.585 53.472 52.037 -0.251 0.000 0.616 107 A CB -0.504 18.311 19.000 -0.308 0.000 0.832 107 A HN 0.131 nan 8.150 nan 0.000 0.443 108 M N -0.172 119.160 119.600 -0.447 0.000 2.103 108 M HA -0.205 4.277 4.480 0.003 0.000 0.255 108 M C 2.055 178.273 176.300 -0.137 0.000 1.074 108 M CA 1.575 56.660 55.300 -0.359 0.000 1.090 108 M CB -1.302 31.051 32.600 -0.412 0.000 1.325 108 M HN 0.378 nan 8.290 nan 0.000 0.403 109 I N -1.057 119.461 120.570 -0.087 0.000 2.315 109 I HA -0.235 3.936 4.170 0.003 0.000 0.248 109 I C 2.502 178.634 176.117 0.024 0.000 1.117 109 I CA 1.205 62.524 61.300 0.033 0.000 1.404 109 I CB -1.256 36.771 38.000 0.045 0.000 1.071 109 I HN 0.384 nan 8.210 nan 0.000 0.419 110 R N 1.064 121.538 120.500 -0.043 0.000 2.066 110 R HA -0.235 4.107 4.340 0.003 0.000 0.232 110 R C 2.389 178.663 176.300 -0.043 0.000 1.131 110 R CA 1.702 57.775 56.100 -0.045 0.000 0.955 110 R CB -0.225 30.035 30.300 -0.067 0.000 0.851 110 R HN 0.229 nan 8.270 nan 0.000 0.432 111 Q N 0.635 120.391 119.800 -0.074 0.000 2.135 111 Q HA -0.189 4.153 4.340 0.003 0.000 0.204 111 Q C 1.877 177.861 176.000 -0.027 0.000 0.981 111 Q CA 1.819 57.578 55.803 -0.074 0.000 0.856 111 Q CB -0.378 28.284 28.738 -0.127 0.000 0.902 111 Q HN 0.424 nan 8.270 nan 0.000 0.425 112 L N 0.147 121.384 121.223 0.023 0.000 2.109 112 L HA -0.039 4.303 4.340 0.003 0.000 0.207 112 L C 1.677 178.627 176.870 0.133 0.000 1.086 112 L CA 1.820 56.727 54.840 0.110 0.000 0.760 112 L CB -0.331 41.856 42.059 0.213 0.000 0.910 112 L HN 0.112 nan 8.230 nan 0.000 0.437 113 K N -0.452 120.013 120.400 0.108 0.000 2.211 113 K HA -0.126 4.196 4.320 0.003 0.000 0.203 113 K C 1.901 178.493 176.600 -0.013 0.000 1.050 113 K CA 1.489 57.811 56.287 0.059 0.000 0.945 113 K CB -0.093 32.399 32.500 -0.013 0.000 0.732 113 K HN 0.503 nan 8.250 nan 0.000 0.451 114 E N 0.535 120.714 120.200 -0.035 0.000 2.028 114 E HA -0.096 4.256 4.350 0.003 0.000 0.190 114 E C 2.153 178.685 176.600 -0.113 0.000 0.984 114 E CA 1.000 57.358 56.400 -0.071 0.000 0.800 114 E CB 0.007 29.668 29.700 -0.066 0.000 0.758 114 E HN 0.120 nan 8.360 nan 0.000 0.448 115 S N 1.346 116.980 115.700 -0.111 0.000 2.374 115 S HA -0.170 4.302 4.470 0.003 0.000 0.227 115 S C 2.083 176.476 174.600 -0.344 0.000 1.037 115 S CA 0.978 59.069 58.200 -0.182 0.000 1.024 115 S CB -0.267 62.859 63.200 -0.124 0.000 0.861 115 S HN 0.158 nan 8.310 nan 0.000 0.456 116 L N 1.247 122.294 121.223 -0.293 0.000 2.017 116 L HA -0.180 4.162 4.340 0.003 0.000 0.208 116 L C 2.471 179.097 176.870 -0.406 0.000 1.073 116 L CA 1.578 56.149 54.840 -0.448 0.000 0.745 116 L CB -0.546 41.478 42.059 -0.058 0.000 0.894 116 L HN 0.339 nan 8.230 nan 0.000 0.432 117 K N 0.710 120.986 120.400 -0.208 0.000 2.209 117 K HA -0.074 4.247 4.320 0.003 0.000 0.204 117 K C 1.571 178.050 176.600 -0.202 0.000 1.048 117 K CA 1.511 57.703 56.287 -0.158 0.000 0.940 117 K CB -0.534 31.907 32.500 -0.100 0.000 0.729 117 K HN 0.157 nan 8.250 nan 0.000 0.451 118 A N 0.905 123.579 122.820 -0.242 0.000 2.278 118 A HA 0.143 4.465 4.320 0.003 0.000 0.212 118 A C -0.099 177.308 177.584 -0.294 0.000 1.213 118 A CA -0.005 51.899 52.037 -0.222 0.000 0.840 118 A CB -0.529 18.366 19.000 -0.175 0.000 0.866 118 A HN 0.450 nan 8.150 nan 0.000 0.489 119 N N -0.307 118.114 118.700 -0.465 0.000 2.741 119 N HA -0.174 4.567 4.740 0.003 0.000 0.251 119 N C -0.510 174.690 175.510 -0.516 0.000 1.112 119 N CA 1.317 54.042 53.050 -0.542 0.000 0.750 119 N CB -2.162 36.172 38.487 -0.255 0.000 1.119 119 N HN 0.818 nan 8.380 nan 0.000 0.561 120 N N 0.077 118.446 118.700 -0.551 0.000 2.994 120 N HA 0.132 4.874 4.740 0.003 0.000 0.306 120 N C 0.523 175.782 175.510 -0.419 0.000 1.348 120 N CA -0.366 52.475 53.050 -0.349 0.000 1.109 120 N CB 0.015 38.371 38.487 -0.219 0.000 1.415 120 N HN 0.214 nan 8.380 nan 0.000 0.529 121 Y N 0.894 120.942 120.300 -0.419 0.000 2.193 121 Y HA -0.243 4.309 4.550 0.003 0.000 0.285 121 Y C 2.063 177.761 175.900 -0.336 0.000 1.166 121 Y CA 1.069 58.745 58.100 -0.706 0.000 1.181 121 Y CB -0.172 37.587 38.460 -1.168 0.000 0.976 121 Y HN 0.407 nan 8.280 nan 0.000 0.520 122 N N 0.021 118.686 118.700 -0.057 0.000 2.244 122 N HA -0.180 4.562 4.740 0.003 0.000 0.183 122 N C 1.802 177.213 175.510 -0.165 0.000 1.016 122 N CA 1.287 54.313 53.050 -0.040 0.000 0.866 122 N CB -0.274 38.210 38.487 -0.005 0.000 0.980 122 N HN 0.550 nan 8.380 nan 0.000 0.430 123 E N 0.839 121.034 120.200 -0.009 0.000 2.107 123 E HA -0.001 4.351 4.350 0.003 0.000 0.191 123 E C 1.925 178.593 176.600 0.114 0.000 0.982 123 E CA 0.649 57.139 56.400 0.149 0.000 0.809 123 E CB 0.064 29.818 29.700 0.090 0.000 0.756 123 E HN 0.279 nan 8.360 nan 0.000 0.459 124 A N 0.563 123.413 122.820 0.051 0.000 1.851 124 A HA -0.199 4.123 4.320 0.003 0.000 0.216 124 A C 2.405 180.177 177.584 0.312 0.000 1.195 124 A CA 1.684 53.824 52.037 0.172 0.000 0.622 124 A CB -1.046 18.025 19.000 0.118 0.000 0.831 124 A HN 0.216 nan 8.150 nan 0.000 0.444 125 V N -0.991 119.156 119.914 0.388 0.000 2.313 125 V HA -0.361 3.760 4.120 0.003 0.000 0.253 125 V C 2.460 178.641 176.094 0.145 0.000 1.070 125 V CA 2.451 64.908 62.300 0.262 0.000 1.057 125 V CB -1.156 30.766 31.823 0.164 0.000 0.653 125 V HN 0.688 nan 8.190 nan 0.000 0.450 126 Y N -0.612 119.828 120.300 0.234 0.000 2.352 126 Y HA -0.082 4.470 4.550 0.003 0.000 0.292 126 Y C 2.129 178.131 175.900 0.170 0.000 1.136 126 Y CA 0.806 59.002 58.100 0.161 0.000 1.227 126 Y CB -0.679 37.857 38.460 0.126 0.000 0.991 126 Y HN 0.194 nan 8.280 nan 0.000 0.545 127 L N -1.464 119.939 121.223 0.300 0.000 1.993 127 L HA -0.148 4.194 4.340 0.003 0.000 0.206 127 L C 2.326 179.349 176.870 0.254 0.000 1.074 127 L CA 0.754 55.729 54.840 0.225 0.000 0.746 127 L CB -1.035 41.114 42.059 0.151 0.000 0.896 127 L HN -0.059 nan 8.230 nan 0.000 0.435 128 V N 0.195 120.264 119.914 0.257 0.000 2.439 128 V HA -0.343 3.778 4.120 0.003 0.000 0.253 128 V C 2.621 178.854 176.094 0.232 0.000 1.074 128 V CA 2.016 64.465 62.300 0.247 0.000 1.076 128 V CB -0.762 31.285 31.823 0.373 0.000 0.664 128 V HN 0.435 nan 8.190 nan 0.000 0.461 129 R N -1.537 119.099 120.500 0.227 0.000 2.161 129 R HA -0.037 4.304 4.340 0.003 0.000 0.213 129 R C 2.130 178.476 176.300 0.077 0.000 1.055 129 R CA 0.827 57.011 56.100 0.139 0.000 0.996 129 R CB -0.126 30.197 30.300 0.038 0.000 0.901 129 R HN 0.499 nan 8.270 nan 0.000 0.456 130 F N 0.890 120.859 119.950 0.033 0.000 2.206 130 F HA -0.034 4.495 4.527 0.003 0.000 0.298 130 F C 1.637 177.471 175.800 0.058 0.000 1.090 130 F CA 1.093 59.116 58.000 0.039 0.000 1.323 130 F CB 0.006 39.064 39.000 0.097 0.000 1.028 130 F HN -0.067 nan 8.300 nan 0.000 0.492 131 L N -0.775 120.607 121.223 0.266 0.000 1.970 131 L HA -0.276 4.065 4.340 0.003 0.000 0.212 131 L C 2.600 179.485 176.870 0.024 0.000 1.071 131 L CA 1.572 56.494 54.840 0.137 0.000 0.751 131 L CB -1.219 40.876 42.059 0.059 0.000 0.889 131 L HN 0.044 nan 8.230 nan 0.000 0.432 132 S N -0.067 115.665 115.700 0.053 0.000 2.401 132 S HA -0.353 4.119 4.470 0.003 0.000 0.236 132 S C 1.639 176.265 174.600 0.043 0.000 1.058 132 S CA 2.267 60.529 58.200 0.104 0.000 1.151 132 S CB -0.559 62.803 63.200 0.270 0.000 1.049 132 S HN 0.505 nan 8.310 nan 0.000 0.432 133 D N 0.577 120.970 120.400 -0.012 0.000 2.309 133 D HA -0.032 4.610 4.640 0.003 0.000 0.212 133 D C 1.726 177.882 176.300 -0.239 0.000 0.968 133 D CA 0.529 54.488 54.000 -0.069 0.000 0.882 133 D CB -0.214 40.520 40.800 -0.110 0.000 0.918 133 D HN 0.340 nan 8.370 nan 0.000 0.503 134 L N -0.547 120.542 121.223 -0.223 0.000 2.131 134 L HA -0.131 4.211 4.340 0.003 0.000 0.210 134 L C 2.314 179.080 176.870 -0.173 0.000 1.092 134 L CA 0.414 55.132 54.840 -0.203 0.000 0.759 134 L CB -0.229 41.788 42.059 -0.071 0.000 0.903 134 L HN 0.053 nan 8.230 nan 0.000 0.435 135 V N 0.198 120.032 119.914 -0.134 0.000 2.469 135 V HA -0.320 3.802 4.120 0.003 0.000 0.251 135 V C 1.762 177.718 176.094 -0.231 0.000 1.064 135 V CA 2.038 64.255 62.300 -0.138 0.000 1.066 135 V CB -0.820 30.954 31.823 -0.082 0.000 0.667 135 V HN 0.590 nan 8.190 nan 0.000 0.461 136 N N -1.468 117.063 118.700 -0.281 0.000 2.515 136 N HA -0.055 4.686 4.740 0.003 0.000 0.185 136 N C 1.107 176.342 175.510 -0.458 0.000 1.109 136 N CA 0.766 53.594 53.050 -0.370 0.000 0.903 136 N CB -0.028 38.193 38.487 -0.445 0.000 0.969 136 N HN 0.405 nan 8.380 nan 0.000 0.450 137 C N 0.286 119.365 119.300 -0.368 0.000 2.884 137 C HA 0.179 4.641 4.460 0.003 0.000 0.287 137 C C -0.238 174.848 174.990 0.160 0.000 1.310 137 C CA -0.355 58.586 59.018 -0.128 0.000 1.725 137 C CB -1.666 25.944 27.740 -0.216 0.000 2.060 137 C HN 0.488 nan 8.230 nan 0.000 0.618 138 H N -0.951 118.077 119.070 -0.070 0.000 2.740 138 H HA -0.112 4.446 4.556 0.003 0.000 0.327 138 H C 0.484 175.829 175.328 0.029 0.000 1.077 138 H CA 0.769 56.816 56.048 -0.002 0.000 1.088 138 H CB -1.475 28.303 29.762 0.026 0.000 1.619 138 H HN 0.315 nan 8.280 nan 0.000 0.386 139 V N -0.233 119.735 119.914 0.090 0.000 3.180 139 V HA 0.216 4.338 4.120 0.003 0.000 0.246 139 V C 0.815 176.998 176.094 0.149 0.000 1.545 139 V CA 0.586 62.963 62.300 0.130 0.000 1.138 139 V CB 0.806 32.657 31.823 0.046 0.000 0.978 139 V HN 0.364 nan 8.190 nan 0.000 0.437 140 I N 0.939 121.543 120.570 0.057 0.000 2.545 140 I HA 0.685 4.857 4.170 0.003 0.000 0.292 140 I C 0.191 176.308 176.117 0.001 0.000 1.040 140 I CA -0.885 60.440 61.300 0.042 0.000 1.068 140 I CB 1.967 39.967 38.000 0.001 0.000 1.251 140 I HN 0.118 nan 8.210 nan 0.000 0.424 141 A N 4.338 127.165 122.820 0.013 0.000 2.505 141 A HA 0.378 4.699 4.320 0.003 0.000 0.271 141 A C 1.450 179.010 177.584 -0.040 0.000 1.112 141 A CA 0.507 52.537 52.037 -0.012 0.000 0.781 141 A CB 0.189 19.191 19.000 0.002 0.000 1.059 141 A HN 1.029 nan 8.150 nan 0.000 0.508 142 A N 5.056 127.841 122.820 -0.058 0.000 1.940 142 A HA -0.166 4.155 4.320 0.003 0.000 0.221 142 A C -0.121 177.436 177.584 -0.045 0.000 1.190 142 A CA 2.350 54.352 52.037 -0.058 0.000 0.647 142 A CB -1.571 17.387 19.000 -0.069 0.000 0.821 142 A HN 0.624 nan 8.150 nan 0.000 0.457 143 P HA -0.072 nan 4.420 nan 0.000 0.219 143 P C 1.848 179.119 177.300 -0.048 0.000 1.150 143 P CA 1.465 64.542 63.100 -0.039 0.000 0.814 143 P CB -0.057 31.623 31.700 -0.033 0.000 0.787 144 S N -1.195 114.475 115.700 -0.051 0.000 2.356 144 S HA -0.204 4.268 4.470 0.003 0.000 0.223 144 S C 1.892 176.415 174.600 -0.128 0.000 1.032 144 S CA 1.457 59.617 58.200 -0.066 0.000 1.005 144 S CB -0.785 62.389 63.200 -0.043 0.000 0.867 144 S HN -0.071 nan 8.310 nan 0.000 0.449 145 M N 1.384 120.895 119.600 -0.149 0.000 2.073 145 M HA -0.083 4.399 4.480 0.003 0.000 0.258 145 M C 1.899 178.017 176.300 -0.304 0.000 1.070 145 M CA 1.663 56.791 55.300 -0.286 0.000 1.103 145 M CB -0.833 31.666 32.600 -0.168 0.000 1.321 145 M HN 0.209 nan 8.290 nan 0.000 0.405 146 V N 0.513 120.377 119.914 -0.084 0.000 2.317 146 V HA -0.359 3.763 4.120 0.003 0.000 0.251 146 V C 2.534 178.579 176.094 -0.082 0.000 1.065 146 V CA 2.070 64.368 62.300 -0.003 0.000 1.049 146 V CB -1.903 29.924 31.823 0.007 0.000 0.651 146 V HN 0.678 nan 8.190 nan 0.000 0.450 147 A N -1.042 121.712 122.820 -0.110 0.000 1.933 147 A HA -0.255 4.067 4.320 0.003 0.000 0.218 147 A C 2.246 179.742 177.584 -0.147 0.000 1.175 147 A CA 2.349 54.327 52.037 -0.098 0.000 0.628 147 A CB -0.446 18.513 19.000 -0.069 0.000 0.814 147 A HN 0.545 nan 8.150 nan 0.000 0.444 148 M N -1.770 117.661 119.600 -0.282 0.000 2.064 148 M HA -0.048 4.433 4.480 0.003 0.000 0.260 148 M C 1.808 177.772 176.300 -0.560 0.000 1.073 148 M CA 1.766 56.806 55.300 -0.433 0.000 1.124 148 M CB -0.213 31.973 32.600 -0.690 0.000 1.326 148 M HN 0.347 nan 8.290 nan 0.000 0.410 149 F N 1.391 120.989 119.950 -0.588 0.000 2.154 149 F HA -0.246 4.282 4.527 0.003 0.000 0.301 149 F C 2.265 177.797 175.800 -0.447 0.000 1.087 149 F CA 1.688 59.298 58.000 -0.651 0.000 1.274 149 F CB -1.120 37.507 39.000 -0.623 0.000 1.009 149 F HN 0.312 nan 8.300 nan 0.000 0.485 150 E N -0.314 119.807 120.200 -0.131 0.000 2.160 150 E HA -0.215 4.137 4.350 0.003 0.000 0.195 150 E C 1.850 178.419 176.600 -0.053 0.000 0.991 150 E CA 1.157 57.494 56.400 -0.104 0.000 0.810 150 E CB -0.301 29.358 29.700 -0.067 0.000 0.742 150 E HN 0.484 nan 8.360 nan 0.000 0.466 151 N N -0.152 118.537 118.700 -0.018 0.000 2.376 151 N HA -0.056 4.685 4.740 0.003 0.000 0.177 151 N C 1.511 177.106 175.510 0.140 0.000 1.024 151 N CA 0.560 53.647 53.050 0.062 0.000 0.893 151 N CB 0.004 38.566 38.487 0.125 0.000 0.980 151 N HN 0.068 nan 8.380 nan 0.000 0.439 152 F N 1.784 121.675 119.950 -0.099 0.000 2.060 152 F HA -0.077 4.452 4.527 0.003 0.000 0.295 152 F C 2.502 178.207 175.800 -0.159 0.000 1.120 152 F CA 0.441 58.379 58.000 -0.103 0.000 1.205 152 F CB -1.077 38.007 39.000 0.139 0.000 0.986 152 F HN -0.240 nan 8.300 nan 0.000 0.470 153 V N -0.472 119.483 119.914 0.069 0.000 2.453 153 V HA -0.294 3.828 4.120 0.003 0.000 0.252 153 V C 2.254 178.279 176.094 -0.114 0.000 1.068 153 V CA 1.934 64.195 62.300 -0.065 0.000 1.070 153 V CB -1.132 30.623 31.823 -0.114 0.000 0.664 153 V HN 0.292 nan 8.190 nan 0.000 0.461 154 S N -0.105 115.545 115.700 -0.085 0.000 2.440 154 S HA -0.158 4.314 4.470 0.003 0.000 0.238 154 S C 1.949 176.468 174.600 -0.135 0.000 1.010 154 S CA 1.314 59.460 58.200 -0.090 0.000 0.972 154 S CB -0.267 62.900 63.200 -0.054 0.000 0.774 154 S HN 0.477 nan 8.310 nan 0.000 0.501 155 V N 2.398 122.190 119.914 -0.202 0.000 2.490 155 V HA -0.197 3.925 4.120 0.003 0.000 0.250 155 V C 2.877 178.835 176.094 -0.226 0.000 1.061 155 V CA 1.959 64.115 62.300 -0.239 0.000 1.064 155 V CB -1.752 29.862 31.823 -0.348 0.000 0.670 155 V HN 0.787 nan 8.190 nan 0.000 0.461 156 T N -1.921 112.453 114.554 -0.300 0.000 2.897 156 T HA -0.311 4.040 4.350 0.003 0.000 0.271 156 T C 1.727 176.327 174.700 -0.167 0.000 1.084 156 T CA 1.818 63.684 62.100 -0.390 0.000 1.123 156 T CB -0.274 68.282 68.868 -0.520 0.000 0.865 156 T HN 0.424 nan 8.240 nan 0.000 0.496 157 Q N 1.006 120.735 119.800 -0.118 0.000 2.163 157 Q HA 0.285 4.627 4.340 0.003 0.000 0.198 157 Q C 0.919 176.885 176.000 -0.055 0.000 0.954 157 Q CA 0.324 56.090 55.803 -0.063 0.000 0.851 157 Q CB -0.201 28.508 28.738 -0.049 0.000 0.928 157 Q HN 0.779 nan 8.270 nan 0.000 0.459 158 E N 1.441 121.598 120.200 -0.072 0.000 2.975 158 E HA -0.153 4.199 4.350 0.003 0.000 0.269 158 E C -0.698 175.877 176.600 -0.041 0.000 0.905 158 E CA 0.227 56.596 56.400 -0.053 0.000 0.967 158 E CB 0.416 30.076 29.700 -0.066 0.000 0.925 158 E HN 0.030 nan 8.360 nan 0.000 0.507 159 E N 3.476 123.664 120.200 -0.021 0.000 2.216 159 E HA 0.098 4.450 4.350 0.003 0.000 0.279 159 E C -0.606 175.989 176.600 -0.008 0.000 0.997 159 E CA -0.376 56.015 56.400 -0.014 0.000 0.817 159 E CB 1.177 30.875 29.700 -0.005 0.000 1.096 159 E HN 0.511 nan 8.360 nan 0.000 0.393 160 D N 0.154 120.544 120.400 -0.018 0.000 2.716 160 D HA -0.143 4.499 4.640 0.003 0.000 0.239 160 D C -0.631 175.644 176.300 -0.041 0.000 1.125 160 D CA 0.787 54.778 54.000 -0.015 0.000 0.681 160 D CB -1.312 39.499 40.800 0.017 0.000 1.070 160 D HN 0.239 nan 8.370 nan 0.000 0.432 161 V N -3.640 116.202 119.914 -0.120 0.000 2.823 161 V HA 0.827 4.949 4.120 0.003 0.000 0.312 161 V C -2.418 173.483 176.094 -0.321 0.000 1.072 161 V CA -2.227 59.893 62.300 -0.300 0.000 0.937 161 V CB 2.220 33.883 31.823 -0.268 0.000 1.013 161 V HN -0.219 nan 8.190 nan 0.000 0.430 162 P HA 0.098 nan 4.420 nan 0.000 0.265 162 P C 0.608 177.726 177.300 -0.303 0.000 1.193 162 P CA 0.232 63.138 63.100 -0.324 0.000 0.765 162 P CB 0.562 32.077 31.700 -0.308 0.000 0.823 163 Q N 2.997 122.687 119.800 -0.184 0.000 2.181 163 Q HA -0.159 4.182 4.340 0.003 0.000 0.205 163 Q C 1.494 177.414 176.000 -0.133 0.000 0.980 163 Q CA 1.813 57.559 55.803 -0.096 0.000 0.862 163 Q CB -0.268 28.441 28.738 -0.049 0.000 0.905 163 Q HN 0.401 nan 8.270 nan 0.000 0.429 164 V N -1.198 118.589 119.914 -0.212 0.000 2.720 164 V HA -0.220 3.902 4.120 0.003 0.000 0.256 164 V C 2.277 178.158 176.094 -0.355 0.000 1.082 164 V CA 2.075 64.252 62.300 -0.206 0.000 1.101 164 V CB -0.903 30.820 31.823 -0.167 0.000 0.693 164 V HN 0.332 nan 8.190 nan 0.000 0.479 165 R N 0.773 120.864 120.500 -0.683 0.000 2.055 165 R HA -0.008 4.334 4.340 0.003 0.000 0.226 165 R C 2.634 178.756 176.300 -0.295 0.000 1.135 165 R CA 1.200 56.713 56.100 -0.978 0.000 0.959 165 R CB -0.257 29.262 30.300 -1.301 0.000 0.854 165 R HN 0.435 nan 8.270 nan 0.000 0.431 166 R N 0.515 120.873 120.500 -0.238 0.000 2.159 166 R HA -0.115 4.227 4.340 0.003 0.000 0.237 166 R C 1.619 177.828 176.300 -0.151 0.000 1.131 166 R CA 1.603 57.574 56.100 -0.214 0.000 0.982 166 R CB -0.230 29.890 30.300 -0.301 0.000 0.868 166 R HN 0.339 nan 8.270 nan 0.000 0.453 167 D N -0.295 120.103 120.400 -0.005 0.000 2.123 167 D HA -0.168 4.473 4.640 0.003 0.000 0.200 167 D C 1.397 177.745 176.300 0.080 0.000 0.976 167 D CA 0.767 54.828 54.000 0.102 0.000 0.831 167 D CB -0.296 40.590 40.800 0.144 0.000 0.974 167 D HN 0.252 nan 8.370 nan 0.000 0.469 168 W N 0.562 121.803 121.300 -0.099 0.000 2.358 168 W HA -0.231 4.430 4.660 0.003 0.000 0.303 168 W C 1.843 178.289 176.519 -0.122 0.000 1.208 168 W CA 1.317 58.585 57.345 -0.128 0.000 1.274 168 W CB -0.629 28.597 29.460 -0.389 0.000 1.138 168 W HN -0.016 nan 8.180 nan 0.000 0.515 169 Y N -0.457 119.677 120.300 -0.277 0.000 2.224 169 Y HA -0.241 4.311 4.550 0.003 0.000 0.289 169 Y C 2.509 178.270 175.900 -0.231 0.000 1.146 169 Y CA 2.009 59.830 58.100 -0.464 0.000 1.182 169 Y CB -1.167 37.121 38.460 -0.286 0.000 0.983 169 Y HN -0.245 nan 8.280 nan 0.000 0.524 170 V N -1.012 118.899 119.914 -0.004 0.000 2.343 170 V HA -0.325 3.797 4.120 0.003 0.000 0.247 170 V C 1.976 178.051 176.094 -0.031 0.000 1.051 170 V CA 2.035 64.360 62.300 0.041 0.000 1.036 170 V CB -0.912 30.909 31.823 -0.002 0.000 0.654 170 V HN 0.451 nan 8.190 nan 0.000 0.451 171 Y N 1.482 121.646 120.300 -0.226 0.000 2.145 171 Y HA -0.194 4.358 4.550 0.003 0.000 0.286 171 Y C 2.398 178.151 175.900 -0.246 0.000 1.145 171 Y CA 1.463 59.428 58.100 -0.226 0.000 1.148 171 Y CB -0.606 37.772 38.460 -0.136 0.000 0.981 171 Y HN 0.143 nan 8.280 nan 0.000 0.507 172 A N 0.119 122.658 122.820 -0.468 0.000 1.940 172 A HA -0.214 4.108 4.320 0.003 0.000 0.219 172 A C 2.143 179.699 177.584 -0.047 0.000 1.176 172 A CA 1.731 53.521 52.037 -0.411 0.000 0.631 172 A CB -1.466 17.049 19.000 -0.808 0.000 0.814 172 A HN 0.637 nan 8.150 nan 0.000 0.446 173 F N 0.457 120.310 119.950 -0.162 0.000 2.039 173 F HA -0.062 4.467 4.527 0.003 0.000 0.294 173 F C 1.761 177.283 175.800 -0.464 0.000 1.130 173 F CA 1.530 59.282 58.000 -0.413 0.000 1.189 173 F CB -0.971 37.843 39.000 -0.310 0.000 0.983 173 F HN 0.113 nan 8.300 nan 0.000 0.471 174 L N 1.024 121.762 121.223 -0.809 0.000 2.042 174 L HA -0.231 4.111 4.340 0.003 0.000 0.210 174 L C 2.764 179.294 176.870 -0.567 0.000 1.076 174 L CA 2.183 56.526 54.840 -0.827 0.000 0.749 174 L CB -1.534 40.193 42.059 -0.555 0.000 0.893 174 L HN 0.411 nan 8.230 nan 0.000 0.432 175 S N -2.649 112.741 115.700 -0.517 0.000 2.500 175 S HA -0.097 4.374 4.470 0.003 0.000 0.239 175 S C 1.945 176.600 174.600 0.091 0.000 0.989 175 S CA 1.108 59.116 58.200 -0.321 0.000 0.951 175 S CB -0.358 62.583 63.200 -0.430 0.000 0.759 175 S HN 0.372 nan 8.310 nan 0.000 0.523 176 S N 1.891 117.596 115.700 0.007 0.000 2.404 176 S HA 0.260 4.732 4.470 0.003 0.000 0.223 176 S C 1.723 176.480 174.600 0.262 0.000 1.040 176 S CA 0.527 58.880 58.200 0.256 0.000 0.957 176 S CB -0.485 62.851 63.200 0.228 0.000 0.826 176 S HN 0.447 nan 8.310 nan 0.000 0.491 177 L N 1.599 122.803 121.223 -0.032 0.000 2.103 177 L HA -0.163 4.178 4.340 0.003 0.000 0.215 177 L C -0.983 175.939 176.870 0.087 0.000 1.080 177 L CA 1.404 56.250 54.840 0.009 0.000 0.764 177 L CB -2.145 39.900 42.059 -0.024 0.000 0.890 177 L HN 0.223 nan 8.230 nan 0.000 0.435 178 P HA -0.189 nan 4.420 nan 0.000 0.221 178 P C 1.277 178.401 177.300 -0.293 0.000 1.145 178 P CA 1.483 64.438 63.100 -0.242 0.000 0.795 178 P CB -0.024 31.355 31.700 -0.535 0.000 0.775 179 W N -1.976 119.400 121.300 0.127 0.000 2.780 179 W HA 0.164 4.826 4.660 0.003 0.000 0.272 179 W C 2.116 178.701 176.519 0.110 0.000 1.116 179 W CA 0.305 57.735 57.345 0.143 0.000 1.600 179 W CB -0.949 28.601 29.460 0.150 0.000 1.086 179 W HN -0.281 nan 8.180 nan 0.000 0.584 180 V N 0.876 120.981 119.914 0.319 0.000 2.500 180 V HA 0.010 4.132 4.120 0.003 0.000 0.243 180 V C 2.338 178.452 176.094 0.034 0.000 1.039 180 V CA 2.411 64.819 62.300 0.180 0.000 1.053 180 V CB -0.832 31.135 31.823 0.241 0.000 0.695 180 V HN 0.162 nan 8.190 nan 0.000 0.463 181 G N 0.411 109.188 108.800 -0.038 0.000 2.816 181 G HA2 -0.524 3.438 3.960 0.003 0.000 0.229 181 G HA3 -0.524 3.438 3.960 0.003 0.000 0.229 181 G C 1.583 176.087 174.900 -0.659 0.000 1.158 181 G CA 1.906 46.749 45.100 -0.428 0.000 0.761 181 G HN 0.573 nan 8.290 nan 0.000 0.636 182 K N 0.409 120.697 120.400 -0.188 0.000 2.001 182 K HA -0.207 4.115 4.320 0.003 0.000 0.214 182 K C 2.462 179.001 176.600 -0.101 0.000 1.050 182 K CA 2.124 58.374 56.287 -0.062 0.000 0.934 182 K CB -0.276 32.302 32.500 0.129 0.000 0.718 182 K HN 0.507 nan 8.250 nan 0.000 0.443 183 E N -0.115 120.054 120.200 -0.051 0.000 2.230 183 E HA -0.106 4.246 4.350 0.003 0.000 0.192 183 E C 1.716 178.271 176.600 -0.075 0.000 0.987 183 E CA 0.214 56.590 56.400 -0.040 0.000 0.841 183 E CB 0.077 29.763 29.700 -0.023 0.000 0.783 183 E HN 0.252 nan 8.360 nan 0.000 0.481 184 L N 0.594 121.758 121.223 -0.100 0.000 2.622 184 L HA -0.038 4.304 4.340 0.003 0.000 0.233 184 L C 1.054 177.861 176.870 -0.104 0.000 1.156 184 L CA 1.008 55.806 54.840 -0.071 0.000 0.866 184 L CB -0.247 41.809 42.059 -0.005 0.000 0.980 184 L HN 0.256 nan 8.230 nan 0.000 0.448 185 Y N -0.788 119.287 120.300 -0.375 0.000 2.458 185 Y HA 0.066 4.618 4.550 0.003 0.000 0.254 185 Y C 2.194 177.978 175.900 -0.193 0.000 1.120 185 Y CA 0.520 58.385 58.100 -0.392 0.000 1.282 185 Y CB 0.203 38.227 38.460 -0.727 0.000 1.109 185 Y HN 0.467 nan 8.280 nan 0.000 0.526 186 E N 0.251 120.381 120.200 -0.117 0.000 2.274 186 E HA -0.097 4.255 4.350 0.003 0.000 0.194 186 E C 0.533 177.049 176.600 -0.140 0.000 0.996 186 E CA 0.598 56.932 56.400 -0.110 0.000 0.840 186 E CB 0.219 29.888 29.700 -0.052 0.000 0.772 186 E HN 0.080 nan 8.360 nan 0.000 0.491 187 K N 0.120 120.436 120.400 -0.141 0.000 2.378 187 K HA 0.212 4.534 4.320 0.003 0.000 0.244 187 K C -0.583 175.937 176.600 -0.133 0.000 1.039 187 K CA -0.694 