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 1p8j_1_H DATA FIRST_RESID 110 DATA SEQUENCE YQEPTDPKFP QQWYLSGVTQ RDLNVKEAWA QGFTGHGIVV SILDDGIEKN DATA SEQUENCE HPDLAGNYDP GASFDVNDQD PDPQPRYTQM NDNRHGTRCA GEVAAVANNG DATA SEQUENCE VcGVGVAYNA RIGGVRMLDG EVTDAVEARS LGLNPNHIHI YSASWGPEDD DATA SEQUENCE GKTVDGPARL AEEAFFRGVS QGRGGLGSIF VWASGNGGRE HDScNCDGYT DATA SEQUENCE NSIYTLSISS ATQFGNVPWY SEAcSSTLAT TYSSGNQNEK QIVTTDLRQK DATA SEQUENCE cTESHTGTSA SAPLAAGIIA LTLEANKNLT WRDMQHLVVQ TSKPAHLNAD DATA SEQUENCE DWATNGVGRK VSHSYGYGLL DAGAMVALAQ NWTTVAPQRK cIVEILVEPK DATA SEQUENCE DIGKRLEVRK AVTAcLGEPN HITRLEHVQA RLTLSYNRRG DLAIHLISPM DATA SEQUENCE GTRSTLLAAR PHDYSADGFN DWAFMTTHSW DEDPAGEWVL EIENTSEANN DATA SEQUENCE YGTLTKFTLV LYGTAP 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 110 Y HA 0.000 nan 4.550 nan 0.000 0.201 110 Y C 0.000 175.925 175.900 0.041 0.000 1.272 110 Y CA 0.000 58.126 58.100 0.043 0.000 1.940 110 Y CB 0.000 38.505 38.460 0.076 0.000 1.050 111 Q N 5.381 124.685 119.800 -0.826 0.000 2.368 111 Q HA 0.214 4.554 4.340 0.000 0.000 0.256 111 Q C -0.496 174.925 176.000 -0.965 0.000 0.980 111 Q CA -0.489 54.910 55.803 -0.673 0.000 0.887 111 Q CB 1.319 29.842 28.738 -0.358 0.000 1.221 111 Q HN 0.872 nan 8.270 nan 0.000 0.458 112 E N 3.934 123.760 120.200 -0.623 0.000 2.404 112 E HA 0.259 4.609 4.350 0.000 0.000 0.261 112 E C -2.093 174.233 176.600 -0.457 0.000 1.074 112 E CA -1.670 54.505 56.400 -0.374 0.000 0.917 112 E CB 0.130 29.850 29.700 0.033 0.000 0.965 112 E HN 0.198 nan 8.360 nan 0.000 0.433 113 P HA -0.122 nan 4.420 nan 0.000 0.264 113 P C 0.192 177.229 177.300 -0.439 0.000 1.173 113 P CA 0.667 63.318 63.100 -0.748 0.000 0.761 113 P CB 0.461 31.475 31.700 -1.142 0.000 0.794 114 T N -2.229 112.155 114.554 -0.284 0.000 3.069 114 T HA 0.129 4.479 4.350 0.000 0.000 0.252 114 T C 0.059 174.722 174.700 -0.062 0.000 1.053 114 T CA -0.361 61.662 62.100 -0.127 0.000 0.964 114 T CB -0.674 68.123 68.868 -0.119 0.000 1.005 114 T HN 0.208 nan 8.240 nan 0.000 0.532 115 D N 4.450 124.799 120.400 -0.085 0.000 2.525 115 D HA 0.083 4.723 4.640 0.000 0.000 0.235 115 D C -1.004 175.338 176.300 0.070 0.000 1.137 115 D CA -1.034 52.959 54.000 -0.012 0.000 0.868 115 D CB 0.818 41.609 40.800 -0.015 0.000 1.180 115 D HN 0.129 nan 8.370 nan 0.000 0.465 116 P HA -0.234 nan 4.420 nan 0.000 0.217 116 P C 0.658 178.010 177.300 0.086 0.000 1.151 116 P CA 1.391 64.529 63.100 0.063 0.000 0.849 116 P CB 0.296 32.023 31.700 0.045 0.000 0.787 117 K N -1.896 118.566 120.400 0.104 0.000 2.374 117 K HA 0.103 4.423 4.320 0.000 0.000 0.196 117 K C 1.641 178.312 176.600 0.118 0.000 1.023 117 K CA -0.335 56.013 56.287 0.103 0.000 1.103 117 K CB -0.814 31.747 32.500 0.101 0.000 0.848 117 K HN 0.114 nan 8.250 nan 0.000 0.528 118 F N 3.279 123.236 119.950 0.012 0.000 2.120 118 F HA -0.110 4.418 4.527 0.000 0.000 0.300 118 F C -1.094 174.708 175.800 0.003 0.000 1.095 118 F CA 0.806 58.810 58.000 0.008 0.000 1.249 118 F CB -0.950 38.057 39.000 0.013 0.000 0.995 118 F HN 0.021 nan 8.300 nan 0.000 0.480 119 P HA -0.173 nan 4.420 nan 0.000 0.218 119 P C 1.173 178.369 177.300 -0.173 0.000 1.148 119 P CA 1.619 64.606 63.100 -0.189 0.000 0.822 119 P CB -0.053 31.634 31.700 -0.021 0.000 0.784 120 Q N -0.973 118.780 119.800 -0.079 0.000 2.435 120 Q HA -0.023 4.317 4.340 0.000 0.000 0.207 120 Q C 0.849 176.839 176.000 -0.017 0.000 0.956 120 Q CA 0.736 56.549 55.803 0.017 0.000 0.917 120 Q CB -0.597 28.190 28.738 0.081 0.000 0.997 120 Q HN 0.430 nan 8.270 nan 0.000 0.497 121 Q N 0.587 120.201 119.800 -0.310 0.000 3.254 121 Q HA -0.018 4.322 4.340 0.000 0.000 0.315 121 Q C 0.260 175.660 176.000 -1.001 0.000 1.405 121 Q CA -0.341 54.988 55.803 -0.790 0.000 0.966 121 Q CB -0.300 28.030 28.738 -0.681 0.000 1.706 121 Q HN 0.559 nan 8.270 nan 0.000 0.525 122 W N 0.417 121.412 121.300 -0.508 0.000 2.321 122 W HA -0.309 4.351 4.660 0.000 0.000 0.285 122 W C 0.662 176.984 176.519 -0.327 0.000 1.213 122 W CA 0.979 58.123 57.345 -0.335 0.000 1.205 122 W CB -1.081 28.286 29.460 -0.154 0.000 1.134 122 W HN 0.529 nan 8.180 nan 0.000 0.549 123 Y N -0.702 119.039 120.300 -0.932 0.000 2.516 123 Y HA 0.199 4.750 4.550 0.000 0.000 0.291 123 Y C 2.348 178.070 175.900 -0.296 0.000 1.131 123 Y CA 0.568 58.211 58.100 -0.763 0.000 1.281 123 Y CB -1.316 36.481 38.460 -1.104 0.000 1.013 123 Y HN -0.113 nan 8.280 nan 0.000 0.554 124 L N -0.791 120.101 121.223 -0.551 0.000 2.121 124 L HA 0.126 4.466 4.340 0.000 0.000 0.200 124 L C 0.758 177.520 176.870 -0.179 0.000 1.077 124 L CA 0.728 55.420 54.840 -0.246 0.000 0.766 124 L CB -0.135 41.855 42.059 -0.115 0.000 0.931 124 L HN 0.126 nan 8.230 nan 0.000 0.452 125 S N -1.032 114.542 115.700 -0.210 0.000 2.672 125 S HA 0.587 5.057 4.470 0.000 0.000 0.291 125 S C 0.194 174.718 174.600 -0.128 0.000 1.145 125 S CA -0.299 57.849 58.200 -0.087 0.000 1.013 125 S CB 1.673 64.933 63.200 0.100 0.000 1.017 125 S HN 0.287 nan 8.310 nan 0.000 0.487 126 G N 1.512 110.285 108.800 -0.046 0.000 2.727 126 G HA2 0.296 4.256 3.960 0.000 0.000 0.207 126 G HA3 0.296 4.256 3.960 0.000 0.000 0.207 126 G C 0.361 175.261 174.900 -0.001 0.000 1.060 126 G CA 0.369 45.457 45.100 -0.020 0.000 0.814 126 G HN 1.341 nan 8.290 nan 0.000 0.576 127 V N 0.807 120.728 119.914 0.012 0.000 5.497 127 V HA -0.214 3.906 4.120 0.000 0.000 0.307 127 V C 1.085 177.184 176.094 0.008 0.000 0.438 127 V CA 1.697 64.007 62.300 0.018 0.000 0.707 127 V CB -2.657 29.178 31.823 0.019 0.000 0.502 127 V HN 0.427 nan 8.190 nan 0.000 1.344 128 T N -1.962 112.594 114.554 0.004 0.000 3.186 128 T HA 0.162 4.513 4.350 0.000 0.000 0.292 128 T C 0.867 175.556 174.700 -0.019 0.000 0.915 128 T CA 0.594 62.684 62.100 -0.016 0.000 0.902 128 T CB 0.629 69.479 68.868 -0.031 0.000 1.192 128 T HN 0.692 nan 8.240 nan 0.000 0.563 129 Q N 0.634 120.444 119.800 0.016 0.000 2.362 129 Q HA -0.233 4.107 4.340 0.000 0.000 0.220 129 Q C 0.307 176.347 176.000 0.067 0.000 0.713 129 Q CA 0.989 56.820 55.803 0.047 0.000 1.345 129 Q CB -0.629 28.149 28.738 0.066 0.000 1.570 129 Q HN 0.192 nan 8.270 nan 0.000 0.701 130 R N 1.600 122.118 120.500 0.029 0.000 4.141 130 R HA 0.202 4.542 4.340 0.000 0.000 0.281 130 R C -1.009 175.392 176.300 0.169 0.000 1.608 130 R CA 0.676 56.824 56.100 0.080 0.000 1.426 130 R CB 0.238 30.520 30.300 -0.030 0.000 1.432 130 R HN 0.450 nan 8.270 nan 0.000 0.708 131 D N -2.970 117.575 120.400 0.242 0.000 2.798 131 D HA 0.103 4.743 4.640 0.000 0.000 0.308 131 D C 0.395 176.872 176.300 0.295 0.000 1.187 131 D CA -0.824 53.335 54.000 0.266 0.000 1.033 131 D CB 0.406 41.242 40.800 0.060 0.000 1.445 131 D HN -0.075 nan 8.370 nan 0.000 0.550 132 L N -0.874 120.465 121.223 0.194 0.000 2.599 132 L HA 0.169 4.509 4.340 0.000 0.000 0.230 132 L C 0.386 177.246 176.870 -0.016 0.000 1.141 132 L CA 0.206 55.096 54.840 0.084 0.000 0.877 132 L CB -1.092 41.006 42.059 0.065 0.000 1.009 132 L HN 0.561 nan 8.230 nan 0.000 0.447 133 N N -0.348 118.333 118.700 -0.031 0.000 2.738 133 N HA -0.171 4.569 4.740 0.000 0.000 0.249 133 N C 0.774 176.172 175.510 -0.187 0.000 1.047 133 N CA 0.767 53.769 53.050 -0.080 0.000 0.707 133 N CB -0.935 37.528 38.487 -0.040 0.000 0.937 133 N HN 0.269 nan 8.380 nan 0.000 0.545 134 V N -2.973 116.745 119.914 -0.326 0.000 2.649 134 V HA 0.049 4.169 4.120 0.000 0.000 0.248 134 V C 2.156 177.719 176.094 -0.886 0.000 1.054 134 V CA 1.537 63.463 62.300 -0.623 0.000 1.073 134 V CB -0.341 30.991 31.823 -0.819 0.000 0.699 134 V HN 0.324 nan 8.190 nan 0.000 0.463 135 K N 0.417 120.436 120.400 -0.636 0.000 2.113 135 K HA -0.260 4.060 4.320 0.000 0.000 0.208 135 K C 2.279 178.797 176.600 -0.137 0.000 1.047 135 K CA 2.210 58.343 56.287 -0.255 0.000 0.928 135 K CB -0.188 32.364 32.500 0.087 0.000 0.716 135 K HN 0.687 nan 8.250 nan 0.000 0.446 136 E N -0.198 119.920 120.200 -0.136 0.000 2.110 136 E HA -0.190 4.160 4.350 0.000 0.000 0.193 136 E C 1.753 178.309 176.600 -0.072 0.000 0.988 136 E CA 1.010 57.367 56.400 -0.070 0.000 0.804 136 E CB 0.031 29.701 29.700 -0.050 0.000 0.745 136 E HN 0.356 nan 8.360 nan 0.000 0.458 137 A N 0.403 123.150 122.820 -0.121 0.000 1.898 137 A HA -0.132 4.188 4.320 0.000 0.000 0.214 137 A C 1.693 179.323 177.584 0.077 0.000 1.183 137 A CA 0.796 52.836 52.037 0.005 0.000 0.622 137 A CB -0.723 18.244 19.000 -0.055 0.000 0.824 137 A HN 0.379 nan 8.150 nan 0.000 0.444 138 W N -0.045 121.145 121.300 -0.183 0.000 2.358 138 W HA -0.073 4.587 4.660 0.000 0.000 0.303 138 W C 2.785 178.864 176.519 -0.733 0.000 1.208 138 W CA 0.763 57.871 57.345 -0.394 0.000 1.274 138 W CB -1.338 27.902 29.460 -0.367 0.000 1.138 138 W HN 0.434 nan 8.180 nan 0.000 0.515 139 A N 0.363 122.844 122.820 -0.564 0.000 1.940 139 A HA -0.240 4.080 4.320 0.000 0.000 0.219 139 A C 1.889 179.330 177.584 -0.239 0.000 1.176 139 A CA 1.675 53.399 52.037 -0.521 0.000 0.631 139 A CB -0.925 17.971 19.000 -0.173 0.000 0.814 139 A HN 0.445 nan 8.150 nan 0.000 0.446 140 Q N -1.554 118.146 119.800 -0.167 0.000 2.515 140 Q HA 0.198 4.538 4.340 0.000 0.000 0.212 140 Q C 1.036 176.734 176.000 -0.503 0.000 0.970 140 Q CA 0.406 56.093 55.803 -0.192 0.000 0.941 140 Q CB -0.086 28.656 28.738 0.006 0.000 0.998 140 Q HN 0.942 nan 8.270 nan 0.000 0.518 141 G N 0.606 109.158 108.800 -0.414 0.000 2.141 141 G HA2 -0.232 3.728 3.960 0.000 0.000 0.231 141 G HA3 -0.232 3.728 3.960 0.000 0.000 0.231 141 G C -0.411 174.189 174.900 -0.500 0.000 0.984 141 G CA -0.454 44.379 45.100 -0.446 0.000 0.660 141 G HN 0.234 nan 8.290 nan 0.000 0.525 142 F N 1.601 121.557 119.950 0.010 0.000 2.361 142 F HA 0.601 5.128 4.527 0.000 0.000 0.364 142 F C 1.158 176.980 175.800 0.037 0.000 1.117 142 F CA -0.236 57.776 58.000 0.019 0.000 1.071 142 F CB 1.940 40.940 39.000 -0.001 0.000 1.188 142 F HN 0.136 nan 8.300 nan 0.000 0.464 143 T N -1.987 112.624 114.554 0.095 0.000 3.144 143 T HA 0.444 4.794 4.350 0.000 0.000 0.290 143 T C 1.100 175.663 174.700 -0.228 0.000 0.966 143 T CA 0.172 62.133 62.100 -0.232 0.000 0.907 143 T CB 0.298 68.763 68.868 -0.672 0.000 1.152 143 T HN 0.960 nan 8.240 nan 0.000 0.532 144 G N 1.116 109.887 108.800 -0.049 0.000 2.179 144 G HA2 -0.202 3.758 3.960 0.000 0.000 0.220 144 G HA3 -0.202 3.758 3.960 0.000 0.000 0.220 144 G C -0.120 174.749 174.900 -0.051 0.000 0.990 144 G CA -0.347 44.714 45.100 -0.065 0.000 0.646 144 G HN 0.752 nan 8.290 nan 0.000 0.517 145 H N -0.088 118.976 119.070 -0.010 0.000 3.094 145 H HA 0.348 4.904 4.556 0.000 0.000 0.320 145 H C 1.663 176.988 175.328 -0.004 0.000 1.000 145 H CA 2.173 58.222 56.048 0.001 0.000 1.413 145 H CB 0.689 30.457 29.762 0.010 0.000 1.405 145 H HN 1.295 nan 8.280 nan 0.000 0.586 146 G N 3.038 111.918 108.800 0.133 0.000 2.184 146 G HA2 -0.257 3.704 3.960 0.000 0.000 0.264 146 G HA3 -0.257 3.704 3.960 0.000 0.000 0.264 146 G C 0.029 174.944 174.900 0.026 0.000 0.975 146 G CA 0.184 45.331 45.100 0.078 0.000 0.642 146 G HN 0.443 nan 8.290 nan 0.000 0.536 147 I N 0.972 121.531 120.570 -0.019 0.000 2.392 147 I HA 0.577 4.748 4.170 0.000 0.000 0.295 147 I C 0.440 176.604 176.117 0.078 0.000 0.985 147 I CA -1.328 59.933 61.300 -0.065 0.000 1.221 147 I CB 1.544 39.458 38.000 -0.142 0.000 1.366 147 I HN -0.115 nan 8.210 nan 0.000 0.467 148 V N 6.680 126.766 119.914 0.285 0.000 2.448 148 V HA 0.518 4.638 4.120 0.000 0.000 0.295 148 V C -0.018 176.032 176.094 -0.074 0.000 1.025 148 V CA -0.669 61.611 62.300 -0.033 0.000 0.859 148 V CB 2.268 33.859 31.823 -0.385 0.000 0.988 148 V HN 0.458 nan 8.190 nan 0.000 0.431 149 V N 3.339 123.196 119.914 -0.095 0.000 2.604 149 V HA 0.634 4.754 4.120 0.000 0.000 0.305 149 V C -0.101 175.924 176.094 -0.116 0.000 1.043 149 V CA -0.374 61.860 62.300 -0.110 0.000 0.888 149 V CB 2.166 33.962 31.823 -0.046 0.000 0.995 149 V HN 0.837 nan 8.190 nan 0.000 0.429 150 S N 4.347 119.952 115.700 -0.157 0.000 2.502 150 S HA 0.688 5.158 4.470 0.000 0.000 0.304 150 S C -0.862 173.758 174.600 0.033 0.000 1.097 150 S CA -0.614 57.545 58.200 -0.069 0.000 1.045 150 S CB 0.872 63.998 63.200 -0.123 0.000 1.019 150 S HN 0.485 nan 8.310 nan 0.000 0.481 151 I N 5.562 126.177 120.570 0.075 0.000 2.304 151 I HA 0.293 4.463 4.170 0.000 0.000 0.291 151 I C -0.351 175.860 176.117 0.157 0.000 1.018 151 I CA -0.425 60.935 61.300 0.100 0.000 1.260 151 I CB 0.919 38.966 38.000 0.078 0.000 1.390 151 I HN 0.592 nan 8.210 nan 0.000 0.475 152 L N 6.400 127.749 121.223 0.212 0.000 2.282 152 L HA 0.377 4.717 4.340 0.000 0.000 0.287 152 L C 0.311 177.370 176.870 0.314 0.000 1.075 152 L CA 0.230 55.243 54.840 0.289 0.000 0.839 152 L CB 0.533 42.845 42.059 0.421 0.000 1.219 152 L HN 0.633 nan 8.230 nan 0.000 0.434 153 D N 0.928 121.418 120.400 0.150 0.000 4.378 153 D HA 0.008 4.648 4.640 0.000 0.000 0.318 153 D C -0.573 175.715 176.300 -0.020 0.000 1.651 153 D CA -0.147 53.908 54.000 0.092 0.000 0.976 153 D CB 0.981 41.900 40.800 0.198 0.000 1.451 153 D HN 0.540 nan 8.370 nan 0.000 0.665 154 D N 0.176 120.578 120.400 0.004 0.000 2.358 154 D HA 0.423 5.063 4.640 0.000 0.000 0.224 154 D C 0.836 177.116 176.300 -0.033 0.000 1.123 154 D CA 0.271 54.247 54.000 -0.041 0.000 0.833 154 D CB 0.449 41.221 40.800 -0.046 0.000 0.946 154 D HN 0.701 nan 8.370 nan 0.000 0.505 155 G N -0.268 108.533 108.800 0.001 0.000 2.497 155 G HA2 0.042 4.002 3.960 0.000 0.000 0.686 155 G HA3 0.042 4.002 3.960 0.000 0.000 0.686 155 G C -1.574 173.332 174.900 0.009 0.000 1.288 155 G CA -0.590 44.510 45.100 0.001 0.000 0.899 155 G HN 0.425 nan 8.290 nan 0.000 0.608 156 I N -0.263 120.320 120.570 0.021 0.000 2.569 156 I HA 0.561 4.731 4.170 0.000 0.000 0.290 156 I C 0.138 176.254 176.117 -0.002 0.000 1.088 156 I CA -0.803 60.514 61.300 0.028 0.000 1.047 156 I CB 1.784 39.844 38.000 0.099 0.000 1.237 156 I HN 0.714 nan 8.210 nan 0.000 0.421 157 E N 7.373 127.579 120.200 0.011 0.000 1.775 157 E HA 0.019 4.369 4.350 0.000 0.000 0.266 157 E C 1.010 177.601 176.600 -0.015 0.000 1.191 157 E CA -0.147 56.284 56.400 0.051 0.000 1.048 157 E CB 0.465 30.260 29.700 0.159 0.000 1.081 157 E HN 0.616 nan 8.360 nan 0.000 0.434 158 K N 2.091 122.373 120.400 -0.196 0.000 2.281 158 K HA -0.166 4.154 4.320 0.000 0.000 0.203 158 K C 0.468 176.885 176.600 -0.305 0.000 1.046 158 K CA 1.331 57.302 56.287 -0.525 0.000 0.938 158 K CB 0.010 31.721 32.500 -1.315 0.000 0.737 158 K HN 0.176 nan 8.250 nan 0.000 0.458 159 N N 0.729 119.345 118.700 -0.142 0.000 2.276 159 N HA -0.000 4.740 4.740 0.000 0.000 0.212 159 N C -0.778 174.727 175.510 -0.008 0.000 1.127 159 N CA -0.150 52.857 53.050 -0.073 0.000 0.834 159 N CB 0.124 38.564 38.487 -0.077 0.000 1.014 159 N HN 0.258 nan 8.380 nan 0.000 0.491 160 H N 2.085 121.131 119.070 -0.041 0.000 2.886 160 H HA 0.046 4.602 4.556 0.000 0.000 0.329 160 H C -1.399 173.926 175.328 -0.004 0.000 1.044 160 H CA -1.208 54.835 56.048 -0.009 0.000 1.456 160 H CB 1.281 31.045 29.762 0.003 0.000 1.464 160 H HN 0.101 nan 8.280 nan 0.000 0.573 161 P HA -0.162 nan 4.420 nan 0.000 0.220 161 P C 0.567 177.966 177.300 0.165 0.000 1.144 161 P CA 1.261 64.375 63.100 0.024 0.000 0.800 161 P CB 0.471 32.125 31.700 -0.076 0.000 0.772 162 D N -1.883 118.766 120.400 0.414 0.000 2.395 162 D HA 0.175 4.815 4.640 0.000 0.000 0.213 162 D C 1.535 177.906 176.300 0.118 0.000 1.110 162 D CA 0.118 54.242 54.000 0.207 0.000 0.835 162 D CB -0.005 40.894 40.800 0.165 0.000 0.965 162 D HN 0.115 nan 8.370 nan 0.000 0.505 163 L N -1.032 120.283 121.223 0.152 0.000 2.730 163 L HA 0.355 4.695 4.340 0.000 0.000 0.236 163 L C 2.270 179.223 176.870 0.137 0.000 1.061 163 L CA 0.403 55.307 54.840 0.108 0.000 0.898 163 L CB -0.161 41.947 42.059 0.081 0.000 1.270 163 L HN -0.083 nan 8.230 nan 0.000 0.500 164 A N 1.148 124.040 122.820 0.121 0.000 1.915 164 A HA -0.243 4.077 4.320 0.000 0.000 0.220 164 A C 2.262 179.926 177.584 0.133 0.000 1.198 164 A CA 2.325 54.428 52.037 0.110 0.000 0.647 164 A CB -1.376 17.659 19.000 0.058 0.000 0.825 164 A HN 0.444 nan 8.150 nan 0.000 0.456 165 G N -0.853 108.005 108.800 0.096 0.000 2.450 165 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 165 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 165 G C 1.204 176.155 174.900 0.085 0.000 1.130 165 G CA 1.172 46.318 45.100 0.076 0.000 0.760 165 G HN 0.573 nan 8.290 nan 0.000 0.557 166 N N -1.213 117.547 118.700 0.100 0.000 2.205 166 N HA 0.090 4.830 4.740 0.000 0.000 0.201 166 N C -0.179 175.396 175.510 0.108 0.000 1.128 166 N CA -0.559 52.540 53.050 0.082 0.000 0.867 166 N CB 0.269 38.791 38.487 0.058 0.000 0.996 166 N HN 0.364 nan 8.380 nan 0.000 0.503 167 Y N 2.389 122.711 120.300 0.038 0.000 2.712 167 Y HA 0.036 4.586 4.550 0.000 0.000 0.333 167 Y C -0.097 175.833 175.900 0.051 0.000 1.225 167 Y CA 0.053 58.179 58.100 0.043 0.000 1.499 167 Y CB 0.389 38.875 38.460 0.044 0.000 1.288 167 Y HN -0.088 nan 8.280 nan 0.000 0.575 168 D N 7.881 127.783 120.400 -0.831 0.000 2.473 168 D HA 0.319 4.959 4.640 0.000 0.000 0.253 168 D C -2.345 173.482 176.300 -0.789 0.000 1.233 168 D CA -2.473 51.184 54.000 -0.572 0.000 0.908 168 D CB 1.989 42.683 40.800 -0.177 0.000 1.170 168 D HN 0.260 nan 8.370 nan 0.000 0.558 169 P HA 0.005 nan 4.420 nan 0.000 0.219 169 P C 1.313 178.541 177.300 -0.119 0.000 1.146 169 P CA 0.886 63.834 63.100 -0.254 0.000 0.808 169 P CB 0.352 32.036 31.700 -0.027 0.000 0.779 170 G N -0.287 108.426 108.800 -0.145 0.000 2.534 170 G HA2 -0.076 3.884 3.960 0.000 0.000 0.217 170 G HA3 -0.076 3.884 3.960 0.000 0.000 0.217 170 G C 1.228 176.139 174.900 0.017 0.000 1.128 170 G CA 0.645 45.640 45.100 -0.175 0.000 0.784 170 G HN 0.368 nan 8.290 nan 0.000 0.542 171 A N -0.233 122.617 122.820 0.049 0.000 2.500 171 A HA 0.677 4.997 4.320 0.000 0.000 0.267 171 A C 0.653 178.271 177.584 0.057 0.000 1.290 171 A CA -0.035 52.040 52.037 0.064 0.000 0.928 171 A CB 0.352 19.343 19.000 -0.015 0.000 1.066 171 A HN 0.156 nan 8.150 nan 0.000 0.516 172 S N -1.210 114.540 115.700 0.084 0.000 2.599 172 S HA 0.888 5.359 4.470 0.000 0.000 0.287 172 S C -1.150 173.623 174.600 0.288 0.000 1.105 172 S CA -0.432 57.869 58.200 0.168 0.000 0.899 172 S CB 1.733 65.043 63.200 0.183 0.000 1.100 172 S HN 0.477 nan 8.310 nan 0.000 0.482 173 F N 1.012 121.013 119.950 0.086 0.000 2.793 173 F HA 0.285 4.812 4.527 0.000 0.000 0.316 173 F C -2.186 173.649 175.800 0.059 0.000 1.147 173 F CA -0.577 57.464 58.000 0.068 0.000 0.930 173 F CB 1.278 40.312 39.000 0.057 0.000 1.277 173 F HN 0.553 nan 8.300 nan 0.000 0.443 174 D N 3.155 123.366 120.400 -0.316 0.000 2.464 174 D HA 0.378 5.018 4.640 0.000 0.000 0.243 174 D C 0.377 176.750 176.300 0.122 0.000 1.104 174 D CA -0.056 53.893 54.000 -0.085 0.000 0.883 174 D CB 1.535 42.219 40.800 -0.193 0.000 1.050 174 D HN 0.284 nan 8.370 nan 0.000 0.524 175 V N 3.834 123.922 119.914 0.290 0.000 2.667 175 V HA -0.128 3.992 4.120 0.000 0.000 0.252 175 V C 2.049 178.216 176.094 0.122 0.000 1.065 175 V CA 1.224 63.688 62.300 0.273 0.000 1.083 175 V CB -0.611 31.314 31.823 0.169 0.000 0.692 175 V HN 0.556 nan 8.190 nan 0.000 0.468 176 N N 0.241 118.974 118.700 0.054 0.000 2.166 176 N HA -0.151 4.589 4.740 0.000 0.000 0.186 176 N C 0.898 176.417 175.510 0.014 0.000 1.019 176 N CA 1.351 54.408 53.050 0.011 0.000 0.856 176 N CB -0.000 38.475 38.487 -0.020 0.000 0.993 176 N HN 0.401 nan 8.380 nan 0.000 0.426 177 D N -0.017 120.389 120.400 0.010 0.000 2.395 177 D HA 0.038 4.678 4.640 0.000 0.000 0.213 177 D C -0.232 176.076 176.300 0.013 0.000 1.110 177 D CA 0.115 54.114 54.000 -0.003 0.000 0.835 177 D CB 0.232 41.012 40.800 -0.034 0.000 0.965 177 D HN -0.082 nan 8.370 nan 0.000 0.505 178 Q N 1.463 121.312 119.800 0.082 0.000 2.443 178 Q HA -0.201 4.139 4.340 0.000 0.000 0.337 178 Q C -0.928 175.101 176.000 0.049 0.000 1.401 178 Q CA 0.940 56.852 55.803 0.180 0.000 0.943 178 Q CB -1.129 27.690 28.738 0.135 0.000 1.177 178 Q HN 0.456 nan 8.270 nan 0.000 0.394 179 D N -1.330 118.917 120.400 -0.255 0.000 2.602 179 D HA 0.317 4.957 4.640 0.000 0.000 0.236 179 D C -2.344 173.311 176.300 -1.074 0.000 1.209 179 D CA -1.594 52.151 54.000 -0.425 0.000 0.831 179 D CB 1.843 42.511 40.800 -0.220 0.000 1.478 179 D HN -0.145 nan 8.370 nan 0.000 0.438 180 P HA 0.030 nan 4.420 nan 0.000 0.222 180 P C -0.159 176.940 177.300 -0.335 0.000 1.153 180 P CA 0.540 63.255 63.100 -0.642 0.000 0.798 180 P CB 0.222 31.820 31.700 -0.169 0.000 0.796 181 D N 0.636 120.896 120.400 -0.233 0.000 2.325 181 D HA 0.042 4.682 4.640 0.000 0.000 0.251 181 D C -1.588 174.658 176.300 -0.090 0.000 1.196 181 D CA -2.255 51.685 54.000 -0.099 0.000 0.866 181 D CB 0.597 41.355 40.800 -0.071 0.000 1.101 181 D HN 0.143 nan 8.370 nan 0.000 0.476 182 P HA 0.009 nan 4.420 nan 0.000 0.257 182 P C 0.093 177.393 177.300 0.001 0.000 1.325 182 P CA -0.190 62.918 63.100 0.013 0.000 0.850 182 P CB 0.267 32.029 31.700 0.102 0.000 1.324 183 Q N 3.063 122.856 119.800 -0.012 0.000 2.283 183 Q HA 0.085 4.425 4.340 0.000 0.000 0.301 183 Q C -1.967 174.025 176.000 -0.014 0.000 1.063 183 Q CA -1.182 54.627 55.803 0.009 0.000 0.952 183 Q CB -0.055 28.711 28.738 0.047 0.000 1.166 183 Q HN 0.229 nan 8.270 nan 0.000 0.381 184 P HA 0.059 nan 4.420 nan 0.000 0.274 184 P C -1.130 176.021 177.300 -0.249 0.000 1.237 184 P CA -0.231 62.748 63.100 -0.202 0.000 0.793 184 P CB 0.632 32.139 31.700 -0.320 0.000 0.977 185 R N 2.081 122.469 120.500 -0.187 0.000 2.248 185 R HA 0.206 4.546 4.340 0.000 0.000 0.328 185 R C -0.499 175.701 176.300 -0.168 0.000 1.067 185 R CA -0.362 55.686 56.100 -0.086 0.000 