55.521 56.287 -0.119 0.000 0.863 187 K CB 1.377 33.831 32.500 -0.076 0.000 1.326 187 K HN -0.206 nan 8.250 nan 0.000 0.460 188 K N 1.339 121.679 120.400 -0.099 0.000 2.971 188 K HA -0.216 4.105 4.320 0.003 0.000 0.247 188 K C 0.206 176.744 176.600 -0.103 0.000 0.885 188 K CA 1.314 57.553 56.287 -0.081 0.000 0.651 188 K CB -1.362 31.110 32.500 -0.046 0.000 1.321 188 K HN 0.766 nan 8.250 nan 0.000 0.484 189 D N -1.503 118.785 120.400 -0.187 0.000 2.190 189 D HA -0.235 4.407 4.640 0.003 0.000 0.200 189 D C 1.564 177.793 176.300 -0.118 0.000 0.992 189 D CA 1.479 55.330 54.000 -0.247 0.000 0.854 189 D CB -0.277 40.266 40.800 -0.428 0.000 0.936 189 D HN 0.354 nan 8.370 nan 0.000 0.462 190 A N 1.089 123.856 122.820 -0.088 0.000 1.865 190 A HA -0.235 4.087 4.320 0.003 0.000 0.217 190 A C 2.159 179.733 177.584 -0.016 0.000 1.191 190 A CA 2.045 54.055 52.037 -0.045 0.000 0.623 190 A CB -0.579 18.397 19.000 -0.040 0.000 0.826 190 A HN 0.184 nan 8.150 nan 0.000 0.444 191 E N -1.021 119.170 120.200 -0.015 0.000 2.230 191 E HA 0.080 4.431 4.350 0.003 0.000 0.192 191 E C 1.535 178.156 176.600 0.036 0.000 0.987 191 E CA 0.387 56.791 56.400 0.007 0.000 0.841 191 E CB -0.124 29.573 29.700 -0.005 0.000 0.783 191 E HN 0.375 nan 8.360 nan 0.000 0.481 192 M N 0.907 120.520 119.600 0.021 0.000 2.696 192 M HA 0.000 4.482 4.480 0.003 0.000 0.220 192 M C -0.075 176.226 176.300 0.002 0.000 1.133 192 M CA 0.874 56.212 55.300 0.062 0.000 1.016 192 M CB -0.145 32.479 32.600 0.039 0.000 1.740 192 M HN -0.028 nan 8.290 nan 0.000 0.502 193 D N -1.349 119.073 120.400 0.036 0.000 2.434 193 D HA 0.097 4.739 4.640 0.003 0.000 0.288 193 D C 1.804 178.192 176.300 0.146 0.000 1.083 193 D CA 0.230 54.255 54.000 0.042 0.000 0.903 193 D CB 0.270 41.086 40.800 0.027 0.000 1.476 193 D HN 0.223 nan 8.370 nan 0.000 0.502 194 R N 0.796 121.360 120.500 0.107 0.000 2.189 194 R HA -0.011 4.331 4.340 0.003 0.000 0.218 194 R C 1.412 177.791 176.300 0.132 0.000 1.074 194 R CA 0.688 56.849 56.100 0.101 0.000 0.991 194 R CB 0.083 30.415 30.300 0.053 0.000 0.883 194 R HN 0.077 nan 8.270 nan 0.000 0.457 195 I N 0.190 120.870 120.570 0.183 0.000 2.235 195 I HA -0.174 3.997 4.170 0.003 0.000 0.241 195 I C 1.835 178.153 176.117 0.336 0.000 1.085 195 I CA 1.047 62.456 61.300 0.182 0.000 1.378 195 I CB -1.250 36.819 38.000 0.116 0.000 1.076 195 I HN 0.059 nan 8.210 nan 0.000 0.415 196 F N 1.743 121.820 119.950 0.213 0.000 2.202 196 F HA -0.187 4.342 4.527 0.003 0.000 0.301 196 F C 2.611 178.502 175.800 0.152 0.000 1.082 196 F CA 1.129 59.296 58.000 0.278 0.000 1.313 196 F CB -1.152 38.085 39.000 0.395 0.000 1.024 196 F HN 0.043 nan 8.300 nan 0.000 0.495 197 A N 0.415 123.430 122.820 0.324 0.000 1.845 197 A HA -0.237 4.084 4.320 0.003 0.000 0.215 197 A C 2.042 179.683 177.584 0.095 0.000 1.195 197 A CA 2.128 54.275 52.037 0.184 0.000 0.616 197 A CB -1.024 18.060 19.000 0.140 0.000 0.832 197 A HN 0.387 nan 8.150 nan 0.000 0.443 198 N N -0.526 118.221 118.700 0.077 0.000 2.309 198 N HA -0.060 4.682 4.740 0.003 0.000 0.182 198 N C 1.599 177.115 175.510 0.010 0.000 1.018 198 N CA 1.649 54.720 53.050 0.035 0.000 0.876 198 N CB -0.428 38.069 38.487 0.017 0.000 0.972 198 N HN 0.521 nan 8.380 nan 0.000 0.434 199 T N 0.353 114.888 114.554 -0.031 0.000 2.639 199 T HA -0.152 4.200 4.350 0.003 0.000 0.261 199 T C 1.717 176.230 174.700 -0.311 0.000 1.053 199 T CA 1.315 63.316 62.100 -0.164 0.000 1.158 199 T CB -0.437 68.240 68.868 -0.318 0.000 0.863 199 T HN 0.285 nan 8.240 nan 0.000 0.413 200 E N 1.186 121.146 120.200 -0.399 0.000 2.086 200 E HA -0.217 4.135 4.350 0.003 0.000 0.205 200 E C 2.314 178.800 176.600 -0.190 0.000 1.027 200 E CA 1.956 58.145 56.400 -0.351 0.000 0.830 200 E CB -0.564 29.139 29.700 0.004 0.000 0.751 200 E HN 0.354 nan 8.360 nan 0.000 0.456 201 S N -1.469 114.184 115.700 -0.077 0.000 2.359 201 S HA -0.248 4.224 4.470 0.003 0.000 0.224 201 S C 1.970 176.533 174.600 -0.061 0.000 1.035 201 S CA 1.470 59.646 58.200 -0.040 0.000 1.018 201 S CB -0.741 62.463 63.200 0.006 0.000 0.876 201 S HN 0.592 nan 8.310 nan 0.000 0.448 202 Y N 1.978 122.188 120.300 -0.151 0.000 2.145 202 Y HA 0.010 4.562 4.550 0.003 0.000 0.286 202 Y C 1.990 177.781 175.900 -0.181 0.000 1.145 202 Y CA 1.678 59.689 58.100 -0.149 0.000 1.148 202 Y CB -0.582 37.788 38.460 -0.148 0.000 0.981 202 Y HN 0.265 nan 8.280 nan 0.000 0.507 203 L N 0.196 121.166 121.223 -0.421 0.000 2.127 203 L HA -0.244 4.097 4.340 0.003 0.000 0.211 203 L C 2.033 178.674 176.870 -0.382 0.000 1.089 203 L CA 1.708 56.248 54.840 -0.500 0.000 0.757 203 L CB -0.507 41.213 42.059 -0.564 0.000 0.899 203 L HN 0.232 nan 8.230 nan 0.000 0.434 204 K N -0.245 119.986 120.400 -0.281 0.000 2.426 204 K HA 0.019 4.341 4.320 0.003 0.000 0.193 204 K C 1.636 178.127 176.600 -0.182 0.000 1.028 204 K CA 0.270 56.448 56.287 -0.182 0.000 1.047 204 K CB 0.247 32.682 32.500 -0.108 0.000 0.821 204 K HN 0.284 nan 8.250 nan 0.000 0.513 205 R N 0.329 120.678 120.500 -0.252 0.000 2.365 205 R HA 0.144 4.485 4.340 0.003 0.000 0.223 205 R C 0.159 176.309 176.300 -0.251 0.000 0.899 205 R CA -0.192 55.785 56.100 -0.205 0.000 1.059 205 R CB 0.482 30.691 30.300 -0.152 0.000 1.086 205 R HN -0.036 nan 8.270 nan 0.000 0.522 206 R N 2.171 122.448 120.500 -0.373 0.000 2.543 206 R HA 0.010 4.352 4.340 0.003 0.000 0.277 206 R C 0.012 176.213 176.300 -0.165 0.000 1.074 206 R CA 0.069 55.977 56.100 -0.320 0.000 1.076 206 R CB 0.495 30.562 30.300 -0.389 0.000 0.993 206 R HN 0.195 nan 8.270 nan 0.000 0.459 207 Q N 2.060 121.801 119.800 -0.099 0.000 2.306 207 Q HA 0.206 4.547 4.340 0.003 0.000 0.241 207 Q C -0.471 175.508 176.000 -0.034 0.000 0.948 207 Q CA -0.536 55.228 55.803 -0.066 0.000 0.886 207 Q CB 0.998 29.707 28.738 -0.049 0.000 1.227 207 Q HN 0.285 nan 8.270 nan 0.000 0.457 208 K N 1.851 122.185 120.400 -0.110 0.000 2.792 208 K HA 0.155 4.477 4.320 0.003 0.000 0.207 208 K C 0.307 176.684 176.600 -0.371 0.000 1.103 208 K CA -0.217 55.900 56.287 -0.284 0.000 1.048 208 K CB 0.467 32.825 32.500 -0.236 0.000 0.777 208 K HN 0.655 nan 8.250 nan 0.000 0.468 209 T N 1.292 115.741 114.554 -0.176 0.000 2.849 209 T HA -0.152 4.200 4.350 0.003 0.000 0.270 209 T C 1.604 176.216 174.700 -0.148 0.000 1.066 209 T CA 1.618 63.639 62.100 -0.131 0.000 1.130 209 T CB -0.298 68.526 68.868 -0.074 0.000 0.864 209 T HN 0.488 nan 8.240 nan 0.000 0.481 210 H N 0.387 119.394 119.070 -0.104 0.000 2.502 210 H HA 0.168 4.726 4.556 0.003 0.000 0.283 210 H C 2.128 177.413 175.328 -0.072 0.000 1.015 210 H CA 0.460 56.445 56.048 -0.105 0.000 1.298 210 H CB -1.071 28.619 29.762 -0.120 0.000 1.411 210 H HN 0.225 nan 8.280 nan 0.000 0.556 211 V N 2.536 122.198 119.914 -0.420 0.000 2.252 211 V HA -0.210 3.912 4.120 0.003 0.000 0.249 211 V C -0.232 175.809 176.094 -0.088 0.000 1.056 211 V CA 2.412 64.587 62.300 -0.208 0.000 1.022 211 V CB -1.536 30.152 31.823 -0.224 0.000 0.641 211 V HN 0.406 nan 8.190 nan 0.000 0.445 212 P HA -0.199 nan 4.420 nan 0.000 0.217 212 P C 1.831 179.109 177.300 -0.037 0.000 1.148 212 P CA 1.679 64.752 63.100 -0.045 0.000 0.828 212 P CB -0.114 31.563 31.700 -0.039 0.000 0.783 213 M N -1.776 117.801 119.600 -0.039 0.000 2.506 213 M HA 0.022 4.504 4.480 0.003 0.000 0.260 213 M C 1.038 177.321 176.300 -0.029 0.000 1.104 213 M CA 1.388 56.670 55.300 -0.031 0.000 1.112 213 M CB -0.125 32.459 32.600 -0.028 0.000 1.401 213 M HN -0.106 nan 8.290 nan 0.000 0.473 214 L N -0.498 120.714 121.223 -0.019 0.000 2.638 214 L HA 0.218 4.559 4.340 0.003 0.000 0.232 214 L C 0.397 177.257 176.870 -0.017 0.000 1.099 214 L CA -0.207 54.624 54.840 -0.016 0.000 0.883 214 L CB 0.021 42.087 42.059 0.011 0.000 1.136 214 L HN 0.229 nan 8.230 nan 0.000 0.492 215 Q N 0.277 120.068 119.800 -0.016 0.000 2.332 215 Q HA 0.063 4.405 4.340 0.003 0.000 0.263 215 Q C 1.065 177.024 176.000 -0.068 0.000 0.979 215 Q CA -0.318 55.483 55.803 -0.004 0.000 0.885 215 Q CB 2.194 30.941 28.738 0.016 0.000 1.218 215 Q HN 0.014 nan 8.270 nan 0.000 0.405 216 V N 2.024 121.878 119.914 -0.100 0.000 2.548 216 V HA -0.073 4.048 4.120 0.003 0.000 0.249 216 V C 0.238 176.004 176.094 -0.546 0.000 1.055 216 V CA 1.051 63.115 62.300 -0.393 0.000 1.065 216 V CB -0.037 31.451 31.823 -0.559 0.000 0.681 216 V HN 0.658 nan 8.190 nan 0.000 0.462 217 W N -0.650 120.591 121.300 -0.098 0.000 3.022 217 W HA 0.366 5.028 4.660 0.003 0.000 0.335 217 W C 0.957 177.425 176.519 -0.086 0.000 1.133 217 W CA 0.035 57.309 57.345 -0.118 0.000 1.219 217 W CB 1.504 30.872 29.460 -0.152 0.000 1.409 217 W HN 0.045 nan 8.180 nan 0.000 0.507 218 T N -1.310 113.335 114.554 0.152 0.000 3.065 218 T HA 0.289 4.641 4.350 0.003 0.000 0.252 218 T C 0.772 175.502 174.700 0.050 0.000 1.099 218 T CA 0.199 62.343 62.100 0.073 0.000 1.063 218 T CB 0.186 69.081 68.868 0.044 0.000 0.948 218 T HN 0.353 nan 8.240 nan 0.000 0.506 219 A N 1.765 124.614 122.820 0.048 0.000 2.477 219 A HA 0.326 4.648 4.320 0.003 0.000 0.246 219 A C 0.946 178.497 177.584 -0.055 0.000 1.078 219 A CA -0.352 51.668 52.037 -0.029 0.000 0.770 219 A CB 0.116 19.061 19.000 -0.091 0.000 1.011 219 A HN 0.301 nan 8.150 nan 0.000 0.494 220 D N 0.961 121.322 120.400 -0.065 0.000 2.347 220 D HA 0.058 4.700 4.640 0.003 0.000 0.213 220 D C 0.120 176.344 176.300 -0.125 0.000 0.985 220 D CA 1.244 55.202 54.000 -0.071 0.000 0.879 220 D CB 0.282 41.049 40.800 -0.055 0.000 0.919 220 D HN 0.564 nan 8.370 nan 0.000 0.526 221 K N 0.268 120.568 120.400 -0.167 0.000 2.426 221 K HA 0.259 4.580 4.320 0.003 0.000 0.251 221 K C -1.752 174.659 176.600 -0.314 0.000 0.941 221 K CA -1.438 54.707 56.287 -0.236 0.000 0.808 221 K CB 2.793 35.179 32.500 -0.190 0.000 1.265 221 K HN -0.276 nan 8.250 nan 0.000 0.432 222 P HA -0.115 nan 4.420 nan 0.000 0.219 222 P C -0.434 176.463 177.300 -0.673 0.000 1.150 222 P CA 1.166 63.938 63.100 -0.548 0.000 0.814 222 P CB 0.332 31.635 31.700 -0.660 0.000 0.787 223 H N 0.256 119.150 119.070 -0.293 0.000 2.539 223 H HA 0.399 4.957 4.556 0.003 0.000 0.332 223 H C -2.390 172.826 175.328 -0.187 0.000 1.031 223 H CA -2.582 53.320 56.048 -0.243 0.000 1.206 223 H CB 1.248 30.833 29.762 -0.295 0.000 1.446 223 H HN 0.045 nan 8.280 nan 0.000 0.496 224 P HA 0.028 nan 4.420 nan 0.000 0.271 224 P C -0.166 177.155 177.300 0.035 0.000 1.216 224 P CA -0.339 62.761 63.100 -0.001 0.000 0.776 224 P CB 0.831 32.531 31.700 0.000 0.000 0.881 225 Q N 2.485 122.318 119.800 0.057 0.000 2.465 225 Q HA 0.214 4.555 4.340 0.003 0.000 0.237 225 Q C -0.190 175.861 176.000 0.084 0.000 1.051 225 Q CA -0.055 55.800 55.803 0.086 0.000 0.874 225 Q CB 0.638 29.451 28.738 0.125 0.000 1.207 225 Q HN 0.503 nan 8.270 nan 0.000 0.508 226 E N 1.301 121.563 120.200 0.103 0.000 2.343 226 E HA 0.118 4.469 4.350 0.003 0.000 0.269 226 E C -0.073 176.607 176.600 0.134 0.000 1.047 226 E CA -0.603 55.864 56.400 0.111 0.000 0.874 226 E CB 1.227 31.012 29.700 0.142 0.000 1.033 226 E HN 0.254 nan 8.360 nan 0.000 0.409 227 E N 2.078 122.347 120.200 0.114 0.000 2.414 227 E HA -0.109 4.243 4.350 0.003 0.000 0.263 227 E C 0.397 177.134 176.600 0.229 0.000 1.000 227 E CA 0.143 56.645 56.400 0.170 0.000 0.914 227 E CB 0.403 30.168 29.700 0.107 0.000 0.948 227 E HN 0.609 nan 8.360 nan 0.000 0.444 228 Y N 4.465 124.818 120.300 0.089 0.000 2.256 228 Y HA -0.197 4.355 4.550 0.003 0.000 0.288 228 Y C 1.622 177.603 175.900 0.134 0.000 1.155 228 Y CA 1.337 59.504 58.100 0.112 0.000 1.203 228 Y CB -0.477 38.023 38.460 0.065 0.000 0.980 228 Y HN 0.497 nan 8.280 nan 0.000 0.530 229 L N 0.031 120.946 121.223 -0.513 0.000 2.131 229 L HA -0.105 4.237 4.340 0.003 0.000 0.206 229 L C 2.018 178.807 176.870 -0.136 0.000 1.087 229 L CA 1.241 55.802 54.840 -0.465 0.000 0.767 229 L CB -0.442 41.313 42.059 -0.506 0.000 0.917 229 L HN 0.160 nan 8.230 nan 0.000 0.441 230 D N -0.858 119.510 120.400 -0.053 0.000 2.117 230 D HA -0.201 4.440 4.640 0.003 0.000 0.198 230 D C 2.166 178.480 176.300 0.023 0.000 0.982 230 D CA 1.161 55.177 54.000 0.026 0.000 0.828 230 D CB -0.377 40.441 40.800 0.029 0.000 0.967 230 D HN 0.339 nan 8.370 nan 0.000 0.464 231 C N 0.401 119.722 119.300 0.034 0.000 2.429 231 C HA -0.074 4.388 4.460 0.003 0.000 0.277 231 C C 2.617 177.570 174.990 -0.062 0.000 1.262 231 C CA 0.345 59.376 59.018 0.022 0.000 1.733 231 C CB -1.116 26.717 27.740 0.155 0.000 2.010 231 C HN 0.242 nan 8.230 nan 0.000 0.483 232 L N 0.368 121.579 121.223 -0.020 0.000 2.056 232 L HA -0.011 4.331 4.340 0.003 0.000 0.207 232 L C 2.220 179.009 176.870 -0.135 0.000 1.078 232 L CA 2.123 56.891 54.840 -0.120 0.000 0.749 232 L CB -1.093 40.897 42.059 -0.115 0.000 0.901 232 L HN 0.720 nan 8.230 nan 0.000 0.433 233 W N 0.271 121.395 121.300 -0.293 0.000 2.333 233 W HA -0.314 4.348 4.660 0.003 0.000 0.316 233 W C 2.158 178.489 176.519 -0.313 0.000 1.215 233 W CA 1.499 58.662 57.345 -0.303 0.000 1.278 233 W CB -0.093 29.221 29.460 -0.242 0.000 1.154 233 W HN 0.327 nan 8.180 nan 0.000 0.486 234 A N 0.488 123.084 122.820 -0.372 0.000 1.972 234 A HA -0.269 4.053 4.320 0.003 0.000 0.219 234 A C 1.857 179.092 177.584 -0.581 0.000 1.169 234 A CA 1.926 53.594 52.037 -0.615 0.000 0.635 234 A CB -0.873 17.610 19.000 -0.862 0.000 0.810 234 A HN 0.583 nan 8.150 nan 0.000 0.446 235 Q N -0.697 118.832 119.800 -0.452 0.000 2.083 235 Q HA -0.081 4.261 4.340 0.003 0.000 0.198 235 Q C 1.984 177.748 176.000 -0.394 0.000 0.969 235 Q CA 1.107 56.705 55.803 -0.341 0.000 0.838 235 Q CB -0.222 28.362 28.738 -0.256 0.000 0.900 235 Q HN 0.594 nan 8.270 nan 0.000 0.436 236 I N 1.301 121.599 120.570 -0.453 0.000 2.127 236 I HA -0.300 3.871 4.170 0.003 0.000 0.241 236 I C 2.346 178.097 176.117 -0.611 0.000 1.075 236 I CA 1.468 62.479 61.300 -0.483 0.000 1.334 236 I CB -1.411 36.322 38.000 -0.445 0.000 1.040 236 I HN 0.315 nan 8.210 nan 0.000 0.405 237 Q N 0.912 120.287 119.800 -0.707 0.000 2.029 237 Q HA -0.290 4.051 4.340 0.003 0.000 0.209 237 Q C 2.207 177.901 176.000 -0.509 0.000 0.999 237 Q CA 2.018 57.433 55.803 -0.647 0.000 0.857 237 Q CB -0.832 27.503 28.738 -0.672 0.000 0.926 237 Q HN 0.540 nan 8.270 nan 0.000 0.415 238 K N 0.383 120.538 120.400 -0.408 0.000 2.218 238 K HA -0.184 4.138 4.320 0.003 0.000 0.205 238 K C 2.069 178.454 176.600 -0.358 0.000 1.046 238 K CA 0.931 57.033 56.287 -0.307 0.000 0.933 238 K CB -0.097 32.281 32.500 -0.204 0.000 0.728 238 K HN 0.099 nan 8.250 nan 0.000 0.454 239 L N 1.465 122.411 121.223 -0.461 0.000 2.068 239 L HA -0.069 4.273 4.340 0.003 0.000 0.204 239 L C 2.321 178.668 176.870 -0.871 0.000 1.076 239 L CA 1.751 56.278 54.840 -0.522 0.000 0.753 239 L CB -0.594 41.185 42.059 -0.466 0.000 0.910 239 L HN 0.102 nan 8.230 nan 0.000 0.439 240 K N 0.060 119.691 120.400 -1.283 0.000 1.991 240 K HA -0.237 4.084 4.320 0.003 0.000 0.212 240 K C 1.992 178.070 176.600 -0.871 0.000 1.049 240 K CA 1.804 57.060 56.287 -1.718 0.000 0.932 240 K CB -0.352 31.424 32.500 -1.206 0.000 0.717 240 K HN 0.206 nan 8.250 nan 0.000 0.441 241 K N 0.521 120.589 120.400 -0.553 0.000 2.585 241 K HA -0.144 4.178 4.320 0.003 0.000 0.194 241 K C 0.000 176.439 176.600 -0.268 0.000 1.037 241 K CA 1.368 57.459 56.287 -0.325 0.000 0.964 241 K CB 0.041 32.388 32.500 -0.255 0.000 0.787 241 K HN 0.192 nan 8.250 nan 0.000 0.488 242 D N 1.084 121.283 120.400 -0.336 0.000 2.501 242 D HA 0.162 4.804 4.640 0.003 0.000 0.224 242 D C -0.365 175.831 176.300 -0.172 0.000 1.202 242 D CA -0.137 53.732 54.000 -0.217 0.000 0.829 242 D CB 0.238 40.916 40.800 -0.203 0.000 1.023 242 D HN 0.182 nan 8.370 nan 0.000 0.499 243 R N -1.117 119.254 120.500 -0.214 0.000 3.656 243 R HA -0.211 4.130 4.340 0.003 0.000 0.297 243 R C -0.625 175.758 176.300 0.138 0.000 1.166 243 R CA 0.416 56.510 56.100 -0.009 0.000 0.799 243 R CB -2.422 27.916 30.300 0.064 0.000 1.285 243 R HN 0.226 nan 8.270 nan 0.000 0.477 244 W N -0.678 120.546 121.300 -0.126 0.000 5.963 244 W HA -0.275 4.387 4.660 0.003 0.000 0.400 244 W C -0.288 176.192 176.519 -0.066 0.000 1.530 244 W CA 0.922 58.199 57.345 -0.114 0.000 1.004 244 W CB -2.014 27.381 29.460 -0.109 0.000 2.706 244 W HN 0.369 nan 8.180 nan 0.000 1.495 245 Q N 0.392 120.224 119.800 0.055 0.000 2.523 245 Q HA 0.346 4.688 4.340 0.003 0.000 0.251 245 Q C 0.347 176.343 176.000 -0.006 0.000 1.033 245 Q CA -0.749 55.080 55.803 0.042 0.000 0.746 245 Q CB 1.037 29.792 28.738 0.028 0.000 1.189 245 Q HN 0.281 nan 8.270 nan 0.000 0.508 246 E N 1.544 121.742 120.200 -0.004 0.000 2.283 246 E HA 0.282 4.633 4.350 0.003 0.000 0.267 246 E C -0.068 176.529 176.600 -0.005 0.000 1.045 246 E CA -0.939 55.446 56.400 -0.025 0.000 0.884 246 E CB 0.744 30.412 29.700 -0.054 0.000 1.106 246 E HN 0.482 nan 8.360 nan 0.000 0.408 247 R N 0.616 121.124 120.500 0.014 0.000 2.776 247 R HA 0.333 4.674 4.340 0.003 0.000 0.391 247 R C -0.393 175.949 176.300 0.070 0.000 1.116 247 R CA -0.341 55.773 56.100 0.024 0.000 1.056 247 R CB -0.234 30.075 30.300 0.015 0.000 1.369 247 R HN 0.731 nan 8.270 nan 0.000 0.590 248 H N 0.479 119.527 119.070 -0.036 0.000 1.955 248 H HA 0.378 4.936 4.556 0.003 0.000 0.196 248 H C 0.214 175.533 175.328 -0.015 0.000 0.891 248 H CA -0.045 55.992 56.048 -0.018 0.000 1.001 248 H CB 0.489 30.254 29.762 0.004 0.000 1.195 248 H HN 0.126 nan 8.280 nan 0.000 0.384 249 I N 4.056 124.627 120.570 0.001 0.000 3.076 249 I HA -0.124 4.047 4.170 0.003 0.000 0.287 249 I C -0.041 176.047 176.117 -0.047 0.000 1.204 249 I CA 0.497 61.794 61.300 -0.005 0.000 1.370 249 I CB -0.214 37.716 38.000 -0.116 0.000 1.444 249 I HN 0.266 nan 8.210 nan 0.000 0.549 250 L N 8.287 129.461 121.223 -0.081 0.000 2.490 250 L HA 0.123 4.465 4.340 0.003 0.000 0.274 250 L C 0.632 177.433 176.870 -0.117 0.000 1.201 250 L CA 0.242 55.012 54.840 -0.117 0.000 0.869 250 L CB -0.000 41.982 42.059 -0.128 0.000 1.123 250 L HN 0.576 nan 8.230 nan 0.000 0.484 251 R N 3.721 124.071 120.500 -0.250 0.000 2.487 251 R HA 0.248 4.590 4.340 0.003 0.000 0.288 251 R C -2.229 173.759 176.300 -0.521 0.000 1.394 251 R CA -1.610 54.120 56.100 -0.617 0.000 1.155 251 R CB 1.369 31.196 30.300 -0.789 0.000 1.156 251 R HN 0.351 nan 8.270 nan 0.000 0.553 252 P HA -0.139 nan 4.420 nan 0.000 0.219 252 P C 0.729 178.099 177.300 0.117 0.000 1.150 252 P CA 0.945 64.021 63.100 -0.040 0.000 0.814 252 P CB -0.048 31.689 31.700 0.062 0.000 0.787 253 Y N -1.358 119.060 120.300 0.197 0.000 2.665 253 Y HA 0.093 4.644 4.550 0.003 0.000 0.320 253 Y C 1.629 177.649 175.900 0.201 0.000 1.204 253 Y CA -0.170 58.064 58.100 0.224 0.000 1.315 253 Y CB -1.666 36.877 38.460 0.139 0.000 1.033 253 Y HN -0.033 nan 8.280 nan 0.000 0.509 254 L N 0.223 121.488 121.223 0.071 0.000 2.253 254 L HA 0.342 4.684 4.340 0.003 0.000 0.205 254 L C 2.130 179.017 176.870 0.027 0.000 1.078 254 L CA 0.991 55.865 54.840 0.058 0.000 0.805 254 L CB -0.231 41.778 42.059 -0.083 0.000 0.963 254 L HN 0.222 nan 8.230 nan 0.000 0.459 255 A N -1.150 121.637 122.820 -0.055 0.000 2.302 255 A HA 0.168 4.490 4.320 0.003 0.000 0.219 255 A C 0.367 177.678 177.584 -0.454 0.000 1.243 255 A CA 0.077 51.962 52.037 -0.254 0.000 0.856 255 A CB -0.547 18.232 19.000 -0.369 0.000 0.893 255 A HN 0.494 nan 8.150 nan 0.000 0.491 256 F N -1.487 118.484 119.950 0.034 0.000 2.810 256 F HA 0.186 4.715 4.527 0.003 0.000 0.353 256 F C 1.111 176.923 175.800 0.019 0.000 1.227 256 F CA -0.685 57.334 58.000 0.032 0.000 1.210 256 F CB 0.367 39.397 39.000 0.050 0.000 1.039 256 F HN 0.243 nan 8.300 nan 0.000 0.509 257 D N -0.167 120.305 120.400 0.119 0.000 2.178 257 D HA -0.144 4.498 4.640 0.003 0.000 0.201 257 D C 2.129 178.437 176.300 0.013 0.000 0.980 257 D CA 1.784 55.816 54.000 0.054 0.000 0.842 257 D CB 0.419 41.248 40.800 0.049 0.000 0.948 257 D HN 0.079 nan 8.370 nan 0.000 0.472 258 S N -0.464 115.255 115.700 0.032 0.000 2.359 258 S HA -0.189 4.282 4.470 0.003 0.000 0.223 258 S C 2.016 176.634 174.600 0.029 0.000 1.039 258 S CA 1.238 59.453 58.200 0.024 0.000 1.042 258 S CB -0.293 62.923 63.200 0.027 0.000 0.915 258 S HN 0.356 nan 8.310 nan 0.000 0.439 259 I N 1.016 121.631 120.570 0.076 0.000 2.188 259 I HA -0.096 4.076 4.170 0.003 0.000 0.237 259 I C 2.097 178.217 176.117 0.005 0.000 1.073 259 I CA 0.940 62.278 61.300 0.064 0.000 1.359 259 I CB -0.558 37.514 38.000 0.120 0.000 1.083 259 I HN 0.173 nan 8.210 nan 0.000 0.412 260 L N 0.546 121.766 121.223 -0.006 0.000 2.197 260 L HA -0.315 4.026 4.340 0.003 0.000 0.215 260 L C 2.867 179.522 176.870 -0.359 0.000 1.095 260 L CA 0.936 55.707 54.840 -0.116 0.000 0.764 260 L CB -0.662 41.352 42.059 -0.075 0.000 0.897 260 L HN 0.581 nan 8.230 nan 0.000 0.436 261 C N 1.463 120.568 119.300 -0.325 0.000 2.382 261 C HA -0.259 4.203 4.460 0.003 0.000 0.281 261 C C 2.728 177.643 174.990 -0.126 0.000 1.191 261 C CA 1.775 60.608 59.018 -0.307 0.000 1.772 261 C CB -0.932 26.738 27.740 -0.117 0.000 2.013 261 C HN 0.744 nan 8.230 nan 0.000 0.437 262 E N 1.153 121.325 120.200 -0.046 0.000 2.533 262 E HA 0.174 4.526 4.350 0.003 0.000 0.201 262 E C 0.594 177.213 176.600 0.032 0.000 1.097 262 E CA 0.549 56.952 56.400 0.004 0.000 0.887 262 E CB -0.186 29.519 29.700 0.008 0.000 0.855 262 E HN 0.700 nan 8.360 nan 0.000 0.540 263 A N 1.299 124.141 122.820 0.037 0.000 2.425 263 A HA 0.312 4.634 4.320 0.003 0.000 0.242 263 A C 0.014 177.679 177.584 0.136 0.000 1.077 263 A CA -0.331 51.765 52.037 0.099 0.000 0.781 263 A CB 0.330 19.396 19.000 0.111 0.000 1.020 263 A HN 0.391 nan 8.150 nan 0.000 0.494 264 L N 2.582 123.912 121.223 0.178 0.000 2.264 264 L HA 0.221 4.563 4.340 0.003 0.000 0.287 264 L C 0.021 176.991 176.870 0.168 0.000 1.039 264 L CA -0.563 54.380 54.840 0.172 0.000 0.829 264 L CB 0.791 42.930 42.059 0.132 0.000 1.211 264 L HN 0.813 nan 8.230 nan 0.000 0.427 265 Q N 2.263 122.134 119.800 0.118 0.000 2.584 265 Q HA 0.225 4.566 4.340 0.003 0.000 0.235 265 Q C -0.288 175.695 176.000 -0.029 0.000 1.079 265 Q CA 0.471 56.338 55.803 0.106 0.000 0.977 265 Q CB 0.623 29.409 28.738 0.080 0.000 1.293 265 Q HN 0.417 nan 8.270 nan 0.000 0.553 266 H N -0.522 118.571 119.070 0.038 0.000 2.824 266 H HA 0.485 5.042 4.556 0.003 0.000 0.345 266 H C -0.795 174.539 175.328 0.012 0.000 1.252 266 H CA -0.985 55.075 56.048 0.019 0.000 1.246 266 H CB 1.651 31.364 29.762 -0.082 0.000 1.908 266 H HN 0.464 nan 8.280 nan 0.000 0.601 267 N N 0.923 119.712 118.700 0.149 0.000 2.483 267 N HA 0.233 4.975 4.740 0.003 0.000 0.267 267 N C -0.778 174.761 175.510 0.048 0.000 0.998 267 N CA -0.556 52.536 53.050 0.069 0.000 0.918 267 N CB 1.355 39.872 38.487 0.051 0.000 1.215 267 N HN 0.256 nan 8.380 nan 0.000 0.500 268 L N 2.619 123.852 121.223 0.016 0.000 