0.924 185 R CB -0.317 29.957 30.300 -0.044 0.000 1.013 185 R HN 0.364 nan 8.270 nan 0.000 0.454 186 Y N 2.614 122.908 120.300 -0.010 0.000 2.359 186 Y HA 0.149 4.699 4.550 0.000 0.000 0.330 186 Y C 0.932 176.829 175.900 -0.005 0.000 1.143 186 Y CA 0.261 58.357 58.100 -0.006 0.000 1.318 186 Y CB 1.431 39.885 38.460 -0.009 0.000 1.234 186 Y HN 0.599 nan 8.280 nan 0.000 0.522 187 T N -1.440 113.172 114.554 0.097 0.000 2.901 187 T HA 0.206 4.557 4.350 0.000 0.000 0.293 187 T C 0.557 175.297 174.700 0.067 0.000 1.084 187 T CA -1.072 61.065 62.100 0.061 0.000 1.008 187 T CB 1.792 70.672 68.868 0.019 0.000 1.170 187 T HN 0.698 nan 8.240 nan 0.000 0.509 188 Q N -0.250 119.579 119.800 0.048 0.000 2.291 188 Q HA -0.073 4.267 4.340 0.000 0.000 0.206 188 Q C 1.275 177.299 176.000 0.040 0.000 0.976 188 Q CA 1.232 57.060 55.803 0.043 0.000 0.875 188 Q CB -0.139 28.617 28.738 0.030 0.000 0.927 188 Q HN 0.654 nan 8.270 nan 0.000 0.450 189 M N -0.366 119.254 119.600 0.033 0.000 2.492 189 M HA 0.064 4.544 4.480 0.000 0.000 0.255 189 M C -0.008 176.309 176.300 0.028 0.000 1.139 189 M CA 0.425 55.742 55.300 0.029 0.000 1.096 189 M CB 0.207 32.820 32.600 0.022 0.000 1.360 189 M HN 0.188 nan 8.290 nan 0.000 0.480 190 N N 1.418 120.132 118.700 0.024 0.000 2.815 190 N HA -0.153 4.587 4.740 0.000 0.000 0.248 190 N C 0.006 175.508 175.510 -0.014 0.000 1.110 190 N CA 0.714 53.766 53.050 0.003 0.000 0.699 190 N CB -1.535 36.966 38.487 0.024 0.000 1.040 190 N HN 0.432 nan 8.380 nan 0.000 0.555 191 D N 0.411 120.803 120.400 -0.014 0.000 2.190 191 D HA -0.131 4.509 4.640 0.000 0.000 0.200 191 D C 0.530 176.815 176.300 -0.025 0.000 0.992 191 D CA 1.037 55.030 54.000 -0.012 0.000 0.854 191 D CB -0.037 40.753 40.800 -0.017 0.000 0.936 191 D HN 0.417 nan 8.370 nan 0.000 0.462 192 N N 0.909 119.569 118.700 -0.067 0.000 2.714 192 N HA 0.040 4.780 4.740 0.000 0.000 0.298 192 N C 1.146 176.599 175.510 -0.096 0.000 1.298 192 N CA -0.029 52.970 53.050 -0.085 0.000 1.007 192 N CB 0.535 38.940 38.487 -0.136 0.000 1.318 192 N HN 0.436 nan 8.380 nan 0.000 0.516 193 R N -0.945 119.529 120.500 -0.043 0.000 2.312 193 R HA 0.130 4.470 4.340 0.000 0.000 0.205 193 R C 1.394 177.672 176.300 -0.036 0.000 0.904 193 R CA -0.041 56.026 56.100 -0.054 0.000 1.052 193 R CB -0.340 29.936 30.300 -0.040 0.000 1.014 193 R HN 0.226 nan 8.270 nan 0.000 0.503 194 H N 1.435 120.466 119.070 -0.066 0.000 2.289 194 H HA -0.106 4.450 4.556 0.000 0.000 0.296 194 H C 1.923 177.229 175.328 -0.037 0.000 1.091 194 H CA 2.549 58.577 56.048 -0.034 0.000 1.274 194 H CB -0.087 29.680 29.762 0.009 0.000 1.364 194 H HN 0.440 nan 8.280 nan 0.000 0.490 195 G N -0.730 108.119 108.800 0.082 0.000 2.440 195 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 195 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 195 G C 1.815 176.696 174.900 -0.031 0.000 1.154 195 G CA 1.384 46.508 45.100 0.040 0.000 0.767 195 G HN 0.399 nan 8.290 nan 0.000 0.552 196 T N 0.607 115.124 114.554 -0.061 0.000 2.746 196 T HA -0.089 4.261 4.350 0.000 0.000 0.267 196 T C 2.478 177.083 174.700 -0.159 0.000 1.039 196 T CA 1.171 63.218 62.100 -0.088 0.000 1.142 196 T CB -0.152 68.672 68.868 -0.073 0.000 0.866 196 T HN 0.267 nan 8.240 nan 0.000 0.444 197 R N 0.144 120.498 120.500 -0.243 0.000 2.096 197 R HA -0.052 4.288 4.340 0.000 0.000 0.235 197 R C 2.745 178.887 176.300 -0.264 0.000 1.127 197 R CA 1.381 57.245 56.100 -0.394 0.000 0.968 197 R CB -0.758 29.031 30.300 -0.851 0.000 0.861 197 R HN 0.395 nan 8.270 nan 0.000 0.440 198 C N 0.027 119.224 119.300 -0.172 0.000 2.440 198 C HA 0.009 4.469 4.460 0.000 0.000 0.278 198 C C 2.932 177.909 174.990 -0.022 0.000 1.295 198 C CA 0.542 59.534 59.018 -0.043 0.000 1.738 198 C CB -0.909 26.815 27.740 -0.026 0.000 1.987 198 C HN 0.578 nan 8.230 nan 0.000 0.492 199 A N 1.198 124.000 122.820 -0.031 0.000 1.865 199 A HA -0.004 4.316 4.320 0.000 0.000 0.217 199 A C 2.444 180.022 177.584 -0.009 0.000 1.191 199 A CA 2.227 54.262 52.037 -0.004 0.000 0.623 199 A CB -1.418 17.585 19.000 0.004 0.000 0.826 199 A HN 0.537 nan 8.150 nan 0.000 0.444 200 G N -0.708 108.060 108.800 -0.053 0.000 2.442 200 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 200 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 200 G C 1.405 176.326 174.900 0.034 0.000 1.141 200 G CA 1.158 46.235 45.100 -0.039 0.000 0.763 200 G HN 0.663 nan 8.290 nan 0.000 0.554 201 E N -0.468 119.756 120.200 0.041 0.000 2.150 201 E HA -0.041 4.309 4.350 0.000 0.000 0.193 201 E C 2.675 179.335 176.600 0.100 0.000 0.985 201 E CA 0.743 57.195 56.400 0.087 0.000 0.814 201 E CB 0.056 29.793 29.700 0.061 0.000 0.752 201 E HN 0.358 nan 8.360 nan 0.000 0.466 202 V N 0.040 119.994 119.914 0.068 0.000 2.331 202 V HA -0.001 4.119 4.120 0.000 0.000 0.242 202 V C 1.236 177.379 176.094 0.082 0.000 1.034 202 V CA 1.502 63.842 62.300 0.066 0.000 1.027 202 V CB 0.172 32.017 31.823 0.036 0.000 0.667 202 V HN 0.250 nan 8.190 nan 0.000 0.457 203 A N -0.434 122.429 122.820 0.071 0.000 3.045 203 A HA 0.754 5.074 4.320 0.000 0.000 0.244 203 A C 0.290 177.921 177.584 0.079 0.000 0.917 203 A CA 0.215 52.299 52.037 0.078 0.000 1.075 203 A CB -0.163 18.865 19.000 0.046 0.000 1.202 203 A HN 0.430 nan 8.150 nan 0.000 0.486 204 A N 0.214 123.085 122.820 0.084 0.000 2.462 204 A HA 0.516 4.836 4.320 0.000 0.000 0.243 204 A C 0.551 178.171 177.584 0.059 0.000 1.076 204 A CA 0.009 52.079 52.037 0.055 0.000 0.773 204 A CB 0.050 19.079 19.000 0.049 0.000 1.010 204 A HN 0.848 nan 8.150 nan 0.000 0.493 205 V N 1.685 121.619 119.914 0.033 0.000 2.763 205 V HA 0.318 4.438 4.120 0.000 0.000 0.306 205 V C 1.033 177.069 176.094 -0.096 0.000 1.059 205 V CA 0.624 62.919 62.300 -0.007 0.000 1.138 205 V CB 0.489 32.312 31.823 0.001 0.000 0.940 205 V HN 1.115 nan 8.190 nan 0.000 0.489 206 A N 3.987 126.665 122.820 -0.236 0.000 2.294 206 A HA 0.595 4.915 4.320 0.000 0.000 0.330 206 A C 0.728 178.095 177.584 -0.361 0.000 1.133 206 A CA -0.611 51.140 52.037 -0.476 0.000 0.836 206 A CB 0.266 18.531 19.000 -1.226 0.000 1.190 206 A HN 0.993 nan 8.150 nan 0.000 0.492 207 N N 0.609 119.099 118.700 -0.350 0.000 2.727 207 N HA -0.175 4.565 4.740 0.000 0.000 0.249 207 N C -0.045 175.375 175.510 -0.151 0.000 1.048 207 N CA 1.273 54.175 53.050 -0.246 0.000 0.714 207 N CB -0.816 37.509 38.487 -0.270 0.000 0.959 207 N HN 0.863 nan 8.380 nan 0.000 0.544 208 N N -1.398 117.234 118.700 -0.115 0.000 2.238 208 N HA 0.212 4.952 4.740 0.000 0.000 0.235 208 N C 1.040 176.525 175.510 -0.043 0.000 1.209 208 N CA 0.522 53.533 53.050 -0.067 0.000 0.879 208 N CB 0.117 38.575 38.487 -0.047 0.000 1.136 208 N HN 0.312 nan 8.380 nan 0.000 0.517 209 G N -0.144 108.628 108.800 -0.047 0.000 2.187 209 G HA2 -0.248 3.712 3.960 0.000 0.000 0.261 209 G HA3 -0.248 3.712 3.960 0.000 0.000 0.261 209 G C -0.530 174.368 174.900 -0.003 0.000 1.000 209 G CA 0.725 45.811 45.100 -0.024 0.000 0.718 209 G HN 0.337 nan 8.290 nan 0.000 0.519 210 V N -0.427 119.490 119.914 0.004 0.000 2.540 210 V HA 0.626 4.746 4.120 0.000 0.000 0.302 210 V C 1.558 177.684 176.094 0.053 0.000 1.035 210 V CA -0.331 61.989 62.300 0.033 0.000 0.873 210 V CB 0.729 32.580 31.823 0.046 0.000 0.992 210 V HN 1.166 nan 8.190 nan 0.000 0.428 211 c N 3.832 122.475 118.600 0.071 0.000 0.169 211 c HA -0.233 4.337 4.570 0.000 0.000 0.017 211 c C 1.703 175.846 174.090 0.089 0.000 0.171 211 c CA 1.742 58.123 56.329 0.086 0.000 0.499 211 c CB -1.182 41.390 42.510 0.104 0.000 3.212 211 c HN 1.366 nan 8.230 nan 0.000 1.118 212 G N -1.021 107.840 108.800 0.102 0.000 3.247 212 G HA2 0.711 4.671 3.960 0.000 0.000 0.163 212 G HA3 0.711 4.671 3.960 0.000 0.000 0.163 212 G C -0.483 174.482 174.900 0.107 0.000 1.206 212 G CA 0.666 45.850 45.100 0.141 0.000 0.918 212 G HN 2.149 nan 8.290 nan 0.000 0.625 213 V N -2.937 117.082 119.914 0.174 0.000 3.114 213 V HA 0.909 5.029 4.120 0.000 0.000 0.308 213 V C 0.168 176.416 176.094 0.257 0.000 1.168 213 V CA -0.176 62.204 62.300 0.133 0.000 1.015 213 V CB 1.386 33.202 31.823 -0.012 0.000 1.050 213 V HN 1.296 nan 8.190 nan 0.000 0.433 214 G N 0.330 109.284 108.800 0.257 0.000 2.477 214 G HA2 0.493 4.453 3.960 0.000 0.000 0.304 214 G HA3 0.493 4.453 3.960 0.000 0.000 0.304 214 G C 0.651 175.793 174.900 0.404 0.000 1.175 214 G CA -0.056 45.208 45.100 0.274 0.000 0.907 214 G HN 1.093 nan 8.290 nan 0.000 0.509 215 V N 0.969 121.090 119.914 0.344 0.000 2.287 215 V HA -0.085 4.036 4.120 0.000 0.000 0.248 215 V C 2.176 178.492 176.094 0.370 0.000 1.053 215 V CA 2.295 64.833 62.300 0.398 0.000 1.027 215 V CB -0.581 31.363 31.823 0.200 0.000 0.646 215 V HN 0.811 nan 8.190 nan 0.000 0.447 216 A N -0.537 122.380 122.820 0.162 0.000 3.056 216 A HA 0.440 4.761 4.320 0.000 0.000 0.328 216 A C 0.722 178.275 177.584 -0.052 0.000 1.233 216 A CA -0.544 51.495 52.037 0.003 0.000 0.965 216 A CB -0.567 18.434 19.000 0.000 0.000 1.123 216 A HN 0.603 nan 8.150 nan 0.000 0.502 217 Y N -0.794 119.490 120.300 -0.027 0.000 2.716 217 Y HA 0.029 4.579 4.550 0.000 0.000 0.302 217 Y C 0.893 176.693 175.900 -0.165 0.000 1.160 217 Y CA 0.586 58.618 58.100 -0.112 0.000 1.362 217 Y CB -0.492 37.845 38.460 -0.205 0.000 0.988 217 Y HN 0.452 nan 8.280 nan 0.000 0.546 218 N N 0.355 118.955 118.700 -0.167 0.000 2.177 218 N HA 0.328 5.068 4.740 0.000 0.000 0.218 218 N C 0.182 175.543 175.510 -0.247 0.000 1.182 218 N CA 0.459 53.338 53.050 -0.286 0.000 0.882 218 N CB 0.592 38.645 38.487 -0.723 0.000 1.052 218 N HN 0.397 nan 8.380 nan 0.000 0.519 219 A N 0.692 123.435 122.820 -0.128 0.000 2.272 219 A HA 0.504 4.824 4.320 0.000 0.000 0.275 219 A C 0.406 177.970 177.584 -0.034 0.000 1.096 219 A CA -0.305 51.690 52.037 -0.070 0.000 0.822 219 A CB 0.870 19.844 19.000 -0.044 0.000 1.088 219 A HN 0.108 nan 8.150 nan 0.000 0.495 220 R N -0.454 120.032 120.500 -0.023 0.000 2.368 220 R HA 0.516 4.856 4.340 0.000 0.000 0.302 220 R C -1.304 174.979 176.300 -0.027 0.000 1.002 220 R CA -0.453 55.636 56.100 -0.019 0.000 0.929 220 R CB 1.324 31.610 30.300 -0.022 0.000 1.073 220 R HN 0.572 nan 8.270 nan 0.000 0.464 221 I N 1.315 121.878 120.570 -0.010 0.000 2.465 221 I HA 0.520 4.690 4.170 0.000 0.000 0.291 221 I C -0.322 175.793 176.117 -0.003 0.000 1.014 221 I CA -0.139 61.165 61.300 0.006 0.000 1.093 221 I CB 1.941 39.972 38.000 0.052 0.000 1.267 221 I HN 0.685 nan 8.210 nan 0.000 0.431 222 G N 3.883 112.679 108.800 -0.007 0.000 2.714 222 G HA2 0.808 4.768 3.960 0.000 0.000 0.292 222 G HA3 0.808 4.768 3.960 0.000 0.000 0.292 222 G C -1.155 173.810 174.900 0.107 0.000 1.308 222 G CA -0.729 44.377 45.100 0.011 0.000 0.964 222 G HN 0.899 nan 8.290 nan 0.000 0.484 223 G N -1.534 107.367 108.800 0.168 0.000 2.682 223 G HA2 0.554 4.514 3.960 0.000 0.000 0.300 223 G HA3 0.554 4.514 3.960 0.000 0.000 0.300 223 G C -1.623 173.374 174.900 0.162 0.000 1.391 223 G CA -0.389 44.804 45.100 0.155 0.000 0.990 223 G HN 0.837 nan 8.290 nan 0.000 0.501 224 V N 1.761 121.769 119.914 0.156 0.000 2.350 224 V HA 0.432 4.552 4.120 0.000 0.000 0.285 224 V C 0.450 176.611 176.094 0.111 0.000 1.014 224 V CA -0.869 61.534 62.300 0.171 0.000 0.831 224 V CB 1.308 33.255 31.823 0.206 0.000 1.000 224 V HN 0.782 nan 8.190 nan 0.000 0.433 225 R N 5.172 125.723 120.500 0.084 0.000 2.248 225 R HA 0.377 4.718 4.340 0.000 0.000 0.337 225 R C 0.447 176.752 176.300 0.009 0.000 1.085 225 R CA -0.100 56.015 56.100 0.024 0.000 0.934 225 R CB 0.326 30.627 30.300 0.001 0.000 1.034 225 R HN 0.804 nan 8.270 nan 0.000 0.465 226 M N 2.690 122.258 119.600 -0.053 0.000 2.215 226 M HA 0.188 4.668 4.480 0.000 0.000 0.391 226 M C -0.394 175.773 176.300 -0.221 0.000 0.914 226 M CA 0.381 55.618 55.300 -0.104 0.000 1.035 226 M CB 0.587 33.138 32.600 -0.083 0.000 1.944 226 M HN 0.396 nan 8.290 nan 0.000 0.656 227 L N -0.196 120.883 121.223 -0.241 0.000 2.590 227 L HA 0.286 4.627 4.340 0.000 0.000 0.227 227 L C 0.470 177.232 176.870 -0.180 0.000 1.099 227 L CA 0.105 54.769 54.840 -0.294 0.000 0.872 227 L CB 0.209 42.060 42.059 -0.346 0.000 1.088 227 L HN 0.242 nan 8.230 nan 0.000 0.479 228 D N 1.409 121.733 120.400 -0.127 0.000 2.845 228 D HA 0.396 5.036 4.640 0.000 0.000 0.235 228 D C 0.361 176.617 176.300 -0.074 0.000 1.158 228 D CA 0.417 54.362 54.000 -0.091 0.000 0.990 228 D CB -0.070 40.685 40.800 -0.074 0.000 1.094 228 D HN 0.314 nan 8.370 nan 0.000 0.486 229 G N 0.562 109.313 108.800 -0.081 0.000 2.344 229 G HA2 0.007 3.967 3.960 0.000 0.000 0.282 229 G HA3 0.007 3.967 3.960 0.000 0.000 0.282 229 G C -1.232 173.628 174.900 -0.068 0.000 1.281 229 G CA -0.930 44.134 45.100 -0.061 0.000 0.877 229 G HN 0.171 nan 8.290 nan 0.000 0.494 230 E N 0.024 120.194 120.200 -0.051 0.000 2.217 230 E HA 0.395 4.745 4.350 0.000 0.000 0.279 230 E C -0.180 176.382 176.600 -0.064 0.000 1.068 230 E CA -0.379 55.992 56.400 -0.047 0.000 0.882 230 E CB 0.861 30.545 29.700 -0.027 0.000 1.039 230 E HN 0.265 nan 8.360 nan 0.000 0.418 231 V N 6.412 126.274 119.914 -0.085 0.000 2.223 231 V HA 0.047 4.167 4.120 0.000 0.000 0.249 231 V C 0.733 176.793 176.094 -0.056 0.000 1.233 231 V CA -0.214 62.015 62.300 -0.117 0.000 1.131 231 V CB -0.360 31.338 31.823 -0.209 0.000 1.298 231 V HN 0.759 nan 8.190 nan 0.000 0.498 232 T N -0.781 113.753 114.554 -0.034 0.000 2.816 232 T HA 0.151 4.501 4.350 0.000 0.000 0.282 232 T C 1.060 175.768 174.700 0.014 0.000 0.993 232 T CA -0.169 61.929 62.100 -0.003 0.000 0.994 232 T CB 1.299 70.165 68.868 -0.003 0.000 1.025 232 T HN 0.435 nan 8.240 nan 0.000 0.529 233 D N 0.859 121.277 120.400 0.031 0.000 2.104 233 D HA -0.113 4.527 4.640 0.000 0.000 0.194 233 D C 2.307 178.616 176.300 0.015 0.000 0.994 233 D CA 1.928 55.952 54.000 0.041 0.000 0.830 233 D CB -0.719 40.102 40.800 0.034 0.000 0.959 233 D HN 0.722 nan 8.370 nan 0.000 0.452 234 A N -0.115 122.706 122.820 0.003 0.000 1.940 234 A HA -0.135 4.185 4.320 0.000 0.000 0.219 234 A C 2.589 180.165 177.584 -0.013 0.000 1.176 234 A CA 1.715 53.746 52.037 -0.009 0.000 0.631 234 A CB -0.789 18.207 19.000 -0.007 0.000 0.814 234 A HN 0.232 nan 8.150 nan 0.000 0.446 235 V N 0.124 120.031 119.914 -0.011 0.000 2.358 235 V HA -0.250 3.871 4.120 0.000 0.000 0.246 235 V C 2.404 178.489 176.094 -0.015 0.000 1.047 235 V CA 2.224 64.513 62.300 -0.018 0.000 1.035 235 V CB -0.795 31.005 31.823 -0.040 0.000 0.658 235 V HN 0.655 nan 8.190 nan 0.000 0.452 236 E N 0.498 120.698 120.200 0.000 0.000 2.072 236 E HA -0.163 4.187 4.350 0.000 0.000 0.191 236 E C 2.343 178.940 176.600 -0.005 0.000 0.985 236 E CA 1.240 57.673 56.400 0.055 0.000 0.801 236 E CB -0.346 29.456 29.700 0.172 0.000 0.750 236 E HN 0.585 nan 8.360 nan 0.000 0.452 237 A N 1.768 124.563 122.820 -0.042 0.000 1.933 237 A HA -0.197 4.123 4.320 0.000 0.000 0.218 237 A C 2.096 179.630 177.584 -0.083 0.000 1.175 237 A CA 1.300 53.280 52.037 -0.095 0.000 0.628 237 A CB -0.382 18.574 19.000 -0.073 0.000 0.814 237 A HN 0.081 nan 8.150 nan 0.000 0.444 238 R N -0.436 120.033 120.500 -0.053 0.000 2.115 238 R HA -0.020 4.320 4.340 0.000 0.000 0.226 238 R C 2.432 178.714 176.300 -0.030 0.000 1.100 238 R CA 1.375 57.440 56.100 -0.059 0.000 0.980 238 R CB -0.281 29.981 30.300 -0.064 0.000 0.875 238 R HN 0.510 nan 8.270 nan 0.000 0.445 239 S N 1.088 116.795 115.700 0.012 0.000 2.345 239 S HA -0.059 4.411 4.470 0.000 0.000 0.219 239 S C 1.779 176.426 174.600 0.079 0.000 1.031 239 S CA 0.723 58.975 58.200 0.087 0.000 0.984 239 S CB -0.134 63.140 63.200 0.124 0.000 0.874 239 S HN 0.061 nan 8.310 nan 0.000 0.451 240 L N 1.379 122.580 121.223 -0.038 0.000 2.127 240 L HA 0.018 4.358 4.340 0.000 0.000 0.211 240 L C 2.104 178.823 176.870 -0.252 0.000 1.089 240 L CA 1.478 56.185 54.840 -0.221 0.000 0.757 240 L CB -1.357 40.416 42.059 -0.477 0.000 0.899 240 L HN 0.430 nan 8.230 nan 0.000 0.434 241 G N -1.634 107.099 108.800 -0.113 0.000 3.523 241 G HA2 0.185 4.145 3.960 0.000 0.000 0.270 241 G HA3 0.185 4.145 3.960 0.000 0.000 0.270 241 G C 0.117 175.041 174.900 0.041 0.000 1.134 241 G CA -0.310 44.765 45.100 -0.043 0.000 0.825 241 G HN 0.146 nan 8.290 nan 0.000 0.534 242 L N 0.356 121.656 121.223 0.129 0.000 2.361 242 L HA 0.389 4.729 4.340 0.000 0.000 0.278 242 L C 0.121 177.114 176.870 0.205 0.000 1.113 242 L CA -0.286 54.635 54.840 0.135 0.000 0.849 242 L CB -0.122 42.037 42.059 0.166 0.000 1.155 242 L HN 0.231 nan 8.230 nan 0.000 0.452 243 N N 3.541 122.300 118.700 0.099 0.000 2.688 243 N HA -0.185 4.555 4.740 0.000 0.000 0.258 243 N C -2.060 173.528 175.510 0.129 0.000 1.016 243 N CA 0.854 53.962 53.050 0.097 0.000 0.747 243 N CB -0.764 37.787 38.487 0.106 0.000 0.895 243 N HN 0.560 nan 8.380 nan 0.000 0.543 244 P HA -0.145 nan 4.420 nan 0.000 0.218 244 P C 0.627 177.964 177.300 0.062 0.000 1.146 244 P CA 1.184 64.368 63.100 0.139 0.000 0.820 244 P CB 0.202 31.956 31.700 0.090 0.000 0.778 245 N N -2.802 115.922 118.700 0.040 0.000 2.230 245 N HA -0.014 4.726 4.740 0.000 0.000 0.202 245 N C 1.100 176.600 175.510 -0.018 0.000 1.119 245 N CA 0.368 53.425 53.050 0.011 0.000 0.851 245 N CB -0.207 38.298 38.487 0.031 0.000 0.990 245 N HN 0.312 nan 8.380 nan 0.000 0.497 246 H N -0.427 118.553 119.070 -0.149 0.000 2.521 246 H HA 0.394 4.950 4.556 0.000 0.000 0.267 246 H C 0.121 175.215 175.328 -0.390 0.000 0.963 246 H CA 0.165 56.086 56.048 -0.213 0.000 1.175 246 H CB 0.514 30.201 29.762 -0.125 0.000 1.450 246 H HN -0.108 nan 8.280 nan 0.000 0.472 247 I N 1.632 121.973 120.570 -0.381 0.000 2.371 247 I HA 0.089 4.260 4.170 0.000 0.000 0.290 247 I C 0.502 176.288 176.117 -0.552 0.000 1.028 247 I CA -0.004 60.970 61.300 -0.542 0.000 1.345 247 I CB 1.365 39.016 38.000 -0.581 0.000 1.407 247 I HN 0.441 nan 8.210 nan 0.000 0.501 248 H N 5.275 124.173 119.070 -0.287 0.000 2.418 248 H HA 0.351 4.907 4.556 0.000 0.000 0.300 248 H C -0.120 175.094 175.328 -0.190 0.000 1.041 248 H CA 0.596 56.536 56.048 -0.179 0.000 1.364 248 H CB 0.305 29.989 29.762 -0.130 0.000 1.439 248 H HN 0.379 nan 8.280 nan 0.000 0.540 249 I N 0.633 121.118 120.570 -0.141 0.000 2.498 249 I HA 0.210 4.380 4.170 0.000 0.000 0.290 249 I C -1.352 174.627 176.117 -0.231 0.000 1.032 249 I CA -0.921 60.313 61.300 -0.111 0.000 1.073 249 I CB 1.960 39.944 38.000 -0.026 0.000 1.251 249 I HN 0.027 nan 8.210 nan 0.000 0.426 250 Y N 3.427 123.716 120.300 -0.018 0.000 2.352 250 Y HA 0.476 5.026 4.550 0.000 0.000 0.339 250 Y C 0.387 176.332 175.900 0.074 0.000 0.992 250 Y CA -0.625 57.521 58.100 0.076 0.000 1.100 250 Y CB 2.063 40.663 38.460 0.233 0.000 1.192 250 Y HN 0.418 nan 8.280 nan 0.000 0.458 251 S N 2.612 118.396 115.700 0.140 0.000 2.530 251 S HA 0.830 5.301 4.470 0.000 0.000 0.322 251 S C -0.916 173.599 174.600 -0.142 0.000 1.085 251 S CA -0.499 57.702 58.200 0.002 0.000 1.096 251 S CB 0.138 63.338 63.200 -0.001 0.000 0.988 251 S HN 0.752 nan 8.310 nan 0.000 0.466 252 A N 3.980 126.486 122.820 -0.524 0.000 2.310 252 A HA 0.628 4.948 4.320 0.000 0.000 0.304 252 A C -0.027 176.886 177.584 -1.119 0.000 1.231 252 A CA -0.603 50.806 52.037 -1.046 0.000 0.799 252 A CB 0.912 18.516 19.000 -2.327 0.000 1.162 252 A HN 0.658 nan 8.150 nan 0.000 0.486 253 S N 4.544 119.984 115.700 -0.435 0.000 3.334 253 S HA 0.468 4.938 4.470 0.000 0.000 0.188 253 S C -0.607 174.040 174.600 0.078 0.000 1.404 253 S CA -0.500 57.615 58.200 -0.142 0.000 1.040 253 S CB -0.708 62.573 63.200 0.134 0.000 1.352 253 S HN 0.769 nan 8.310 nan 0.000 0.501 254 W N -0.687 120.549 121.300 -0.106 0.000 2.989 254 W HA 0.695 5.355 4.660 -0.000 0.000 0.344 254 W C -0.329 176.292 176.519 0.171 0.000 1.233 254 W CA -1.047 56.288 57.345 -0.017 0.000 1.187 254 W CB 0.581 29.986 29.460 -0.091 0.000 1.443 254 W HN 0.383 nan 8.180 nan 0.000 0.573 255 G N 0.388 109.482 108.800 0.489 0.000 2.321 255 G HA2 0.505 4.465 3.960 0.000 0.000 0.296 255 G HA3 0.505 4.465 3.960 0.000 0.000 0.296 255 G C -3.290 171.766 174.900 0.261 0.000 1.287 255 G CA -0.971 44.321 45.100 0.320 0.000 0.846 255 G HN 0.272 nan 8.290 nan 0.000 0.508 256 P HA 0.279 nan 4.420 nan 0.000 0.271 256 P C -0.017 177.367 177.300 0.140 0.000 1.233 256 P CA -0.295 62.922 63.100 0.195 0.000 0.789 256 P CB 0.493 32.320 31.700 0.211 0.000 0.951 257 E N 0.913 121.174 120.200 0.102 0.000 2.568 257 E HA -0.102 4.248 4.350 0.000 0.000 0.262 257 E C -0.380 176.266 176.600 0.075 0.000 0.961 257 E CA 0.295 56.740 56.400 0.075 0.000 0.945 257 E CB 0.075 29.807 29.700 0.054 0.000 0.924 257 E HN 0.284 nan 8.360 nan 0.000 0.467 258 D N 4.147 124.590 120.400 0.071 0.000 3.168 258 D HA -0.003 4.637 4.640 0.000 0.000 0.255 258 D C -0.153 176.182 176.300 0.059 0.000 1.314 258 D CA 0.028 54.071 54.000 0.071 0.000 0.900 258 D CB 0.191 41.035 40.800 0.074 0.000 1.072 258 D HN 0.442 nan 8.370 nan 0.000 0.487 259 D N -1.081 119.347 120.400 0.047 0.000 2.339 259 D HA 0.057 4.697 4.640 0.000 0.000 0.217 259 D C 1.545 177.868 176.300 0.038 0.000 1.050 259 D CA 0.035 54.048 54.000 0.022 0.000 0.856 259 D CB 0.006 40.813 40.800 0.011 0.000 0.922 259 D HN 0.186 nan 8.370 nan 0.000 0.518 260 G N 0.658 109.501 108.800 0.071 0.000 2.153 260 G HA2 -0.363 3.597 3.960 0.000 0.000 0.252 260 G HA3 -0.363 3.597 3.960 0.000 0.000 0.252 260 G C 0.819 175.767 174.900 0.081 0.000 0.994 260 G CA 0.631 45.793 45.100 0.104 0.000 0.698 260 G HN 0.489 nan 8.290 nan 0.000 0.521 261 K N -0.915 119.515 120.400 0.049 0.000 2.491 261 K HA 0.215 4.535 4.320 0.000 0.000 0.211 261 K C 0.989 177.581 176.600 -0.013 0.000 1.210 261 K CA 0.667 56.968 56.287 0.024 0.000 1.003 261 K CB 1.095 33.628 