2.513 268 L HA 0.277 4.619 4.340 0.003 0.000 0.272 268 L C -1.696 175.188 176.870 0.023 0.000 1.187 268 L CA -1.393 53.453 54.840 0.009 0.000 0.895 268 L CB -0.359 41.684 42.059 -0.026 0.000 1.147 268 L HN 0.240 nan 8.230 nan 0.000 0.483 269 P HA 0.075 nan 4.420 nan 0.000 0.269 269 P C -2.372 174.960 177.300 0.054 0.000 1.217 269 P CA -0.800 62.321 63.100 0.035 0.000 0.783 269 P CB -0.227 31.488 31.700 0.024 0.000 0.898 270 P HA -0.008 nan 4.420 nan 0.000 0.257 270 P C -0.807 176.545 177.300 0.087 0.000 1.189 270 P CA 0.426 63.557 63.100 0.052 0.000 0.780 270 P CB -0.361 31.352 31.700 0.022 0.000 0.772 271 F N 4.262 124.211 119.950 -0.001 0.000 2.390 271 F HA 0.247 4.776 4.527 0.003 0.000 0.361 271 F C 0.109 175.952 175.800 0.073 0.000 1.124 271 F CA -0.103 57.926 58.000 0.048 0.000 1.149 271 F CB 0.546 39.589 39.000 0.072 0.000 1.160 271 F HN 0.074 nan 8.300 nan 0.000 0.501 272 T N 8.267 122.732 114.554 -0.147 0.000 2.853 272 T HA 0.284 4.635 4.350 0.003 0.000 0.317 272 T C -2.448 172.204 174.700 -0.080 0.000 1.059 272 T CA -1.301 60.785 62.100 -0.024 0.000 0.954 272 T CB 0.594 69.423 68.868 -0.065 0.000 0.994 272 T HN 0.339 nan 8.240 nan 0.000 0.479 273 P HA 0.083 nan 4.420 nan 0.000 0.261 273 P C -2.396 174.998 177.300 0.157 0.000 1.173 273 P CA -0.815 62.496 63.100 0.351 0.000 0.760 273 P CB -0.291 31.427 31.700 0.030 0.000 0.783 274 P HA 0.085 nan 4.420 nan 0.000 0.264 274 P C -2.246 175.156 177.300 0.170 0.000 1.193 274 P CA -0.581 62.602 63.100 0.137 0.000 0.763 274 P CB -0.615 31.177 31.700 0.153 0.000 0.810 275 P HA -0.029 nan 4.420 nan 0.000 0.264 275 P C -0.398 176.996 177.300 0.156 0.000 1.193 275 P CA 0.205 63.372 63.100 0.112 0.000 0.763 275 P CB 0.075 31.806 31.700 0.053 0.000 0.810 276 H N 2.108 121.260 119.070 0.137 0.000 3.107 276 H HA 0.185 4.742 4.556 0.003 0.000 0.301 276 H C 0.146 175.543 175.328 0.114 0.000 0.981 276 H CA 0.755 56.916 56.048 0.188 0.000 1.443 276 H CB 0.056 29.924 29.762 0.178 0.000 1.479 276 H HN 0.225 nan 8.280 nan 0.000 0.564 277 T N 2.880 117.167 114.554 -0.445 0.000 2.938 277 T HA 0.194 4.545 4.350 0.003 0.000 0.285 277 T C 0.887 175.287 174.700 -0.500 0.000 1.028 277 T CA -0.768 61.098 62.100 -0.390 0.000 1.005 277 T CB 1.169 69.934 68.868 -0.172 0.000 1.157 277 T HN 0.733 nan 8.240 nan 0.000 0.550 278 E N 0.575 120.622 120.200 -0.254 0.000 2.516 278 E HA 0.098 4.449 4.350 0.003 0.000 0.199 278 E C 0.385 176.923 176.600 -0.103 0.000 1.069 278 E CA 0.571 56.885 56.400 -0.143 0.000 0.876 278 E CB 0.039 29.698 29.700 -0.069 0.000 0.843 278 E HN 0.509 nan 8.360 nan 0.000 0.530 279 D N -1.103 119.220 120.400 -0.128 0.000 2.398 279 D HA 0.110 4.752 4.640 0.003 0.000 0.210 279 D C -0.398 175.822 176.300 -0.133 0.000 1.094 279 D CA 0.076 54.014 54.000 -0.104 0.000 0.839 279 D CB 0.493 41.238 40.800 -0.092 0.000 0.963 279 D HN -0.137 nan 8.370 nan 0.000 0.506 280 S N -0.006 115.594 115.700 -0.165 0.000 2.565 280 S HA 0.458 4.930 4.470 0.003 0.000 0.276 280 S C -0.133 174.271 174.600 -0.326 0.000 1.326 280 S CA -0.466 57.573 58.200 -0.269 0.000 1.045 280 S CB 1.726 64.799 63.200 -0.212 0.000 0.918 280 S HN -0.103 nan 8.310 nan 0.000 0.505 281 V N 3.695 123.323 119.914 -0.476 0.000 2.567 281 V HA 0.365 4.487 4.120 0.003 0.000 0.298 281 V C -1.535 174.326 176.094 -0.388 0.000 1.047 281 V CA -0.767 61.349 62.300 -0.307 0.000 0.880 281 V CB 0.788 32.528 31.823 -0.139 0.000 1.009 281 V HN 0.831 nan 8.190 nan 0.000 0.429 282 Y N 3.983 124.228 120.300 -0.091 0.000 2.457 282 Y HA 0.633 5.185 4.550 0.003 0.000 0.333 282 Y C -2.087 173.690 175.900 -0.205 0.000 1.119 282 Y CA -3.096 54.847 58.100 -0.262 0.000 1.143 282 Y CB 0.819 39.053 38.460 -0.376 0.000 1.230 282 Y HN 0.424 nan 8.280 nan 0.000 0.469 283 P HA -0.013 nan 4.420 nan 0.000 0.266 283 P C -0.468 176.740 177.300 -0.154 0.000 1.186 283 P CA 0.367 63.403 63.100 -0.106 0.000 0.767 283 P CB 0.466 32.111 31.700 -0.093 0.000 0.820 284 M N 4.340 123.811 119.600 -0.214 0.000 2.228 284 M HA 0.248 4.730 4.480 0.003 0.000 0.326 284 M C -1.717 174.356 176.300 -0.379 0.000 1.122 284 M CA -1.581 53.550 55.300 -0.281 0.000 1.161 284 M CB 0.186 32.607 32.600 -0.298 0.000 1.437 284 M HN 0.260 nan 8.290 nan 0.000 0.465 285 P HA 0.205 nan 4.420 nan 0.000 0.272 285 P C -1.211 175.793 177.300 -0.492 0.000 1.240 285 P CA 0.070 62.865 63.100 -0.508 0.000 0.791 285 P CB 0.714 32.074 31.700 -0.566 0.000 0.978 286 R N -0.346 119.787 120.500 -0.612 0.000 2.867 286 R HA 0.694 5.036 4.340 0.003 0.000 0.268 286 R C -1.127 175.179 176.300 0.010 0.000 1.014 286 R CA -1.173 54.738 56.100 -0.315 0.000 0.946 286 R CB 2.015 32.050 30.300 -0.442 0.000 1.208 286 R HN 0.190 nan 8.270 nan 0.000 0.477 287 V N 2.754 122.696 119.914 0.047 0.000 2.540 287 V HA 0.341 4.463 4.120 0.003 0.000 0.302 287 V C -0.163 176.019 176.094 0.148 0.000 1.035 287 V CA -0.885 61.487 62.300 0.121 0.000 0.873 287 V CB 1.957 33.834 31.823 0.089 0.000 0.992 287 V HN 0.538 nan 8.190 nan 0.000 0.428 288 I N 4.772 125.455 120.570 0.187 0.000 2.505 288 I HA 0.126 4.298 4.170 0.003 0.000 0.287 288 I C 0.055 176.303 176.117 0.218 0.000 1.104 288 I CA 0.278 61.706 61.300 0.214 0.000 1.387 288 I CB -0.020 38.113 38.000 0.223 0.000 1.404 288 I HN 0.562 nan 8.210 nan 0.000 0.528 289 F N 8.026 128.045 119.950 0.115 0.000 2.504 289 F HA 0.375 4.904 4.527 0.003 0.000 0.369 289 F C 0.369 176.242 175.800 0.122 0.000 1.082 289 F CA -0.174 57.903 58.000 0.129 0.000 1.216 289 F CB 0.385 39.449 39.000 0.107 0.000 1.108 289 F HN 0.485 nan 8.300 nan 0.000 0.554 290 R N 7.320 127.505 120.500 -0.525 0.000 2.533 290 R HA 0.383 4.725 4.340 0.003 0.000 0.288 290 R C -0.489 175.350 176.300 -0.768 0.000 1.039 290 R CA -0.371 55.441 56.100 -0.479 0.000 0.909 290 R CB 1.205 31.347 30.300 -0.263 0.000 1.195 290 R HN 0.847 nan 8.270 nan 0.000 0.438 291 M N 1.001 120.135 119.600 -0.776 0.000 2.139 291 M HA 0.486 4.968 4.480 0.003 0.000 0.343 291 M C -1.093 174.793 176.300 -0.691 0.000 0.886 291 M CA -0.102 54.730 55.300 -0.780 0.000 1.134 291 M CB 0.853 33.014 32.600 -0.732 0.000 2.064 291 M HN 0.189 nan 8.290 nan 0.000 0.699 292 F N 2.560 122.275 119.950 -0.392 0.000 2.523 292 F HA 0.727 5.256 4.527 0.003 0.000 0.329 292 F C -0.108 175.512 175.800 -0.300 0.000 1.061 292 F CA -1.434 56.426 58.000 -0.233 0.000 0.967 292 F CB 1.201 40.158 39.000 -0.073 0.000 1.218 292 F HN 0.207 nan 8.300 nan 0.000 0.480 293 D N -0.221 120.238 120.400 0.099 0.000 2.583 293 D HA 0.086 4.727 4.640 0.003 0.000 0.248 293 D C 0.211 176.463 176.300 -0.079 0.000 1.209 293 D CA -0.560 53.458 54.000 0.029 0.000 0.848 293 D CB 0.919 41.773 40.800 0.089 0.000 1.431 293 D HN 0.553 nan 8.370 nan 0.000 0.436 294 Y N -0.281 119.978 120.300 -0.068 0.000 2.365 294 Y HA -0.134 4.418 4.550 0.003 0.000 0.287 294 Y C 2.122 177.948 175.900 -0.122 0.000 1.162 294 Y CA 1.896 59.924 58.100 -0.121 0.000 1.260 294 Y CB -1.259 37.152 38.460 -0.082 0.000 0.976 294 Y HN 0.397 nan 8.280 nan 0.000 0.548 295 T N -3.529 110.578 114.554 -0.746 0.000 3.072 295 T HA -0.095 4.256 4.350 0.003 0.000 0.266 295 T C 1.147 175.703 174.700 -0.240 0.000 1.127 295 T CA 0.962 62.764 62.100 -0.498 0.000 1.107 295 T CB -0.414 68.147 68.868 -0.513 0.000 0.910 295 T HN 0.425 nan 8.240 nan 0.000 0.513 296 D N 1.383 121.658 120.400 -0.209 0.000 2.349 296 D HA 0.055 4.696 4.640 0.003 0.000 0.224 296 D C 0.203 176.338 176.300 -0.274 0.000 1.029 296 D CA 0.646 54.572 54.000 -0.124 0.000 0.879 296 D CB 0.132 40.953 40.800 0.036 0.000 0.906 296 D HN 0.490 nan 8.370 nan 0.000 0.528 297 D N -0.317 119.854 120.400 -0.381 0.000 2.849 297 D HA 0.080 4.721 4.640 0.003 0.000 0.314 297 D C -1.545 174.641 176.300 -0.190 0.000 1.210 297 D CA -1.437 52.312 54.000 -0.420 0.000 0.756 297 D CB 1.042 41.292 40.800 -0.915 0.000 1.222 297 D HN -0.137 nan 8.370 nan 0.000 0.521 298 P HA -0.194 nan 4.420 nan 0.000 0.214 298 P C -0.076 177.215 177.300 -0.015 0.000 1.169 298 P CA 1.144 64.227 63.100 -0.029 0.000 0.908 298 P CB 0.272 31.960 31.700 -0.019 0.000 0.791 299 E N 0.610 120.800 120.200 -0.017 0.000 2.028 299 E HA 0.464 4.815 4.350 0.003 0.000 0.275 299 E C 0.412 177.007 176.600 -0.007 0.000 1.171 299 E CA -0.456 55.942 56.400 -0.003 0.000 1.186 299 E CB -0.183 29.523 29.700 0.010 0.000 1.256 299 E HN 0.267 nan 8.360 nan 0.000 0.474 300 G N 2.419 111.206 108.800 -0.022 0.000 2.601 300 G HA2 0.261 4.223 3.960 0.003 0.000 0.291 300 G HA3 0.261 4.223 3.960 0.003 0.000 0.291 300 G C -2.959 171.929 174.900 -0.019 0.000 1.456 300 G CA -1.114 43.973 45.100 -0.022 0.000 0.804 300 G HN -0.002 nan 8.290 nan 0.000 0.499 301 P HA 0.158 nan 4.420 nan 0.000 0.261 301 P C 0.585 177.885 177.300 0.000 0.000 1.183 301 P CA 0.034 63.141 63.100 0.011 0.000 0.761 301 P CB 0.930 32.653 31.700 0.038 0.000 0.785 302 V N 5.183 125.094 119.914 -0.006 0.000 2.625 302 V HA -0.152 3.969 4.120 0.003 0.000 0.305 302 V C 1.331 177.434 176.094 0.015 0.000 1.055 302 V CA 0.699 62.991 62.300 -0.013 0.000 1.209 302 V CB -0.425 31.354 31.823 -0.074 0.000 0.877 302 V HN 0.649 nan 8.190 nan 0.000 0.489 303 M N 8.423 128.044 119.600 0.036 0.000 2.185 303 M HA 0.331 4.812 4.480 0.003 0.000 0.357 303 M C -2.248 174.104 176.300 0.087 0.000 1.260 303 M CA -1.518 53.818 55.300 0.061 0.000 1.124 303 M CB 1.161 33.746 32.600 -0.024 0.000 1.600 303 M HN 0.394 nan 8.290 nan 0.000 0.467 304 P HA 0.073 nan 4.420 nan 0.000 0.264 304 P C -0.306 177.049 177.300 0.091 0.000 1.183 304 P CA 0.062 63.210 63.100 0.080 0.000 0.763 304 P CB 0.365 32.109 31.700 0.073 0.000 0.807 305 G N 1.492 110.326 108.800 0.057 0.000 2.636 305 G HA2 0.048 4.010 3.960 0.003 0.000 0.246 305 G HA3 0.048 4.010 3.960 0.003 0.000 0.246 305 G C 1.087 176.034 174.900 0.077 0.000 1.216 305 G CA -0.355 44.785 45.100 0.066 0.000 0.854 305 G HN 0.406 nan 8.290 nan 0.000 0.572 306 S N -0.527 115.204 115.700 0.052 0.000 2.419 306 S HA -0.113 4.359 4.470 0.003 0.000 0.235 306 S C 1.435 176.150 174.600 0.191 0.000 1.019 306 S CA 1.079 59.322 58.200 0.071 0.000 0.982 306 S CB -0.234 62.952 63.200 -0.024 0.000 0.789 306 S HN 0.690 nan 8.310 nan 0.000 0.490 307 H N 0.513 119.591 119.070 0.014 0.000 2.505 307 H HA 0.252 4.810 4.556 0.003 0.000 0.289 307 H C 0.410 175.706 175.328 -0.052 0.000 1.052 307 H CA -0.432 55.602 56.048 -0.024 0.000 1.156 307 H CB 0.342 30.072 29.762 -0.053 0.000 1.507 307 H HN 0.289 nan 8.280 nan 0.000 0.548 308 S N 0.415 116.168 115.700 0.089 0.000 2.554 308 S HA 0.097 4.569 4.470 0.003 0.000 0.278 308 S C 1.635 176.245 174.600 0.018 0.000 1.242 308 S CA -0.601 57.609 58.200 0.016 0.000 1.051 308 S CB 1.825 65.033 63.200 0.014 0.000 0.986 308 S HN 0.165 nan 8.310 nan 0.000 0.502 309 V N 0.220 120.109 119.914 -0.043 0.000 2.626 309 V HA -0.056 4.066 4.120 0.003 0.000 0.252 309 V C 2.022 178.141 176.094 0.041 0.000 1.067 309 V CA 1.611 63.892 62.300 -0.032 0.000 1.081 309 V CB -1.487 30.257 31.823 -0.131 0.000 0.686 309 V HN 0.816 nan 8.190 nan 0.000 0.468 310 E N 0.756 120.956 120.200 0.000 0.000 2.118 310 E HA -0.184 4.168 4.350 0.003 0.000 0.195 310 E C 2.246 178.807 176.600 -0.064 0.000 0.992 310 E CA 1.451 57.822 56.400 -0.048 0.000 0.804 310 E CB -0.435 29.232 29.700 -0.056 0.000 0.741 310 E HN 0.531 nan 8.360 nan 0.000 0.458 311 R N -0.147 120.379 120.500 0.044 0.000 2.073 311 R HA -0.080 4.261 4.340 0.003 0.000 0.234 311 R C 1.964 178.350 176.300 0.145 0.000 1.134 311 R CA 1.257 57.418 56.100 0.101 0.000 0.952 311 R CB -0.938 29.459 30.300 0.162 0.000 0.850 311 R HN 0.281 nan 8.270 nan 0.000 0.433 312 F N 0.003 119.982 119.950 0.049 0.000 2.026 312 F HA -0.235 4.293 4.527 0.003 0.000 0.296 312 F C 2.021 177.892 175.800 0.117 0.000 1.133 312 F CA 2.013 60.073 58.000 0.101 0.000 1.188 312 F CB -0.714 38.331 39.000 0.074 0.000 0.968 312 F HN -0.140 nan 8.300 nan 0.000 0.476 313 V N 1.219 121.315 119.914 0.303 0.000 2.282 313 V HA -0.357 3.765 4.120 0.003 0.000 0.249 313 V C 2.440 178.596 176.094 0.103 0.000 1.057 313 V CA 2.323 64.756 62.300 0.222 0.000 1.032 313 V CB -0.700 31.233 31.823 0.183 0.000 0.645 313 V HN 0.446 nan 8.190 nan 0.000 0.447 314 I N -0.247 120.283 120.570 -0.066 0.000 2.226 314 I HA -0.250 3.922 4.170 0.003 0.000 0.245 314 I C 2.519 178.516 176.117 -0.200 0.000 1.100 314 I CA 1.760 62.934 61.300 -0.209 0.000 1.374 314 I CB -0.465 37.230 38.000 -0.509 0.000 1.057 314 I HN 0.419 nan 8.210 nan 0.000 0.413 315 E N 0.347 120.489 120.200 -0.097 0.000 2.152 315 E HA -0.246 4.106 4.350 0.003 0.000 0.192 315 E C 1.950 178.566 176.600 0.025 0.000 0.983 315 E CA 0.904 57.270 56.400 -0.057 0.000 0.818 315 E CB -0.047 29.699 29.700 0.077 0.000 0.758 315 E HN 0.384 nan 8.360 nan 0.000 0.467 316 E N 1.573 121.772 120.200 -0.002 0.000 2.051 316 E HA -0.184 4.168 4.350 0.003 0.000 0.192 316 E C 1.761 178.443 176.600 0.137 0.000 0.991 316 E CA 1.396 57.828 56.400 0.054 0.000 0.799 316 E CB -0.022 29.631 29.700 -0.078 0.000 0.748 316 E HN 0.098 nan 8.360 nan 0.000 0.449 317 N N 0.088 118.853 118.700 0.108 0.000 2.120 317 N HA -0.121 4.621 4.740 0.003 0.000 0.188 317 N C 1.913 177.415 175.510 -0.013 0.000 1.024 317 N CA 1.077 54.196 53.050 0.116 0.000 0.852 317 N CB -0.284 38.337 38.487 0.223 0.000 1.003 317 N HN 0.245 nan 8.380 nan 0.000 0.424 318 L N 0.308 121.426 121.223 -0.175 0.000 2.083 318 L HA -0.158 4.184 4.340 0.003 0.000 0.209 318 L C 2.273 179.104 176.870 -0.066 0.000 1.083 318 L CA 1.050 55.770 54.840 -0.200 0.000 0.752 318 L CB -0.523 41.356 42.059 -0.300 0.000 0.899 318 L HN 0.297 nan 8.230 nan 0.000 0.433 319 H N -0.865 118.212 119.070 0.011 0.000 2.357 319 H HA -0.129 4.429 4.556 0.003 0.000 0.301 319 H C 2.440 177.825 175.328 0.095 0.000 1.082 319 H CA 1.746 57.829 56.048 0.059 0.000 1.342 319 H CB -0.184 29.608 29.762 0.049 0.000 1.389 319 H HN 0.416 nan 8.280 nan 0.000 0.511 320 C N 0.508 119.934 119.300 0.211 0.000 2.435 320 C HA -0.039 4.423 4.460 0.003 0.000 0.279 320 C C 2.977 178.026 174.990 0.098 0.000 1.321 320 C CA 0.163 59.259 59.018 0.131 0.000 1.752 320 C CB -0.960 26.825 27.740 0.076 0.000 1.959 320 C HN 0.442 nan 8.230 nan 0.000 0.500 321 I N 0.705 121.344 120.570 0.114 0.000 2.252 321 I HA -0.173 3.999 4.170 0.003 0.000 0.245 321 I C 2.274 178.484 176.117 0.155 0.000 1.102 321 I CA 1.700 63.086 61.300 0.142 0.000 1.385 321 I CB -0.368 37.729 38.000 0.162 0.000 1.064 321 I HN 0.301 nan 8.210 nan 0.000 0.414 322 I N 0.819 121.486 120.570 0.161 0.000 2.394 322 I HA -0.286 3.886 4.170 0.003 0.000 0.251 322 I C 2.576 178.812 176.117 0.198 0.000 1.136 322 I CA 1.243 62.652 61.300 0.183 0.000 1.425 322 I CB -0.337 37.795 38.000 0.221 0.000 1.079 322 I HN 0.207 nan 8.210 nan 0.000 0.425 323 K N 0.694 121.236 120.400 0.237 0.000 2.211 323 K HA -0.104 4.218 4.320 0.003 0.000 0.203 323 K C 2.042 178.772 176.600 0.217 0.000 1.050 323 K CA 1.312 57.761 56.287 0.269 0.000 0.945 323 K CB 0.121 32.752 32.500 0.217 0.000 0.732 323 K HN 0.123 nan 8.250 nan 0.000 0.451 324 S N -0.451 115.251 115.700 0.003 0.000 2.458 324 S HA 0.022 4.493 4.470 0.003 0.000 0.223 324 S C 0.718 175.032 174.600 -0.478 0.000 1.019 324 S CA 0.291 58.330 58.200 -0.269 0.000 0.937 324 S CB 0.058 62.960 63.200 -0.496 0.000 0.788 324 S HN 0.414 nan 8.310 nan 0.000 0.511 325 H N -0.213 118.896 119.070 0.065 0.000 2.785 325 H HA 0.120 4.678 4.556 0.003 0.000 0.268 325 H C 1.352 176.606 175.328 -0.123 0.000 1.153 325 H CA -0.340 55.679 56.048 -0.049 0.000 1.111 325 H CB -0.349 29.401 29.762 -0.021 0.000 1.633 325 H HN 0.588 nan 8.280 nan 0.000 0.576 326 W N 2.400 123.615 121.300 -0.141 0.000 2.331 326 W HA -0.153 4.509 4.660 0.003 0.000 0.291 326 W C 0.812 177.220 176.519 -0.185 0.000 1.214 326 W CA 0.560 57.734 57.345 -0.285 0.000 1.228 326 W CB -0.609 28.422 29.460 -0.715 0.000 1.135 326 W HN 0.033 nan 8.180 nan 0.000 0.537 327 K N 0.771 120.500 120.400 -1.119 0.000 2.211 327 K HA -0.066 4.256 4.320 0.003 0.000 0.203 327 K C 0.230 176.583 176.600 -0.411 0.000 1.050 327 K CA 1.099 56.807 56.287 -0.965 0.000 0.945 327 K CB -0.153 31.715 32.500 -1.054 0.000 0.732 327 K HN 0.220 nan 8.250 nan 0.000 0.451 328 E N 1.263 121.305 120.200 -0.264 0.000 2.149 328 E HA 0.078 4.430 4.350 0.003 0.000 0.255 328 E C 0.457 177.005 176.600 -0.086 0.000 0.888 328 E CA -0.319 55.996 56.400 -0.142 0.000 0.742 328 E CB 1.296 30.930 29.700 -0.109 0.000 1.164 328 E HN 0.197 nan 8.360 nan 0.000 0.422 329 R N 2.547 123.005 120.500 -0.069 0.000 2.105 329 R HA -0.183 4.159 4.340 0.003 0.000 0.239 329 R C 1.666 177.950 176.300 -0.026 0.000 1.135 329 R CA 1.264 57.343 56.100 -0.036 0.000 0.967 329 R CB -0.118 30.168 30.300 -0.023 0.000 0.861 329 R HN 0.119 nan 8.270 nan 0.000 0.442 330 K N 0.809 121.188 120.400 -0.035 0.000 2.062 330 K HA -0.017 4.304 4.320 0.003 0.000 0.205 330 K C 1.938 178.508 176.600 -0.050 0.000 1.051 330 K CA 2.003 58.271 56.287 -0.031 0.000 0.941 330 K CB -0.183 32.299 32.500 -0.031 0.000 0.719 330 K HN 0.192 nan 8.250 nan 0.000 0.440 331 T N -0.132 114.375 114.554 -0.079 0.000 2.777 331 T HA -0.167 4.185 4.350 0.003 0.000 0.266 331 T C 1.943 176.545 174.700 -0.163 0.000 1.040 331 T CA 1.300 63.315 62.100 -0.143 0.000 1.141 331 T CB -0.625 68.128 68.868 -0.192 0.000 0.868 331 T HN 0.416 nan 8.240 nan 0.000 0.444 332 C N 1.702 120.956 119.300 -0.078 0.000 2.413 332 C HA -0.028 4.434 4.460 0.003 0.000 0.276 332 C C 3.133 178.128 174.990 0.009 0.000 1.236 332 C CA 0.924 59.944 59.018 0.004 0.000 1.735 332 C CB -1.435 26.338 27.740 0.055 0.000 2.031 332 C HN 0.611 nan 8.230 nan 0.000 0.474 333 A N 0.208 123.029 122.820 0.002 0.000 1.908 333 A HA 0.026 4.348 4.320 0.003 0.000 0.218 333 A C 2.453 180.045 177.584 0.014 0.000 1.181 333 A CA 2.441 54.486 52.037 0.014 0.000 0.627 333 A CB -1.173 17.836 19.000 0.015 0.000 0.818 333 A HN 0.871 nan 8.150 nan 0.000 0.445 334 A N -1.299 121.515 122.820 -0.010 0.000 1.933 334 A HA -0.171 4.151 4.320 0.003 0.000 0.218 334 A C 2.103 179.688 177.584 0.002 0.000 1.175 334 A CA 1.636 53.667 52.037 -0.011 0.000 0.628 334 A CB -0.409 18.568 19.000 -0.038 0.000 0.814 334 A HN 0.508 nan 8.150 nan 0.000 0.444 335 Q N -0.983 118.805 119.800 -0.020 0.000 2.172 335 Q HA -0.037 4.305 4.340 0.003 0.000 0.200 335 Q C 1.951 178.019 176.000 0.114 0.000 0.964 335 Q CA 0.707 56.530 55.803 0.033 0.000 0.855 335 Q CB -0.401 28.341 28.738 0.006 0.000 0.918 335 Q HN 0.507 nan 8.270 nan 0.000 0.444 336 L N -0.233 121.045 121.223 0.091 0.000 2.007 336 L HA -0.097 4.245 4.340 0.003 0.000 0.205 336 L C 2.366 179.312 176.870 0.125 0.000 1.073 336 L CA 1.184 56.081 54.840 0.096 0.000 0.744 336 L CB -1.178 40.911 42.059 0.051 0.000 0.898 336 L HN -0.037 nan 8.230 nan 0.000 0.435 337 V N -0.336 119.633 119.914 0.091 0.000 2.594 337 V HA -0.190 3.932 4.120 0.003 0.000 0.253 337 V C 2.152 178.312 176.094 0.109 0.000 1.069 337 V CA 1.578 63.933 62.300 0.093 0.000 1.082 337 V CB -0.802 31.057 31.823 0.060 0.000 0.680 337 V HN 0.655 nan 8.190 nan 0.000 0.469 338 S N -1.901 113.864 115.700 0.109 0.000 2.577 338 S HA 0.118 4.590 4.470 0.003 0.000 0.219 338 S C 0.482 175.157 174.600 0.125 0.000 0.962 338 S CA -0.494 57.760 58.200 0.091 0.000 0.921 338 S CB -0.564 62.669 63.200 0.055 0.000 0.789 338 S HN 0.506 nan 8.310 nan 0.000 0.497 339 Y N 5.013 125.345 120.300 0.054 0.000 2.969 339 Y HA 0.206 4.758 4.550 0.003 0.000 0.339 339 Y C -2.405 173.531 175.900 0.059 0.000 1.272 339 Y CA -1.807 56.334 58.100 0.068 0.000 1.577 339 Y CB 0.287 38.797 38.460 0.083 0.000 1.234 339 Y HN 0.203 nan 8.280 nan 0.000 0.590 340 P HA 0.271 nan 4.420 nan 0.000 0.291 340 P C -0.606 176.237 177.300 -0.762 0.000 1.378 340 P CA -0.263 62.540 63.100 -0.495 0.000 0.853 340 P CB 0.994 32.512 31.700 -0.303 0.000 1.002 341 G N 2.743 111.276 108.800 -0.445 0.000 2.343 341 G HA2 0.169 4.130 3.960 0.003 0.000 0.319 341 G HA3 0.169 4.130 3.960 0.003 0.000 0.319 341 G C 0.765 175.488 174.900 -0.296 0.000 1.126 341 G CA -0.563 44.338 45.100 -0.331 0.000 0.889 341 G HN 0.446 nan 8.290 nan 0.000 0.457 342 K N 1.521 121.649 120.400 -0.452 0.000 2.032 342 K HA -0.108 4.214 4.320 0.003 0.000 0.209 342 K C 0.150 176.682 176.600 -0.114 0.000 1.048 342 K CA 1.135 57.269 56.287 -0.255 0.000 0.927 342 K CB -0.063 32.282 32.500 -0.259 0.000 0.712 342 K HN 0.527 nan 8.250 nan 0.000 0.441 343 N N 0.594 119.271 118.700 -0.038 0.000 2.314 343 N HA 0.163 4.905 4.740 0.003 0.000 0.304 343 N C -1.456 174.100 175.510 0.076 0.000 1.073 343 N CA -0.553 52.512 53.050 0.026 0.000 0.822 343 N CB 1.820 40.337 38.487 0.049 0.000 1.280 343 N HN -0.038 nan 8.380 nan 0.000 0.489 344 K N 1.219 121.652 120.400 0.056 0.000 2.518 344 K HA 0.188 4.510 4.320 0.003 0.000 0.276 344 K C -0.073 176.593 176.600 0.111 0.000 0.974 344 K CA 0.480 56.813 56.287 0.077 0.000 0.986 344 K CB 0.190 32.721 32.500 0.053 0.000 0.901 344 K HN 0.621 nan 8.250 nan 0.000 0.497 345 I N -0.649 120.007 120.570 0.144 0.000 3.102 345 I HA 0.380 4.552 4.170 0.003 0.000 0.310 345 I C -2.609 173.633 176.117 0.209 0.000 1.246 345 I CA -2.655 58.755 61.300 0.184 0.000 0.979 345 I CB 2.523 40.647 38.000 0.206 0.000 1.267 345 I HN 0.389 nan 8.210 nan 0.000 0.451 346 P HA 0.087 nan 4.420 nan 0.000 0.237 346 P C 0.718 178.205 177.300 0.313 0.000 1.788 346 P CA -0.214 62.984 63.100 0.164 0.000 1.061 346 P CB 0.636 32.294 31.700 -0.071 0.000 1.967 347 L N 3.492 124.899 121.223 0.307 0.000 1.997 347 L HA -0.255 4.087 4.340 0.003 0.000 0.216 347 L C 1.905 178.909 176.870 0.224 0.000 1.074 347 L CA 2.120 57.139 54.840 0.298 0.000 0.763 347 L CB -1.223 40.972 42.059 0.227 0.000 0.890 347 L HN 0.094 nan 8.230 nan 0.000 0.434 348 N N -1.250 117.542 118.700 0.154 0.000 2.094 348 N HA -0.259 4.482 4.740 0.003 0.000 0.191 348 N C 1.823 177.317 175.510 -0.027 0.000 1.023 348 N CA 1.973 55.046 53.050 0.038 0.000 0.857 348 N CB -0.581 37.884 38.487 -0.037 0.000 1.013 348 N HN 0.503 nan 8.380 nan 0.000 0.426 349 Y N 0.496 120.736 120.300 -0.099 0.000 2.242 349 Y HA -0.084 4.468 4.550 0.003 0.000 0.291 349 Y C 2.489 178.352 175.900 -0.062 0.000 1.137 349 Y CA 1.101 59.047 58.100 -0.256 0.000 1.181 349 Y CB -0.343 37.761 38.460 -0.593 0.000 0.989 349 Y HN 0.310 nan 8.280 nan 0.000 0.527 350 H N -0.784 118.392 119.070 0.176 0.000 2.423 350 H HA -0.076 4.482 4.556 0.003 0.000 0.297 350 H C 2.334 177.693 175.328 0.052 0.000 1.075 350 H CA 1.605 57.726 56.048 0.122 0.000 1.342 350 H CB -0.169 29.625 29.762 0.053 0.000 1.395 350 H HN 0.364 nan 8.280 nan 0.000 0.530 351 I N 0.035 120.689 120.570 0.139 0.000 2.252 351 I HA -0.207 3.965 4.170 0.003 0.000 0.245 351 I C 2.430 178.534 176.117 -0.021 0.000 