32.500 0.054 0.000 1.009 261 K HN 0.394 nan 8.250 nan 0.000 0.577 262 T N -0.353 114.196 114.554 -0.008 0.000 2.895 262 T HA 0.489 4.839 4.350 0.000 0.000 0.283 262 T C -0.642 174.006 174.700 -0.087 0.000 1.014 262 T CA -0.604 61.473 62.100 -0.038 0.000 1.037 262 T CB 1.467 70.335 68.868 -0.000 0.000 1.006 262 T HN -0.199 nan 8.240 nan 0.000 0.468 263 V N 4.302 124.113 119.914 -0.171 0.000 2.380 263 V HA 0.606 4.726 4.120 0.000 0.000 0.286 263 V C -0.741 175.183 176.094 -0.283 0.000 1.015 263 V CA -0.594 61.489 62.300 -0.362 0.000 0.834 263 V CB 1.160 32.643 31.823 -0.565 0.000 1.009 263 V HN 1.069 nan 8.190 nan 0.000 0.428 264 D N 2.601 122.928 120.400 -0.123 0.000 2.609 264 D HA 0.809 5.449 4.640 0.000 0.000 0.239 264 D C -0.146 176.332 176.300 0.298 0.000 1.229 264 D CA 0.238 54.291 54.000 0.089 0.000 0.808 264 D CB 2.569 43.442 40.800 0.121 0.000 1.448 264 D HN 0.732 nan 8.370 nan 0.000 0.433 265 G N 0.206 109.166 108.800 0.267 0.000 2.682 265 G HA2 0.609 4.569 3.960 0.000 0.000 0.303 265 G HA3 0.609 4.569 3.960 0.000 0.000 0.303 265 G C -2.787 172.017 174.900 -0.161 0.000 1.341 265 G CA -0.992 44.116 45.100 0.014 0.000 0.784 265 G HN 0.421 nan 8.290 nan 0.000 0.497 266 P HA 0.394 nan 4.420 nan 0.000 0.269 266 P C 0.172 177.446 177.300 -0.043 0.000 1.209 266 P CA 0.300 63.247 63.100 -0.255 0.000 0.776 266 P CB 1.388 32.917 31.700 -0.286 0.000 0.876 267 A N 3.979 126.825 122.820 0.043 0.000 2.388 267 A HA 0.261 4.581 4.320 0.000 0.000 0.280 267 A C 1.817 179.412 177.584 0.018 0.000 1.377 267 A CA -0.377 51.684 52.037 0.039 0.000 0.863 267 A CB 0.050 19.085 19.000 0.058 0.000 1.416 267 A HN 0.482 nan 8.150 nan 0.000 0.517 268 R N -1.117 119.394 120.500 0.018 0.000 2.080 268 R HA -0.115 4.226 4.340 0.000 0.000 0.236 268 R C 1.896 178.195 176.300 -0.000 0.000 1.137 268 R CA 1.755 57.862 56.100 0.011 0.000 0.943 268 R CB -0.678 29.629 30.300 0.012 0.000 0.846 268 R HN 0.637 nan 8.270 nan 0.000 0.431 269 L N 0.129 121.348 121.223 -0.006 0.000 2.109 269 L HA -0.086 4.254 4.340 0.000 0.000 0.207 269 L C 2.687 179.523 176.870 -0.056 0.000 1.086 269 L CA 0.958 55.782 54.840 -0.026 0.000 0.760 269 L CB -0.520 41.525 42.059 -0.024 0.000 0.910 269 L HN 0.269 nan 8.230 nan 0.000 0.437 270 A N -0.095 122.694 122.820 -0.052 0.000 1.930 270 A HA -0.234 4.086 4.320 0.000 0.000 0.217 270 A C 2.159 179.658 177.584 -0.142 0.000 1.175 270 A CA 1.699 53.658 52.037 -0.130 0.000 0.627 270 A CB -0.375 18.604 19.000 -0.035 0.000 0.815 270 A HN 0.354 nan 8.150 nan 0.000 0.443 271 E N 0.386 120.576 120.200 -0.016 0.000 2.077 271 E HA -0.188 4.162 4.350 0.000 0.000 0.193 271 E C 1.880 178.507 176.600 0.044 0.000 0.989 271 E CA 1.793 58.234 56.400 0.067 0.000 0.800 271 E CB -0.248 29.477 29.700 0.042 0.000 0.746 271 E HN 0.709 nan 8.360 nan 0.000 0.452 272 E N -0.327 119.873 120.200 0.000 0.000 2.077 272 E HA -0.200 4.151 4.350 0.000 0.000 0.193 272 E C 2.050 178.611 176.600 -0.065 0.000 0.989 272 E CA 0.903 57.297 56.400 -0.010 0.000 0.800 272 E CB -0.231 29.451 29.700 -0.030 0.000 0.746 272 E HN 0.382 nan 8.360 nan 0.000 0.452 273 A N 0.873 123.613 122.820 -0.132 0.000 1.883 273 A HA -0.202 4.118 4.320 0.000 0.000 0.217 273 A C 1.971 179.419 177.584 -0.228 0.000 1.186 273 A CA 1.265 53.182 52.037 -0.200 0.000 0.624 273 A CB -0.953 17.869 19.000 -0.296 0.000 0.822 273 A HN 0.231 nan 8.150 nan 0.000 0.444 274 F N -1.628 118.118 119.950 -0.340 0.000 2.095 274 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 274 F C 2.250 177.648 175.800 -0.670 0.000 1.104 274 F CA 1.566 59.216 58.000 -0.583 0.000 1.232 274 F CB -0.305 38.362 39.000 -0.555 0.000 0.987 274 F HN 0.341 nan 8.300 nan 0.000 0.475 275 F N 0.444 120.015 119.950 -0.631 0.000 2.146 275 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 275 F C 2.736 178.318 175.800 -0.365 0.000 1.096 275 F CA 0.761 58.335 58.000 -0.709 0.000 1.275 275 F CB -0.176 38.582 39.000 -0.403 0.000 1.008 275 F HN -0.188 nan 8.300 nan 0.000 0.480 276 R N 0.461 120.913 120.500 -0.080 0.000 2.081 276 R HA -0.138 4.202 4.340 0.000 0.000 0.235 276 R C 2.350 178.621 176.300 -0.048 0.000 1.131 276 R CA 1.551 57.585 56.100 -0.110 0.000 0.960 276 R CB -0.885 29.358 30.300 -0.094 0.000 0.856 276 R HN 0.374 nan 8.270 nan 0.000 0.436 277 G N -0.272 108.534 108.800 0.009 0.000 2.408 277 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 277 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 277 G C 1.340 176.251 174.900 0.019 0.000 1.150 277 G CA 0.561 45.716 45.100 0.092 0.000 0.776 277 G HN 0.252 nan 8.290 nan 0.000 0.542 278 V N 0.633 120.495 119.914 -0.087 0.000 2.667 278 V HA -0.076 4.044 4.120 0.000 0.000 0.252 278 V C 2.876 178.861 176.094 -0.182 0.000 1.065 278 V CA 2.094 64.151 62.300 -0.405 0.000 1.083 278 V CB 0.237 31.488 31.823 -0.952 0.000 0.692 278 V HN 0.365 nan 8.190 nan 0.000 0.468 279 S N -0.907 114.779 115.700 -0.024 0.000 2.427 279 S HA -0.033 4.437 4.470 0.000 0.000 0.224 279 S C 1.719 176.353 174.600 0.057 0.000 1.047 279 S CA 0.602 58.841 58.200 0.065 0.000 0.953 279 S CB 0.082 63.262 63.200 -0.034 0.000 0.824 279 S HN 0.647 nan 8.310 nan 0.000 0.502 280 Q N 0.518 120.330 119.800 0.018 0.000 2.350 280 Q HA 0.271 4.612 4.340 0.000 0.000 0.225 280 Q C 1.051 177.077 176.000 0.044 0.000 0.878 280 Q CA -0.071 55.748 55.803 0.026 0.000 0.935 280 Q CB 0.310 29.045 28.738 -0.004 0.000 1.099 280 Q HN 0.438 nan 8.270 nan 0.000 0.527 281 G N 0.910 109.739 108.800 0.048 0.000 2.630 281 G HA2 0.032 3.992 3.960 0.000 0.000 0.236 281 G HA3 0.032 3.992 3.960 0.000 0.000 0.236 281 G C -0.334 174.611 174.900 0.076 0.000 1.248 281 G CA -0.391 44.746 45.100 0.061 0.000 0.844 281 G HN 0.311 nan 8.290 nan 0.000 0.588 282 R N -0.528 120.013 120.500 0.067 0.000 3.251 282 R HA -0.192 4.149 4.340 0.000 0.000 0.249 282 R C 1.442 177.796 176.300 0.090 0.000 0.949 282 R CA 0.758 56.908 56.100 0.084 0.000 0.645 282 R CB -1.648 28.729 30.300 0.128 0.000 1.065 282 R HN 1.987 nan 8.270 nan 0.000 0.452 283 G N -1.441 107.401 108.800 0.069 0.000 2.321 283 G HA2 -0.151 3.809 3.960 0.000 0.000 0.287 283 G HA3 -0.151 3.809 3.960 0.000 0.000 0.287 283 G C 0.994 175.940 174.900 0.077 0.000 1.018 283 G CA 1.089 46.229 45.100 0.066 0.000 0.855 283 G HN 1.461 nan 8.290 nan 0.000 0.507 284 G N -1.897 106.957 108.800 0.089 0.000 2.195 284 G HA2 -0.254 3.706 3.960 0.000 0.000 0.224 284 G HA3 -0.254 3.706 3.960 0.000 0.000 0.224 284 G C 1.159 176.155 174.900 0.159 0.000 0.990 284 G CA 0.674 45.840 45.100 0.109 0.000 0.639 284 G HN 1.126 nan 8.290 nan 0.000 0.514 285 L N 0.893 122.213 121.223 0.161 0.000 2.313 285 L HA 0.439 4.779 4.340 0.000 0.000 0.214 285 L C 1.576 178.632 176.870 0.309 0.000 1.119 285 L CA 0.990 55.953 54.840 0.205 0.000 0.809 285 L CB -0.336 41.819 42.059 0.160 0.000 0.933 285 L HN 1.256 nan 8.230 nan 0.000 0.449 286 G N -0.152 108.792 108.800 0.240 0.000 3.055 286 G HA2 -0.169 3.792 3.960 0.000 0.000 0.686 286 G HA3 -0.169 3.792 3.960 0.000 0.000 0.686 286 G C -0.369 174.600 174.900 0.115 0.000 1.087 286 G CA -0.681 44.541 45.100 0.204 0.000 0.779 286 G HN -0.008 nan 8.290 nan 0.000 0.599 287 S N 0.488 116.168 115.700 -0.033 0.000 2.579 287 S HA 0.470 4.940 4.470 0.000 0.000 0.275 287 S C 0.946 175.371 174.600 -0.292 0.000 1.345 287 S CA 0.046 58.140 58.200 -0.177 0.000 1.031 287 S CB 0.675 63.617 63.200 -0.431 0.000 0.892 287 S HN 0.590 nan 8.310 nan 0.000 0.529 288 I N 2.896 123.339 120.570 -0.212 0.000 2.328 288 I HA 0.304 4.474 4.170 0.000 0.000 0.287 288 I C -1.138 174.918 176.117 -0.100 0.000 1.012 288 I CA -0.214 61.049 61.300 -0.063 0.000 1.195 288 I CB 0.606 38.644 38.000 0.064 0.000 1.350 288 I HN 0.479 nan 8.210 nan 0.000 0.464 289 F N 6.216 126.363 119.950 0.328 0.000 2.361 289 F HA 0.400 4.928 4.527 0.000 0.000 0.364 289 F C 0.107 176.107 175.800 0.334 0.000 1.120 289 F CA -0.889 57.342 58.000 0.384 0.000 1.102 289 F CB 1.180 40.480 39.000 0.500 0.000 1.183 289 F HN 0.051 nan 8.300 nan 0.000 0.476 290 V N 3.758 123.908 119.914 0.395 0.000 2.394 290 V HA 0.261 4.381 4.120 0.000 0.000 0.282 290 V C -0.550 175.669 176.094 0.207 0.000 1.031 290 V CA -0.831 61.621 62.300 0.254 0.000 0.881 290 V CB 1.380 33.276 31.823 0.123 0.000 0.982 290 V HN 0.717 nan 8.190 nan 0.000 0.451 291 W N 2.801 124.134 121.300 0.054 0.000 2.844 291 W HA 0.726 5.386 4.660 0.000 0.000 0.340 291 W C -0.181 176.324 176.519 -0.024 0.000 1.093 291 W CA -1.019 56.316 57.345 -0.018 0.000 1.212 291 W CB 2.396 31.836 29.460 -0.033 0.000 1.422 291 W HN 0.592 nan 8.180 nan 0.000 0.515 292 A N 2.040 124.886 122.820 0.043 0.000 2.362 292 A HA 0.293 4.613 4.320 0.000 0.000 0.276 292 A C 1.110 178.814 177.584 0.199 0.000 1.153 292 A CA 0.318 52.399 52.037 0.074 0.000 0.813 292 A CB 0.670 19.662 19.000 -0.012 0.000 1.081 292 A HN 0.653 nan 8.150 nan 0.000 0.507 293 S N 2.331 118.118 115.700 0.144 0.000 2.474 293 S HA 0.357 4.827 4.470 0.000 0.000 0.235 293 S C 0.964 175.635 174.600 0.119 0.000 0.997 293 S CA 0.685 58.965 58.200 0.133 0.000 0.949 293 S CB -0.572 62.680 63.200 0.085 0.000 0.766 293 S HN 2.572 nan 8.310 nan 0.000 0.517 294 G N 0.410 109.274 108.800 0.106 0.000 2.402 294 G HA2 0.067 4.027 3.960 0.000 0.000 0.666 294 G HA3 0.067 4.027 3.960 0.000 0.000 0.666 294 G C -0.736 174.206 174.900 0.070 0.000 1.402 294 G CA -0.517 44.637 45.100 0.091 0.000 0.920 294 G HN 0.119 nan 8.290 nan 0.000 0.651 295 N N 0.001 118.728 118.700 0.044 0.000 2.234 295 N HA 0.186 4.926 4.740 0.000 0.000 0.227 295 N C 1.592 177.129 175.510 0.044 0.000 1.151 295 N CA 0.574 53.633 53.050 0.016 0.000 0.865 295 N CB 1.274 39.703 38.487 -0.097 0.000 1.066 295 N HN 0.931 nan 8.380 nan 0.000 0.515 296 G N -0.171 108.665 108.800 0.060 0.000 3.279 296 G HA2 0.095 4.055 3.960 0.000 0.000 0.230 296 G HA3 0.095 4.055 3.960 0.000 0.000 0.230 296 G C 1.365 176.300 174.900 0.058 0.000 1.230 296 G CA 0.187 45.331 45.100 0.073 0.000 0.891 296 G HN 0.259 nan 8.290 nan 0.000 0.518 297 G N 1.121 109.938 108.800 0.029 0.000 2.491 297 G HA2 -0.304 3.656 3.960 0.000 0.000 0.218 297 G HA3 -0.304 3.656 3.960 0.000 0.000 0.218 297 G C 1.688 176.556 174.900 -0.054 0.000 1.180 297 G CA 0.887 45.968 45.100 -0.032 0.000 0.774 297 G HN 0.500 nan 8.290 nan 0.000 0.562 298 R N 0.395 120.968 120.500 0.121 0.000 2.159 298 R HA -0.082 4.258 4.340 0.000 0.000 0.237 298 R C 1.576 177.907 176.300 0.052 0.000 1.131 298 R CA 1.417 57.588 56.100 0.117 0.000 0.982 298 R CB -0.001 30.477 30.300 0.297 0.000 0.868 298 R HN 0.285 nan 8.270 nan 0.000 0.453 299 E N -0.427 119.827 120.200 0.091 0.000 2.463 299 E HA -0.017 4.333 4.350 0.000 0.000 0.193 299 E C -0.396 176.396 176.600 0.320 0.000 1.041 299 E CA 0.034 56.565 56.400 0.219 0.000 0.879 299 E CB 0.142 29.907 29.700 0.109 0.000 0.997 299 E HN 0.378 nan 8.360 nan 0.000 0.478 300 H N 0.480 119.635 119.070 0.142 0.000 2.862 300 H HA -0.158 4.398 4.556 0.000 0.000 0.290 300 H C -0.035 175.329 175.328 0.060 0.000 1.211 300 H CA 0.920 57.013 56.048 0.075 0.000 1.140 300 H CB -1.332 28.454 29.762 0.039 0.000 1.341 300 H HN 0.248 nan 8.280 nan 0.000 0.392 301 D N 0.506 120.978 120.400 0.121 0.000 2.368 301 D HA 0.220 4.860 4.640 0.000 0.000 0.240 301 D C 0.166 176.511 176.300 0.074 0.000 1.169 301 D CA 0.261 54.320 54.000 0.098 0.000 0.906 301 D CB 0.967 41.817 40.800 0.083 0.000 1.187 301 D HN 0.234 nan 8.370 nan 0.000 0.435 302 S N 0.829 116.574 115.700 0.076 0.000 2.519 302 S HA 0.262 4.732 4.470 0.000 0.000 0.309 302 S C 1.156 175.809 174.600 0.089 0.000 1.100 302 S CA -0.824 57.419 58.200 0.071 0.000 1.059 302 S CB 0.160 63.406 63.200 0.077 0.000 1.008 302 S HN 0.604 nan 8.310 nan 0.000 0.478 303 c N 3.628 122.275 118.600 0.079 0.000 2.485 303 c HA 0.163 4.733 4.570 0.000 0.000 0.283 303 c C 1.759 175.916 174.090 0.111 0.000 1.478 303 c CA -0.146 56.237 56.329 0.089 0.000 1.741 303 c CB -2.252 40.300 42.510 0.068 0.000 1.675 303 c HN 0.848 nan 8.230 nan 0.000 0.573 304 N N -0.155 118.632 118.700 0.146 0.000 2.467 304 N HA 0.041 4.781 4.740 0.000 0.000 0.184 304 N C 0.899 176.615 175.510 0.343 0.000 1.106 304 N CA 0.589 53.767 53.050 0.214 0.000 0.892 304 N CB -0.223 38.442 38.487 0.297 0.000 0.969 304 N HN 0.587 nan 8.380 nan 0.000 0.454 305 C N 0.043 119.486 119.300 0.238 0.000 2.693 305 C HA 0.202 4.662 4.460 0.000 0.000 0.286 305 C C 0.363 175.463 174.990 0.184 0.000 1.277 305 C CA -0.740 58.351 59.018 0.121 0.000 1.705 305 C CB -1.195 26.557 27.740 0.020 0.000 1.879 305 C HN 0.267 nan 8.230 nan 0.000 0.607 306 D N 0.271 120.832 120.400 0.269 0.000 2.461 306 D HA 0.263 4.903 4.640 0.000 0.000 0.240 306 D C 1.192 177.604 176.300 0.187 0.000 1.094 306 D CA -0.106 54.036 54.000 0.236 0.000 0.868 306 D CB 1.258 42.153 40.800 0.159 0.000 1.062 306 D HN 0.256 nan 8.370 nan 0.000 0.530 307 G N 2.377 111.311 108.800 0.224 0.000 2.498 307 G HA2 -0.266 3.694 3.960 0.000 0.000 0.219 307 G HA3 -0.266 3.694 3.960 0.000 0.000 0.219 307 G C 0.820 175.403 174.900 -0.527 0.000 1.119 307 G CA 0.793 45.776 45.100 -0.194 0.000 0.766 307 G HN 0.494 nan 8.290 nan 0.000 0.552 308 Y N 1.052 121.111 120.300 -0.402 0.000 2.231 308 Y HA -0.019 4.531 4.550 0.000 0.000 0.294 308 Y C 3.266 178.591 175.900 -0.958 0.000 1.120 308 Y CA 1.522 59.083 58.100 -0.898 0.000 1.141 308 Y CB -0.627 37.031 38.460 -1.337 0.000 1.022 308 Y HN 0.225 nan 8.280 nan 0.000 0.523 309 T N -2.195 112.085 114.554 -0.456 0.000 2.904 309 T HA -0.139 4.211 4.350 0.000 0.000 0.267 309 T C 1.569 176.144 174.700 -0.209 0.000 1.059 309 T CA 1.444 63.394 62.100 -0.249 0.000 1.137 309 T CB -0.558 68.287 68.868 -0.038 0.000 0.879 309 T HN 0.177 nan 8.240 nan 0.000 0.467 310 N N 1.298 119.860 118.700 -0.230 0.000 2.515 310 N HA 0.078 4.818 4.740 0.000 0.000 0.185 310 N C 0.507 175.788 175.510 -0.382 0.000 1.109 310 N CA 0.064 52.972 53.050 -0.237 0.000 0.903 310 N CB -0.181 38.176 38.487 -0.216 0.000 0.969 310 N HN 0.392 nan 8.380 nan 0.000 0.450 311 S N -0.278 115.115 115.700 -0.512 0.000 2.572 311 S HA 0.084 4.554 4.470 0.000 0.000 0.279 311 S C 1.611 175.836 174.600 -0.625 0.000 1.341 311 S CA -0.613 57.177 58.200 -0.683 0.000 1.043 311 S CB 0.220 62.871 63.200 -0.916 0.000 0.887 311 S HN 0.327 nan 8.310 nan 0.000 0.516 312 I N 2.199 122.242 120.570 -0.879 0.000 2.928 312 I HA 0.042 4.212 4.170 0.000 0.000 0.266 312 I C 0.897 176.636 176.117 -0.631 0.000 1.234 312 I CA 0.841 61.584 61.300 -0.927 0.000 1.483 312 I CB -0.418 36.705 38.000 -1.461 0.000 1.097 312 I HN 0.709 nan 8.210 nan 0.000 0.455 313 Y N 2.746 122.753 120.300 -0.489 0.000 2.583 313 Y HA 0.077 4.627 4.550 0.000 0.000 0.293 313 Y C 1.361 177.201 175.900 -0.099 0.000 1.157 313 Y CA 0.165 58.023 58.100 -0.402 0.000 1.315 313 Y CB -0.173 37.898 38.460 -0.648 0.000 1.021 313 Y HN 0.297 nan 8.280 nan 0.000 0.536 314 T N -1.854 112.667 114.554 -0.054 0.000 2.912 314 T HA 0.590 4.940 4.350 0.000 0.000 0.288 314 T C -0.851 173.951 174.700 0.170 0.000 1.030 314 T CA -0.939 61.247 62.100 0.144 0.000 1.020 314 T CB 1.893 70.766 68.868 0.007 0.000 1.056 314 T HN -0.065 nan 8.240 nan 0.000 0.480 315 L N 2.762 124.127 121.223 0.238 0.000 2.270 315 L HA 0.455 4.795 4.340 0.000 0.000 0.286 315 L C 0.762 177.732 176.870 0.166 0.000 1.059 315 L CA -0.256 54.681 54.840 0.162 0.000 0.839 315 L CB 1.117 43.254 42.059 0.131 0.000 1.221 315 L HN 0.824 nan 8.230 nan 0.000 0.431 316 S N 4.520 120.296 115.700 0.126 0.000 2.474 316 S HA 0.522 4.992 4.470 0.000 0.000 0.276 316 S C -0.095 174.566 174.600 0.101 0.000 1.227 316 S CA -0.577 57.703 58.200 0.135 0.000 1.050 316 S CB 0.021 63.270 63.200 0.081 0.000 0.939 316 S HN 0.315 nan 8.310 nan 0.000 0.490 317 I N 4.318 124.951 120.570 0.106 0.000 2.404 317 I HA 0.402 4.572 4.170 0.000 0.000 0.293 317 I C 0.657 176.813 176.117 0.065 0.000 0.992 317 I CA -0.347 60.994 61.300 0.068 0.000 1.149 317 I CB 1.321 39.350 38.000 0.048 0.000 1.315 317 I HN 0.536 nan 8.210 nan 0.000 0.446 318 S N 3.386 119.124 115.700 0.062 0.000 2.768 318 S HA 0.699 5.170 4.470 0.000 0.000 0.300 318 S C 0.060 174.710 174.600 0.084 0.000 1.122 318 S CA -0.490 57.750 58.200 0.067 0.000 0.995 318 S CB 1.758 64.984 63.200 0.044 0.000 1.195 318 S HN 0.655 nan 8.310 nan 0.000 0.547 319 S N 0.032 115.796 115.700 0.105 0.000 2.648 319 S HA 0.883 5.353 4.470 0.000 0.000 0.305 319 S C -0.867 173.835 174.600 0.170 0.000 1.094 319 S CA -0.709 57.567 58.200 0.126 0.000 0.983 319 S CB 1.710 65.039 63.200 0.214 0.000 1.101 319 S HN 0.916 nan 8.310 nan 0.000 0.514 320 A N 1.379 124.295 122.820 0.160 0.000 2.486 320 A HA 0.757 5.077 4.320 0.000 0.000 0.300 320 A C -0.013 177.760 177.584 0.316 0.000 1.048 320 A CA -0.815 51.351 52.037 0.214 0.000 0.696 320 A CB 0.895 19.884 19.000 -0.018 0.000 1.278 320 A HN 0.813 nan 8.150 nan 0.000 0.405 321 T N -0.904 113.814 114.554 0.273 0.000 2.788 321 T HA 0.257 4.607 4.350 0.000 0.000 0.287 321 T C 1.132 176.005 174.700 0.288 0.000 1.007 321 T CA 0.448 62.682 62.100 0.223 0.000 1.005 321 T CB 0.821 69.716 68.868 0.045 0.000 1.012 321 T HN 0.792 nan 8.240 nan 0.000 0.530 322 Q N 0.076 119.822 119.800 -0.090 0.000 2.152 322 Q HA -0.130 4.210 4.340 0.000 0.000 0.206 322 Q C 1.171 177.159 176.000 -0.020 0.000 0.985 322 Q CA 1.708 57.225 55.803 -0.476 0.000 0.863 322 Q CB -0.353 27.631 28.738 -1.256 0.000 0.904 322 Q HN 0.876 nan 8.270 nan 0.000 0.422 323 F N -0.688 119.244 119.950 -0.030 0.000 2.731 323 F HA 0.260 4.787 4.527 0.000 0.000 0.304 323 F C 1.241 177.111 175.800 0.116 0.000 1.133 323 F CA -0.178 57.830 58.000 0.013 0.000 1.380 323 F CB 0.463 39.462 39.000 -0.002 0.000 1.079 323 F HN 0.297 nan 8.300 nan 0.000 0.550 324 G N 1.335 110.362 108.800 0.379 0.000 2.198 324 G HA2 -0.270 3.690 3.960 0.000 0.000 0.257 324 G HA3 -0.270 3.690 3.960 0.000 0.000 0.257 324 G C -0.350 174.715 174.900 0.276 0.000 1.042 324 G CA -0.301 44.994 45.100 0.325 0.000 0.791 324 G HN 0.354 nan 8.290 nan 0.000 0.502 325 N N -1.051 117.812 118.700 0.273 0.000 2.483 325 N HA 0.531 5.271 4.740 0.000 0.000 0.285 325 N C 0.278 175.938 175.510 0.250 0.000 1.210 325 N CA -0.584 52.619 53.050 0.256 0.000 0.931 325 N CB 1.683 40.286 38.487 0.193 0.000 1.220 325 N HN 0.019 nan 8.380 nan 0.000 0.542 326 V N 2.780 122.798 119.914 0.174 0.000 2.446 326 V HA 0.140 4.260 4.120 0.000 0.000 0.276 326 V C -1.801 174.233 176.094 -0.100 0.000 1.030 326 V CA -0.959 61.339 62.300 -0.004 0.000 1.033 326 V CB 0.184 31.921 31.823 -0.145 0.000 0.993 326 V HN 0.530 nan 8.190 nan 0.000 0.477 327 P HA -0.018 nan 4.420 nan 0.000 0.269 327 P C 0.947 177.928 177.300 -0.532 0.000 1.217 327 P CA -0.181 62.593 63.100 -0.544 0.000 0.783 327 P CB 0.355 31.304 31.700 -1.253 0.000 0.898 328 W N 2.072 123.151 121.300 -0.369 0.000 2.425 328 W HA -0.171 4.489 4.660 -0.000 0.000 0.277 328 W C 0.888 177.306 176.519 -0.169 0.000 1.231 328 W CA 0.837 58.066 57.345 -0.193 0.000 1.248 328 W CB -1.521 27.907 29.460 -0.053 0.000 1.117 328 W HN 0.433 nan 8.180 nan 0.000 0.568 329 Y N 1.503 121.315 120.300 -0.814 0.000 2.511 329 Y HA 0.392 4.942 4.550 0.000 0.000 0.279 329 Y C 1.354 177.047 175.900 -0.344 0.000 1.157 329 Y CA -0.391 57.254 58.100 -0.758 0.000 1.300 329 Y CB -1.462 36.236 38.460 -1.270 0.000 1.052 329 Y HN -0.179 nan 8.280 nan 0.000 0.529 330 S N 1.809 117.211 115.700 -0.495 0.000 2.537 330 S HA 0.049 4.520 4.470 0.000 0.000 0.286 330 S C -0.245 174.275 174.600 -0.134 0.000 1.299 330 S CA -0.476 57.569 58.200 -0.258 0.000 1.067 330 S CB 0.180 63.173 63.200 -0.345 0.000 0.864 330 S HN 0.533 nan 8.310 nan 0.000 0.494 331 E N 2.409 122.571 120.200 -0.063 0.000 2.166 331 E HA 0.580 4.930 4.350 0.000 0.000 0.275 331 E C -0.471 176.101 176.600 -0.048 0.000 0.941 331 E CA -0.772 55.609 56.400 -0.032 0.000 0.784 331 E CB 1.701 31.412 29.700 0.019 0.000 1.115 331 E HN 0.693 nan 8.360 nan 0.000 0.399 332 A N 2.027 124.820 122.820 -0.045 0.000 2.303 332 A HA 0.736 5.056 4.320 0.000 0.000 0.317 332 A C -0.267 177.326 177.584 0.016 0.000 1.149 332 A CA -0.449 51.564 52.037 -0.040 0.000 0.822 332 A CB 0.279 19.241 19.000 -0.062 0.000 1.131 332 A HN 0.867 nan 8.150 nan 0.000 0.493 333 c N -0.616 118.021 118.600 0.061 0.000 3.197 333 c HA 0.588 5.158 4.570 0.000 0.000 0.343 333 c C 0.986 175.112 174.090 0.060 0.000 1.291 333 c CA 0.053 56.433 56.329 0.085 0.000 1.191 333 c CB 0.802 43.347 42.510 0.059 0.000 1.444 333 c HN 1.454 nan 8.230 nan 0.000 0.468 334 S N 0.376 116.071 115.700 -0.008 0.000 2.562 334 S HA -0.003 4.467 4.470 0.000 0.000 0.221 334 S C 1.229 175.747 174.600 -0.136 0.000 0.975 334 S CA 1.098 59.101 58.200 -0.328 0.000 0.918 334 S CB -0.472 62.513 63.200 -0.358 0.000 0.772 334 S HN 1.802 nan 8.310 nan 0.000 0.531 335 S N 0.509 116.199 115.700 -0.017 0.000 2.528 335 S HA 0.106 4.576 4.470 0.000 0.000 0.219 335 S C 0.728 175.359 174.600 0.051 0.000 0.985 335 S CA -0.175 58.041 58.200 0.027 0.000 0.914 335 S CB -0.804 62.396 63.200 -0.001 0.000 0.776 335 S HN 0.378 nan 8.310 nan 0.000 0.526 336 T N 2.923 117.504 114.554 0.045 0.000 2.940 336 T HA 0.243 4.593 4.350 0.000 0.000 0.309 336 T C 0.750 175.489 174.700 0.064 0.000 1.056 336 T CA -0.057 62.072 62.100 0.049 0.000 1.137 336 T CB 0.992 69.877 68.868 0.029 0.000 0.976 336 T HN 0.158 nan 8.240 nan 0.000 0.547 337 L N 2.535 123.793 121.223 0.058 0.000 2.349 337 L HA 0.612 4.952 4.340 0.000 0.000 0.200 337 L C 0.808 177.724 176.870 0.076 0.000 1.064 337 L CA 1.053 55.928 54.840 0.057 0.000 0.821 337 L CB -0.293 41.757 42.059 -0.017 0.000 1.027 337 L HN 0.806 nan 8.230 nan 0.000 