1.102 351 I CA 0.650 61.967 61.300 0.027 0.000 1.385 351 I CB -0.064 37.947 38.000 0.018 0.000 1.064 351 I HN -0.004 nan 8.210 nan 0.000 0.414 352 V N 0.625 120.553 119.914 0.023 0.000 2.358 352 V HA -0.273 3.849 4.120 0.003 0.000 0.246 352 V C 2.433 178.583 176.094 0.095 0.000 1.047 352 V CA 2.002 64.294 62.300 -0.012 0.000 1.035 352 V CB -0.579 31.325 31.823 0.135 0.000 0.658 352 V HN 0.452 nan 8.190 nan 0.000 0.452 353 E N 0.173 120.561 120.200 0.315 0.000 2.058 353 E HA -0.203 4.149 4.350 0.003 0.000 0.194 353 E C 2.139 178.836 176.600 0.161 0.000 0.997 353 E CA 1.761 58.373 56.400 0.355 0.000 0.801 353 E CB -0.081 29.887 29.700 0.447 0.000 0.746 353 E HN 0.382 nan 8.360 nan 0.000 0.450 354 V N 1.015 120.944 119.914 0.025 0.000 2.515 354 V HA -0.232 3.889 4.120 0.003 0.000 0.250 354 V C 2.251 178.181 176.094 -0.272 0.000 1.058 354 V CA 1.450 63.642 62.300 -0.180 0.000 1.064 354 V CB -0.345 31.276 31.823 -0.337 0.000 0.675 354 V HN 0.361 nan 8.190 nan 0.000 0.461 355 I N -1.287 119.101 120.570 -0.305 0.000 2.353 355 I HA -0.167 4.005 4.170 0.003 0.000 0.248 355 I C 2.199 177.857 176.117 -0.766 0.000 1.119 355 I CA 1.475 62.498 61.300 -0.461 0.000 1.417 355 I CB -0.273 37.449 38.000 -0.464 0.000 1.078 355 I HN 0.228 nan 8.210 nan 0.000 0.421 356 F N 0.968 120.528 119.950 -0.651 0.000 2.259 356 F HA -0.056 4.473 4.527 0.003 0.000 0.298 356 F C 2.565 177.612 175.800 -1.255 0.000 1.088 356 F CA 0.890 58.277 58.000 -1.022 0.000 1.358 356 F CB -0.906 37.689 39.000 -0.675 0.000 1.040 356 F HN -0.019 nan 8.300 nan 0.000 0.505 357 A N -0.290 122.021 122.820 -0.848 0.000 1.972 357 A HA -0.180 4.142 4.320 0.003 0.000 0.219 357 A C 2.185 179.494 177.584 -0.458 0.000 1.169 357 A CA 1.773 53.348 52.037 -0.770 0.000 0.635 357 A CB -0.525 18.446 19.000 -0.048 0.000 0.810 357 A HN 0.410 nan 8.150 nan 0.000 0.446 358 E N -1.040 118.880 120.200 -0.467 0.000 2.086 358 E HA -0.064 4.288 4.350 0.003 0.000 0.190 358 E C 1.970 178.143 176.600 -0.711 0.000 0.975 358 E CA 0.808 56.934 56.400 -0.457 0.000 0.813 358 E CB -0.221 29.261 29.700 -0.364 0.000 0.768 358 E HN 0.491 nan 8.360 nan 0.000 0.457 359 L N 0.524 121.087 121.223 -1.099 0.000 2.046 359 L HA -0.137 4.205 4.340 0.003 0.000 0.208 359 L C 1.521 178.059 176.870 -0.552 0.000 1.077 359 L CA 1.703 55.967 54.840 -0.960 0.000 0.747 359 L CB -0.278 41.103 42.059 -1.131 0.000 0.896 359 L HN -0.014 nan 8.230 nan 0.000 0.432 360 F N -0.218 119.479 119.950 -0.421 0.000 2.731 360 F HA 0.266 4.795 4.527 0.003 0.000 0.304 360 F C 1.152 176.775 175.800 -0.294 0.000 1.133 360 F CA -0.529 57.256 58.000 -0.358 0.000 1.380 360 F CB -1.288 37.426 39.000 -0.477 0.000 1.079 360 F HN 0.213 nan 8.300 nan 0.000 0.550 361 Q N 1.891 121.608 119.800 -0.139 0.000 2.297 361 Q HA 0.297 4.638 4.340 0.003 0.000 0.267 361 Q C -0.810 175.142 176.000 -0.080 0.000 1.006 361 Q CA -0.003 55.734 55.803 -0.109 0.000 0.896 361 Q CB 0.640 29.289 28.738 -0.147 0.000 1.186 361 Q HN 0.340 nan 8.270 nan 0.000 0.392 362 L N 7.010 128.193 121.223 -0.068 0.000 2.322 362 L HA 0.363 4.705 4.340 0.003 0.000 0.279 362 L C -1.370 175.453 176.870 -0.077 0.000 1.036 362 L CA -1.906 52.896 54.840 -0.063 0.000 0.807 362 L CB 1.415 43.439 42.059 -0.058 0.000 1.226 362 L HN 0.681 nan 8.230 nan 0.000 0.433 363 P HA -0.037 nan 4.420 nan 0.000 0.216 363 P C 0.091 177.373 177.300 -0.030 0.000 1.153 363 P CA 0.777 63.861 63.100 -0.028 0.000 0.844 363 P CB 0.540 32.254 31.700 0.023 0.000 0.787 364 A N -0.489 122.309 122.820 -0.037 0.000 2.469 364 A HA 0.720 5.042 4.320 0.003 0.000 0.299 364 A C -2.920 174.619 177.584 -0.075 0.000 1.098 364 A CA -1.997 50.014 52.037 -0.044 0.000 0.737 364 A CB 0.812 19.796 19.000 -0.026 0.000 1.312 364 A HN -0.108 nan 8.150 nan 0.000 0.414 365 P HA 0.336 nan 4.420 nan 0.000 0.277 365 P C -2.016 175.210 177.300 -0.123 0.000 1.240 365 P CA -1.152 61.900 63.100 -0.080 0.000 0.798 365 P CB 0.439 32.154 31.700 0.024 0.000 0.979 366 P HA -0.115 nan 4.420 nan 0.000 0.217 366 P C 0.046 176.948 177.300 -0.663 0.000 1.150 366 P CA 1.696 64.497 63.100 -0.498 0.000 0.832 366 P CB 0.031 31.315 31.700 -0.693 0.000 0.787 367 H N -2.349 116.684 119.070 -0.061 0.000 2.797 367 H HA 0.297 4.855 4.556 0.003 0.000 0.362 367 H C 0.151 175.413 175.328 -0.110 0.000 1.183 367 H CA -1.530 54.370 56.048 -0.247 0.000 1.197 367 H CB 0.655 30.182 29.762 -0.392 0.000 1.835 367 H HN -0.140 nan 8.280 nan 0.000 0.567 368 I N 1.872 122.446 120.570 0.006 0.000 2.741 368 I HA -0.201 3.971 4.170 0.003 0.000 0.288 368 I C 0.400 176.553 176.117 0.060 0.000 1.192 368 I CA 0.147 61.477 61.300 0.050 0.000 1.426 368 I CB 0.264 38.311 38.000 0.079 0.000 1.367 368 I HN 0.492 nan 8.210 nan 0.000 0.563 369 D N 5.143 125.639 120.400 0.160 0.000 2.157 369 D HA -0.239 4.403 4.640 0.003 0.000 0.191 369 D C 1.920 178.373 176.300 0.256 0.000 1.004 369 D CA 1.473 55.635 54.000 0.270 0.000 0.854 369 D CB -0.137 40.806 40.800 0.239 0.000 0.936 369 D HN 0.495 nan 8.370 nan 0.000 0.446 370 V N 0.521 120.553 119.914 0.196 0.000 2.867 370 V HA -0.184 3.938 4.120 0.003 0.000 0.260 370 V C 1.820 177.993 176.094 0.131 0.000 1.099 370 V CA 1.132 63.567 62.300 0.225 0.000 1.122 370 V CB -0.265 31.685 31.823 0.212 0.000 0.708 370 V HN 0.240 nan 8.190 nan 0.000 0.490 371 M N -0.636 118.955 119.600 -0.016 0.000 2.175 371 M HA -0.152 4.330 4.480 0.003 0.000 0.264 371 M C 2.026 178.215 176.300 -0.186 0.000 1.063 371 M CA 2.091 57.307 55.300 -0.139 0.000 1.119 371 M CB -0.684 31.758 32.600 -0.262 0.000 1.377 371 M HN 0.551 nan 8.290 nan 0.000 0.415 372 Y N 0.333 120.672 120.300 0.065 0.000 2.314 372 Y HA -0.086 4.466 4.550 0.003 0.000 0.293 372 Y C 2.519 178.429 175.900 0.018 0.000 1.129 372 Y CA 1.733 59.814 58.100 -0.032 0.000 1.201 372 Y CB -1.412 36.954 38.460 -0.157 0.000 0.999 372 Y HN 0.257 nan 8.280 nan 0.000 0.541 373 T N -0.792 113.938 114.554 0.293 0.000 2.643 373 T HA -0.203 4.148 4.350 0.003 0.000 0.264 373 T C 2.113 176.938 174.700 0.208 0.000 1.045 373 T CA 2.361 64.680 62.100 0.364 0.000 1.155 373 T CB -0.757 68.291 68.868 0.299 0.000 0.863 373 T HN 0.573 nan 8.240 nan 0.000 0.420 374 T N 1.064 115.684 114.554 0.110 0.000 2.951 374 T HA 0.022 4.374 4.350 0.003 0.000 0.268 374 T C 1.983 176.726 174.700 0.072 0.000 1.073 374 T CA 0.709 62.852 62.100 0.070 0.000 1.134 374 T CB -0.526 68.365 68.868 0.038 0.000 0.884 374 T HN 0.158 nan 8.240 nan 0.000 0.479 375 L N 0.987 122.244 121.223 0.058 0.000 2.017 375 L HA 0.166 4.507 4.340 0.003 0.000 0.208 375 L C 2.324 179.227 176.870 0.054 0.000 1.073 375 L CA 1.524 56.387 54.840 0.038 0.000 0.745 375 L CB -0.928 41.144 42.059 0.022 0.000 0.894 375 L HN 0.298 nan 8.230 nan 0.000 0.432 376 L N -0.952 120.312 121.223 0.069 0.000 2.083 376 L HA -0.241 4.101 4.340 0.003 0.000 0.209 376 L C 2.559 179.518 176.870 0.148 0.000 1.083 376 L CA 1.463 56.341 54.840 0.064 0.000 0.752 376 L CB -0.458 41.632 42.059 0.051 0.000 0.899 376 L HN 0.319 nan 8.230 nan 0.000 0.433 377 I N -0.543 120.156 120.570 0.215 0.000 2.142 377 I HA -0.268 3.903 4.170 0.003 0.000 0.240 377 I C 2.562 178.783 176.117 0.173 0.000 1.078 377 I CA 1.149 62.617 61.300 0.279 0.000 1.343 377 I CB -0.417 37.715 38.000 0.220 0.000 1.046 377 I HN 0.271 nan 8.210 nan 0.000 0.405 378 E N 0.811 121.074 120.200 0.104 0.000 2.171 378 E HA -0.209 4.143 4.350 0.003 0.000 0.197 378 E C 2.284 178.922 176.600 0.062 0.000 0.997 378 E CA 1.239 57.678 56.400 0.067 0.000 0.810 378 E CB -0.303 29.419 29.700 0.037 0.000 0.738 378 E HN 0.540 nan 8.360 nan 0.000 0.467 379 L N -0.376 120.884 121.223 0.063 0.000 2.156 379 L HA -0.127 4.214 4.340 0.003 0.000 0.208 379 L C 2.579 179.482 176.870 0.056 0.000 1.095 379 L CA 0.585 55.453 54.840 0.046 0.000 0.770 379 L CB -0.202 41.872 42.059 0.026 0.000 0.914 379 L HN 0.151 nan 8.230 nan 0.000 0.439 380 C N -0.104 119.247 119.300 0.085 0.000 2.450 380 C HA -0.103 4.359 4.460 0.003 0.000 0.279 380 C C 2.672 177.715 174.990 0.089 0.000 1.335 380 C CA 0.613 59.681 59.018 0.084 0.000 1.749 380 C CB -0.599 27.208 27.740 0.112 0.000 1.963 380 C HN 0.409 nan 8.230 nan 0.000 0.501 381 K N 0.077 120.537 120.400 0.100 0.000 2.296 381 K HA -0.030 4.292 4.320 0.003 0.000 0.200 381 K C 1.697 178.330 176.600 0.055 0.000 1.048 381 K CA 0.658 56.994 56.287 0.083 0.000 0.966 381 K CB -0.108 32.439 32.500 0.077 0.000 0.754 381 K HN 0.286 nan 8.250 nan 0.000 0.466 382 L N 0.542 121.793 121.223 0.048 0.000 2.249 382 L HA 0.005 4.347 4.340 0.003 0.000 0.207 382 L C 0.347 177.238 176.870 0.035 0.000 1.090 382 L CA 1.533 56.395 54.840 0.036 0.000 0.802 382 L CB 0.387 42.465 42.059 0.032 0.000 0.947 382 L HN 0.004 nan 8.230 nan 0.000 0.453 383 Q N -0.625 119.197 119.800 0.037 0.000 2.656 383 Q HA 0.271 4.612 4.340 0.003 0.000 0.389 383 Q C -1.849 174.170 176.000 0.031 0.000 0.883 383 Q CA -1.608 54.214 55.803 0.032 0.000 1.056 383 Q CB 0.734 29.490 28.738 0.030 0.000 1.391 383 Q HN 0.235 nan 8.270 nan 0.000 0.399 384 P HA -0.171 nan 4.420 nan 0.000 0.217 384 P C 1.270 178.586 177.300 0.027 0.000 1.151 384 P CA 1.547 64.668 63.100 0.035 0.000 0.849 384 P CB 0.251 31.974 31.700 0.038 0.000 0.787 385 G N -1.488 107.327 108.800 0.026 0.000 2.712 385 G HA2 -0.054 3.908 3.960 0.003 0.000 0.212 385 G HA3 -0.054 3.908 3.960 0.003 0.000 0.212 385 G C 1.217 176.130 174.900 0.023 0.000 1.142 385 G CA 0.936 46.051 45.100 0.024 0.000 0.789 385 G HN 0.453 nan 8.290 nan 0.000 0.535 386 S N -1.651 114.061 115.700 0.020 0.000 2.692 386 S HA 0.224 4.696 4.470 0.003 0.000 0.269 386 S C 1.729 176.322 174.600 -0.011 0.000 1.080 386 S CA -0.150 58.058 58.200 0.014 0.000 1.058 386 S CB -0.073 63.143 63.200 0.027 0.000 0.982 386 S HN 0.034 nan 8.310 nan 0.000 0.534 387 L N 2.821 124.038 121.223 -0.009 0.000 2.005 387 L HA 0.205 4.547 4.340 0.003 0.000 0.207 387 L C -1.073 175.782 176.870 -0.026 0.000 1.072 387 L CA 1.948 56.771 54.840 -0.029 0.000 0.744 387 L CB -1.951 40.106 42.059 -0.004 0.000 0.895 387 L HN 0.163 nan 8.230 nan 0.000 0.433 388 P HA -0.220 nan 4.420 nan 0.000 0.216 388 P C 1.421 178.739 177.300 0.030 0.000 1.154 388 P CA 1.626 64.729 63.100 0.006 0.000 0.865 388 P CB 0.092 31.784 31.700 -0.012 0.000 0.789 389 Q N -1.097 118.713 119.800 0.016 0.000 2.079 389 Q HA -0.094 4.248 4.340 0.003 0.000 0.200 389 Q C 2.130 178.139 176.000 0.015 0.000 0.974 389 Q CA 1.257 57.081 55.803 0.033 0.000 0.840 389 Q CB -1.248 27.507 28.738 0.027 0.000 0.898 389 Q HN 0.109 nan 8.270 nan 0.000 0.430 390 V N 0.528 120.387 119.914 -0.091 0.000 2.358 390 V HA -0.204 3.917 4.120 0.003 0.000 0.246 390 V C 2.004 178.080 176.094 -0.030 0.000 1.047 390 V CA 1.366 63.516 62.300 -0.250 0.000 1.035 390 V CB -0.537 30.926 31.823 -0.600 0.000 0.658 390 V HN 0.317 nan 8.190 nan 0.000 0.452 391 L N 1.009 122.251 121.223 0.033 0.000 2.131 391 L HA -0.032 4.310 4.340 0.003 0.000 0.210 391 L C 2.326 179.342 176.870 0.242 0.000 1.092 391 L CA 2.271 57.202 54.840 0.153 0.000 0.759 391 L CB -0.952 41.177 42.059 0.117 0.000 0.903 391 L HN 0.230 nan 8.230 nan 0.000 0.435 392 A N -1.517 121.431 122.820 0.213 0.000 2.016 392 A HA -0.163 4.158 4.320 0.003 0.000 0.217 392 A C 2.273 180.048 177.584 0.319 0.000 1.162 392 A CA 1.245 53.464 52.037 0.303 0.000 0.662 392 A CB -0.441 18.733 19.000 0.289 0.000 0.812 392 A HN 0.617 nan 8.150 nan 0.000 0.450 393 Q N -0.607 119.339 119.800 0.244 0.000 2.096 393 Q HA -0.038 4.303 4.340 0.003 0.000 0.197 393 Q C 2.238 178.423 176.000 0.308 0.000 0.964 393 Q CA 1.121 57.080 55.803 0.261 0.000 0.838 393 Q CB -0.229 28.640 28.738 0.218 0.000 0.906 393 Q HN 0.609 nan 8.270 nan 0.000 0.444 394 A N 0.020 123.036 122.820 0.326 0.000 1.930 394 A HA -0.153 4.169 4.320 0.003 0.000 0.217 394 A C 2.175 179.833 177.584 0.124 0.000 1.175 394 A CA 1.846 54.041 52.037 0.263 0.000 0.627 394 A CB -0.859 18.361 19.000 0.367 0.000 0.815 394 A HN 0.435 nan 8.150 nan 0.000 0.443 395 T N -0.206 114.487 114.554 0.231 0.000 2.652 395 T HA -0.171 4.181 4.350 0.003 0.000 0.267 395 T C 1.901 176.813 174.700 0.354 0.000 1.039 395 T CA 1.774 64.022 62.100 0.247 0.000 1.153 395 T CB -0.305 68.658 68.868 0.159 0.000 0.863 395 T HN 0.665 nan 8.240 nan 0.000 0.428 396 E N 1.397 121.876 120.200 0.465 0.000 2.070 396 E HA -0.155 4.197 4.350 0.003 0.000 0.197 396 E C 2.101 178.915 176.600 0.358 0.000 1.004 396 E CA 1.589 58.330 56.400 0.567 0.000 0.805 396 E CB -0.468 29.518 29.700 0.477 0.000 0.744 396 E HN 0.532 nan 8.360 nan 0.000 0.451 397 M N -0.337 119.388 119.600 0.208 0.000 2.117 397 M HA -0.119 4.363 4.480 0.003 0.000 0.262 397 M C 2.339 178.616 176.300 -0.038 0.000 1.065 397 M CA 1.243 56.581 55.300 0.064 0.000 1.114 397 M CB -0.316 32.297 32.600 0.021 0.000 1.361 397 M HN 0.150 nan 8.290 nan 0.000 0.408 398 L N -1.216 119.965 121.223 -0.070 0.000 2.017 398 L HA -0.231 4.111 4.340 0.003 0.000 0.208 398 L C 2.664 179.488 176.870 -0.076 0.000 1.073 398 L CA 1.499 56.222 54.840 -0.195 0.000 0.745 398 L CB -0.863 40.793 42.059 -0.671 0.000 0.894 398 L HN 0.249 nan 8.230 nan 0.000 0.432 399 Y N 0.207 120.449 120.300 -0.097 0.000 2.165 399 Y HA -0.284 4.268 4.550 0.003 0.000 0.286 399 Y C 2.567 178.308 175.900 -0.266 0.000 1.155 399 Y CA 1.577 59.465 58.100 -0.353 0.000 1.164 399 Y CB -0.026 37.978 38.460 -0.760 0.000 0.978 399 Y HN 0.064 nan 8.280 nan 0.000 0.513 400 M N 0.174 119.701 119.600 -0.121 0.000 2.460 400 M HA -0.080 4.401 4.480 0.003 0.000 0.263 400 M C 1.282 177.451 176.300 -0.219 0.000 1.071 400 M CA 1.459 56.670 55.300 -0.148 0.000 1.096 400 M CB -0.746 31.872 32.600 0.029 0.000 1.408 400 M HN 0.320 nan 8.290 nan 0.000 0.463 401 R N -0.961 119.406 120.500 -0.222 0.000 2.432 401 R HA 0.137 4.478 4.340 0.003 0.000 0.260 401 R C 1.500 177.758 176.300 -0.070 0.000 0.935 401 R CA -0.372 55.590 56.100 -0.231 0.000 1.080 401 R CB 0.169 30.195 30.300 -0.457 0.000 1.155 401 R HN 0.085 nan 8.270 nan 0.000 0.531 402 L N 1.715 122.834 121.223 -0.174 0.000 2.081 402 L HA -0.218 4.124 4.340 0.003 0.000 0.212 402 L C 1.215 178.028 176.870 -0.095 0.000 1.080 402 L CA 1.833 56.569 54.840 -0.174 0.000 0.754 402 L CB -0.585 41.226 42.059 -0.414 0.000 0.893 402 L HN 0.147 nan 8.230 nan 0.000 0.433 403 D N -0.986 119.350 120.400 -0.107 0.000 2.239 403 D HA -0.162 4.480 4.640 0.003 0.000 0.202 403 D C 1.700 177.998 176.300 -0.004 0.000 0.993 403 D CA 1.797 55.764 54.000 -0.055 0.000 0.874 403 D CB -0.058 40.705 40.800 -0.061 0.000 0.922 403 D HN 0.518 nan 8.370 nan 0.000 0.464 404 T N -3.319 111.265 114.554 0.050 0.000 3.145 404 T HA 0.251 4.603 4.350 0.003 0.000 0.281 404 T C 0.578 175.353 174.700 0.125 0.000 1.003 404 T CA -0.504 61.647 62.100 0.086 0.000 0.901 404 T CB 0.069 68.992 68.868 0.091 0.000 1.112 404 T HN -0.052 nan 8.240 nan 0.000 0.535 405 M N 2.878 122.520 119.600 0.071 0.000 2.238 405 M HA 0.267 4.749 4.480 0.003 0.000 0.347 405 M C 0.228 176.393 176.300 -0.224 0.000 1.173 405 M CA -0.374 54.778 55.300 -0.247 0.000 1.147 405 M CB 0.672 33.056 32.600 -0.360 0.000 1.547 405 M HN 0.168 nan 8.290 nan 0.000 0.455 406 N N 2.589 121.109 118.700 -0.300 0.000 2.513 406 N HA -0.002 4.740 4.740 0.003 0.000 0.268 406 N C 0.258 175.657 175.510 -0.185 0.000 1.180 406 N CA 0.255 53.181 53.050 -0.205 0.000 0.948 406 N CB 1.095 39.463 38.487 -0.198 0.000 1.083 406 N HN 0.768 nan 8.380 nan 0.000 0.455 407 T N 2.618 117.081 114.554 -0.151 0.000 2.649 407 T HA -0.177 4.175 4.350 0.003 0.000 0.268 407 T C 1.572 176.205 174.700 -0.112 0.000 1.036 407 T CA 2.180 64.200 62.100 -0.134 0.000 1.157 407 T CB -0.356 68.398 68.868 -0.191 0.000 0.861 407 T HN 0.638 nan 8.240 nan 0.000 0.445 408 T N 0.903 115.378 114.554 -0.132 0.000 2.803 408 T HA -0.129 4.223 4.350 0.003 0.000 0.269 408 T C 2.259 176.936 174.700 -0.037 0.000 1.052 408 T CA 1.276 63.318 62.100 -0.096 0.000 1.136 408 T CB -0.601 68.202 68.868 -0.108 0.000 0.864 408 T HN 0.513 nan 8.240 nan 0.000 0.467 409 C N 0.504 119.748 119.300 -0.094 0.000 2.486 409 C HA 0.100 4.562 4.460 0.003 0.000 0.279 409 C C 2.790 177.778 174.990 -0.004 0.000 1.302 409 C CA -0.277 58.683 59.018 -0.096 0.000 1.720 409 C CB -1.074 26.403 27.740 -0.438 0.000 2.030 409 C HN 0.339 nan 8.230 nan 0.000 0.490 410 V N 1.895 121.791 119.914 -0.029 0.000 2.252 410 V HA -0.270 3.852 4.120 0.003 0.000 0.249 410 V C 2.115 178.387 176.094 0.296 0.000 1.056 410 V CA 2.494 64.882 62.300 0.147 0.000 1.022 410 V CB -0.804 31.069 31.823 0.085 0.000 0.641 410 V HN 0.447 nan 8.190 nan 0.000 0.445 411 D N -0.402 120.117 120.400 0.199 0.000 2.116 411 D HA -0.207 4.435 4.640 0.003 0.000 0.193 411 D C 2.390 178.883 176.300 0.321 0.000 0.998 411 D CA 1.448 55.583 54.000 0.226 0.000 0.836 411 D CB -0.306 40.580 40.800 0.143 0.000 0.951 411 D HN 0.297 nan 8.370 nan 0.000 0.449 412 R N -0.837 119.869 120.500 0.343 0.000 2.096 412 R HA -0.080 4.261 4.340 0.003 0.000 0.235 412 R C 2.074 178.794 176.300 0.700 0.000 1.127 412 R CA 0.591 56.956 56.100 0.442 0.000 0.968 412 R CB -0.341 30.202 30.300 0.405 0.000 0.861 412 R HN 0.139 nan 8.270 nan 0.000 0.440 413 F N 0.972 121.274 119.950 0.587 0.000 2.113 413 F HA -0.073 4.455 4.527 0.003 0.000 0.297 413 F C 1.697 177.971 175.800 0.790 0.000 1.103 413 F CA 1.161 59.603 58.000 0.736 0.000 1.248 413 F CB -0.625 38.619 39.000 0.406 0.000 0.999 413 F HN -0.087 nan 8.300 nan 0.000 0.475 414 I N 0.631 121.596 120.570 0.659 0.000 2.099 414 I HA -0.408 3.763 4.170 0.003 0.000 0.239 414 I C 2.117 178.446 176.117 0.354 0.000 1.066 414 I CA 2.119 63.630 61.300 0.351 0.000 1.324 414 I CB -0.812 37.321 38.000 0.221 0.000 1.037 414 I HN 0.172 nan 8.210 nan 0.000 0.401 415 N N -0.405 118.522 118.700 0.379 0.000 2.104 415 N HA -0.264 4.477 4.740 0.003 0.000 0.190 415 N C 1.648 177.405 175.510 0.412 0.000 1.024 415 N CA 1.457 54.708 53.050 0.335 0.000 0.853 415 N CB -0.279 38.394 38.487 0.310 0.000 1.008 415 N HN 0.430 nan 8.380 nan 0.000 0.424 416 W N 1.544 123.105 121.300 0.436 0.000 2.353 416 W HA -0.125 4.537 4.660 0.003 0.000 0.319 416 W C 1.957 178.790 176.519 0.523 0.000 1.207 416 W CA 0.821 58.440 57.345 0.457 0.000 1.291 416 W CB -0.875 28.875 29.460 0.483 0.000 1.159 416 W HN -0.023 nan 8.180 nan 0.000 0.478 417 F N 2.174 122.049 119.950 -0.124 0.000 2.134 417 F HA -0.182 4.347 4.527 0.003 0.000 0.299 417 F C 2.826 178.483 175.800 -0.239 0.000 1.097 417 F CA 2.454 60.135 58.000 -0.532 0.000 1.264 417 F CB -1.081 37.911 39.000 -0.013 0.000 1.001 417 F HN 0.035 nan 8.300 nan 0.000 0.479 418 S N -1.538 114.094 115.700 -0.114 0.000 2.383 418 S HA -0.262 4.210 4.470 0.003 0.000 0.227 418 S C 2.203 176.786 174.600 -0.028 0.000 1.026 418 S CA 1.435 59.572 58.200 -0.105 0.000 0.981 418 S CB -1.324 61.903 63.200 0.046 0.000 0.818 418 S HN 0.709 nan 8.310 nan 0.000 0.472 419 H N 0.023 119.042 119.070 -0.085 0.000 2.389 419 H HA -0.133 4.425 4.556 0.003 0.000 0.299 419 H C 2.375 177.619 175.328 -0.140 0.000 1.081 419 H CA 1.500 57.512 56.048 -0.060 0.000 1.345 419 H CB -0.153 29.634 29.762 0.043 0.000 1.393 419 H HN 0.647 nan 8.280 nan 0.000 0.520 420 H N 0.605 119.468 119.070 -0.345 0.000 2.321 420 H HA -0.098 4.460 4.556 0.003 0.000 0.300 420 H C 2.378 177.565 175.328 -0.235 0.000 1.087 420 H CA 1.736 57.573 56.048 -0.352 0.000 1.319 420 H CB -0.387 28.991 29.762 -0.640 0.000 1.379 420 H HN 0.290 nan 8.280 nan 0.000 0.501 421 L N 0.155 121.054 121.223 -0.540 0.000 2.043 421 L HA -0.214 4.127 4.340 0.003 0.000 0.212 421 L C 2.663 179.079 176.870 -0.757 0.000 1.075 421 L CA 1.692 56.194 54.840 -0.563 0.000 0.752 421 L CB -0.715 41.067 42.059 -0.462 0.000 0.891 421 L HN 0.475 nan 8.230 nan 0.000 0.432 422 S N -1.109 114.108 115.700 -0.805 0.000 2.537 422 S HA -0.125 4.346 4.470 0.003 0.000 0.240 422 S C 1.473 175.657 174.600 -0.692 0.000 0.981 422 S CA 0.947 58.498 58.200 -1.082 0.000 0.948 422 S CB -0.406 62.558 63.200 -0.393 0.000 0.759 422 S HN 0.470 nan 8.310 nan 0.000 0.531 423 N N -0.205 118.115 118.700 -0.634 0.000 2.254 423 N HA 0.213 4.955 4.740 0.003 0.000 0.190 423 N C -0.818 174.029 175.510 -1.105 0.000 1.107 423 N CA 0.330 52.920 53.050 -0.767 0.000 0.869 423 N CB 0.296 38.297 38.487 -0.810 0.000 0.983 423 N HN 0.452 nan 8.380 nan 0.000 0.487 424 F N 0.851 120.549 119.950 -0.419 0.000 2.688 424 F HA 0.246 4.775 4.527 0.003 0.000 0.376 424 F C 0.084 175.729 175.800 -0.259 0.000 1.428 424 F CA -0.541 57.280 58.000 -0.298 0.000 1.156 424 F CB 0.382 39.191 39.000 -0.319 0.000 1.141 424 F HN -0.264 nan 8.300 nan 0.000 0.521 425 Q N -1.030 118.633 119.800 -0.228 0.000 2.437 425 Q HA -0.273 4.069 4.340 0.003 0.000 0.274 425 Q C 0.046 176.074 176.000 0.047 0.000 1.165 425 Q CA 0.921 56.664 55.803 -0.100 0.000 0.925 425 Q CB -2.665 26.087 28.738 0.024 0.000 1.327 425 Q HN 0.556 nan 8.270 nan 0.000 0.505 426 F N -2.300 117.647 119.950 -0.005 0.000 3.090 426 F HA -0.310 4.219 4.527 0.003 0.000 0.282 426 F C 0.385 176.259 175.800 0.124 0.000 0.923 426 F CA 0.823 58.840 58.000 0.028 0.000 0.977 426 F CB -0.862 38.142 39.000 0.007 0.000 0.954 426 F HN 0.112 nan 8.300 nan 0.000 0.695 427 R N 1.110 121.725 120.500 0.192 0.000 2.202 427 R HA 0.410 4.752 4.340 0.003 0.000 0.334 427 R C -0.260 176.167 176.300 0.213 0.000 1.036 427 R CA -0.218 55.995 56.100 0.188 0.000 0.878 427 R CB 1.121 31.491 30.300 0.117 0.000 1.067 427 R HN 0.578 nan 8.270 nan 0.000 0.457 428 W N 1.733 122.946 121.300 -0.145 0.000 3.213 428 W HA 0.143 4.805 4.660 0.003 0.000 0.318 428 W C -0.746 175.417 176.519 -0.593 0.000 1.248 428 W CA -0.766 56.291 57.345 -0.481 0.000 1.187 428 W CB 2.135 31.065 29.460 -0.884 0.000 1.403 428 W HN 0.512 nan 8.180 nan 0.000 0.556 429 S N 2.153 116.871 115.700 -1.637 0.000 3.869 429 S HA 0.060 4.532 4.470 0.003 0.000 0.241 429 S C 0.339 174.050 174.600 -1.480 0.000 1.363 429 S CA -0.601 56.850 58.200 -1.248 0.000 0.894 429 S CB -0.488 62.075 63.200 -1.061 0.000 1.519 429 S HN 0.514 nan 8.310 nan 0.000 0.470 430 W N 2.148 122.920 121.300 -0.880 0.000 2.350 430 W HA -0.128 4.534 4.660 0.003 0.000 0.289 430 W C 2.298 178.511 176.519 -0.510 0.000 1.215 430 W CA 0.896 57.761 57.345 -0.799 0.000 1.236 430 W CB -0.163 28.761 29.460 -0.893 0.000 1.130 430 W HN 0.634 nan 8.180 nan 0.000 0.541 431 E N 0.115 120.244 120.200 -0.118 0.000 2.265 431 E HA -0.192 4.160 4.350 0.003 0.000 0.196 431 E C 1.042 177.689 176.600 0.077 0.000 0.996 431 E CA 1.400 57.878 56.400 0.130 0.000 0.832 431 E CB -0.896 28.848 29.700 0.072 0.000 0.756 431 E HN 0.267 nan 8.360 nan 0.000 0.491 432 D N 0.191 120.475 120.400 -0.192 0.000 2.221 432 D HA -0.156 4.486 4.640 0.003 0.000 0.204 432 D C 0.441 176.871 176.300 