0.476 338 A N -2.360 120.488 122.820 0.048 0.000 2.533 338 A HA 0.780 5.100 4.320 0.000 0.000 0.293 338 A C -0.937 176.677 177.584 0.049 0.000 1.228 338 A CA -0.242 51.825 52.037 0.049 0.000 0.689 338 A CB 0.859 19.859 19.000 0.001 0.000 1.303 338 A HN 0.007 nan 8.150 nan 0.000 0.444 339 T N 0.670 115.242 114.554 0.029 0.000 2.906 339 T HA 0.798 5.148 4.350 0.000 0.000 0.295 339 T C -0.474 174.181 174.700 -0.075 0.000 1.075 339 T CA 0.067 62.174 62.100 0.012 0.000 1.005 339 T CB 1.726 70.625 68.868 0.053 0.000 1.136 339 T HN 1.426 nan 8.240 nan 0.000 0.498 340 T N -0.841 113.662 114.554 -0.086 0.000 2.883 340 T HA 0.657 5.007 4.350 0.000 0.000 0.301 340 T C -1.003 173.620 174.700 -0.128 0.000 1.158 340 T CA -0.812 61.210 62.100 -0.129 0.000 1.007 340 T CB 0.703 69.531 68.868 -0.067 0.000 1.186 340 T HN 0.463 nan 8.240 nan 0.000 0.499 341 Y N 0.878 121.163 120.300 -0.025 0.000 2.426 341 Y HA 0.508 5.059 4.550 0.000 0.000 0.344 341 Y C 1.465 177.319 175.900 -0.078 0.000 1.256 341 Y CA 0.815 58.923 58.100 0.014 0.000 1.451 341 Y CB 1.049 39.503 38.460 -0.011 0.000 1.342 341 Y HN 0.973 nan 8.280 nan 0.000 0.600 342 S N -0.398 115.473 115.700 0.286 0.000 2.815 342 S HA 0.380 4.850 4.470 0.000 0.000 0.296 342 S C -1.027 173.754 174.600 0.302 0.000 1.224 342 S CA -0.473 57.814 58.200 0.145 0.000 0.938 342 S CB -0.029 63.227 63.200 0.094 0.000 1.285 342 S HN 0.729 nan 8.310 nan 0.000 0.549 343 S N -0.029 115.802 115.700 0.218 0.000 2.589 343 S HA 0.712 5.182 4.470 0.000 0.000 0.265 343 S C 0.610 175.372 174.600 0.271 0.000 1.342 343 S CA 0.329 58.672 58.200 0.238 0.000 1.005 343 S CB 0.619 63.923 63.200 0.175 0.000 0.909 343 S HN 1.271 nan 8.310 nan 0.000 0.555 344 G N 1.168 110.080 108.800 0.187 0.000 3.265 344 G HA2 0.455 4.415 3.960 0.000 0.000 0.171 344 G HA3 0.455 4.415 3.960 0.000 0.000 0.171 344 G C -0.488 174.548 174.900 0.227 0.000 1.110 344 G CA -0.403 44.785 45.100 0.147 0.000 0.855 344 G HN 0.907 nan 8.290 nan 0.000 0.658 345 N N -0.292 118.469 118.700 0.102 0.000 2.366 345 N HA 0.146 4.886 4.740 0.000 0.000 0.277 345 N C 0.981 176.516 175.510 0.041 0.000 1.275 345 N CA -0.107 53.003 53.050 0.101 0.000 0.964 345 N CB 0.446 38.971 38.487 0.062 0.000 1.167 345 N HN 0.482 nan 8.380 nan 0.000 0.568 346 Q N -1.417 118.402 119.800 0.031 0.000 2.368 346 Q HA -0.073 4.267 4.340 0.000 0.000 0.210 346 Q C 0.212 176.213 176.000 0.003 0.000 0.982 346 Q CA 1.256 57.072 55.803 0.021 0.000 0.884 346 Q CB -0.348 28.399 28.738 0.014 0.000 0.933 346 Q HN 0.595 nan 8.270 nan 0.000 0.460 347 N N 0.035 118.729 118.700 -0.009 0.000 2.280 347 N HA 0.042 4.782 4.740 0.000 0.000 0.192 347 N C -0.812 174.621 175.510 -0.129 0.000 1.109 347 N CA 0.257 53.308 53.050 0.002 0.000 0.855 347 N CB 0.624 39.178 38.487 0.112 0.000 0.974 347 N HN 0.197 nan 8.380 nan 0.000 0.482 348 E N 0.333 120.360 120.200 -0.287 0.000 2.207 348 E HA 0.285 4.635 4.350 0.000 0.000 0.270 348 E C -0.295 176.105 176.600 -0.333 0.000 0.927 348 E CA -0.937 55.127 56.400 -0.560 0.000 0.799 348 E CB 1.426 30.651 29.700 -0.791 0.000 1.172 348 E HN -0.101 nan 8.360 nan 0.000 0.404 349 K N 1.733 121.852 120.400 -0.469 0.000 2.187 349 K HA 0.139 4.459 4.320 0.000 0.000 0.247 349 K C 0.199 176.861 176.600 0.103 0.000 1.019 349 K CA 0.185 56.330 56.287 -0.237 0.000 0.893 349 K CB 0.438 32.636 32.500 -0.503 0.000 1.025 349 K HN 0.536 nan 8.250 nan 0.000 0.500 350 Q N 0.068 120.084 119.800 0.361 0.000 3.105 350 Q HA 0.477 4.817 4.340 0.000 0.000 0.280 350 Q C -0.200 176.072 176.000 0.453 0.000 1.042 350 Q CA -1.153 54.880 55.803 0.384 0.000 0.857 350 Q CB 0.938 29.804 28.738 0.214 0.000 1.468 350 Q HN 0.279 nan 8.270 nan 0.000 0.494 351 I N 1.529 122.214 120.570 0.191 0.000 2.396 351 I HA 0.221 4.391 4.170 0.000 0.000 0.292 351 I C -0.153 176.090 176.117 0.210 0.000 0.999 351 I CA -0.454 60.879 61.300 0.055 0.000 1.310 351 I CB 1.005 38.890 38.000 -0.191 0.000 1.404 351 I HN 0.280 nan 8.210 nan 0.000 0.496 352 V N 5.723 125.820 119.914 0.306 0.000 2.407 352 V HA 0.634 4.754 4.120 0.000 0.000 0.278 352 V C 0.326 176.530 176.094 0.183 0.000 1.037 352 V CA -0.041 62.399 62.300 0.234 0.000 0.900 352 V CB 1.451 33.408 31.823 0.224 0.000 0.983 352 V HN 0.986 nan 8.190 nan 0.000 0.459 353 T N 2.274 116.888 114.554 0.100 0.000 2.693 353 T HA 0.395 4.745 4.350 0.000 0.000 0.304 353 T C -0.438 174.239 174.700 -0.039 0.000 1.471 353 T CA 0.018 62.136 62.100 0.030 0.000 0.993 353 T CB 1.778 70.639 68.868 -0.011 0.000 1.554 353 T HN 0.822 nan 8.240 nan 0.000 0.496 354 T N 1.491 115.961 114.554 -0.140 0.000 2.851 354 T HA 0.542 4.892 4.350 0.000 0.000 0.298 354 T C -0.435 174.145 174.700 -0.201 0.000 0.977 354 T CA -0.465 61.456 62.100 -0.299 0.000 1.126 354 T CB 0.790 69.214 68.868 -0.740 0.000 0.916 354 T HN 0.519 nan 8.240 nan 0.000 0.529 355 D N 1.319 121.708 120.400 -0.018 0.000 2.414 355 D HA 0.431 5.071 4.640 0.000 0.000 0.241 355 D C 0.301 176.683 176.300 0.136 0.000 1.008 355 D CA -1.024 52.987 54.000 0.019 0.000 1.001 355 D CB 1.480 42.302 40.800 0.037 0.000 1.277 355 D HN 0.565 nan 8.370 nan 0.000 0.538 356 L N 1.319 122.593 121.223 0.085 0.000 2.483 356 L HA 0.100 4.440 4.340 0.000 0.000 0.277 356 L C 0.914 177.899 176.870 0.192 0.000 1.248 356 L CA 0.225 55.150 54.840 0.140 0.000 0.825 356 L CB 0.147 42.241 42.059 0.059 0.000 1.096 356 L HN 0.646 nan 8.230 nan 0.000 0.512 357 R N 1.265 121.926 120.500 0.268 0.000 3.531 357 R HA -0.214 4.126 4.340 0.000 0.000 0.280 357 R C 0.151 176.463 176.300 0.020 0.000 1.130 357 R CA 0.632 56.817 56.100 0.140 0.000 0.757 357 R CB -1.792 28.575 30.300 0.111 0.000 1.218 357 R HN 0.734 nan 8.270 nan 0.000 0.454 358 Q N -2.094 117.677 119.800 -0.047 0.000 2.461 358 Q HA -0.264 4.076 4.340 0.000 0.000 0.264 358 Q C -0.367 175.517 176.000 -0.194 0.000 1.085 358 Q CA 1.713 57.264 55.803 -0.419 0.000 1.006 358 Q CB -0.629 27.910 28.738 -0.332 0.000 1.437 358 Q HN 0.542 nan 8.270 nan 0.000 0.514 359 K N -0.282 120.175 120.400 0.095 0.000 2.240 359 K HA 0.635 4.955 4.320 0.000 0.000 0.237 359 K C -0.281 176.457 176.600 0.230 0.000 1.027 359 K CA -0.511 55.850 56.287 0.123 0.000 0.937 359 K CB 1.610 34.163 32.500 0.088 0.000 1.171 359 K HN 0.178 nan 8.250 nan 0.000 0.479 360 c N 0.622 119.304 118.600 0.137 0.000 2.441 360 c HA 0.535 5.105 4.570 0.000 0.000 0.318 360 c C -0.196 173.944 174.090 0.084 0.000 1.222 360 c CA -0.129 56.271 56.329 0.118 0.000 1.474 360 c CB 1.004 43.581 42.510 0.111 0.000 2.125 360 c HN 0.774 nan 8.230 nan 0.000 0.479 361 T N 2.721 117.315 114.554 0.068 0.000 2.912 361 T HA 0.509 4.859 4.350 0.000 0.000 0.288 361 T C 0.176 174.933 174.700 0.095 0.000 1.030 361 T CA -0.221 61.920 62.100 0.069 0.000 1.020 361 T CB 1.430 70.324 68.868 0.042 0.000 1.056 361 T HN 0.829 nan 8.240 nan 0.000 0.480 362 E N 1.261 121.527 120.200 0.110 0.000 2.660 362 E HA 0.167 4.517 4.350 0.000 0.000 0.216 362 E C 0.143 176.839 176.600 0.160 0.000 0.986 362 E CA -0.169 56.319 56.400 0.146 0.000 1.037 362 E CB 0.734 30.515 29.700 0.135 0.000 1.041 362 E HN 0.574 nan 8.360 nan 0.000 0.480 363 S N -0.495 115.289 115.700 0.141 0.000 2.668 363 S HA 0.149 4.619 4.470 0.000 0.000 0.244 363 S C -0.289 174.414 174.600 0.172 0.000 1.140 363 S CA -0.632 57.655 58.200 0.145 0.000 1.134 363 S CB -0.342 62.927 63.200 0.115 0.000 0.954 363 S HN 0.270 nan 8.310 nan 0.000 0.490 364 H N 2.134 121.226 119.070 0.038 0.000 2.652 364 H HA 0.454 5.010 4.556 0.000 0.000 0.349 364 H C 0.336 175.652 175.328 -0.021 0.000 1.099 364 H CA 0.532 56.571 56.048 -0.014 0.000 1.417 364 H CB 0.882 30.612 29.762 -0.054 0.000 1.457 364 H HN 0.597 nan 8.280 nan 0.000 0.568 365 T N 1.360 115.816 114.554 -0.163 0.000 2.804 365 T HA 0.614 4.964 4.350 0.000 0.000 0.290 365 T C 0.338 174.730 174.700 -0.514 0.000 1.099 365 T CA -0.167 61.779 62.100 -0.256 0.000 1.011 365 T CB 1.531 70.349 68.868 -0.083 0.000 1.291 365 T HN 1.004 nan 8.240 nan 0.000 0.523 366 G N 0.387 108.735 108.800 -0.755 0.000 2.855 366 G HA2 -0.127 3.833 3.960 0.000 0.000 0.352 366 G HA3 -0.127 3.833 3.960 0.000 0.000 0.352 366 G C 0.743 175.281 174.900 -0.603 0.000 1.415 366 G CA 0.613 45.011 45.100 -1.169 0.000 0.871 366 G HN 2.006 nan 8.290 nan 0.000 0.543 367 T N -2.348 111.970 114.554 -0.394 0.000 3.051 367 T HA 0.069 4.419 4.350 0.000 0.000 0.269 367 T C 2.302 176.922 174.700 -0.133 0.000 1.127 367 T CA 2.014 64.049 62.100 -0.108 0.000 1.107 367 T CB -0.087 68.787 68.868 0.010 0.000 0.898 367 T HN 0.815 nan 8.240 nan 0.000 0.517 368 S N 1.136 116.723 115.700 -0.189 0.000 2.474 368 S HA 0.241 4.711 4.470 0.000 0.000 0.235 368 S C 2.346 176.807 174.600 -0.231 0.000 0.997 368 S CA 0.649 58.770 58.200 -0.132 0.000 0.949 368 S CB -0.391 62.786 63.200 -0.038 0.000 0.766 368 S HN 0.788 nan 8.310 nan 0.000 0.517 369 A N 0.505 123.081 122.820 -0.406 0.000 2.030 369 A HA 0.158 4.478 4.320 0.000 0.000 0.215 369 A C 2.193 179.658 177.584 -0.198 0.000 1.164 369 A CA 0.810 52.618 52.037 -0.381 0.000 0.697 369 A CB -0.383 18.280 19.000 -0.562 0.000 0.827 369 A HN 0.392 nan 8.150 nan 0.000 0.457 370 S N 0.189 115.797 115.700 -0.154 0.000 2.371 370 S HA 0.028 4.498 4.470 0.000 0.000 0.224 370 S C 2.330 176.897 174.600 -0.055 0.000 1.029 370 S CA 1.029 59.177 58.200 -0.087 0.000 0.978 370 S CB -0.345 62.834 63.200 -0.035 0.000 0.833 370 S HN 0.743 nan 8.310 nan 0.000 0.466 371 A N 2.725 125.515 122.820 -0.050 0.000 1.865 371 A HA -0.044 4.276 4.320 0.000 0.000 0.217 371 A C 0.120 177.688 177.584 -0.026 0.000 1.191 371 A CA 1.548 53.566 52.037 -0.032 0.000 0.623 371 A CB -1.780 17.181 19.000 -0.064 0.000 0.826 371 A HN 0.452 nan 8.150 nan 0.000 0.444 372 P HA -0.127 nan 4.420 nan 0.000 0.217 372 P C 1.577 178.878 177.300 0.002 0.000 1.150 372 P CA 0.930 64.025 63.100 -0.008 0.000 0.832 372 P CB -0.206 31.494 31.700 0.001 0.000 0.787 373 L N -0.522 120.692 121.223 -0.015 0.000 2.083 373 L HA -0.140 4.200 4.340 0.000 0.000 0.209 373 L C 2.777 179.648 176.870 0.002 0.000 1.083 373 L CA 1.581 56.421 54.840 -0.001 0.000 0.752 373 L CB -1.106 40.927 42.059 -0.044 0.000 0.899 373 L HN -0.040 nan 8.230 nan 0.000 0.433 374 A N -0.088 122.726 122.820 -0.010 0.000 1.930 374 A HA -0.113 4.207 4.320 0.000 0.000 0.217 374 A C 2.537 180.120 177.584 -0.002 0.000 1.175 374 A CA 1.501 53.532 52.037 -0.009 0.000 0.627 374 A CB -0.603 18.396 19.000 -0.003 0.000 0.815 374 A HN 0.386 nan 8.150 nan 0.000 0.443 375 A N -0.325 122.499 122.820 0.007 0.000 1.902 375 A HA 0.099 4.419 4.320 0.000 0.000 0.217 375 A C 2.394 179.980 177.584 0.005 0.000 1.181 375 A CA 1.971 54.015 52.037 0.011 0.000 0.623 375 A CB -1.372 17.637 19.000 0.014 0.000 0.818 375 A HN 0.697 nan 8.150 nan 0.000 0.443 376 G N 0.039 108.849 108.800 0.017 0.000 