0.217 0.000 0.982 432 D CA 0.834 54.760 54.000 -0.123 0.000 0.857 432 D CB -0.204 40.342 40.800 -0.423 0.000 0.934 432 D HN 0.382 nan 8.370 nan 0.000 0.475 433 W N 0.851 122.211 121.300 0.099 0.000 3.151 433 W HA 0.319 4.981 4.660 0.003 0.000 0.424 433 W C 1.385 178.143 176.519 0.399 0.000 1.012 433 W CA -0.893 56.543 57.345 0.152 0.000 2.018 433 W CB -0.919 28.481 29.460 -0.100 0.000 1.087 433 W HN -0.157 nan 8.180 nan 0.000 0.740 434 S N 0.931 116.938 115.700 0.510 0.000 2.400 434 S HA -0.224 4.248 4.470 0.003 0.000 0.232 434 S C 1.740 176.452 174.600 0.186 0.000 1.025 434 S CA 2.007 60.384 58.200 0.295 0.000 0.993 434 S CB -0.197 63.133 63.200 0.217 0.000 0.808 434 S HN 0.436 nan 8.310 nan 0.000 0.478 435 D N 1.841 122.394 120.400 0.255 0.000 2.190 435 D HA -0.179 4.463 4.640 0.003 0.000 0.200 435 D C 2.238 178.646 176.300 0.180 0.000 0.992 435 D CA 1.491 55.611 54.000 0.200 0.000 0.854 435 D CB -1.264 39.672 40.800 0.227 0.000 0.936 435 D HN 0.641 nan 8.370 nan 0.000 0.462 436 C N 0.269 119.725 119.300 0.259 0.000 2.435 436 C HA 0.097 4.559 4.460 0.003 0.000 0.279 436 C C 2.932 177.974 174.990 0.086 0.000 1.321 436 C CA -0.160 58.990 59.018 0.220 0.000 1.752 436 C CB -1.674 26.291 27.740 0.375 0.000 1.959 436 C HN 0.292 nan 8.230 nan 0.000 0.500 437 L N 2.458 123.668 121.223 -0.022 0.000 2.129 437 L HA -0.104 4.237 4.340 0.003 0.000 0.212 437 L C 2.445 179.298 176.870 -0.029 0.000 1.087 437 L CA 2.122 56.896 54.840 -0.110 0.000 0.757 437 L CB -0.672 41.255 42.059 -0.219 0.000 0.896 437 L HN 0.701 nan 8.230 nan 0.000 0.434 438 S N -2.208 113.499 115.700 0.012 0.000 2.562 438 S HA 0.269 4.741 4.470 0.003 0.000 0.246 438 S C 0.287 174.910 174.600 0.039 0.000 1.056 438 S CA -0.706 57.508 58.200 0.023 0.000 1.042 438 S CB 0.291 63.507 63.200 0.025 0.000 0.822 438 S HN 0.323 nan 8.310 nan 0.000 0.465 439 Q N 1.062 120.891 119.800 0.049 0.000 2.297 439 Q HA 0.330 4.671 4.340 0.003 0.000 0.269 439 Q C -0.948 175.087 176.000 0.058 0.000 1.051 439 Q CA -0.982 54.855 55.803 0.056 0.000 0.869 439 Q CB 0.892 29.671 28.738 0.068 0.000 1.346 439 Q HN 0.358 nan 8.270 nan 0.000 0.457 440 D N 1.151 121.587 120.400 0.061 0.000 2.525 440 D HA -0.034 4.608 4.640 0.003 0.000 0.235 440 D C -1.758 174.590 176.300 0.079 0.000 1.137 440 D CA -1.039 53.002 54.000 0.067 0.000 0.868 440 D CB 1.082 41.925 40.800 0.072 0.000 1.180 440 D HN 0.181 nan 8.370 nan 0.000 0.465 441 P HA -0.123 nan 4.420 nan 0.000 0.220 441 P C 0.565 177.931 177.300 0.110 0.000 1.144 441 P CA 1.149 64.305 63.100 0.094 0.000 0.800 441 P CB 0.210 31.963 31.700 0.090 0.000 0.772 442 E N -1.038 119.228 120.200 0.110 0.000 2.358 442 E HA 0.020 4.372 4.350 0.003 0.000 0.195 442 E C 0.497 177.162 176.600 0.109 0.000 1.010 442 E CA 0.133 56.606 56.400 0.122 0.000 0.856 442 E CB -0.185 29.596 29.700 0.136 0.000 0.795 442 E HN 0.202 nan 8.360 nan 0.000 0.504 443 S N 2.034 117.791 115.700 0.094 0.000 2.563 443 S HA -0.025 4.446 4.470 0.003 0.000 0.284 443 S C -1.682 172.963 174.600 0.075 0.000 1.331 443 S CA -0.956 57.289 58.200 0.074 0.000 1.047 443 S CB 0.640 63.877 63.200 0.061 0.000 0.859 443 S HN -0.016 nan 8.310 nan 0.000 0.514 444 P HA -0.148 nan 4.420 nan 0.000 0.216 444 P C 1.117 178.444 177.300 0.045 0.000 1.153 444 P CA 1.349 64.468 63.100 0.031 0.000 0.858 444 P CB 0.172 31.854 31.700 -0.030 0.000 0.789 445 K N -0.698 119.691 120.400 -0.018 0.000 1.985 445 K HA -0.090 4.232 4.320 0.003 0.000 0.210 445 K C -0.432 176.337 176.600 0.281 0.000 1.047 445 K CA 2.108 58.399 56.287 0.007 0.000 0.932 445 K CB -1.964 30.474 32.500 -0.103 0.000 0.716 445 K HN 0.280 nan 8.250 nan 0.000 0.439 446 P HA -0.206 nan 4.420 nan 0.000 0.216 446 P C 1.122 178.567 177.300 0.243 0.000 1.153 446 P CA 1.451 64.701 63.100 0.250 0.000 0.848 446 P CB 0.052 31.850 31.700 0.164 0.000 0.787 447 K N -0.686 119.837 120.400 0.206 0.000 2.057 447 K HA -0.179 4.143 4.320 0.003 0.000 0.207 447 K C 2.152 178.889 176.600 0.229 0.000 1.049 447 K CA 1.194 57.596 56.287 0.192 0.000 0.931 447 K CB -0.674 31.925 32.500 0.164 0.000 0.714 447 K HN -0.075 nan 8.250 nan 0.000 0.440 448 F N 1.179 121.195 119.950 0.110 0.000 2.126 448 F HA -0.216 4.313 4.527 0.003 0.000 0.299 448 F C 1.703 177.620 175.800 0.195 0.000 1.096 448 F CA 1.382 59.439 58.000 0.095 0.000 1.255 448 F CB -0.365 38.637 39.000 0.003 0.000 0.997 448 F HN -0.181 nan 8.300 nan 0.000 0.479 449 V N 0.659 120.726 119.914 0.255 0.000 2.307 449 V HA -0.271 3.851 4.120 0.003 0.000 0.245 449 V C 2.594 178.773 176.094 0.142 0.000 1.045 449 V CA 2.232 64.701 62.300 0.282 0.000 1.024 449 V CB -0.769 31.413 31.823 0.599 0.000 0.651 449 V HN 0.270 nan 8.190 nan 0.000 0.449 450 R N -0.184 120.406 120.500 0.149 0.000 2.083 450 R HA -0.167 4.175 4.340 0.003 0.000 0.237 450 R C 2.428 178.761 176.300 0.055 0.000 1.137 450 R CA 1.733 57.893 56.100 0.099 0.000 0.951 450 R CB -0.183 30.188 30.300 0.119 0.000 0.851 450 R HN 0.549 nan 8.270 nan 0.000 0.434 451 E N -0.198 120.030 120.200 0.047 0.000 2.072 451 E HA -0.153 4.199 4.350 0.003 0.000 0.191 451 E C 2.107 178.697 176.600 -0.016 0.000 0.985 451 E CA 1.282 57.707 56.400 0.041 0.000 0.801 451 E CB -0.190 29.554 29.700 0.074 0.000 0.750 451 E HN 0.192 nan 8.360 nan 0.000 0.452 452 V N 2.045 121.880 119.914 -0.132 0.000 2.287 452 V HA -0.261 3.861 4.120 0.003 0.000 0.248 452 V C 2.582 178.672 176.094 -0.008 0.000 1.053 452 V CA 1.516 63.755 62.300 -0.101 0.000 1.027 452 V CB -0.599 31.130 31.823 -0.157 0.000 0.646 452 V HN 0.211 nan 8.190 nan 0.000 0.447 453 L N -0.410 120.799 121.223 -0.023 0.000 2.083 453 L HA -0.223 4.118 4.340 0.003 0.000 0.209 453 L C 2.602 179.421 176.870 -0.084 0.000 1.083 453 L CA 1.873 56.654 54.840 -0.097 0.000 0.752 453 L CB -0.570 41.397 42.059 -0.154 0.000 0.899 453 L HN 0.431 nan 8.230 nan 0.000 0.433 454 E N 0.234 120.417 120.200 -0.028 0.000 2.077 454 E HA -0.267 4.084 4.350 0.003 0.000 0.193 454 E C 2.117 178.724 176.600 0.012 0.000 0.989 454 E CA 1.268 57.667 56.400 -0.002 0.000 0.800 454 E CB 0.203 29.930 29.700 0.046 0.000 0.746 454 E HN 0.147 nan 8.360 nan 0.000 0.452 455 K N 0.052 120.471 120.400 0.032 0.000 2.097 455 K HA -0.089 4.233 4.320 0.003 0.000 0.206 455 K C 1.980 178.612 176.600 0.052 0.000 1.049 455 K CA 1.037 57.359 56.287 0.058 0.000 0.933 455 K CB -0.502 32.045 32.500 0.078 0.000 0.717 455 K HN 0.208 nan 8.250 nan 0.000 0.442 456 C N 0.216 119.530 119.300 0.024 0.000 2.425 456 C HA -0.039 4.423 4.460 0.003 0.000 0.277 456 C C 2.585 177.501 174.990 -0.124 0.000 1.280 456 C CA 0.718 59.750 59.018 0.024 0.000 1.744 456 C CB -0.634 27.049 27.740 -0.095 0.000 1.989 456 C HN 0.578 nan 8.230 nan 0.000 0.491 457 M N 0.624 120.135 119.600 -0.148 0.000 2.117 457 M HA -0.176 4.306 4.480 0.003 0.000 0.262 457 M C 2.363 178.638 176.300 -0.042 0.000 1.065 457 M CA 1.729 56.939 55.300 -0.150 0.000 1.114 457 M CB -0.347 32.185 32.600 -0.113 0.000 1.361 457 M HN 0.318 nan 8.290 nan 0.000 0.408 458 R N 0.036 120.543 120.500 0.013 0.000 2.189 458 R HA -0.011 4.331 4.340 0.003 0.000 0.223 458 R C 1.772 178.111 176.300 0.064 0.000 1.092 458 R CA 0.866 57.001 56.100 0.058 0.000 0.989 458 R CB -0.239 30.114 30.300 0.088 0.000 0.876 458 R HN 0.429 nan 8.270 nan 0.000 0.457 459 L N 0.017 121.288 121.223 0.080 0.000 2.592 459 L HA 0.067 4.408 4.340 0.003 0.000 0.227 459 L C 1.137 178.101 176.870 0.158 0.000 1.127 459 L CA 0.117 55.030 54.840 0.123 0.000 0.884 459 L CB 0.147 42.316 42.059 0.183 0.000 1.065 459 L HN 0.235 nan 8.230 nan 0.000 0.457 460 S N -1.544 114.217 115.700 0.101 0.000 4.055 460 S HA 0.322 4.794 4.470 0.003 0.000 0.180 460 S C -0.872 173.864 174.600 0.226 0.000 1.191 460 S CA -0.339 57.949 58.200 0.148 0.000 1.195 460 S CB 0.782 63.956 63.200 -0.043 0.000 1.932 460 S HN 0.067 nan 8.310 nan 0.000 0.781 461 Y N -1.321 118.912 120.300 -0.111 0.000 2.662 461 Y HA 0.579 5.131 4.550 0.004 0.000 0.334 461 Y C 0.950 176.789 175.900 -0.101 0.000 1.185 461 Y CA -0.758 57.289 58.100 -0.089 0.000 1.074 461 Y CB -0.325 38.096 38.460 -0.066 0.000 1.330 461 Y HN 0.642 nan 8.280 nan 0.000 0.458 462 H N 0.993 120.043 119.070 -0.033 0.000 2.306 462 H HA -0.277 4.281 4.556 0.003 0.000 0.289 462 H C 1.671 176.894 175.328 -0.175 0.000 1.081 462 H CA 3.500 59.483 56.048 -0.108 0.000 1.163 462 H CB 0.029 29.761 29.762 -0.049 0.000 1.357 462 H HN 0.887 nan 8.280 nan 0.000 0.524 463 Q N 0.951 120.799 119.800 0.079 0.000 2.133 463 Q HA -0.166 4.175 4.340 0.003 0.000 0.208 463 Q C 2.589 178.402 176.000 -0.312 0.000 0.991 463 Q CA 1.736 57.522 55.803 -0.029 0.000 0.867 463 Q CB -0.468 28.383 28.738 0.188 0.000 0.911 463 Q HN 0.325 nan 8.270 nan 0.000 0.417 464 R N -0.382 119.697 120.500 -0.701 0.000 2.091 464 R HA -0.132 4.210 4.340 0.003 0.000 0.238 464 R C 1.873 177.817 176.300 -0.592 0.000 1.136 464 R CA 1.538 57.169 56.100 -0.782 0.000 0.959 464 R CB -0.319 29.175 30.300 -1.343 0.000 0.856 464 R HN 0.358 nan 8.270 nan 0.000 0.437 465 I N 0.967 121.163 120.570 -0.624 0.000 2.353 465 I HA -0.208 3.963 4.170 0.003 0.000 0.248 465 I C 2.383 178.232 176.117 -0.447 0.000 1.119 465 I CA 0.837 61.800 61.300 -0.561 0.000 1.417 465 I CB -1.059 36.620 38.000 -0.535 0.000 1.078 465 I HN 0.184 nan 8.210 nan 0.000 0.421 466 L N 0.398 121.368 121.223 -0.420 0.000 2.131 466 L HA -0.222 4.120 4.340 0.003 0.000 0.210 466 L C 1.941 178.671 176.870 -0.233 0.000 1.092 466 L CA 1.206 55.861 54.840 -0.309 0.000 0.759 466 L CB -0.458 41.444 42.059 -0.262 0.000 0.903 466 L HN 0.235 nan 8.230 nan 0.000 0.435 467 D N -0.093 120.167 120.400 -0.233 0.000 2.277 467 D HA -0.078 4.564 4.640 0.003 0.000 0.208 467 D C 2.069 178.276 176.300 -0.156 0.000 0.962 467 D CA 1.074 54.977 54.000 -0.163 0.000 0.865 467 D CB 0.193 40.912 40.800 -0.136 0.000 0.939 467 D HN 0.536 nan 8.370 nan 0.000 0.510 468 I N -1.351 119.088 120.570 -0.218 0.000 2.852 468 I HA 0.003 4.175 4.170 0.003 0.000 0.264 468 I C 0.949 176.931 176.117 -0.225 0.000 1.179 468 I CA -0.058 61.150 61.300 -0.155 0.000 1.480 468 I CB -0.101 37.829 38.000 -0.116 0.000 1.111 468 I HN -0.252 nan 8.210 nan 0.000 0.441 469 V N -1.006 118.658 119.914 -0.417 0.000 2.863 469 V HA 0.609 4.731 4.120 0.003 0.000 0.307 469 V C -2.476 173.480 176.094 -0.229 0.000 1.061 469 V CA -2.074 59.887 62.300 -0.564 0.000 1.024 469 V CB 0.114 31.476 31.823 -0.768 0.000 1.049 469 V HN -0.033 nan 8.190 nan 0.000 0.471 470 P HA 0.316 nan 4.420 nan 0.000 0.272 470 P C -2.232 175.124 177.300 0.093 0.000 1.230 470 P CA -1.342 61.781 63.100 0.038 0.000 0.788 470 P CB -0.065 31.718 31.700 0.139 0.000 0.949 471 P HA -0.222 nan 4.420 nan 0.000 0.217 471 P C 1.339 178.691 177.300 0.086 0.000 1.151 471 P CA 1.981 65.115 63.100 0.056 0.000 0.849 471 P CB -0.584 31.140 31.700 0.040 0.000 0.787 472 T N -4.374 110.258 114.554 0.131 0.000 2.881 472 T HA -0.140 4.212 4.350 0.003 0.000 0.270 472 T C 1.405 176.132 174.700 0.044 0.000 1.068 472 T CA 1.082 63.235 62.100 0.089 0.000 1.131 472 T CB -1.181 67.743 68.868 0.093 0.000 0.871 472 T HN -0.013 nan 8.240 nan 0.000 0.479 473 F N 1.103 121.053 119.950 -0.000 0.000 2.698 473 F HA 0.337 4.866 4.527 0.003 0.000 0.295 473 F C 2.760 178.529 175.800 -0.052 0.000 1.124 473 F CA -0.092 57.900 58.000 -0.013 0.000 1.426 473 F CB -0.508 38.456 39.000 -0.059 0.000 1.120 473 F HN 0.139 nan 8.300 nan 0.000 0.583 474 S N 0.634 116.394 115.700 0.100 0.000 2.399 474 S HA -0.374 4.098 4.470 0.003 0.000 0.235 474 S C 2.429 177.040 174.600 0.018 0.000 1.063 474 S CA 1.632 59.845 58.200 0.022 0.000 1.070 474 S CB -0.510 62.696 63.200 0.011 0.000 0.904 474 S HN 0.388 nan 8.310 nan 0.000 0.456 475 A N 0.582 123.416 122.820 0.022 0.000 2.032 475 A HA -0.002 4.319 4.320 0.003 0.000 0.221 475 A C 2.033 179.637 177.584 0.033 0.000 1.165 475 A CA 1.494 53.543 52.037 0.020 0.000 0.645 475 A CB -0.541 18.464 19.000 0.007 0.000 0.807 475 A HN 0.624 nan 8.150 nan 0.000 0.453 476 L N -0.840 120.413 121.223 0.049 0.000 2.567 476 L HA 0.042 4.383 4.340 0.003 0.000 0.225 476 L C 0.596 177.486 176.870 0.034 0.000 1.119 476 L CA -0.645 54.237 54.840 0.071 0.000 0.871 476 L CB -0.484 41.660 42.059 0.142 0.000 1.036 476 L HN 0.295 nan 8.230 nan 0.000 0.459 477 C N 1.422 120.715 119.300 -0.012 0.000 2.727 477 C HA 0.159 4.621 4.460 0.003 0.000 0.401 477 C C -1.421 173.546 174.990 -0.038 0.000 1.294 477 C CA -0.854 58.115 59.018 -0.082 0.000 2.134 477 C CB -0.030 27.625 27.740 -0.142 0.000 2.724 477 C HN 0.179 nan 8.230 nan 0.000 0.677 478 P HA 0.333 nan 4.420 nan 0.000 0.278 478 P C -0.774 176.582 177.300 0.092 0.000 1.238 478 P CA 0.007 63.114 63.100 0.011 0.000 0.794 478 P CB 0.707 32.401 31.700 -0.009 0.000 0.955 479 A N 2.865 125.742 122.820 0.095 0.000 2.466 479 A HA 0.064 4.386 4.320 0.003 0.000 0.238 479 A C 0.627 178.274 177.584 0.104 0.000 1.074 479 A CA -0.156 51.943 52.037 0.103 0.000 0.774 479 A CB -0.682 18.347 19.000 0.047 0.000 1.015 479 A HN 0.646 nan 8.150 nan 0.000 0.498 480 N N 1.548 120.208 118.700 -0.066 0.000 2.447 480 N HA 0.167 4.908 4.740 0.003 0.000 0.263 480 N C -2.070 173.349 175.510 -0.151 0.000 1.226 480 N CA -1.134 51.694 53.050 -0.371 0.000 0.906 480 N CB 0.602 38.748 38.487 -0.568 0.000 1.060 480 N HN 0.350 nan 8.380 nan 0.000 0.468 481 P HA 0.025 nan 4.420 nan 0.000 0.232 481 P C -0.790 176.520 177.300 0.017 0.000 1.738 481 P CA -0.167 62.855 63.100 -0.129 0.000 0.948 481 P CB -0.939 30.448 31.700 -0.522 0.000 1.943 482 T N -1.594 112.968 114.554 0.014 0.000 2.882 482 T HA 0.205 4.556 4.350 0.003 0.000 0.287 482 T C 0.440 175.090 174.700 -0.083 0.000 0.992 482 T CA -0.787 61.315 62.100 0.003 0.000 1.076 482 T CB 0.738 69.565 68.868 -0.068 0.000 0.961 482 T HN 0.237 nan 8.240 nan 0.000 0.490 483 C N 3.355 122.476 119.300 -0.299 0.000 2.703 483 C HA 0.454 4.916 4.460 0.003 0.000 0.411 483 C C 0.331 175.075 174.990 -0.410 0.000 1.290 483 C CA -0.586 57.944 59.018 -0.813 0.000 2.054 483 C CB -1.470 25.760 27.740 -0.851 0.000 2.732 483 C HN 0.862 nan 8.230 nan 0.000 0.650 484 I N 5.940 126.255 120.570 -0.424 0.000 2.537 484 I HA 0.208 4.380 4.170 0.003 0.000 0.276 484 I C -0.469 175.571 176.117 -0.128 0.000 1.063 484 I CA -0.177 60.996 61.300 -0.212 0.000 1.144 484 I CB 0.212 38.093 38.000 -0.198 0.000 1.252 484 I HN 0.720 nan 8.210 nan 0.000 0.480 485 Y N 5.793 125.973 120.300 -0.200 0.000 2.359 485 Y HA 0.085 4.637 4.550 0.003 0.000 0.330 485 Y C 1.198 176.931 175.900 -0.277 0.000 1.143 485 Y CA -0.082 57.881 58.100 -0.229 0.000 1.318 485 Y CB 1.469 39.754 38.460 -0.290 0.000 1.234 485 Y HN 0.563 nan 8.280 nan 0.000 0.522 486 K N 3.551 123.833 120.400 -0.197 0.000 1.992 486 K HA -0.133 4.188 4.320 0.003 0.000 0.210 486 K C 0.630 176.726 176.600 -0.838 0.000 1.036 486 K CA 1.113 57.048 56.287 -0.586 0.000 0.946 486 K CB -0.337 31.651 32.500 -0.853 0.000 0.742 486 K HN 0.780 nan 8.250 nan 0.000 0.442 487 Y N 1.280 121.141 120.300 -0.732 0.000 2.488 487 Y HA 0.134 4.686 4.550 0.003 0.000 0.319 487 Y C 1.261 176.463 175.900 -1.163 0.000 1.212 487 Y CA -0.402 57.221 58.100 -0.795 0.000 1.273 487 Y CB -0.571 37.456 38.460 -0.721 0.000 1.074 487 Y HN 0.211 nan 8.280 nan 0.000 0.503 488 G N -0.112 107.852 108.800 -1.393 0.000 2.529 488 G HA2 -0.104 3.858 3.960 0.003 0.000 0.234 488 G HA3 -0.104 3.858 3.960 0.003 0.000 0.234 488 G C 0.162 174.876 174.900 -0.310 0.000 1.527 488 G CA -0.327 44.246 45.100 -0.878 0.000 1.062 488 G HN 0.180 nan 8.290 nan 0.000 0.558 489 D N 0.194 120.513 120.400 -0.135 0.000 2.911 489 D HA 0.015 4.657 4.640 0.003 0.000 0.233 489 D C 1.388 177.648 176.300 -0.067 0.000 1.134 489 D CA 0.308 54.273 54.000 -0.058 0.000 1.011 489 D CB 0.447 41.239 40.800 -0.013 0.000 1.174 489 D HN 0.547 nan 8.370 nan 0.000 0.440 490 E N -0.051 120.094 120.200 -0.092 0.000 2.008 490 E HA -0.137 4.215 4.350 0.003 0.000 0.191 490 E C 0.855 177.433 176.600 -0.036 0.000 0.986 490 E CA 1.038 57.393 56.400 -0.074 0.000 0.807 490 E CB 0.294 29.954 29.700 -0.067 0.000 0.766 490 E HN 0.053 nan 8.360 nan 0.000 0.450 491 S N -1.457 114.238 115.700 -0.008 0.000 2.929 491 S HA -0.166 4.306 4.470 0.003 0.000 0.271 491 S C -0.049 174.512 174.600 -0.064 0.000 1.295 491 S CA 0.817 59.000 58.200 -0.028 0.000 1.277 491 S CB -1.297 61.886 63.200 -0.028 0.000 1.557 491 S HN 0.259 nan 8.310 nan 0.000 0.666 492 S N 2.567 118.235 115.700 -0.054 0.000 2.835 492 S HA 0.296 4.768 4.470 0.003 0.000 0.286 492 S C 0.785 175.325 174.600 -0.101 0.000 1.194 492 S CA -0.481 57.679 58.200 -0.066 0.000 1.031 492 S CB 0.309 63.482 63.200 -0.044 0.000 1.216 492 S HN 0.628 nan 8.310 nan 0.000 0.502 493 N N 0.691 119.243 118.700 -0.247 0.000 2.322 493 N HA -0.052 4.689 4.740 0.003 0.000 0.194 493 N C 0.990 176.328 175.510 -0.287 0.000 1.126 493 N CA -0.091 52.619 53.050 -0.565 0.000 0.845 493 N CB -0.176 37.841 38.487 -0.783 0.000 0.976 493 N HN 0.440 nan 8.380 nan 0.000 0.475 494 S N -0.282 115.344 115.700 -0.125 0.000 2.603 494 S HA 0.096 4.568 4.470 0.003 0.000 0.229 494 S C 0.592 175.191 174.600 -0.002 0.000 0.972 494 S CA -0.347 57.816 58.200 -0.061 0.000 0.935 494 S CB -0.579 62.597 63.200 -0.040 0.000 0.769 494 S HN 0.267 nan 8.310 nan 0.000 0.536 495 L N 1.784 123.037 121.223 0.051 0.000 2.349 495 L HA 0.411 4.753 4.340 0.003 0.000 0.275 495 L C -2.435 174.529 176.870 0.157 0.000 1.115 495 L CA -2.301 52.634 54.840 0.157 0.000 0.820 495 L CB -0.189 42.056 42.059 0.309 0.000 1.135 495 L HN -0.077 nan 8.230 nan 0.000 0.445 496 P HA 0.047 nan 4.420 nan 0.000 0.267 496 P C 0.817 178.107 177.300 -0.017 0.000 1.200 496 P CA 0.422 63.555 63.100 0.055 0.000 0.772 496 P CB 0.713 32.448 31.700 0.058 0.000 0.855 497 G N 0.942 109.692 108.800 -0.084 0.000 2.186 497 G HA2 -0.399 3.563 3.960 0.003 0.000 0.266 497 G HA3 -0.399 3.563 3.960 0.003 0.000 0.266 497 G C 1.082 175.740 174.900 -0.404 0.000 0.982 497 G CA 1.179 46.154 45.100 -0.208 0.000 0.670 497 G HN 0.728 nan 8.290 nan 0.000 0.533 498 H N 0.934 119.769 119.070 -0.391 0.000 2.252 498 H HA -0.115 4.443 4.556 0.003 0.000 0.292 498 H C 2.880 178.037 175.328 -0.283 0.000 1.082 498 H CA 2.981 58.796 56.048 -0.389 0.000 1.229 498 H CB -0.305 29.386 29.762 -0.117 0.000 1.353 498 H HN 0.373 nan 8.280 nan 0.000 0.488 499 S N -0.736 114.961 115.700 -0.005 0.000 2.370 499 S HA -0.180 4.292 4.470 0.003 0.000 0.226 499 S C 2.403 176.925 174.600 -0.130 0.000 1.033 499 S CA 1.198 59.380 58.200 -0.030 0.000 1.011 499 S CB -0.398 62.807 63.200 0.009 0.000 0.852 499 S HN 0.309 nan 8.310 nan 0.000 0.457 500 V N 2.169 121.990 119.914 -0.154 0.000 2.324 500 V HA -0.292 3.830 4.120 0.003 0.000 0.250 500 V C 2.626 178.611 176.094 -0.182 0.000 1.060 500 V CA 1.858 64.067 62.300 -0.153 0.000 1.042 500 V CB -1.380 30.353 31.823 -0.149 0.000 0.650 500 V HN 0.561 nan 8.190 nan 0.000 0.450 501 A N 0.077 122.730 122.820 -0.280 0.000 1.902 501 A HA -0.142 4.179 4.320 0.003 0.000 0.217 501 A C 2.200 179.711 177.584 -0.122 0.000 1.181 501 A CA 1.904 53.812 52.037 -0.215 0.000 0.623 501 A CB -0.568 18.189 19.000 -0.404 0.000 0.818 501 A HN 0.544 nan 8.150 nan 0.000 0.443 502 L N -0.915 120.201 121.223 -0.177 0.000 2.131 502 L HA -0.247 4.095 4.340 0.003 0.000 0.210 502 L C 2.656 179.481 176.870 -0.076 0.000 1.092 502 L CA 1.162 55.941 54.840 -0.103 0.000 0.759 502 L CB -0.957 41.043 42.059 -0.098 0.000 0.903 502 L HN 0.469 nan 8.230 nan 0.000 0.435 503 C N -0.122 119.117 119.300 -0.102 0.000 2.466 503 C HA -0.079 4.383 4.460 0.003 0.000 0.278 503 C C 2.796 177.684 174.990 -0.170 0.000 1.288 503 C CA 0.246 59.198 59.018 -0.111 0.000 1.722 503 C CB -0.649 27.025 27.740 -0.110 0.000 2.017 503 C HN 0.426 nan 8.230 nan 0.000 0.488 504 L N 1.266 122.359 121.223 -0.216 0.000 1.989 504 L HA -0.212 4.130 4.340 0.003 0.000 0.211 504 L C 2.937 179.592 176.870 -0.359 0.000 1.071 504 L CA 1.844 56.431 54.840 -0.422 0.000 0.749 504 L CB -0.981 40.909 42.059 -0.282 0.000 0.890 504 L HN 0.344 nan 8.230 nan 0.000 0.431 505 A N -0.166 122.626 122.820 -0.045 0.000 1.892 505 A HA -0.202 4.120 4.320 0.003 0.000 0.218 505 A C 2.330 179.940 177.584 0.043 0.000 1.188 505 A CA 2.276 54.375 52.037 0.102 0.000 0.631 505 A CB -1.010 18.058 19.000 0.113 0.000 0.822 505 A HN 0.232 nan 8.150 nan 0.000 0.447 506 V N -0.279 119.618 119.914 -0.028 0.000 2.295 506 V HA -0.254 3.868 4.120 0.003 0.000 0.246 506 V C 3.051 179.118 176.094 -0.046 0.000 1.049 506 V CA 2.064 64.349 62.300 -0.025 0.000 1.024 506 V CB -1.425 30.374 31.823 -0.039 0.000 0.648 506 V HN 0.654 nan 8.190 nan 0.000 0.447 507 A N -0.341 122.391 122.820 -0.147 0.000 1.858 507 A HA -0.192 4.130 4.320 0.003 0.000 0.216 507 A C 2.130 179.674 177.584 -0.066 0.000 1.190 507 A CA 1.963 53.901 52.037 -0.166 0.000 0.617 507 A CB -0.873 17.930 19.000 -0.328 0.000 0.827 507 A HN 0.475 nan 8.150 nan 0.000 0.443 508 F N 0.232 120.161 119.950 -0.034 0.000 2.065 508 F HA -0.256 4.272 4.527 0.002 0.000 0.298 508 F C 2.337 178.155 175.800 0.031 0.000 1.112 508 F CA 1.722 59.709 58.000 -0.022 0.000 1.212 508 F CB -0.205 38.722 39.000 -0.122 0.000 0.975 508 F HN 0.134 nan 8.300 nan 0.000 0.476 509 K N -0.274 120.247 120.400 0.202 0.000 2.442 509 K HA -0.071 4.250 4.320 0.003 0.000 0.198 509 K C 1.360 178.014 176.600 0.090 0.000 1.044 509 K CA 1.089 57.445 56.287 0.115 0.000 0.948 509 K CB -0.209 32.339 32.500 0.080 0.000 0.762 509 K HN 0.116 nan 8.250 nan 0.000 0.472 510 S N 0.377 116.133 115.700 0.093 0.000 2.557 510 S HA 0.109 4.581 4.470 0.003 0.000 0.223 510 S C -0.270 174.384 174.600 0.091 0.000 0.969 510 S CA -0.244 57.998 58.200 0.070 0.000 0.927 510 S CB 0.365 63.589 63.200 0.040 0.000 0.806 510 S HN 0.143 nan 8.310 nan 0.000 0.489 511 K N 0.899 121.386 120.400 0.144 0.000 3.161 511 K HA -0.123 4.199 4.320 0.003 0.000 0.270 511 K C 0.169 176.872 176.600 0.171 0.000 1.115 511 K CA 0.658 57.040 56.287 0.158 0.000 0.789 511 K CB -2.385 30.170 32.500 0.092 0.000 1.256 511 K HN 0.525 nan 8.250 nan 0.000 0.492 512 A N 0.687 123.646 122.820 0.231 0.000 2.386 512 A HA 0.423 4.745 4.320 0.003 0.000 0.246 512 A C 1.058 178.810 177.584 0.280 0.000 1.089 512 A CA 0.715 52.871 52.037 0.198 0.000 0.790 512 A CB 0.265 19.329 19.000 0.107 0.000 1.042 512 A HN 0.525 nan 8.150 nan 0.000 0.497 513 T N -1.483 113.188 114.554 0.196 0.000 2.948 513 T HA 0.371 4.723 4.350 0.003 0.000 0.285 513 T C 0.808 175.635 174.700 0.213 0.000 1.019 513 T CA -0.268 61.926 62.100 0.157 0.000 1.013 513 T CB 0.872 69.794 68.868 0.091 0.000 1.117 513 T HN 0.518 nan 8.240 nan 0.000 0.533 514 N N 0.900 119.687 118.700 0.145 0.000 2.025 514 N HA -0.120 4.621 4.740 0.003 0.000 0.194 514 N C 1.496 177.046 175.510 0.068 0.000 1.044 514 N CA 1.880 54.977 53.050 0.079 0.000 0.851 514 N CB -0.347 38.191 38.487 0.085 0.000 1.036 514 N HN 0.663 nan 8.380 nan 0.000 0.422 515 D N 0.599 121.160 120.400 0.268 0.000 2.149 515 D HA -0.165 4.476 4.640 0.003 0.000 0.198 515 D C 1.535 177.959 176.300 0.207 0.000 0.990 515 D CA 1.006 55.218 54.000 0.355 0.000 0.839 515 D CB -0.196 40.730 40.800 0.209 0.000 0.948 515 D HN 0.493 nan 8.370 nan 0.000 0.460 516 E N 0.307 120.576 120.200 0.115 0.000 2.051 516 E HA -0.131 4.220 4.350 0.003 0.000 0.192 516 E C 2.312 178.912 176.600 0.000 0.000 0.991 516 E CA 0.415 56.847 56.400 0.053 0.000 0.799 516 E CB 0.089 29.812 29.700 0.039 0.000 0.748 516 E HN 0.196 nan 8.360 nan 0.000 0.449 517 I N 0.534 121.075 120.570 -0.047 0.000 2.286 517 I HA -0.235 3.937 4.170 0.003 0.000 0.248 517 I C 2.117 178.141 176.117 -0.155 0.000 1.115 517 I CA 1.314 62.503 61.300 -0.185 0.000 1.392 517 I CB -0.890 36.971 38.000 -0.232 0.000 1.065 517 I HN 0.073 nan 8.210 nan 0.000 0.418 518 F N 1.065 120.975 119.950 -0.067 0.000 2.134 518 F HA -0.205 4.323 4.527 0.003 0.000 0.299 518 F C 3.017 178.768 175.800 -0.081 0.000 1.097 518 F CA 1.648 59.595 58.000 -0.089 0.000 1.264 518 F CB -1.126 37.841 39.000 -0.055 0.000 1.001 518 F HN 0.017 nan 8.300 nan 0.000 0.479 519 S N 0.385 116.169 115.700 0.141 0.000 2.351 519 S HA -0.168 4.304 4.470 0.003 0.000 0.220 519 S C 2.225 176.827 174.600 0.002 0.000 1.035 519 S CA 1.509 59.740 58.200 0.052 0.000 1.031 519 S CB -0.441 62.779 63.200 0.033 0.000 0.928 519 S HN 0.200 nan 8.310 nan 0.000 0.433 520 I N 1.613 122.161 120.570 -0.036 0.000 2.248 520 I HA -0.193 3.978 4.170 0.003 0.000 0.248 520 I C 2.236 178.313 176.117 -0.066 0.000 1.107 520 I CA 1.402 62.657 61.300 -0.074 0.000 1.373 520 I CB -1.381 36.536 38.000 -0.138 0.000 1.055 520 I HN 0.366 nan 8.210 nan 0.000 0.418 521 L N 0.206 121.398 121.223 -0.052 0.000 2.313 521 L HA -0.097 4.244 4.340 0.003 0.000 0.214 521 L C 2.413 179.271 176.870 -0.021 0.000 1.119 521 L CA 0.707 55.521 54.840 -0.043 0.000 0.809 521 L CB -0.422 41.608 42.059 -0.049 0.000 0.933 521 L HN 0.184 nan 8.230 nan 0.000 0.449 522 K N -0.132 120.266 120.400 -0.004 0.000 2.280 522 K HA -0.125 4.196 4.320 0.003 0.000 0.202 522 K C 0.304 176.888 176.600 -0.027 0.000 1.047 522 K CA 0.753 57.032 56.287 -0.013 0.000 0.942 522 K CB -0.043 32.452 32.500 -0.009 0.000 0.739 522 K HN 0.282 nan 8.250 nan 0.000 0.457 523 D N 1.283 121.663 120.400 -0.034 0.000 2.881 523 D HA 0.047 4.688 4.640 0.003 0.000 0.240 523 D C -0.896 175.376 176.300 -0.046 0.000 1.249 523 D CA 0.278 54.254 54.000 -0.039 0.000 0.839 523 D CB 0.396 41.171 40.800 -0.042 0.000 1.042 523 D HN -0.161 nan 8.370 nan 0.000 0.475 524 V N 2.998 122.885 119.914 -0.046 0.000 2.407 524 V HA 0.271 4.393 4.120 0.003 0.000 0.291 524 V C -2.044 174.019 176.094 -0.051 0.000 1.018 524 V CA -1.463 60.806 62.300 -0.051 0.000 0.842 524 V CB 2.330 34.121 31.823 -0.053 0.000 0.996 524 V HN 0.056 nan 8.190 nan 0.000 0.426 525 P HA 0.250 nan 4.420 nan 0.000 0.285 525 P C -0.522 176.742 177.300 -0.061 0.000 1.259 525 P CA -0.298 62.773 63.100 -0.049 0.000 0.794 525 P CB 1.280 32.956 31.700 -0.039 0.000 0.940 540 N N 8.775 127.225 118.700 -0.417 0.000 2.558 540 N HA 0.375 5.117 4.740 0.003 0.000 0.242 540 N C -1.978 173.188 175.510 -0.573 0.000 0.979 540 N CA -2.087 50.668 53.050 -0.491 0.000 0.931 540 N CB 2.155 40.524 38.487 -0.196 0.000 1.122 540 N HN 0.323 nan 8.380 nan 0.000 0.508 541 P HA -0.190 nan 4.420 nan 0.000 0.214 541 P C 1.636 178.865 177.300 -0.119 0.000 1.163 541 P CA 0.637 63.371 63.100 -0.609 0.000 0.889 541 P CB 0.533 31.825 31.700 -0.679 0.000 0.790 542 L N 0.067 121.230 121.223 -0.099 0.000 2.127 542 L HA -0.145 4.197 4.340 0.003 0.000 0.211 542 L C 2.436 179.339 176.870 0.054 0.000 1.089 542 L CA 1.951 56.806 54.840 0.025 0.000 0.757 542 L CB -1.147 40.902 42.059 -0.017 0.000 0.899 542 L HN -0.159 nan 8.230 nan 0.000 0.434 543 K N -0.634 119.770 120.400 0.007 0.000 2.025 543 K HA -0.130 4.191 4.320 0.003 0.000 0.207 543 K C 2.073 178.743 176.600 0.118 0.000 1.049 543 K CA 1.793 58.096 56.287 0.026 0.000 0.933 543 K CB -0.277 32.211 32.500 -0.020 0.000 0.714 543 K HN 0.342 nan 8.250 nan 0.000 0.438 544 I N 1.222 121.898 120.570 0.177 0.000 2.099 544 I HA -0.338 3.834 4.170 0.003 0.000 0.239 544 I C 2.677 178.974 176.117 0.300 0.000 1.066 544 I CA 1.543 63.020 61.300 0.295 0.000 1.324 544 I CB -0.385 37.892 38.000 0.462 0.000 1.037 544 I HN 0.300 nan 8.210 nan 0.000 0.401 545 E N 0.946 121.333 120.200 0.312 0.000 2.086 545 E HA -0.257 4.095 4.350 0.003 0.000 0.200 545 E C 2.170 178.954 176.600 0.308 0.000 1.012 545 E CA 2.678 59.239 56.400 0.270 0.000 0.812 545 E CB -0.031 29.866 29.700 0.329 0.000 0.743 545 E HN 0.467 nan 8.360 nan 0.000 0.453 546 V N -0.986 119.097 119.914 0.281 0.000 2.515 546 V HA -0.138 3.984 4.120 0.003 0.000 0.250 546 V C 2.150 178.384 176.094 0.233 0.000 1.058 546 V CA 1.633 64.073 62.300 0.234 0.000 1.064 546 V CB -0.924 30.874 31.823 -0.041 0.000 0.675 546 V HN 0.304 nan 8.190 nan 0.000 0.461 547 F N 1.581 121.555 119.950 0.040 0.000 2.074 547 F HA -0.016 4.513 4.527 0.002 0.000 0.293 547 F C 2.217 178.008 175.800 -0.015 0.000 1.116 547 F CA 2.062 60.051 58.000 -0.018 0.000 1.212 547 F CB -0.675 38.251 39.000 -0.124 0.000 0.998 547 F HN -0.003 nan 8.300 nan 0.000 0.471 548 V N 0.959 120.794 119.914 -0.132 0.000 2.233 548 V HA -0.337 3.784 4.120 0.003 0.000 0.247 548 V C 2.572 178.587 176.094 -0.131 0.000 1.050 548 V CA 2.249 64.429 62.300 -0.201 0.000 1.010 548 V CB -0.974 30.870 31.823 0.036 0.000 0.637 548 V HN 0.389 nan 8.190 nan 0.000 0.444 549 Q N -0.206 119.604 119.800 0.015 0.000 2.173 549 Q HA -0.229 4.113 4.340 0.003 0.000 0.208 549 Q C 2.316 178.236 176.000 -0.134 0.000 0.989 549 Q CA 2.549 58.375 55.803 0.039 0.000 0.872 549 Q CB -0.640 28.252 28.738 0.257 0.000 0.909 549 Q HN 0.728 nan 8.270 nan 0.000 0.420 550 T N 1.064 115.582 114.554 -0.059 0.000 2.852 550 T HA -0.062 4.289 4.350 0.003 0.000 0.256 550 T C 1.832 176.360 174.700 -0.287 0.000 1.038 550 T CA 0.546 62.553 62.100 -0.154 0.000 1.141 550 T CB -0.230 68.739 68.868 0.169 0.000 0.869 550 T HN 0.097 nan 8.240 nan 0.000 0.439 551 L N 1.286 122.232 121.223 -0.462 0.000 2.046 551 L HA 0.068 4.410 4.340 0.003 0.000 0.208 551 L C 2.091 178.683 176.870 -0.463 0.000 1.077 551 L CA 1.592 55.935 54.840 -0.828 0.000 0.747 551 L CB -0.783 40.632 42.059 -1.074 0.000 0.896 551 L HN 0.240 nan 8.230 nan 0.000 0.432 552 L N -1.351 119.705 121.223 -0.278 0.000 2.056 552 L HA -0.225 4.117 4.340 0.003 0.000 0.207 552 L C 2.681 179.479 176.870 -0.120 0.000 1.078 552 L CA 1.428 56.216 54.840 -0.087 0.000 0.749 552 L CB -0.999 41.075 42.059 0.025 0.000 0.901 552 L HN 0.485 nan 8.230 nan 0.000 0.433 553 H N 1.135 119.970 119.070 -0.392 0.000 2.387 553 H HA -0.129 4.429 4.556 0.003 0.000 0.299 553 H C 1.827 176.977 175.328 -0.296 0.000 1.099 553 H CA 1.301 57.069 56.048 -0.466 0.000 1.315 553 H CB 0.149 29.333 29.762 -0.963 0.000 1.380 553 H HN 0.296 nan 8.280 nan 0.000 0.513 554 L N 0.443 121.514 121.223 -0.253 0.000 2.645 554 L HA 0.150 4.491 4.340 0.003 0.000 0.234 554 L C 1.263 178.009 176.870 -0.207 0.000 1.165 554 L CA 0.534 55.245 54.840 -0.215 0.000 0.944 554 L CB 0.228 42.202 42.059 -0.143 0.000 1.149 554 L HN 0.256 nan 8.230 nan 0.000 0.446 555 A N -0.877 121.852 122.820 -0.152 0.000 2.622 555 A HA 0.515 4.837 4.320 0.003 0.000 0.283 555 A C 1.400 179.039 177.584 0.091 0.000 0.998 555 A CA 0.279 52.292 52.037 -0.040 0.000 0.985 555 A CB 0.147 19.132 19.000 -0.025 0.000 1.236 555 A HN 0.158 nan 8.150 nan 0.000 0.559 556 A N 0.112 122.972 122.820 0.067 0.000 2.261 556 A HA 0.132 4.454 4.320 0.003 0.000 0.208 556 A C 1.648 179.361 177.584 0.215 0.000 1.223 556 A CA 1.258 53.463 52.037 0.281 0.000 0.833 556 A CB -0.368 18.682 19.000 0.082 0.000 0.830 556 A HN 0.425 nan 8.150 nan 0.000 0.483 557 K N -0.077 120.413 120.400 0.149 0.000 2.262 557 K HA 0.035 4.357 4.320 0.003 0.000 0.200 557 K C 0.432 177.052 176.600 0.033 0.000 1.049 557 K CA 1.104 57.462 56.287 0.119 0.000 0.979 557 K CB 0.097 32.700 32.500 0.172 0.000 0.773 557 K HN 0.568 nan 8.250 nan 0.000 0.474 558 S N -1.987 113.714 115.700 0.002 0.000 2.588 558 S HA 0.272 4.744 4.470 0.003 0.000 0.269 558 S C 0.265 174.763 174.600 -0.170 0.000 1.157 558 S CA -0.939 57.138 58.200 -0.204 0.000 0.824 558 S CB 0.353 63.310 63.200 -0.405 0.000 1.126 558 S HN -0.074 nan 8.310 nan 0.000 0.464 559 F N 1.534 121.212 119.950 -0.454 0.000 2.146 559 F HA 0.071 4.600 4.527 0.003 0.000 0.298 559 F C 2.983 178.184 175.800 -0.999 0.000 1.096 559 F CA 1.318 58.833 58.000 -0.808 0.000 1.275 559 F CB -1.262 37.320 39.000 -0.697 0.000 1.008 559 F HN 0.687 nan 8.300 nan 0.000 0.480 560 S N -1.257 114.253 115.700 -0.316 0.000 2.419 560 S HA -0.169 4.303 4.470 0.003 0.000 0.233 560 S C 1.968 176.539 174.600 -0.047 0.000 1.016 560 S CA 0.848 58.975 58.200 -0.122 0.000 0.974 560 S CB -0.309 62.846 63.200 -0.076 0.000 0.786 560 S HN 0.321 nan 8.310 nan 0.000 0.492 561 H N 0.677 119.693 119.070 -0.090 0.000 2.307 561 H HA 0.152 4.710 4.556 0.003 0.000 0.303 561 H C 2.597 177.899 175.328 -0.044 0.000 1.073 561 H CA 1.435 57.457 56.048 -0.044 0.000 1.338 561 H CB -0.871 28.861 29.762 -0.050 0.000 1.389 561 H HN 0.303 nan 8.280 nan 0.000 0.503 562 S N 0.626 116.330 115.700 0.007 0.000 2.383 562 S HA -0.129 4.343 4.470 0.003 0.000 0.229 562 S C 2.162 176.807 174.600 0.074 0.000 1.030 562 S CA 1.001 59.182 58.200 -0.032 0.000 1.002 562 S CB -0.505 62.594 63.200 -0.168 0.000 0.829 562 S HN 0.303 nan 8.310 nan 0.000 0.467 563 F N 2.226 122.179 119.950 0.006 0.000 2.031 563 F HA -0.198 4.331 4.527 0.003 0.000 0.295 563 F C 3.098 178.908 175.800 0.016 0.000 1.133 563 F CA 0.993 58.980 58.000 -0.022 0.000 1.188 563 F CB -0.780 38.204 39.000 -0.028 0.000 0.974 563 F HN 0.272 nan 8.300 nan 0.000 0.473 564 S N 0.847 116.699 115.700 0.254 0.000 2.387 564 S HA -0.274 4.197 4.470 0.003 0.000 0.230 564 S C 2.048 176.742 174.600 0.158 0.000 1.035 564 S CA 0.916 59.213 58.200 0.162 0.000 1.014 564 S CB -1.084 62.203 63.200 0.145 0.000 0.836 564 S HN 0.358 nan 8.310 nan 0.000 0.466 565 A N 2.523 125.446 122.820 0.172 0.000 1.865 565 A HA 0.019 4.341 4.320 0.003 0.000 0.217 565 A C 2.374 180.150 177.584 0.319 0.000 1.191 565 A CA 1.726 53.889 52.037 0.211 0.000 0.623 565 A CB -1.002 18.051 19.000 0.088 0.000 0.826 565 A HN 0.556 nan 8.150 nan 0.000 0.444 566 L N -1.045 120.323 121.223 0.242 0.000 2.083 566 L HA -0.196 4.146 4.340 0.003 0.000 0.209 566 L C 3.049 180.069 176.870 0.250 0.000 1.083 566 L CA 1.075 56.038 54.840 0.206 0.000 0.752 566 L CB -0.668 41.367 42.059 -0.040 0.000 0.899 566 L HN 0.474 nan 8.230 nan 0.000 0.433 567 A N 0.048 122.973 122.820 0.176 0.000 1.897 567 A HA -0.196 4.126 4.320 0.003 0.000 0.215 567 A C 2.420 180.073 177.584 0.115 0.000 1.181 567 A CA 1.573 53.681 52.037 0.119 0.000 0.620 567 A CB -0.305 18.722 19.000 0.044 0.000 0.821 567 A HN 0.287 nan 8.150 nan 0.000 0.443 568 K N -0.946 119.489 120.400 0.058 0.000 1.973 568 K HA -0.083 4.239 4.320 0.003 0.000 0.210 568 K C 0.454 176.938 176.600 -0.194 0.000 1.045 568 K CA 1.519 57.703 56.287 -0.171 0.000 0.937 568 K CB -0.291 31.965 32.500 -0.408 0.000 0.721 568 K HN 0.383 nan 8.250 nan 0.000 0.438 569 F N 1.189 121.301 119.950 0.270 0.000 2.757 569 F HA 0.063 4.591 4.527 0.002 0.000 0.292 569 F C 1.714 177.779 175.800 0.442 0.000 1.204 569 F CA -0.081 58.102 58.000 0.305 0.000 1.417 569 F CB -0.298 38.930 39.000 0.381 0.000 1.001 569 F HN 0.313 nan 8.300 nan 0.000 0.508 570 H N 1.158 120.462 119.070 0.390 0.000 2.387 570 H HA -0.175 4.383 4.556 0.003 0.000 0.299 570 H C 2.029 177.562 175.328 0.341 0.000 1.090 570 H CA 2.095 58.372 56.048 0.382 0.000 1.332 570 H CB 0.120 29.984 29.762 0.169 0.000 1.386 570 H HN 0.506 nan 8.280 nan 0.000 0.516 571 E N 0.258 120.651 120.200 0.321 0.000 2.110 571 E HA -0.114 4.238 4.350 0.003 0.000 0.193 571 E C 2.408 179.125 176.600 0.195 0.000 0.988 571 E CA 1.221 57.774 56.400 0.254 0.000 0.804 571 E CB 0.222 30.099 29.700 0.295 0.000 0.745 571 E HN 0.321 nan 8.360 nan 0.000 0.458 572 V N 0.634 120.561 119.914 0.022 0.000 2.261 572 V HA -0.261 3.860 4.120 0.003 0.000 0.246 572 V C 2.071 178.072 176.094 -0.155 0.000 1.047 572 V CA 1.964 64.067 62.300 -0.327 0.000 1.015 572 V CB -0.774 30.532 31.823 -0.861 0.000 0.642 572 V HN 0.279 nan 8.190 nan 0.000 0.446 573 F N 0.498 120.441 119.950 -0.012 0.000 2.063 573 F HA -0.230 4.298 4.527 0.002 0.000 0.298 573 F C 2.515 178.301 175.800 -0.024 0.000 1.109 573 F CA 1.770 59.802 58.000 0.053 0.000 1.212 573 F CB -0.405 38.630 39.000 0.058 0.000 0.973 573 F HN 0.014 nan 8.300 nan 0.000 0.480 574 K N -0.149 120.304 120.400 0.088 0.000 2.360 574 K HA -0.104 4.218 4.320 0.003 0.000 0.201 574 K C 1.832 178.484 176.600 0.087 0.000 1.046 574 K CA 1.396 57.704 56.287 0.035 0.000 0.940 574 K CB -0.966 31.521 32.500 -0.023 0.000 0.748 574 K HN 0.322 nan 8.250 nan 0.000 0.465 575 T N 1.317 115.943 114.554 0.121 0.000 2.898 575 T HA 0.105 4.457 4.350 0.003 0.000 0.241 575 T C 2.030 176.793 174.700 0.105 0.000 1.024 575 T CA 0.305 62.478 62.100 0.121 0.000 1.174 575 T CB -0.112 68.887 68.868 0.219 0.000 0.873 575 T HN 0.036 nan 8.240 nan 0.000 0.422 576 L N 0.977 122.252 121.223 0.086 0.000 2.079 576 L HA -0.015 4.327 4.340 0.003 0.000 0.210 576 L C 1.930 178.907 176.870 0.179 0.000 1.081 576 L CA 1.004 55.902 54.840 0.097 0.000 0.752 576 L CB -0.459 41.611 42.059 0.017 0.000 0.896 576 L HN 0.197 nan 8.230 nan 0.000 0.433 577 A N -0.756 122.169 122.820 0.174 0.000 3.159 577 A HA 0.097 4.419 4.320 0.003 0.000 0.301 577 A C 1.527 179.174 177.584 0.104 0.000 1.271 577 A CA -0.311 51.828 52.037 0.169 0.000 0.998 577 A CB -0.280 18.837 19.000 0.195 0.000 1.101 577 A HN 0.323 nan 8.150 nan 0.000 0.610 578 E N 0.548 120.804 120.200 0.095 0.000 2.358 578 E HA -0.043 4.308 4.350 0.003 0.000 0.195 578 E C 0.793 177.413 176.600 0.032 0.000 1.010 578 E CA 0.863 57.299 56.400 0.060 0.000 0.856 578 E CB 0.165 29.901 29.700 0.059 0.000 0.795 578 E HN 0.715 nan 8.360 nan 0.000 0.504 579 S N -0.482 115.230 115.700 0.021 0.000 2.718 579 S HA 0.194 4.666 4.470 0.003 0.000 0.300 579 S C 0.475 175.024 174.600 -0.084 0.000 1.117 579 S CA -0.856 57.320 58.200 -0.041 0.000 1.002 579 S CB 1.483 64.638 63.200 -0.076 0.000 1.092 579 S HN -0.044 nan 8.310 nan 0.000 0.542 580 D N 0.987 121.323 120.400 -0.105 0.000 2.178 580 D HA -0.085 4.556 4.640 0.003 0.000 0.202 580 D C 1.599 177.800 176.300 -0.165 0.000 0.974 580 D CA 1.328 55.267 54.000 -0.101 0.000 0.841 580 D CB -0.184 40.567 40.800 -0.081 0.000 0.953 580 D HN 0.772 nan 8.370 nan 0.000 0.478 581 E N 0.589 120.586 120.200 -0.338 0.000 2.106 581 E HA -0.074 4.278 4.350 0.003 0.000 0.192 581 E C 2.244 178.518 176.600 -0.543 0.000 0.984 581 E CA 0.977 57.021 56.400 -0.593 0.000 0.806 581 E CB -0.228 28.733 29.700 -1.232 0.000 0.750 581 E HN 0.257 nan 8.360 nan 0.000 0.458 582 G N 1.958 110.515 108.800 -0.406 0.000 2.404 582 G HA2 -0.259 3.703 3.960 0.003 0.000 0.215 582 G HA3 -0.259 3.703 3.960 0.003 0.000 0.215 582 G C 1.453 176.425 174.900 0.120 0.000 1.174 582 G CA 0.612 45.749 45.100 0.062 0.000 0.780 582 G HN 0.079 nan 8.290 nan 0.000 0.537 583 K N -0.380 120.038 120.400 0.031 0.000 2.009 583 K HA -0.078 4.244 4.320 0.003 0.000 0.210 583 K C 2.372 178.982 176.600 0.016 0.000 1.049 583 K CA 1.207 57.509 56.287 0.025 0.000 0.929 583 K CB -0.419 32.072 32.500 -0.015 0.000 0.714 583 K HN 0.242 nan 8.250 nan 0.000 0.440 584 L N 0.898 122.130 121.223 0.015 0.000 2.046 584 L HA -0.188 4.153 4.340 0.003 0.000 0.208 584 L C 2.223 179.174 176.870 0.135 0.000 1.077 584 L CA 1.961 56.836 54.840 0.057 0.000 0.747 584 L CB -0.744 41.351 42.059 0.060 0.000 0.896 584 L HN 0.228 nan 8.230 nan 0.000 0.432 585 H N -1.520 117.602 119.070 0.087 0.000 2.423 585 H HA -0.076 4.482 4.556 0.003 0.000 0.297 585 H C 2.085 177.510 175.328 0.161 0.000 1.075 585 H CA 1.697 57.854 56.048 0.181 0.000 1.342 585 H CB -0.091 29.863 29.762 0.319 0.000 1.395 585 H HN 0.189 nan 8.280 nan 0.000 0.530 586 V N 0.518 120.513 119.914 0.134 0.000 2.233 586 V HA -0.287 3.835 4.120 0.003 0.000 0.247 586 V C 2.671 178.735 176.094 -0.050 0.000 1.050 586 V CA 1.981 64.332 62.300 0.086 0.000 1.010 586 V CB -0.796 31.118 31.823 0.151 0.000 0.637 586 V HN 0.390 nan 8.190 nan 0.000 0.444 587 L N -0.334 120.776 121.223 -0.190 0.000 2.043 587 L HA -0.268 4.074 4.340 0.003 0.000 0.212 587 L C 2.755 179.485 176.870 -0.234 0.000 1.075 587 L CA 2.209 56.725 54.840 -0.540 0.000 0.752 587 L CB -0.631 40.788 42.059 -1.068 0.000 0.891 587 L HN 0.316 nan 8.230 nan 0.000 0.432 588 R N -0.180 120.339 120.500 0.031 0.000 2.081 588 R HA -0.135 4.206 4.340 0.003 0.000 0.235 588 R C 2.127 178.545 176.300 0.198 0.000 1.131 588 R CA 1.478 57.745 56.100 0.279 0.000 0.960 588 R CB -0.100 30.326 30.300 0.210 0.000 0.856 588 R HN 0.158 nan 8.270 nan 0.000 0.436 589 V N 1.159 121.066 119.914 -0.011 0.000 2.488 589 V HA -0.205 3.916 4.120 0.003 0.000 0.246 589 V C 2.441 178.574 176.094 0.065 0.000 1.046 589 V CA 1.582 63.875 62.300 -0.011 0.000 1.053 589 V CB -0.352 31.418 31.823 -0.087 0.000 0.679 589 V HN 0.453 nan 8.190 nan 0.000 0.458 590 M N -0.200 119.451 119.600 0.086 0.000 2.117 590 M HA -0.203 4.279 4.480 0.003 0.000 0.262 590 M C 2.189 178.629 176.300 0.234 0.000 1.065 590 M CA 2.207 57.587 55.300 0.133 0.000 1.114 590 M CB -0.667 31.973 32.600 0.066 0.000 1.361 590 M HN 0.407 nan 8.290 nan 0.000 0.408 591 F N 1.889 121.958 119.950 0.197 0.000 2.171 591 F HA -0.170 4.359 4.527 0.003 0.000 0.300 591 F C 2.065 178.000 175.800 0.226 0.000 1.090 591 F CA 1.632 59.838 58.000 0.343 0.000 1.293 591 F CB -0.390 38.971 39.000 0.603 0.000 1.013 591 F HN 0.214 nan 8.300 nan 0.000 0.486 592 E N 0.269 120.492 120.200 0.038 0.000 2.085 592 E HA -0.161 4.190 4.350 0.003 0.000 0.194 592 E C 2.540 179.029 176.600 -0.185 0.000 0.994 592 E CA 1.542 57.877 56.400 -0.109 0.000 0.801 592 E CB -0.819 28.884 29.700 0.005 0.000 0.743 592 E HN 0.369 nan 8.360 nan 0.000 0.453 593 V N -0.819 119.014 119.914 -0.134 0.000 2.323 593 V HA -0.181 3.941 4.120 0.003 0.000 0.244 593 V C 1.402 177.274 176.094 -0.370 0.000 1.041 593 V CA 1.480 63.622 62.300 -0.263 0.000 1.025 593 V CB -0.382 31.281 31.823 -0.266 0.000 0.656 593 V HN 0.320 nan 8.190 nan 0.000 0.451 594 W N 0.546 121.784 121.300 -0.104 0.000 3.067 594 W HA 0.257 4.918 4.660 0.002 0.000 0.417 594 W C 2.036 178.467 176.519 -0.146 0.000 1.029 594 W CA -0.667 56.630 57.345 -0.082 0.000 1.992 594 W CB 0.076 29.512 29.460 -0.039 0.000 1.122 594 W HN 0.149 nan 8.180 nan 0.000 0.681 595 R N -0.047 120.344 120.500 -0.181 0.000 2.316 595 R HA -0.133 4.209 4.340 0.003 0.000 0.232 595 R C 0.700 176.951 176.300 -0.081 0.000 1.137 595 R CA 1.179 57.067 56.100 -0.352 0.000 1.012 595 R CB -0.432 29.404 30.300 -0.773 0.000 0.859 595 R HN 0.168 nan 8.270 nan 0.000 0.474 596 N N -0.001 118.717 118.700 0.030 0.000 2.280 596 N HA -0.043 4.698 4.740 0.003 0.000 0.192 596 N C -0.516 175.084 175.510 0.150 0.000 1.109 596 N CA 0.344 53.430 53.050 0.061 0.000 0.855 596 N CB 0.363 38.874 38.487 0.041 0.000 0.974 596 N HN 0.246 nan 8.380 nan 0.000 0.482 597 H N 0.394 119.516 119.070 0.087 0.000 2.488 597 H HA 0.339 4.897 4.556 0.003 0.000 0.237 597 H C -2.009 173.264 175.328 -0.091 0.000 1.395 597 H CA -2.306 53.770 56.048 0.047 0.000 1.491 597 H CB 1.029 30.898 29.762 0.178 0.000 1.567 597 H HN -0.128 nan 8.280 nan 0.000 0.508 598 P HA -0.219 nan 4.420 nan 0.000 0.217 598 P C 1.715 178.933 177.300 -0.137 0.000 1.151 598 P CA 1.346 64.209 63.100 -0.395 0.000 0.849 598 P CB 0.414 31.754 31.700 -0.600 0.000 0.787 599 Q N -1.427 118.352 119.800 -0.035 0.000 2.167 599 Q HA -0.178 4.164 4.340 0.003 0.000 0.202 599 Q C 1.999 177.806 176.000 -0.321 0.000 0.970 599 Q CA 1.306 57.091 55.803 -0.030 0.000 0.855 599 Q CB -0.355 28.505 28.738 0.202 0.000 0.911 599 Q HN 0.123 nan 8.270 nan 0.000 0.438 600 M N 0.364 119.518 119.600 -0.744 0.000 2.123 600 M HA -0.093 4.388 4.480 0.003 0.000 0.263 600 M C 1.717 177.639 176.300 -0.630 0.000 1.069 600 M CA 1.472 56.180 55.300 -0.987 0.000 1.133 600 M CB -0.320 31.333 32.600 -1.578 0.000 1.356 600 M HN 0.224 nan 8.290 nan 0.000 0.415 601 I N 0.336 120.704 120.570 -0.337 0.000 2.151 601 I HA -0.350 3.822 4.170 0.003 0.000 0.243 601 I C 2.459 178.550 176.117 -0.044 0.000 1.080 601 I CA 1.478 62.748 61.300 -0.051 0.000 1.339 601 I CB -1.073 37.071 38.000 0.240 0.000 1.039 601 I HN 0.456 nan 8.210 nan 0.000 0.409 602 A N 0.889 123.695 122.820 -0.023 0.000 1.865 602 A HA -0.197 4.125 4.320 0.003 0.000 0.217 602 A C 2.422 179.941 177.584 -0.108 0.000 1.191 602 A CA 2.436 54.474 52.037 0.001 0.000 0.623 602 A CB -1.216 17.815 19.000 0.052 0.000 0.826 602 A HN 0.394 nan 8.150 nan 0.000 0.444 603 V N -1.840 117.926 119.914 -0.248 0.000 2.594 603 V HA -0.169 3.952 4.120 0.003 0.000 0.253 603 V C 2.210 178.218 176.094 -0.144 0.000 1.069 603 V CA 1.932 64.082 62.300 -0.250 0.000 1.082 603 V CB -0.916 30.579 31.823 -0.546 0.000 0.680 603 V HN 0.453 nan 8.190 nan 0.000 0.469 604 L N -0.210 120.891 121.223 -0.204 0.000 2.023 604 L HA -0.045 4.297 4.340 0.003 0.000 0.205 604 L C 2.737 179.522 176.870 -0.142 0.000 1.073 604 L CA 1.380 56.143 54.840 -0.129 0.000 0.745 604 L CB -0.621 41.331 42.059 -0.177 0.000 0.900 604 L HN 0.223 nan 8.230 nan 0.000 0.435 605 V N 0.559 120.381 119.914 -0.152 0.000 2.282 605 V HA -0.382 3.739 4.120 0.003 0.000 0.249 605 V C 2.222 178.232 176.094 -0.140 0.000 1.057 605 V CA 2.375 64.575 62.300 -0.168 0.000 1.032 605 V CB -0.649 31.092 31.823 -0.137 0.000 0.645 605 V HN 0.568 nan 8.190 nan 0.000 0.447 606 D N 0.064 120.394 120.400 -0.116 0.000 2.106 606 D HA -0.279 4.363 4.640 0.003 0.000 0.191 606 D C 2.116 178.321 176.300 -0.158 0.000 0.997 606 D CA 1.839 55.769 54.000 -0.117 0.000 0.834 606 D CB -0.173 40.564 40.800 -0.106 0.000 0.956 606 D HN 0.256 nan 8.370 nan 0.000 0.448 607 K N -0.265 120.016 120.400 -0.199 0.000 2.103 607 K HA -0.090 4.232 4.320 0.003 0.000 0.207 607 K C 2.161 178.643 176.600 -0.196 0.000 1.048 607 K CA 1.323 57.455 56.287 -0.258 0.000 0.930 607 K CB -0.270 32.038 32.500 -0.321 0.000 0.716 607 K HN 0.298 nan 8.250 nan 0.000 0.444 608 M N -0.472 119.017 119.600 -0.184 0.000 2.132 608 M HA -0.116 4.366 4.480 0.003 0.000 0.263 608 M C 2.067 178.278 176.300 -0.148 0.000 1.065 608 M CA 1.494 56.678 55.300 -0.193 0.000 1.122 608 M CB -0.252 32.217 32.600 -0.218 0.000 1.365 608 M HN 0.124 nan 8.290 nan 0.000 0.411 609 I N -0.343 120.144 120.570 -0.138 0.000 2.202 609 I HA -0.290 3.882 4.170 0.003 0.000 0.242 609 I C 2.454 178.502 176.117 -0.114 0.000 1.091 609 I CA 1.359 62.588 61.300 -0.118 0.000 1.368 609 I CB -0.332 37.602 38.000 -0.110 0.000 1.058 609 I HN 0.266 nan 8.210 nan 0.000 0.410 610 R N 0.115 120.542 120.500 -0.122 0.000 2.120 610 R HA -0.131 4.211 4.340 0.003 0.000 0.234 610 R C 1.809 178.050 176.300 -0.098 0.000 1.123 610 R CA 1.862 57.892 56.100 -0.117 0.000 0.975 610 R CB -0.394 29.827 30.300 -0.132 0.000 0.866 610 R HN 0.472 nan 8.270 nan 0.000 0.446 611 T N -2.441 112.062 114.554 -0.084 0.000 3.163 611 T HA 0.104 4.455 4.350 0.003 0.000 0.252 611 T C 0.214 174.949 174.700 0.058 0.000 1.056 611 T CA -0.377 61.711 62.100 -0.020 0.000 0.947 611 T CB 0.248 69.120 68.868 0.006 0.000 1.016 611 T HN 0.205 nan 8.240 nan 0.000 0.554 612 Q N -0.113 119.678 119.800 -0.016 0.000 2.461 612 Q HA -0.180 4.162 4.340 0.003 0.000 0.273 612 Q C 0.752 176.746 176.000 -0.010 0.000 1.163 612 Q CA 0.688 56.484 55.803 -0.012 0.000 0.929 612 Q CB -2.137 26.609 28.738 0.014 0.000 1.334 612 Q HN 0.650 nan 8.270 nan 0.000 0.499 613 I N -0.586 119.950 120.570 -0.056 0.000 2.617 613 I HA -0.055 4.116 4.170 0.003 0.000 0.256 613 I C 1.099 177.184 176.117 -0.054 0.000 1.167 613 I CA 0.886 62.133 61.300 -0.089 0.000 1.469 613 I CB 0.478 38.332 38.000 -0.243 0.000 1.098 613 I HN 0.239 nan 8.210 nan 0.000 0.436 614 V N -2.227 117.642 119.914 -0.076 0.000 3.188 614 V HA 0.577 4.699 4.120 0.003 0.000 0.305 614 V C -1.785 174.265 176.094 -0.074 0.000 1.232 614 V CA -1.053 61.205 62.300 -0.070 0.000 1.043 614 V CB 2.018 33.778 31.823 -0.105 0.000 1.068 614 V HN 0.105 nan 8.190 nan 0.000 0.439 615 D N 0.009 120.370 120.400 -0.064 0.000 2.414 615 D HA 0.420 5.061 4.640 0.003 0.000 0.241 615 D C 1.209 177.468 176.300 -0.067 0.000 1.008 615 D CA -0.061 53.899 54.000 -0.067 0.000 1.001 615 D CB 1.208 41.976 40.800 -0.053 0.000 1.277 615 D HN 0.984 nan 8.370 nan 0.000 0.538 616 C N -0.552 118.705 119.300 -0.073 0.000 2.413 616 C HA 0.079 4.540 4.460 0.003 0.000 0.276 616 C C 2.707 177.659 174.990 -0.064 0.000 1.248 616 C CA 1.088 60.060 59.018 -0.077 0.000 1.742 616 C CB -1.645 26.035 27.740 -0.100 0.000 2.017 616 C HN 0.686 nan 8.230 nan 0.000 0.481 617 A N 1.845 124.629 122.820 -0.059 0.000 1.892 617 A HA 0.100 4.422 4.320 0.003 0.000 0.218 617 A C 2.623 180.196 177.584 -0.018 0.000 1.188 617 A CA 2.965 54.973 52.037 -0.048 0.000 0.631 617 A CB -1.369 17.605 19.000 -0.044 0.000 0.822 617 A HN 1.049 nan 8.150 nan 0.000 0.447 618 A N -0.719 122.090 122.820 -0.018 0.000 1.902 618 A HA -0.025 4.297 4.320 0.003 0.000 0.217 618 A C 2.236 179.853 177.584 0.055 0.000 1.181 618 A CA 1.848 53.889 52.037 0.006 0.000 0.623 618 A CB -1.015 17.971 19.000 -0.023 0.000 0.818 618 A HN 0.443 nan 8.150 nan 0.000 0.443 619 V N -0.151 119.779 119.914 0.026 0.000 2.392 619 V HA -0.277 3.844 4.120 0.003 0.000 0.249 619 V C 3.036 179.224 176.094 0.156 0.000 1.059 619 V CA 1.983 64.339 62.300 0.094 0.000 1.051 619 V CB -1.214 30.619 31.823 0.017 0.000 0.658 619 V HN 0.637 nan 8.190 nan 0.000 0.455 620 A N 0.293 123.157 122.820 0.074 0.000 1.877 620 A HA -0.215 4.107 4.320 0.003 0.000 0.216 620 A C 2.084 179.783 177.584 0.193 0.000 1.186 620 A CA 1.930 54.027 52.037 0.101 0.000 0.620 620 A CB -0.629 18.382 19.000 0.018 0.000 0.822 620 A HN 0.593 nan 8.150 nan 0.000 0.443 621 N N -1.561 117.218 118.700 0.131 0.000 2.244 621 N HA -0.176 4.566 4.740 0.003 0.000 0.183 621 N C 1.474 177.085 175.510 0.168 0.000 1.016 621 N CA 1.442 54.570 53.050 0.129 0.000 0.866 621 N CB -0.422 38.106 38.487 0.069 0.000 0.980 621 N HN 0.789 nan 8.380 nan 0.000 0.430 622 W N 2.572 123.855 121.300 -0.029 0.000 2.355 622 W HA -0.019 4.643 4.660 0.003 0.000 0.309 622 W C 1.900 178.329 176.519 -0.150 0.000 1.206 622 W CA 0.770 58.069 57.345 -0.077 0.000 1.284 622 W CB -0.356 29.054 29.460 -0.083 0.000 1.145 622 W HN -0.130 nan 8.180 nan 0.000 0.502 623 I N 0.166 120.590 120.570 -0.243 0.000 2.194 623 I HA -0.308 3.864 4.170 0.003 0.000 0.246 623 I C 1.791 177.522 176.117 -0.643 0.000 1.093 623 I CA 1.798 62.703 61.300 -0.657 0.000 1.355 623 I CB -1.827 35.774 38.000 -0.666 0.000 1.046 623 I HN -0.043 nan 8.210 nan 0.000 0.413 624 F N 1.231 121.022 119.950 -0.265 0.000 2.732 624 F HA 0.085 4.614 4.527 0.003 0.000 0.303 624 F C 1.719 177.345 175.800 -0.290 0.000 1.110 624 F CA -0.357 57.475 58.000 -0.280 0.000 1.355 624 F CB -0.504 38.359 39.000 -0.229 0.000 1.081 624 F HN -0.044 nan 8.300 nan 0.000 0.565 625 S N -0.283 115.321 115.700 -0.160 0.000 2.584 625 S HA 0.037 4.509 4.470 0.003 0.000 0.270 625 S C 1.554 176.044 174.600 -0.182 0.000 1.346 625 S CA -0.078 58.044 58.200 -0.130 0.000 1.018 625 S CB 1.230 64.369 63.200 -0.102 0.000 0.899 625 S HN 0.299 nan 8.310 nan 0.000 0.542 626 S N 0.943 116.583 115.700 -0.100 0.000 2.419 626 S HA -0.124 4.348 4.470 0.003 0.000 0.233 626 S C 1.252 175.803 174.600 -0.082 0.000 1.016 626 S CA 1.038 59.185 58.200 -0.088 0.000 0.974 626 S CB -0.736 62.443 63.200 -0.035 0.000 0.786 626 S HN 0.805 nan 8.310 nan 0.000 0.492 627 E N 1.186 121.341 120.200 -0.076 0.000 2.333 627 E HA 0.129 4.481 4.350 0.003 0.000 0.198 627 E C 1.526 178.016 176.600 -0.184 0.000 1.007 627 E CA 0.661 57.041 56.400 -0.032 0.000 0.845 627 E CB -0.278 29.462 29.700 0.067 0.000 0.766 627 E HN 0.561 nan 8.360 nan 0.000 0.507 628 L N -0.487 120.507 121.223 -0.383 0.000 2.693 628 L HA 0.140 4.482 4.340 0.003 0.000 0.235 628 L C 1.608 178.343 176.870 -0.224 0.000 1.127 628 L CA -0.027 54.507 54.840 -0.510 0.000 0.914 628 L CB 0.200 41.748 42.059 -0.853 0.000 1.193 628 L HN 0.035 nan 8.230 nan 0.000 0.502 629 S N 0.790 116.396 115.700 -0.157 0.000 2.400 629 S HA -0.251 4.220 4.470 0.003 0.000 0.234 629 S C 1.961 176.608 174.600 0.079 0.000 1.049 629 S CA 1.661 59.820 58.200 -0.069 0.000 1.039 629 S CB -0.220 62.935 63.200 -0.074 0.000 0.856 629 S HN 0.472 nan 8.310 nan 0.000 0.465 630 R N 0.636 121.183 120.500 0.079 0.000 2.236 630 R HA 0.085 4.426 4.340 0.003 0.000 0.208 630 R C 0.740 177.144 176.300 0.174 0.000 1.036 630 R CA 0.960 57.142 56.100 0.137 0.000 1.001 630 R CB 0.007 30.386 30.300 0.133 0.000 0.896 630 R HN 0.308 nan 8.270 nan 0.000 0.464 631 D N -0.677 119.807 120.400 0.139 0.000 2.433 631 D HA 0.002 4.644 4.640 0.003 0.000 0.211 631 D C 0.817 177.116 176.300 -0.001 0.000 1.114 631 D CA -0.059 54.025 54.000 0.140 0.000 0.837 631 D CB 0.210 41.154 40.800 0.241 0.000 0.984 631 D HN 0.019 nan 8.370 nan 0.000 0.505 632 F N 2.438 122.300 119.950 -0.147 0.000 2.184 632 F HA -0.226 4.303 4.527 0.003 0.000 0.301 632 F C 2.254 178.007 175.800 -0.078 0.000 1.076 632 F CA 1.685 59.551 58.000 -0.223 0.000 1.295 632 F CB -0.266 38.718 39.000 -0.027 0.000 1.026 632 F HN -0.042 nan 8.300 nan 0.000 0.494 633 T N -2.285 112.310 114.554 0.069 0.000 3.122 633 T HA 0.234 4.586 4.350 0.003 0.000 0.250 633 T C 0.846 175.608 174.700 0.104 0.000 1.067 633 T CA -0.437 61.709 62.100 0.077 0.000 0.966 633 T CB -0.285 68.650 68.868 0.111 0.000 1.002 633 T HN 0.036 nan 8.240 nan 0.000 0.542 634 R N 0.444 120.964 120.500 0.034 0.000 2.531 634 R HA 0.488 4.829 4.340 0.003 0.000 0.273 634 R C 1.445 177.791 176.300 0.077 0.000 1.070 634 R CA -0.542 55.627 56.100 0.115 0.000 1.112 634 R CB 0.671 31.125 30.300 0.256 0.000 1.049 634 R HN 0.129 nan 8.270 nan 0.000 0.508 635 L N 2.124 123.468 121.223 0.202 0.000 2.012 635 L HA -0.228 4.114 4.340 0.003 0.000 0.210 635 L C 2.285 179.247 176.870 0.153 0.000 1.073 635 L CA 1.603 56.576 54.840 0.221 0.000 0.748 635 L CB -0.590 41.608 42.059 0.230 0.000 0.891 635 L HN 0.728 nan 8.230 nan 0.000 0.431 636 F N -0.277 119.712 119.950 0.066 0.000 2.202 636 F HA -0.135 4.394 4.527 0.003 0.000 0.301 636 F C 2.150 177.914 175.800 -0.059 0.000 1.082 636 F CA 0.947 58.971 58.000 0.041 0.000 1.313 636 F CB -1.494 37.545 39.000 0.066 0.000 1.024 636 F HN -0.238 nan 8.300 nan 0.000 0.495 637 V N 0.230 119.417 119.914 -1.212 0.000 2.287 637 V HA -0.303 3.818 4.120 0.003 0.000 0.248 637 V C 2.140 177.694 176.094 -0.899 0.000 1.053 637 V CA 2.290 63.820 62.300 -1.284 0.000 1.027 637 V CB -0.993 29.878 31.823 -1.587 0.000 0.646 637 V HN 0.565 nan 8.190 nan 0.000 0.447 638 W N 0.037 121.162 121.300 -0.292 0.000 2.476 638 W HA -0.023 4.639 4.660 0.003 0.000 0.281 638 W C 2.460 179.018 176.519 0.065 0.000 1.230 638 W CA 0.822 58.103 57.345 -0.106 0.000 1.287 638 W CB -0.250 29.185 29.460 -0.041 0.000 1.108 638 W HN 0.276 nan 8.180 nan 0.000 0.567 639 E N 1.234 121.565 120.200 0.218 0.000 2.160 639 E HA -0.225 4.127 4.350 0.003 0.000 0.195 639 E C 1.771 178.466 176.600 0.158 0.000 0.991 639 E CA 1.599 58.129 56.400 0.216 0.000 0.810 639 E CB -0.346 29.471 29.700 0.196 0.000 0.742 639 E HN 0.333 nan 8.360 nan 0.000 0.466 640 I N 0.366 120.980 120.570 0.073 0.000 2.277 640 I HA -0.183 3.989 4.170 0.003 0.000 0.243 640 I C 2.467 178.592 176.117 0.013 0.000 1.094 640 I CA 0.288 61.622 61.300 0.056 0.000 1.393 640 I CB -0.152 37.894 38.000 0.077 0.000 1.078 640 I HN 0.217 nan 8.210 nan 0.000 0.417 641 L N 0.379 121.564 121.223 -0.064 0.000 2.079 641 L HA -0.252 4.089 4.340 0.003 0.000 0.210 641 L C 2.538 179.310 176.870 -0.163 0.000 1.081 641 L CA 2.063 56.824 54.840 -0.131 0.000 0.752 641 L CB -0.879 41.068 42.059 -0.187 0.000 0.896 641 L HN 0.278 nan 8.230 nan 0.000 0.433 642 H N -1.959 117.185 119.070 0.123 0.000 2.470 642 H HA 0.019 4.577 4.556 0.003 0.000 0.289 642 H C 2.388 177.784 175.328 0.114 0.000 1.033 642 H CA 1.207 57.351 56.048 0.161 0.000 1.331 642 H CB 0.052 29.934 29.762 0.200 0.000 1.414 642 H HN 0.424 nan 8.280 nan 0.000 0.545 643 S N -0.033 115.762 115.700 0.158 0.000 2.428 643 S HA -0.088 4.384 4.470 0.003 0.000 0.230 643 S C 1.962 176.585 174.600 0.038 0.000 1.014 643 S CA 1.303 59.564 58.200 0.102 0.000 0.957 643 S CB -0.039 63.210 63.200 0.081 0.000 0.784 643 S HN 0.363 nan 8.310 nan 0.000 0.499 644 T N 2.151 116.703 114.554 -0.003 0.000 2.851 644 T HA 0.169 4.521 4.350 0.003 0.000 0.262 644 T C 1.686 176.339 174.700 -0.078 0.000 1.043 644 T CA 1.127 63.198 62.100 -0.048 0.000 1.140 644 T CB -0.245 68.581 68.868 -0.071 0.000 0.872 644 T HN 0.380 nan 8.240 nan 0.000 0.446 645 I N 0.850 121.351 120.570 -0.115 0.000 2.226 645 I HA -0.166 4.005 4.170 0.003 0.000 0.245 645 I C 2.818 178.888 176.117 -0.079 0.000 1.100 645 I CA 1.257 62.429 61.300 -0.212 0.000 1.374 645 I CB -0.339 37.424 38.000 -0.395 0.000 1.057 645 I HN 0.132 nan 8.210 nan 0.000 0.413 646 R N 0.900 121.427 120.500 0.046 0.000 2.081 646 R HA -0.146 4.196 4.340 0.003 0.000 0.235 646 R C 2.310 178.651 176.300 0.068 0.000 1.131 646 R CA 1.202 57.365 56.100 0.105 0.000 0.960 646 R CB -0.267 30.119 30.300 0.144 0.000 0.856 646 R HN 0.347 nan 8.270 nan 0.000 0.436 647 K N 0.126 120.549 120.400 0.037 0.000 2.103 647 K HA -0.179 4.143 4.320 0.003 0.000 0.207 647 K C 2.052 178.683 176.600 0.053 0.000 1.048 647 K CA 1.479 57.784 56.287 0.029 0.000 0.930 647 K CB -0.113 32.380 32.500 -0.012 0.000 0.716 647 K HN 0.021 nan 8.250 nan 0.000 0.444 648 M N 1.556 121.174 119.600 0.029 0.000 2.077 648 M HA -0.154 4.327 4.480 0.003 0.000 0.261 648 M C 1.265 177.639 176.300 0.124 0.000 1.070 648 M CA 1.813 57.151 55.300 0.064 0.000 1.125 648 M CB -0.328 32.270 32.600 -0.003 0.000 1.339 648 M HN 0.121 nan 8.290 nan 0.000 0.409 649 N N -0.501 118.259 118.700 0.101 0.000 2.043 649 N HA -0.188 4.554 4.740 0.003 0.000 0.193 649 N C 1.589 177.160 175.510 0.101 0.000 1.037 649 N CA 1.283 54.404 53.050 0.119 0.000 0.851 649 N CB -0.185 38.380 38.487 0.130 0.000 1.027 649 N HN 0.251 nan 8.380 nan 0.000 0.422 650 K N 0.802 121.261 120.400 0.099 0.000 2.044 650 K HA -0.213 4.109 4.320 0.003 0.000 0.210 650 K C 1.953 178.609 176.600 0.092 0.000 1.049 650 K CA 1.206 57.544 56.287 0.084 0.000 0.927 650 K CB -0.934 31.614 32.500 0.080 0.000 0.713 650 K HN 0.496 nan 8.250 nan 0.000 0.443 651 H N 0.836 119.920 119.070 0.023 0.000 2.289 651 H HA -0.125 4.433 4.556 0.003 0.000 0.296 651 H C 2.052 177.396 175.328 0.027 0.000 1.091 651 H CA 2.019 58.078 56.048 0.019 0.000 1.274 651 H CB 0.108 29.877 29.762 0.012 0.000 1.364 651 H HN -0.103 nan 8.280 nan 0.000 0.490 652 V N 1.690 121.581 119.914 -0.038 0.000 2.252 652 V HA -0.315 3.807 4.120 0.003 0.000 0.249 652 V C 3.096 179.145 176.094 -0.075 0.000 1.056 652 V CA 1.930 64.184 62.300 -0.076 0.000 1.022 652 V CB -0.819 31.028 31.823 0.040 0.000 0.641 652 V HN 0.382 nan 8.190 nan 0.000 0.445 653 L N -0.320 120.891 121.223 -0.020 0.000 2.013 653 L HA -0.286 4.056 4.340 0.003 0.000 0.212 653 L C 2.636 179.485 176.870 -0.036 0.000 1.073 653 L CA 2.353 57.184 54.840 -0.015 0.000 0.753 653 L CB -0.659 41.406 42.059 0.010 0.000 0.890 653 L HN 0.386 nan 8.230 nan 0.000 0.432 654 K N 0.852 121.223 120.400 -0.048 0.000 1.991 654 K HA -0.216 4.106 4.320 0.003 0.000 0.212 654 K C 2.051 178.606 176.600 -0.074 0.000 1.049 654 K CA 1.745 58.003 56.287 -0.048 0.000 0.932 654 K CB -0.186 32.294 32.500 -0.032 0.000 0.717 654 K HN 0.192 nan 8.250 nan 0.000 0.441 655 I N 1.047 121.531 120.570 -0.145 0.000 2.264 655 I HA -0.309 3.863 4.170 0.003 0.000 0.248 655 I C 2.598 178.671 176.117 -0.072 0.000 1.111 655 I CA 1.342 62.566 61.300 -0.126 0.000 1.382 655 I CB -0.328 37.551 38.000 -0.201 0.000 1.060 655 I HN 0.348 nan 8.210 nan 0.000 0.418 656 Q N 1.057 120.819 119.800 -0.064 0.000 2.061 656 Q HA -0.270 4.071 4.340 0.003 0.000 0.204 656 Q C 2.266 178.251 176.000 -0.025 0.000 0.984 656 Q CA 2.142 57.924 55.803 -0.035 0.000 0.846 656 Q CB -0.200 28.524 28.738 -0.024 0.000 0.902 656 Q HN 0.575 nan 8.270 nan 0.000 0.421 657 K N 0.821 121.206 120.400 -0.025 0.000 2.002 657 K HA -0.207 4.115 4.320 0.003 0.000 0.209 657 K C 1.674 178.264 176.600 -0.016 0.000 1.048 657 K CA 1.754 58.031 56.287 -0.017 0.000 0.930 657 K CB -0.247 32.245 32.500 -0.013 0.000 0.714 657 K HN 0.127 nan 8.250 nan 0.000 0.438 658 E N 0.714 120.902 120.200 -0.020 0.000 2.086 658 E HA -0.234 4.117 4.350 0.003 0.000 0.200 658 E C 2.089 178.681 176.600 -0.013 0.000 1.012 658 E CA 1.571 57.961 56.400 -0.015 0.000 0.812 658 E CB -0.266 29.423 29.700 -0.018 0.000 0.743 658 E HN 0.291 nan 8.360 nan 0.000 0.453 659 L N 1.589 122.803 121.223 -0.016 0.000 2.012 659 L HA -0.241 4.101 4.340 0.003 0.000 0.210 659 L C 2.324 179.189 176.870 -0.009 0.000 1.073 659 L CA 2.160 56.993 54.840 -0.011 0.000 0.748 659 L CB -0.534 41.517 42.059 -0.012 0.000 0.891 659 L HN 0.033 nan 8.230 nan 0.000 0.431 660 E N 0.257 120.451 120.200 -0.011 0.000 2.065 660 E HA -0.287 4.065 4.350 0.003 0.000 0.201 660 E C 1.999 178.594 176.600 -0.008 0.000 1.016 660 E CA 2.323 58.717 56.400 -0.009 0.000 0.818 660 E CB -0.371 29.323 29.700 -0.010 0.000 0.749 660 E HN 0.678 nan 8.360 nan 0.000 0.453 661 E N -0.173 120.022 120.200 -0.008 0.000 2.051 661 E HA -0.129 4.223 4.350 0.003 0.000 0.192 661 E C 2.119 178.715 176.600 -0.005 0.000 0.991 661 E CA 1.116 57.512 56.400 -0.006 0.000 0.799 661 E CB -0.329 29.367 29.700 -0.006 0.000 0.748 661 E HN 0.419 nan 8.360 nan 0.000 0.449 662 A N 1.319 124.136 122.820 -0.005 0.000 2.019 662 A HA -0.198 4.124 4.320 0.003 0.000 0.219 662 A C 1.959 179.541 177.584 -0.004 0.000 1.164 662 A CA 1.267 53.301 52.037 -0.004 0.000 0.644 662 A CB -0.252 18.745 19.000 -0.004 0.000 0.805 662 A HN 0.016 nan 8.150 nan 0.000 0.449 663 K N -0.469 119.929 120.400 -0.004 0.000 2.296 663 K HA -0.035 4.287 4.320 0.003 0.000 0.200 663 K C 0.350 176.948 176.600 -0.004 0.000 1.048 663 K CA 0.641 56.925 56.287 -0.004 0.000 0.966 663 K CB 0.122 32.619 32.500 -0.004 0.000 0.754 663 K HN 0.271 nan 8.250 nan 0.000 0.466 664 E N 1.236 121.433 120.200 -0.005 0.000 2.296 664 E HA 0.073 4.425 4.350 0.003 0.000 0.196 664 E C -0.355 176.242 176.600 -0.004 0.000 1.143 664 E CA 0.324 56.721 56.400 -0.005 0.000 1.145 664 E CB 0.215 29.911 29.700 -0.006 0.000 1.215 664 E HN 0.187 nan 8.360 nan 0.000 0.447 688 L N 1.558 122.782 121.223 0.001 0.000 2.357 688 L HA -0.135 4.207 4.340 0.003 0.000 0.220 688 L C 2.040 178.911 176.870 0.001 0.000 1.123 688 L CA 2.261 57.101 54.840 0.001 0.000 0.782 688 L CB -0.385 41.675 42.059 0.000 0.000 0.910 688 L HN 0.463 nan 8.230 nan 0.000 0.442 689 E N -0.808 119.393 120.200 0.002 0.000 2.099 689 E HA -0.163 4.189 4.350 0.003 0.000 0.191 689 E C 1.946 178.548 176.600 0.003 0.000 0.962 689 E CA 0.853 57.255 56.400 0.002 0.000 0.826 689 E CB -0.085 29.616 29.700 0.002 0.000 0.788 689 E HN 0.545 nan 8.360 nan 0.000 0.461 690 E N 1.460 121.662 120.200 0.003 0.000 2.187 690 E HA -0.274 4.077 4.350 0.003 0.000 0.199 690 E C 2.010 178.613 176.600 0.005 0.000 1.004 690 E CA 1.643 58.046 56.400 0.004 0.000 0.813 690 E CB 0.039 29.741 29.700 0.004 0.000 0.736 690 E HN 0.016 nan 8.360 nan 0.000 0.468 691 Q N 0.266 120.068 119.800 0.004 0.000 2.020 691 Q HA -0.003 4.339 4.340 0.003 0.000 0.198 691 Q C 2.059 178.061 176.000 0.003 0.000 0.974 691 Q CA 1.894 57.699 55.803 0.004 0.000 0.829 691 Q CB -0.289 28.450 28.738 0.002 0.000 0.894 691 Q HN 0.492 nan 8.270 nan 0.000 0.433 692 I N 1.042 121.613 120.570 0.002 0.000 2.530 692 I HA -0.218 3.954 4.170 0.003 0.000 0.257 692 I C 2.346 178.465 176.117 0.003 0.000 1.179 692 I CA 1.287 62.587 61.300 0.001 0.000 1.440 692 I CB -0.426 37.574 38.000 0.001 0.000 1.087 692 I HN 0.432 nan 8.210 nan 0.000 0.440 693 E N 1.731 121.933 120.200 0.004 0.000 2.072 693 E HA -0.224 4.128 4.350 0.003 0.000 0.190 693 E C 2.327 178.931 176.600 0.007 0.000 0.982 693 E CA 0.928 57.331 56.400 0.006 0.000 0.803 693 E CB 0.015 29.719 29.700 0.006 0.000 0.755 693 E HN 0.415 nan 8.360 nan 0.000 0.453 694 R N 0.406 120.910 120.500 0.007 0.000 2.073 694 R HA -0.029 4.312 4.340 0.003 0.000 0.229 694 R C 2.687 178.991 176.300 0.008 0.000 1.120 694 R CA 0.760 56.865 56.100 0.009 0.000 0.967 694 R CB -0.224 30.081 30.300 0.010 0.000 0.862 694 R HN 0.212 nan 8.270 nan 0.000 0.436 695 L N 0.768 121.993 121.223 0.004 0.000 2.191 695 L HA -0.188 4.154 4.340 0.003 0.000 0.212 695 L C 2.615 179.485 176.870 -0.001 0.000 1.103 695 L CA 1.173 56.012 54.840 -0.002 0.000 0.769 695 L CB -0.312 41.744 42.059 -0.005 0.000 0.908 695 L HN 0.300 nan 8.230 nan 0.000 0.438 696 Q N 0.561 120.362 119.800 0.003 0.000 2.046 696 Q HA -0.209 4.133 4.340 0.003 0.000 0.200 696 Q C 1.970 177.976 176.000 0.010 0.000 0.975 696 Q CA 1.696 57.502 55.803 0.005 0.000 0.836 696 Q CB 0.004 28.746 28.738 0.007 0.000 0.896 696 Q HN 0.447 nan 8.270 nan 0.000 0.428 697 E N 0.105 120.312 120.200 0.012 0.000 2.085 697 E HA -0.230 4.122 4.350 0.003 0.000 0.194 697 E C 1.974 178.587 176.600 0.021 0.000 0.994 697 E CA 1.177 57.587 56.400 0.017 0.000 0.801 697 E CB -0.163 29.548 29.700 0.017 0.000 0.743 697 E HN 0.265 nan 8.360 nan 0.000 0.453 698 K N 0.808 121.218 120.400 0.017 0.000 2.097 698 K HA -0.114 4.208 4.320 0.003 0.000 0.205 698 K C 2.154 178.759 176.600 0.007 0.000 1.050 698 K CA 0.763 57.062 56.287 0.020 0.000 0.938 698 K CB 0.091 32.599 32.500 0.012 0.000 0.718 698 K HN -0.041 nan 8.250 nan 0.000 0.442 699 V N 1.996 121.908 119.914 -0.004 0.000 2.295 699 V HA -0.250 3.871 4.120 0.003 0.000 0.246 699 V C 2.175 178.280 176.094 0.019 0.000 1.049 699 V CA 1.752 64.048 62.300 -0.007 0.000 1.024 699 V CB -0.390 31.431 31.823 -0.004 0.000 0.648 699 V HN 0.367 nan 8.190 nan 0.000 0.447 700 E N 0.485 120.700 120.200 0.025 0.000 2.021 700 E HA -0.226 4.126 4.350 0.003 0.000 0.200 700 E C 2.410 179.036 176.600 0.044 0.000 1.015 700 E CA 1.970 58.391 56.400 0.035 0.000 0.824 700 E CB -0.766 28.952 29.700 0.029 0.000 0.762 700 E HN 0.575 nan 8.360 nan 0.000 0.454 701 S N 1.290 117.016 115.700 0.044 0.000 2.359 701 S HA -0.190 4.282 4.470 0.003 0.000 0.224 701 S C 2.149 176.793 174.600 0.074 0.000 1.035 701 S CA 1.346 59.578 58.200 0.054 0.000 1.018 701 S CB -0.419 62.815 63.200 0.056 0.000 0.876 701 S HN 0.463 nan 8.310 nan 0.000 0.448 702 A N 1.644 124.513 122.820 0.082 0.000 1.865 702 A HA -0.234 4.088 4.320 0.003 0.000 0.217 702 A C 2.158 179.806 177.584 0.107 0.000 1.191 702 A CA 1.749 53.854 52.037 0.113 0.000 0.623 702 A CB -0.824 18.190 19.000 0.024 0.000 0.826 702 A HN 0.584 nan 8.150 nan 0.000 0.444 703 Q N -0.668 119.184 119.800 0.087 0.000 2.124 703 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 703 Q C 2.466 178.538 176.000 0.120 0.000 0.977 703 Q CA 1.641 57.515 55.803 0.119 0.000 0.850 703 Q CB -0.335 28.468 28.738 0.108 0.000 0.901 703 Q HN 0.718 nan 8.270 nan 0.000 0.429 704 S N 1.014 116.763 115.700 0.081 0.000 2.356 704 S HA -0.244 4.228 4.470 0.003 0.000 0.223 704 S C 1.915 176.542 174.600 0.045 0.000 1.032 704 S CA 1.576 59.807 58.200 0.052 0.000 1.005 704 S CB -0.138 63.085 63.200 0.038 0.000 0.867 704 S HN 0.454 nan 8.310 nan 0.000 0.449 705 E N 0.005 120.239 120.200 0.057 0.000 2.204 705 E HA -0.197 4.155 4.350 0.003 0.000 0.194 705 E C 2.238 178.872 176.600 0.056 0.000 0.989 705 E CA 0.988 57.413 56.400 0.042 0.000 0.824 705 E CB -0.254 29.473 29.700 0.045 0.000 0.756 705 E HN 0.746 nan 8.360 nan 0.000 0.477 706 Q N 0.657 120.527 119.800 0.117 0.000 2.079 706 Q HA -0.180 4.162 4.340 0.003 0.000 0.200 706 Q C 2.211 178.385 176.000 0.290 0.000 0.974 706 Q CA 1.345 57.270 55.803 0.202 0.000 0.840 706 Q CB 0.014 28.920 28.738 0.281 0.000 0.898 706 Q HN 0.078 nan 8.270 nan 0.000 0.430 707 K N 0.296 120.794 120.400 0.163 0.000 2.057 707 K HA -0.210 4.111 4.320 0.003 0.000 0.207 707 K C 1.745 178.292 176.600 -0.088 0.000 1.049 707 K CA 1.624 57.815 56.287 -0.161 0.000 0.931 707 K CB -0.133 32.151 32.500 -0.360 0.000 0.714 707 K HN 0.138 nan 8.250 nan 0.000 0.440 708 N N 0.678 119.356 118.700 -0.036 0.000 2.223 708 N HA -0.181 4.561 4.740 0.003 0.000 0.185 708 N C 1.759 177.242 175.510 -0.046 0.000 1.016 708 N CA 0.785 53.812 53.050 -0.039 0.000 0.863 708 N CB -0.101 38.367 38.487 -0.030 0.000 0.983 708 N HN 0.145 nan 8.380 nan 0.000 0.429 709 L N -0.551 120.632 121.223 -0.068 0.000 2.046 709 L HA 0.048 4.389 4.340 0.003 0.000 0.208 709 L C 1.554 178.250 176.870 -0.290 0.000 1.077 709 L CA 1.634 56.354 54.840 -0.200 0.000 0.747 709 L CB -0.811 41.065 42.059 -0.304 0.000 0.896 709 L HN 0.163 nan 8.230 nan 0.000 0.432 710 F N -1.516 118.381 119.950 -0.088 0.000 2.186 710 F HA -0.171 4.358 4.527 0.003 0.000 0.299 710 F C 2.200 177.958 175.800 -0.071 0.000 1.090 710 F CA 0.934 58.845 58.000 -0.148 0.000 1.307 710 F CB -0.501 38.578 39.000 0.131 0.000 1.019 710 F HN 0.065 nan 8.300 nan 0.000 0.489 711 L N -0.350 120.975 121.223 0.169 0.000 2.012 711 L HA -0.195 4.147 4.340 0.003 0.000 0.210 711 L C 2.336 179.237 176.870 0.052 0.000 1.073 711 L CA 1.369 56.296 54.840 0.146 0.000 0.748 711 L CB -0.743 41.334 42.059 0.029 0.000 0.891 711 L HN -0.072 nan 8.230 nan 0.000 0.431 712 V N -0.481 119.407 119.914 -0.043 0.000 2.307 712 V HA -0.301 3.820 4.120 0.003 0.000 0.245 712 V C 2.368 178.355 176.094 -0.178 0.000 1.045 712 V CA 1.961 64.200 62.300 -0.102 0.000 1.024 712 V CB -0.425 31.334 31.823 -0.107 0.000 0.651 712 V HN 0.351 nan 8.190 nan 0.000 0.449 713 I N -0.734 119.711 120.570 -0.209 0.000 2.151 713 I HA -0.289 3.883 4.170 0.003 0.000 0.243 713 I C 2.371 178.412 176.117 -0.126 0.000 1.080 713 I CA 1.896 63.046 61.300 -0.249 0.000 1.339 713 I CB -0.509 37.344 38.000 -0.246 0.000 1.039 713 I HN 0.224 nan 8.210 nan 0.000 0.409 714 F N 1.041 121.051 119.950 0.100 0.000 2.146 714 F HA -0.187 4.342 4.527 0.003 0.000 0.298 714 F C 2.738 178.530 175.800 -0.013 0.000 1.096 714 F CA 1.251 59.343 58.000 0.154 0.000 1.275 714 F CB -0.987 38.110 39.000 0.161 0.000 1.008 714 F HN 0.086 nan 8.300 nan 0.000 0.480 715 Q N -0.284 119.560 119.800 0.074 0.000 2.124 715 Q HA -0.175 4.166 4.340 0.003 0.000 0.202 715 Q C 2.306 178.233 176.000 -0.121 0.000 0.977 715 Q CA 1.063 56.834 55.803 -0.052 0.000 0.850 715 Q CB -0.147 28.548 28.738 -0.072 0.000 0.901 715 Q HN 0.251 nan 8.270 nan 0.000 0.429 716 R N -0.095 120.222 120.500 -0.305 0.000 2.073 716 R HA -0.061 4.280 4.340 0.003 0.000 0.229 716 R C 2.017 178.082 176.300 -0.392 0.000 1.120 716 R CA 1.047 56.808 56.100 -0.564 0.000 0.967 716 R CB -0.761 28.717 30.300 -1.370 0.000 0.862 716 R HN 0.251 nan 8.270 nan 0.000 0.436 717 F N 1.258 121.071 119.950 -0.228 0.000 2.102 717 F HA -0.105 4.424 4.527 0.003 0.000 0.298 717 F C 2.423 178.315 175.800 0.154 0.000 1.105 717 F CA 1.018 59.092 58.000 0.125 0.000 1.239 717 F CB -0.545 38.611 39.000 0.261 0.000 0.991 717 F HN -0.110 nan 8.300 nan 0.000 0.474 718 I N -0.825 119.912 120.570 0.278 0.000 2.163 718 I HA -0.384 3.787 4.170 0.003 0.000 0.243 718 I C 2.623 178.829 176.117 0.148 0.000 1.085 718 I CA 1.480 62.882 61.300 0.171 0.000 1.347 718 I CB -0.443 37.548 38.000 -0.016 0.000 1.044 718 I HN 0.182 nan 8.210 nan 0.000 0.408 719 M N 1.004 120.652 119.600 0.079 0.000 2.080 719 M HA -0.231 4.251 4.480 0.003 0.000 0.260 719 M C 2.406 178.783 176.300 0.128 0.000 1.068 719 M CA 2.151 57.489 55.300 0.063 0.000 1.109 719 M CB -0.203 32.393 32.600 -0.006 0.000 1.342 719 M HN 0.293 nan 8.290 nan 0.000 0.405 720 I N -2.029 118.649 120.570 0.181 0.000 2.546 720 I HA -0.186 3.986 4.170 0.003 0.000 0.255 720 I C 1.799 178.185 176.117 0.447 0.000 1.163 720 I CA 1.024 62.496 61.300 0.286 0.000 1.457 720 I CB -0.538 37.675 38.000 0.355 0.000 1.092 720 I HN 0.255 nan 8.210 nan 0.000 0.434 721 L N 0.987 122.482 121.223 0.454 0.000 2.109 721 L HA -0.078 4.264 4.340 0.003 0.000 0.207 721 L C 2.689 179.809 176.870 0.417 0.000 1.086 721 L CA 1.490 56.638 54.840 0.514 0.000 0.760 721 L CB -0.802 41.532 42.059 0.460 0.000 0.910 721 L HN 0.243 nan 8.230 nan 0.000 0.437 722 T N -0.936 113.792 114.554 0.290 0.000 2.737 722 T HA -0.238 4.113 4.350 0.003 0.000 0.265 722 T C 1.752 176.556 174.700 0.173 0.000 1.038 722 T CA 1.475 63.700 62.100 0.208 0.000 1.144 722 T CB -0.133 68.820 68.868 0.142 0.000 0.866 722 T HN 0.361 nan 8.240 nan 0.000 0.434 723 E N 0.119 120.416 120.200 0.162 0.000 2.097 723 E HA -0.297 4.054 4.350 0.003 0.000 0.196 723 E C 2.046 178.705 176.600 0.097 0.000 1.000 723 E CA 1.655 58.115 56.400 0.101 0.000 0.804 723 E CB -0.120 29.627 29.700 0.079 0.000 0.740 723 E HN 0.690 nan 8.360 nan 0.000 0.454 724 H N 0.032 119.157 119.070 0.092 0.000 2.299 724 H HA -0.030 4.528 4.556 0.003 0.000 0.302 724 H C 2.137 177.499 175.328 0.057 0.000 1.078 724 H CA 1.836 57.923 56.048 0.066 0.000 1.323 724 H CB -0.222 29.695 29.762 0.258 0.000 1.381 724 H HN 0.129 nan 8.280 nan 0.000 0.498 725 L N -0.383 120.922 121.223 0.136 0.000 2.042 725 L HA -0.181 4.161 4.340 0.003 0.000 0.210 725 L C 2.520 179.366 176.870 -0.041 0.000 1.076 725 L CA 1.130 55.980 54.840 0.018 0.000 0.749 725 L CB -0.453 41.692 42.059 0.143 0.000 0.893 725 L HN 0.230 nan 8.230 nan 0.000 0.432 726 V N -0.251 119.664 119.914 0.002 0.000 2.244 726 V HA -0.297 3.824 4.120 0.003 0.000 0.244 726 V C 2.663 178.724 176.094 -0.056 0.000 1.042 726 V CA 1.991 64.285 62.300 -0.010 0.000 1.006 726 V CB -0.664 31.166 31.823 0.013 0.000 0.641 726 V HN 0.457 nan 8.190 nan 0.000 0.446 727 R N -0.565 119.887 120.500 -0.080 0.000 2.113 727 R HA -0.260 4.082 4.340 0.003 0.000 0.244 727 R C 2.312 178.529 176.300 -0.137 0.000 1.142 727 R CA 2.607 58.645 56.100 -0.104 0.000 0.953 727 R CB -0.785 29.440 30.300 -0.125 0.000 0.860 727 R HN 0.571 nan 8.270 nan 0.000 0.438 728 C N 0.694 119.860 119.300 -0.224 0.000 2.436 728 C HA -0.039 4.422 4.460 0.003 0.000 0.277 728 C C 2.442 177.358 174.990 -0.123 0.000 1.241 728 C CA 0.482 59.369 59.018 -0.218 0.000 1.721 728 C CB -0.833 26.695 27.740 -0.354 0.000 2.043 728 C HN 0.566 nan 8.230 nan 0.000 0.472 729 E N 0.246 120.387 120.200 -0.097 0.000 2.515 729 E HA -0.105 4.247 4.350 0.003 0.000 0.201 729 E C 1.615 178.195 176.600 -0.034 0.000 1.071 729 E CA 0.841 57.213 56.400 -0.046 0.000 0.880 729 E CB -0.023 29.668 29.700 -0.017 0.000 0.828 729 E HN 0.622 nan 8.360 nan 0.000 0.540 730 T N -0.248 114.278 114.554 -0.046 0.000 3.056 730 T HA 0.010 4.362 4.350 0.003 0.000 0.243 730 T C 0.606 175.286 174.700 -0.035 0.000 0.995 730 T CA 0.202 62.282 62.100 -0.033 0.000 1.091 730 T CB 0.192 69.041 68.868 -0.033 0.000 0.990 730 T HN 0.020 nan 8.240 nan 0.000 0.464 731 D N 1.304 121.675 120.400 -0.048 0.000 2.325 731 D HA 0.276 4.917 4.640 0.003 0.000 0.225 731 D C 1.337 177.615 176.300 -0.038 0.000 1.096 731 D CA 0.123 54.098 54.000 -0.041 0.000 0.844 731 D CB -0.489 40.282 40.800 -0.049 0.000 0.925 731 D HN 0.420 nan 8.370 nan 0.000 0.513 732 G N 1.922 110.700 108.800 -0.037 0.000 2.390 732 G HA2 -0.285 3.676 3.960 0.003 0.000 0.299 732 G HA3 -0.285 3.676 3.960 0.003 0.000 0.299 732 G C 0.564 175.444 174.900 -0.033 0.000 1.002 732 G CA 1.046 46.128 45.100 -0.030 0.000 0.979 732 G HN 0.438 nan 8.290 nan 0.000 0.513 733 T N -2.322 112.202 114.554 -0.051 0.000 2.943 733 T HA 0.710 5.062 4.350 0.003 0.000 0.284 733 T C 0.611 175.280 174.700 -0.052 0.000 1.015 733 T CA 0.042 62.114 62.100 -0.046 0.000 1.042 733 T CB 1.717 70.552 68.868 -0.055 0.000 1.055 733 T HN 0.734 nan 8.240 nan 0.000 0.500 734 S N 1.071 116.757 115.700 -0.023 0.000 2.537 734 S HA 0.119 4.591 4.470 0.003 0.000 0.286 734 S C 1.398 175.982 174.600 -0.026 0.000 1.299 734 S CA -0.892 57.301 58.200 -0.012 0.000 1.067 734 S CB 0.753 63.967 63.200 0.023 0.000 0.864 734 S HN 0.576 nan 8.310 nan 0.000 0.494 735 V N 2.737 122.606 119.914 -0.075 0.000 2.649 735 V HA -0.017 4.105 4.120 0.003 0.000 0.248 735 V C 0.999 177.034 176.094 -0.099 0.000 1.054 735 V CA 1.099 63.314 62.300 -0.142 0.000 1.073 735 V CB -0.498 31.110 31.823 -0.359 0.000 0.699 735 V HN 0.736 nan 8.190 nan 0.000 0.463 736 L N 2.683 123.880 121.223 -0.044 0.000 2.382 736 L HA 0.187 4.529 4.340 0.003 0.000 0.259 736 L C 0.715 177.692 176.870 0.178 0.000 1.291 736 L CA -0.054 54.838 54.840 0.086 0.000 1.176 736 L CB -0.873 41.239 42.059 0.088 0.000 1.373 736 L HN 0.361 nan 8.230 nan 0.000 0.426 737 T N -2.451 112.270 114.554 0.278 0.000 2.944 737 T HA 0.421 4.773 4.350 0.003 0.000 0.284 737 T C -1.906 172.963 174.700 0.282 0.000 1.010 737 T CA -2.043 60.222 62.100 0.276 0.000 1.025 737 T CB 2.055 71.130 68.868 0.344 0.000 1.079 737 T HN -0.021 nan 8.240 nan 0.000 0.516 738 P HA -0.015 nan 4.420 nan 0.000 0.215 738 P C 1.034 178.461 177.300 0.211 0.000 1.153 738 P CA 0.749 63.962 63.100 0.188 0.000 0.853 738 P CB -0.077 31.725 31.700 0.171 0.000 0.788 739 W N -0.776 120.595 121.300 0.118 0.000 2.335 739 W HA -0.273 4.389 4.660 0.003 0.000 0.311 739 W C 2.348 178.914 176.519 0.078 0.000 1.213 739 W CA 1.395 58.813 57.345 0.121 0.000 1.274 739 W CB -1.170 28.368 29.460 0.131 0.000 1.148 739 W HN -0.071 nan 8.180 nan 0.000 0.498 740 Y N 1.725 122.147 120.300 0.203 0.000 2.128 740 Y HA -0.305 4.247 4.550 0.003 0.000 0.284 740 Y C 2.711 178.530 175.900 -0.135 0.000 1.154 740 Y CA 2.907 60.969 58.100 -0.064 0.000 1.149 740 Y CB -0.955 37.486 38.460 -0.031 0.000 0.976 740 Y HN 0.002 nan 8.280 nan 0.000 0.505 741 K N 0.166 120.543 120.400 -0.037 0.000 2.020 741 K HA -0.328 3.994 4.320 0.003 0.000 0.212 741 K C 2.085 178.519 176.600 -0.277 0.000 1.050 741 K CA 2.090 58.297 56.287 -0.133 0.000 0.929 741 K CB -0.517 31.983 32.500 -0.001 0.000 0.714 741 K HN 0.445 nan 8.250 nan 0.000 0.443 742 N N 0.257 118.800 118.700 -0.262 0.000 2.058 742 N HA -0.206 4.535 4.740 0.003 0.000 0.191 742 N C 1.983 177.209 175.510 -0.473 0.000 1.037 742 N CA 1.857 54.708 53.050 -0.331 0.000 0.848 742 N CB -0.573 37.757 38.487 -0.262 0.000 1.021 742 N HN 0.363 nan 8.380 nan 0.000 0.422 743 C N -0.582 118.361 119.300 -0.595 0.000 2.413 743 C HA -0.011 4.450 4.460 0.003 0.000 0.276 743 C C 2.620 177.393 174.990 -0.362 0.000 1.248 743 C CA 0.660 59.390 59.018 -0.479 0.000 1.742 743 C CB -1.446 25.791 27.740 -0.838 0.000 2.017 743 C HN 0.660 nan 8.230 nan 0.000 0.481 744 I N 0.911 121.142 120.570 -0.564 0.000 2.315 744 I HA -0.109 4.063 4.170 0.003 0.000 0.248 744 I C 2.321 178.232 176.117 -0.343 0.000 1.117 744 I CA 1.806 62.825 61.300 -0.467 0.000 1.404 744 I CB -0.513 37.054 38.000 -0.721 0.000 1.071 744 I HN 0.401 nan 8.210 nan 0.000 0.419 745 E N -0.368 119.618 120.200 -0.356 0.000 2.358 745 E HA -0.102 4.250 4.350 0.003 0.000 0.195 745 E C 1.998 178.383 176.600 -0.360 0.000 1.010 745 E CA 0.165 56.391 56.400 -0.290 0.000 0.856 745 E CB 0.069 29.618 29.700 -0.251 0.000 0.795 745 E HN 0.322 nan 8.360 nan 0.000 0.504 746 R N 0.397 120.596 120.500 -0.502 0.000 2.093 746 R HA -0.042 4.300 4.340 0.003 0.000 0.224 746 R C 2.318 178.256 176.300 -0.603 0.000 1.101 746 R CA 0.438 56.129 56.100 -0.682 0.000 0.979 746 R CB -0.589 29.018 30.300 -1.155 0.000 0.877 746 R HN 0.192 nan 8.270 nan 0.000 0.441 747 L N 1.713 122.453 121.223 -0.805 0.000 2.017 747 L HA -0.142 4.200 4.340 0.003 0.000 0.208 747 L C 2.466 179.188 176.870 -0.247 0.000 1.073 747 L CA 1.856 56.120 54.840 -0.960 0.000 0.745 747 L CB -0.735 40.864 42.059 -0.766 0.000 0.894 747 L HN 0.177 nan 8.230 nan 0.000 0.432 748 Q N -0.717 119.014 119.800 -0.115 0.000 2.112 748 Q HA -0.324 4.018 4.340 0.003 0.000 0.206 748 Q C 2.306 178.348 176.000 0.071 0.000 0.987 748 Q CA 2.325 58.168 55.803 0.067 0.000 0.858 748 Q CB -0.290 28.429 28.738 -0.031 0.000 0.905 748 Q HN 0.768 nan 8.270 nan 0.000 0.420 749 Q N -0.297 119.464 119.800 -0.064 0.000 2.124 749 Q HA -0.166 4.176 4.340 0.003 0.000 0.202 749 Q C 2.036 178.070 176.000 0.056 0.000 0.977 749 Q CA 1.175 56.947 55.803 -0.050 0.000 0.850 749 Q CB 0.017 28.667 28.738 -0.147 0.000 0.901 749 Q HN 0.450 nan 8.270 nan 0.000 0.429 750 I N 0.431 121.049 120.570 0.080 0.000 2.163 750 I HA -0.272 3.900 4.170 0.003 0.000 0.243 750 I C 1.992 178.202 176.117 0.155 0.000 1.085 750 I CA 1.447 62.854 61.300 0.179 0.000 1.347 750 I CB -1.327 36.639 38.000 -0.056 0.000 1.044 750 I HN 0.226 nan 8.210 nan 0.000 0.408 751 F N 0.789 120.817 119.950 0.129 0.000 2.102 751 F HA -0.161 4.368 4.527 0.003 0.000 0.298 751 F C 2.545 178.407 175.800 0.103 0.000 1.105 751 F CA 1.140 59.141 58.000 0.003 0.000 1.239 751 F CB -0.961 37.970 39.000 -0.115 0.000 0.991 751 F HN -0.054 nan 8.300 nan 0.000 0.474 752 L N -0.542 120.842 121.223 0.269 0.000 1.989 752 L HA -0.286 4.056 4.340 0.003 0.000 0.211 752 L C 2.522 179.474 176.870 0.136 0.000 1.071 752 L CA 1.630 56.586 54.840 0.193 0.000 0.749 752 L CB -0.846 41.253 42.059 0.066 0.000 0.890 752 L HN 0.226 nan 8.230 nan 0.000 0.431 753 Q N -1.000 118.752 119.800 -0.080 0.000 2.167 753 Q HA -0.134 4.208 4.340 0.003 0.000 0.202 753 Q C 0.732 176.376 176.000 -0.593 0.000 0.970 753 Q CA 0.957 56.523 55.803 -0.394 0.000 0.855 753 Q CB 0.198 28.537 28.738 -0.665 0.000 0.911 753 Q HN 0.644 nan 8.270 nan 0.000 0.438 754 H N -1.613 117.513 119.070 0.092 0.000 2.575 754 H HA 0.076 4.634 4.556 0.003 0.000 0.256 754 H C 0.942 176.207 175.328 -0.105 0.000 1.162 754 H CA 0.157 56.201 56.048 -0.008 0.000 0.969 754 H CB 0.123 29.995 29.762 0.184 0.000 1.796 754 H HN 0.461 nan 8.280 nan 0.000 0.607 755 H N -0.146 119.024 119.070 0.167 0.000 2.390 755 H HA -0.185 4.373 4.556 0.003 0.000 0.298 755 H C 2.032 177.488 175.328 0.213 0.000 1.106 755 H CA 1.692 57.920 56.048 0.299 0.000 1.297 755 H CB 0.036 30.050 29.762 0.421 0.000 1.375 755 H HN 0.149 nan 8.280 nan 0.000 0.509 756 Q N 0.435 120.066 119.800 -0.281 0.000 2.030 756 Q HA -0.079 4.263 4.340 0.003 0.000 0.204 756 Q C 2.134 178.072 176.000 -0.103 0.000 0.986 756 Q CA 1.849 57.587 55.803 -0.108 0.000 0.843 756 Q CB -0.147 28.472 28.738 -0.198 0.000 0.904 756 Q HN 0.535 nan 8.270 nan 0.000 0.420 757 I N 0.159 120.624 120.570 -0.174 0.000 2.202 757 I HA -0.219 3.953 4.170 0.003 0.000 0.242 757 I C 2.214 177.971 176.117 -0.600 0.000 1.091 757 I CA 1.189 62.301 61.300 -0.314 0.000 1.368 757 I CB -1.189 36.639 38.000 -0.287 0.000 1.058 757 I HN 0.286 nan 8.210 nan 0.000 0.410 758 I N 0.495 120.755 120.570 -0.518 0.000 2.248 758 I HA -0.356 3.816 4.170 0.003 0.000 0.248 758 I C 2.547 178.545 176.117 -0.199 0.000 1.107 758 I CA 1.247 62.280 61.300 -0.445 0.000 1.373 758 I CB -0.636 37.255 38.000 -0.181 0.000 1.055 758 I HN 0.353 nan 8.210 nan 0.000 0.418 759 Q N 0.673 120.499 119.800 0.043 0.000 2.173 759 Q HA -0.303 4.039 4.340 0.003 0.000 0.208 759 Q C 2.114 178.101 176.000 -0.020 0.000 0.989 759 Q CA 1.767 57.650 55.803 0.133 0.000 0.872 759 Q CB -0.233 28.560 28.738 0.091 0.000 0.909 759 Q HN 0.638 nan 8.270 nan 0.000 0.420 760 Q N -0.915 118.728 119.800 -0.261 0.000 2.508 760 Q HA -0.142 4.200 4.340 0.003 0.000 0.214 760 Q C 0.452 176.469 176.000 0.029 0.000 0.979 760 Q CA 0.878 56.560 55.803 -0.201 0.000 0.911 760 Q CB 0.119 28.666 28.738 -0.318 0.000 0.969 760 Q HN 0.607 nan 8.270 nan 0.000 0.504 761 Y N -1.640 118.736 120.300 0.127 0.000 2.584 761 Y HA 0.168 4.720 4.550 0.003 0.000 0.254 761 Y C 1.736 177.745 175.900 0.183 0.000 1.177 761 Y CA -1.023 57.163 58.100 0.142 0.000 1.216 761 Y CB 0.336 38.886 38.460 0.150 0.000 1.172 761 Y HN 0.088 nan 8.280 nan 0.000 0.529 762 M N 0.083 119.869 119.600 0.311 0.000 2.103 762 M HA -0.262 4.220 4.480 0.003 0.000 0.255 762 M C 2.111 178.565 176.300 0.257 0.000 1.074 762 M CA 1.570 57.056 55.300 0.308 0.000 1.090 762 M CB -0.820 31.912 32.600 0.220 0.000 1.325 762 M HN 0.262 nan 8.290 nan 0.000 0.403 763 V N -0.073 119.960 119.914 0.198 0.000 2.252 763 V HA -0.317 3.805 4.120 0.003 0.000 0.249 763 V C 2.370 178.548 176.094 0.141 0.000 1.056 763 V CA 2.467 64.858 62.300 0.150 0.000 1.022 763 V CB -1.396 30.500 31.823 0.121 0.000 0.641 763 V HN 0.499 nan 8.190 nan 0.000 0.445 764 T N 0.249 114.894 114.554 0.150 0.000 2.708 764 T HA -0.122 4.230 4.350 0.003 0.000 0.266 764 T C 1.908 176.664 174.700 0.094 0.000 1.037 764 T CA 1.539 63.704 62.100 0.108 0.000 1.146 764 T CB -0.307 68.621 68.868 0.099 0.000 0.865 764 T HN 0.268 nan 8.240 nan 0.000 0.435 765 L N 0.538 121.854 121.223 0.157 0.000 2.017 765 L HA -0.076 4.265 4.340 0.003 0.000 0.208 765 L C 2.826 179.633 176.870 -0.104 0.000 1.073 765 L CA 1.512 56.398 54.840 0.077 0.000 0.745 765 L CB -0.439 41.758 42.059 0.230 0.000 0.894 765 L HN 0.347 nan 8.230 nan 0.000 0.432 766 E N -0.226 120.045 120.200 0.118 0.000 2.216 766 E HA -0.148 4.203 4.350 0.003 0.000 0.192 766 E C 1.502 178.162 176.600 0.101 0.000 0.988 766 E CA 0.810 57.325 56.400 0.191 0.000 0.834 766 E CB 0.326 30.232 29.700 0.343 0.000 0.772 766 E HN 0.499 nan 8.360 nan 0.000 0.479 767 N N -0.662 118.081 118.700 0.071 0.000 2.397 767 N HA 0.079 4.820 4.740 0.003 0.000 0.190 767 N C 1.561 177.081 175.510 0.017 0.000 1.099 767 N CA 0.203 53.284 53.050 0.051 0.000 0.876 767 N CB 0.621 39.145 38.487 0.061 0.000 1.143 767 N HN 0.183 nan 8.380 nan 0.000 0.468 768 L N 0.030 121.253 121.223 -0.000 0.000 2.500 768 L HA 0.269 4.611 4.340 0.003 0.000 0.219 768 L C 1.766 178.589 176.870 -0.079 0.000 1.057 768 L CA 0.348 55.173 54.840 -0.025 0.000 0.854 768 L CB 0.168 42.221 42.059 -0.010 0.000 1.078 768 L HN -0.040 nan 8.230 nan 0.000 0.480 769 L N -1.571 119.570 121.223 -0.136 0.000 2.416 769 L HA 0.130 4.472 4.340 0.003 0.000 0.188 769 L C 0.291 176.912 176.870 -0.415 0.000 1.145 769 L CA 0.310 54.969 54.840 -0.302 0.000 0.826 769 L CB -0.070 41.738 42.059 -0.418 0.000 1.064 769 L HN -0.036 nan 8.230 nan 0.000 0.490 770 F N 1.888 121.643 119.950 -0.324 0.000 2.626 770 F HA 0.129 4.658 4.527 0.003 0.000 0.353 770 F C 1.004 176.685 175.800 -0.200 0.000 1.230 770 F CA -0.520 57.279 58.000 -0.334 0.000 1.298 770 F CB -0.416 38.129 39.000 -0.759 0.000 1.670 770 F HN 0.057 nan 8.300 nan 0.000 0.633 771 T N -2.252 112.307 114.554 0.009 0.000 2.897 771 T HA 0.611 4.962 4.350 0.003 0.000 0.278 771 T C 1.380 176.125 174.700 0.075 0.000 0.981 771 T CA -0.349 61.777 62.100 0.043 0.000 0.973 771 T CB 1.669 70.545 68.868 0.013 0.000 1.092 771 T HN 0.288 nan 8.240 nan 0.000 0.543 772 A N 0.683 123.545 122.820 0.071 0.000 1.972 772 A HA -0.079 4.243 4.320 0.003 0.000 0.219 772 A C 2.173 179.793 177.584 0.060 0.000 1.169 772 A CA 1.412 53.491 52.037 0.070 0.000 0.635 772 A CB -0.882 18.152 19.000 0.057 0.000 0.810 772 A HN 0.933 nan 8.150 nan 0.000 0.446 773 E N -0.365 119.863 120.200 0.046 0.000 2.472 773 E HA -0.059 4.293 4.350 0.003 0.000 0.200 773 E C 0.177 176.809 176.600 0.053 0.000 1.046 773 E CA 0.071 56.496 56.400 0.042 0.000 0.871 773 E CB -0.553 29.163 29.700 0.028 0.000 0.806 773 E HN 0.412 nan 8.360 nan 0.000 0.533 774 L N 2.620 123.883 121.223 0.067 0.000 2.436 774 L HA 0.101 4.442 4.340 0.003 0.000 0.265 774 L C 0.463 177.405 176.870 0.121 0.000 1.168 774 L CA -0.097 54.798 54.840 0.092 0.000 0.815 774 L CB 0.853 42.975 42.059 0.105 0.000 1.109 774 L HN -0.062 nan 8.230 nan 0.000 0.462 775 D N 4.725 125.216 120.400 0.152 0.000 2.443 775 D HA -0.004 4.638 4.640 0.003 0.000 0.239 775 D C -1.658 174.752 176.300 0.182 0.000 1.136 775 D CA -0.948 53.158 54.000 0.178 0.000 0.879 775 D CB 1.540 42.486 40.800 0.242 0.000 1.195 775 D HN 0.378 nan 8.370 nan 0.000 0.443 776 P HA -0.174 nan 4.420 nan 0.000 0.219 776 P C 0.772 178.113 177.300 0.068 0.000 1.146 776 P CA 1.381 64.510 63.100 0.049 0.000 0.808 776 P CB 0.076 31.746 31.700 -0.050 0.000 0.779 777 H N -0.635 118.532 119.070 0.162 0.000 2.421 777 H HA 0.000 4.558 4.556 0.003 0.000 0.298 777 H C 2.169 177.638 175.328 0.235 0.000 1.087 777 H CA 1.119 57.292 56.048 0.209 0.000 1.330 777 H CB -0.454 29.470 29.762 0.269 0.000 1.388 777 H HN 0.150 nan 8.280 nan 0.000 0.526 778 I N -0.427 120.365 120.570 0.371 0.000 2.494 778 I HA -0.158 4.014 4.170 0.003 0.000 0.250 778 I C 1.971 178.297 176.117 0.349 0.000 1.112 778 I CA 0.513 62.033 61.300 0.367 0.000 1.438 778 I CB -0.081 38.142 38.000 0.372 0.000 1.111 778 I HN 0.204 nan 8.210 nan 0.000 0.431 779 L N 0.995 122.398 121.223 0.301 0.000 2.042 779 L HA -0.248 4.094 4.340 0.003 0.000 0.210 779 L C 2.931 179.905 176.870 0.174 0.000 1.076 779 L CA 1.497 56.504 54.840 0.279 0.000 0.749 779 L CB -0.581 41.606 42.059 0.212 0.000 0.893 779 L HN 0.270 nan 8.230 nan 0.000 0.432 780 A N -0.240 122.653 122.820 0.121 0.000 1.915 780 A HA -0.248 4.074 4.320 0.003 0.000 0.220 780 A C 2.247 179.831 177.584 -0.000 0.000 1.198 780 A CA 2.397 54.463 52.037 0.049 0.000 0.647 780 A CB -1.048 17.988 19.000 0.059 0.000 0.825 780 A HN 0.270 nan 8.150 nan 0.000 0.456 781 V N -1.313 118.622 119.914 0.034 0.000 2.332 781 V HA -0.254 3.868 4.120 0.003 0.000 0.248 781 V C 2.275 178.195 176.094 -0.291 0.000 1.055 781 V CA 2.200 64.469 62.300 -0.053 0.000 1.038 781 V CB -1.027 30.836 31.823 0.068 0.000 0.651 781 V HN 0.623 nan 8.190 nan 0.000 0.450 782 F N 1.269 120.920 119.950 -0.497 0.000 2.075 782 F HA -0.197 4.331 4.527 0.003 0.000 0.297 782 F C 2.548 178.107 175.800 -0.402 0.000 1.113 782 F CA 1.947 59.493 58.000 -0.756 0.000 1.218 782 F CB -0.564 38.001 39.000 -0.725 0.000 0.984 782 F HN 0.172 nan 8.300 nan 0.000 0.472 783 Q N -0.249 119.342 119.800 -0.348 0.000 2.181 783 Q HA -0.259 4.083 4.340 0.003 0.000 0.205 783 Q C 2.152 177.944 176.000 -0.346 0.000 0.980 783 Q CA 1.896 57.475 55.803 -0.374 0.000 0.862 783 Q CB -0.383 28.265 28.738 -0.149 0.000 0.905 783 Q HN 0.602 nan 8.270 nan 0.000 0.429 784 Q N -0.096 119.547 119.800 -0.262 0.000 2.084 784 Q HA -0.176 4.165 4.340 0.003 0.000 0.202 784 Q C 1.850 177.703 176.000 -0.245 0.000 0.978 784 Q CA 1.446 57.134 55.803 -0.192 0.000 0.844 784 Q CB -0.241 28.420 28.738 -0.129 0.000 0.898 784 Q HN 0.354 nan 8.270 nan 0.000 0.426 785 F N 0.658 120.292 119.950 -0.526 0.000 2.095 785 F HA -0.252 4.277 4.527 0.003 0.000 0.298 785 F C 1.924 177.445 175.800 -0.466 0.000 1.104 785 F CA 1.148 58.816 58.000 -0.553 0.000 1.232 785 F CB -0.644 37.753 39.000 -1.006 0.000 0.987 785 F HN 0.061 nan 8.300 nan 0.000 0.475 786 C N 0.947 119.662 119.300 -0.974 0.000 2.422 786 C HA -0.021 4.440 4.460 0.003 0.000 0.279 786 C C 3.114 177.749 174.990 -0.591 0.000 1.305 786 C CA 1.017 59.482 59.018 -0.921 0.000 1.757 786 C CB -2.074 25.211 27.740 -0.758 0.000 1.962 786 C HN 0.637 nan 8.230 nan 0.000 0.499 787 A N 0.193 122.757 122.820 -0.427 0.000 2.172 787 A HA 0.023 4.345 4.320 0.003 0.000 0.216 787 A C 2.006 179.398 177.584 -0.321 0.000 1.154 787 A CA 0.961 52.835 52.037 -0.272 0.000 0.701 787 A CB -0.503 18.440 19.000 -0.096 0.000 0.789 787 A HN 0.671 nan 8.150 nan 0.000 0.465 788 L N -1.304 119.684 121.223 -0.391 0.000 2.141 788 L HA -0.089 4.253 4.340 0.003 0.000 0.209 788 L C 1.125 177.788 176.870 -0.345 0.000 1.094 788 L CA 0.826 55.441 54.840 -0.375 0.000 0.763 788 L CB -0.161 41.672 42.059 -0.377 0.000 0.908 788 L HN 0.376 nan 8.230 nan 0.000 0.437 789 Q N -0.457 119.135 119.800 -0.346 0.000 2.333 789 Q HA 0.432 4.774 4.340 0.003 0.000 0.365 789 Q C -0.340 175.535 176.000 -0.208 0.000 0.882 789 Q CA -0.003 55.660 55.803 -0.233 0.000 1.124 789 Q CB 1.423 30.044 28.738 -0.195 0.000 1.345 789 Q HN 0.244 nan 8.270 nan 0.000 0.409 790 A N 0.000 122.683 122.820 -0.228 0.000 2.254 790 A HA 0.000 4.322 4.320 0.003 0.000 0.244 790 A CA 0.000 51.922 52.037 -0.192 0.000 0.836 790 A CB 0.000 18.880 19.000 -0.201 0.000 0.831 790 A HN 0.000 nan 8.150 nan 0.000 0.486