2.421 376 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 376 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 376 G C 1.520 176.428 174.900 0.012 0.000 1.171 376 G CA 1.107 46.225 45.100 0.031 0.000 0.775 376 G HN 0.473 nan 8.290 nan 0.000 0.543 377 I N 0.557 121.125 120.570 -0.002 0.000 2.286 377 I HA -0.131 4.039 4.170 0.000 0.000 0.248 377 I C 2.566 178.648 176.117 -0.058 0.000 1.115 377 I CA 0.835 62.114 61.300 -0.035 0.000 1.392 377 I CB -0.156 37.816 38.000 -0.047 0.000 1.065 377 I HN 0.170 nan 8.210 nan 0.000 0.418 378 I N 0.541 121.083 120.570 -0.048 0.000 2.546 378 I HA -0.194 3.976 4.170 0.000 0.000 0.255 378 I C 2.729 178.803 176.117 -0.072 0.000 1.163 378 I CA 0.865 62.128 61.300 -0.062 0.000 1.457 378 I CB -0.333 37.648 38.000 -0.033 0.000 1.092 378 I HN 0.154 nan 8.210 nan 0.000 0.434 379 A N 1.144 123.933 122.820 -0.053 0.000 1.898 379 A HA -0.117 4.203 4.320 0.000 0.000 0.216 379 A C 2.272 179.808 177.584 -0.080 0.000 1.181 379 A CA 1.165 53.163 52.037 -0.065 0.000 0.620 379 A CB -0.660 18.317 19.000 -0.038 0.000 0.819 379 A HN 0.349 nan 8.150 nan 0.000 0.442 380 L N -0.650 120.536 121.223 -0.061 0.000 2.046 380 L HA -0.163 4.177 4.340 0.000 0.000 0.208 380 L C 2.749 179.501 176.870 -0.197 0.000 1.077 380 L CA 1.811 56.613 54.840 -0.062 0.000 0.747 380 L CB -1.216 40.830 42.059 -0.021 0.000 0.896 380 L HN 0.339 nan 8.230 nan 0.000 0.432 381 T N 0.386 114.822 114.554 -0.197 0.000 2.746 381 T HA -0.169 4.182 4.350 0.000 0.000 0.267 381 T C 2.019 176.570 174.700 -0.249 0.000 1.039 381 T CA 1.145 63.092 62.100 -0.255 0.000 1.142 381 T CB -0.209 68.540 68.868 -0.198 0.000 0.866 381 T HN 0.196 nan 8.240 nan 0.000 0.444 382 L N 0.588 121.699 121.223 -0.188 0.000 2.093 382 L HA -0.088 4.252 4.340 0.000 0.000 0.208 382 L C 2.837 179.601 176.870 -0.177 0.000 1.085 382 L CA 1.410 56.144 54.840 -0.176 0.000 0.755 382 L CB -0.419 41.525 42.059 -0.191 0.000 0.904 382 L HN 0.390 nan 8.230 nan 0.000 0.435 383 E N 0.347 120.451 120.200 -0.160 0.000 2.077 383 E HA -0.247 4.103 4.350 0.000 0.000 0.193 383 E C 2.099 178.643 176.600 -0.092 0.000 0.989 383 E CA 1.201 57.567 56.400 -0.058 0.000 0.800 383 E CB 0.008 29.762 29.700 0.089 0.000 0.746 383 E HN 0.460 nan 8.360 nan 0.000 0.452 384 A N 0.659 123.209 122.820 -0.449 0.000 2.067 384 A HA -0.107 4.213 4.320 0.000 0.000 0.219 384 A C 1.047 178.494 177.584 -0.228 0.000 1.158 384 A CA 1.122 52.751 52.037 -0.680 0.000 0.661 384 A CB -0.013 18.267 19.000 -1.201 0.000 0.801 384 A HN 0.301 nan 8.150 nan 0.000 0.452 385 N N -0.806 117.796 118.700 -0.163 0.000 2.969 385 N HA 0.085 4.825 4.740 0.000 0.000 0.230 385 N C -0.182 175.294 175.510 -0.057 0.000 1.397 385 N CA -0.285 52.724 53.050 -0.068 0.000 0.762 385 N CB 0.447 38.907 38.487 -0.045 0.000 1.495 385 N HN 0.154 nan 8.380 nan 0.000 0.583 386 K N 0.540 120.916 120.400 -0.040 0.000 2.519 386 K HA 0.048 4.368 4.320 0.000 0.000 0.196 386 K C 0.280 176.882 176.600 0.003 0.000 1.041 386 K CA 0.498 56.759 56.287 -0.043 0.000 0.954 386 K CB 0.252 32.732 32.500 -0.034 0.000 0.774 386 K HN 0.336 nan 8.250 nan 0.000 0.480 387 N N 0.823 119.538 118.700 0.025 0.000 2.270 387 N HA 0.078 4.819 4.740 0.000 0.000 0.198 387 N C 0.019 175.576 175.510 0.077 0.000 1.117 387 N CA 0.116 53.200 53.050 0.056 0.000 0.845 387 N CB 0.204 38.728 38.487 0.060 0.000 0.980 387 N HN 0.108 nan 8.380 nan 0.000 0.486 388 L N 1.339 122.595 121.223 0.055 0.000 2.455 388 L HA 0.071 4.412 4.340 0.000 0.000 0.272 388 L C 1.325 178.246 176.870 0.084 0.000 1.174 388 L CA -0.092 54.782 54.840 0.058 0.000 0.869 388 L CB 0.312 42.352 42.059 -0.031 0.000 1.130 388 L HN 0.100 nan 8.230 nan 0.000 0.474 389 T N -0.958 113.659 114.554 0.105 0.000 2.788 389 T HA 0.068 4.418 4.350 0.000 0.000 0.280 389 T C 1.274 176.061 174.700 0.145 0.000 0.984 389 T CA -0.655 61.531 62.100 0.143 0.000 0.972 389 T CB 0.835 69.764 68.868 0.102 0.000 1.039 389 T HN 0.758 nan 8.240 nan 0.000 0.530 390 W N 0.850 122.222 121.300 0.120 0.000 2.364 390 W HA -0.075 4.585 4.660 0.000 0.000 0.281 390 W C 1.597 178.214 176.519 0.163 0.000 1.219 390 W CA 0.571 57.990 57.345 0.124 0.000 1.220 390 W CB -0.931 28.618 29.460 0.148 0.000 1.127 390 W HN 0.643 nan 8.180 nan 0.000 0.556 391 R N 0.572 120.695 120.500 -0.630 0.000 2.075 391 R HA -0.088 4.253 4.340 0.000 0.000 0.226 391 R C 1.880 178.200 176.300 0.034 0.000 1.114 391 R CA 1.430 57.245 56.100 -0.474 0.000 0.972 391 R CB -0.475 29.467 30.300 -0.596 0.000 0.869 391 R HN -0.011 nan 8.270 nan 0.000 0.437 392 D N 0.918 121.340 120.400 0.036 0.000 2.116 392 D HA -0.215 4.425 4.640 0.000 0.000 0.193 392 D C 1.746 177.932 176.300 -0.189 0.000 0.998 392 D CA 1.380 55.394 54.000 0.024 0.000 0.836 392 D CB -0.087 40.734 40.800 0.035 0.000 0.951 392 D HN 0.017 nan 8.370 nan 0.000 0.449 393 M N 0.802 120.331 119.600 -0.119 0.000 2.108 393 M HA -0.177 4.303 4.480 0.000 0.000 0.261 393 M C 1.933 178.129 176.300 -0.172 0.000 1.066 393 M CA 1.571 56.784 55.300 -0.146 0.000 1.107 393 M CB -0.277 32.305 32.600 -0.030 0.000 1.356 393 M HN -0.031 nan 8.290 nan 0.000 0.406 394 Q N -1.550 118.182 119.800 -0.114 0.000 2.119 394 Q HA -0.183 4.157 4.340 0.000 0.000 0.201 394 Q C 2.138 177.855 176.000 -0.472 0.000 0.972 394 Q CA 1.311 56.961 55.803 -0.254 0.000 0.847 394 Q CB -0.341 28.316 28.738 -0.136 0.000 0.903 394 Q HN 0.661 nan 8.270 nan 0.000 0.433 395 H N 0.501 119.426 119.070 -0.242 0.000 2.353 395 H HA -0.088 4.468 4.556 0.000 0.000 0.300 395 H C 2.216 177.260 175.328 -0.473 0.000 1.090 395 H CA 1.152 57.067 56.048 -0.222 0.000 1.327 395 H CB 0.027 29.792 29.762 0.005 0.000 1.383 395 H HN 0.235 nan 8.280 nan 0.000 0.508 396 L N 0.046 120.982 121.223 -0.479 0.000 2.046 396 L HA -0.150 4.190 4.340 0.000 0.000 0.208 396 L C 2.704 179.363 176.870 -0.352 0.000 1.077 396 L CA 0.666 55.209 54.840 -0.495 0.000 0.747 396 L CB -0.432 41.321 42.059 -0.509 0.000 0.896 396 L HN 0.063 nan 8.230 nan 0.000 0.432 397 V N -0.618 119.089 119.914 -0.346 0.000 2.343 397 V HA -0.227 3.893 4.120 0.000 0.000 0.247 397 V C 2.444 178.316 176.094 -0.370 0.000 1.051 397 V CA 1.402 63.524 62.300 -0.298 0.000 1.036 397 V CB -0.179 31.488 31.823 -0.260 0.000 0.654 397 V HN 0.195 nan 8.190 nan 0.000 0.451 398 V N -0.423 119.130 119.914 -0.600 0.000 2.343 398 V HA -0.294 3.826 4.120 0.000 0.000 0.247 398 V C 2.391 178.142 176.094 -0.572 0.000 1.051 398 V CA 1.988 63.751 62.300 -0.896 0.000 1.036 398 V CB -0.668 30.289 31.823 -1.443 0.000 0.654 398 V HN 0.588 nan 8.190 nan 0.000 0.451 399 Q N -0.105 119.482 119.800 -0.355 0.000 2.187 399 Q HA -0.111 4.229 4.340 0.000 0.000 0.199 399 Q C 2.246 178.165 176.000 -0.134 0.000 0.957 399 Q CA 1.809 57.503 55.803 -0.180 0.000 0.857 399 Q CB -0.111 28.584 28.738 -0.071 0.000 0.929 399 Q HN 0.836 nan 8.270 nan 0.000 0.453 400 T N -3.174 111.286 114.554 -0.157 0.000 3.022 400 T HA 0.162 4.512 4.350 0.000 0.000 0.250 400 T C 0.887 175.531 174.700 -0.094 0.000 1.060 400 T CA -0.333 61.699 62.100 -0.113 0.000 1.013 400 T CB 0.326 69.122 68.868 -0.121 0.000 0.982 400 T HN -0.134 nan 8.240 nan 0.000 0.508 401 S N 2.579 118.222 115.700 -0.094 0.000 2.562 401 S HA 0.330 4.800 4.470 0.000 0.000 0.281 401 S C -0.050 174.529 174.600 -0.035 0.000 1.333 401 S CA -0.484 57.686 58.200 -0.050 0.000 1.052 401 S CB 0.438 63.633 63.200 -0.008 0.000 0.884 401 S HN 0.274 nan 8.310 nan 0.000 0.506 402 K N 3.862 124.231 120.400 -0.052 0.000 2.265 402 K HA 0.275 4.596 4.320 0.000 0.000 0.267 402 K C -1.928 174.592 176.600 -0.133 0.000 0.994 402 K CA -2.404 53.828 56.287 -0.092 0.000 0.860 402 K CB 1.262 33.710 32.500 -0.086 0.000 1.099 402 K HN 0.308 nan 8.250 nan 0.000 0.448 403 P HA -0.066 nan 4.420 nan 0.000 0.227 403 P C 0.235 177.234 177.300 -0.501 0.000 1.161 403 P CA 0.327 63.088 63.100 -0.565 0.000 0.788 403 P CB 0.299 31.284 31.700 -1.192 0.000 0.822 404 A N 1.267 123.846 122.820 -0.401 0.000 2.587 404 A HA -0.031 4.289 4.320 0.000 0.000 0.235 404 A C 0.705 178.123 177.584 -0.277 0.000 1.044 404 A CA 0.718 52.502 52.037 -0.422 0.000 0.754 404 A CB -0.997 17.723 19.000 -0.467 0.000 0.968 404 A HN 0.401 nan 8.150 nan 0.000 0.509 405 H N -1.537 117.490 119.070 -0.073 0.000 3.642 405 H HA -0.150 4.406 4.556 0.000 0.000 0.185 405 H C -0.612 174.738 175.328 0.037 0.000 0.992 405 H CA 1.183 57.237 56.048 0.009 0.000 1.216 405 H CB -1.610 28.184 29.762 0.054 0.000 1.055 405 H HN 0.468 nan 8.280 nan 0.000 0.351 406 L N 2.932 124.207 121.223 0.086 0.000 2.265 406 L HA 0.294 4.634 4.340 0.000 0.000 0.289 406 L C 0.356 177.444 176.870 0.364 0.000 1.033 406 L CA -0.150 54.715 54.840 0.041 0.000 0.814 406 L CB 1.005 42.876 42.059 -0.313 0.000 1.203 406 L HN 0.074 nan 8.230 nan 0.000 0.423 407 N N 3.709 122.625 118.700 0.361 0.000 2.472 407 N HA 0.712 5.452 4.740 0.000 0.000 0.277 407 N C -0.496 175.301 175.510 0.479 0.000 1.081 407 N CA -0.169 53.127 53.050 0.410 0.000 0.973 407 N CB 1.881 40.532 38.487 0.273 0.000 1.105 407 N HN 0.648 nan 8.380 nan 0.000 0.470 408 A N 1.116 124.167 122.820 0.385 0.000 2.605 408 A HA 0.362 4.682 4.320 0.000 0.000 0.294 408 A C -0.736 176.899 177.584 0.084 0.000 1.062 408 A CA -0.676 51.419 52.037 0.096 0.000 0.682 408 A CB 1.022 19.872 19.000 -0.251 0.000 1.278 408 A HN 0.434 nan 8.150 nan 0.000 0.410 409 D N 0.717 121.119 120.400 0.003 0.000 2.328 409 D HA 0.083 4.723 4.640 0.000 0.000 0.221 409 D C 0.218 176.528 176.300 0.018 0.000 1.072 409 D CA 0.999 55.021 54.000 0.036 0.000 0.850 409 D CB 0.488 41.300 40.800 0.020 0.000 0.922 409 D HN 0.609 nan 8.370 nan 0.000 0.516 410 D N -1.184 119.184 120.400 -0.054 0.000 2.599 410 D HA -0.061 4.580 4.640 0.000 0.000 0.249 410 D C -0.265 176.043 176.300 0.013 0.000 1.313 410 D CA -0.646 53.342 54.000 -0.019 0.000 0.815 410 D CB -0.950 39.832 40.800 -0.029 0.000 1.077 410 D HN 0.047 nan 8.370 nan 0.000 0.492 411 W N 1.647 122.984 121.300 0.062 0.000 2.397 411 W HA 0.421 5.082 4.660 0.000 0.000 0.327 411 W C 0.520 177.050 176.519 0.019 0.000 1.421 411 W CA -0.244 57.121 57.345 0.033 0.000 1.288 411 W CB 0.852 30.331 29.460 0.031 0.000 1.312 411 W HN 0.095 nan 8.180 nan 0.000 0.559 412 A N 2.903 125.894 122.820 0.286 0.000 2.435 412 A HA 0.736 5.056 4.320 0.000 0.000 0.304 412 A C -0.589 177.070 177.584 0.125 0.000 1.064 412 A CA -0.738 51.399 52.037 0.167 0.000 0.727 412 A CB 1.196 20.277 19.000 0.135 0.000 1.284 412 A HN 0.314 nan 8.150 nan 0.000 0.415 413 T N 2.040 116.645 114.554 0.085 0.000 2.845 413 T HA 0.258 4.608 4.350 0.000 0.000 0.288 413 T C 0.551 175.286 174.700 0.057 0.000 0.980 413 T CA -0.115 62.021 62.100 0.060 0.000 1.071 413 T CB 0.286 69.178 68.868 0.040 0.000 0.941 413 T HN 0.703 nan 8.240 nan 0.000 0.487 414 N N 0.801 119.541 118.700 0.066 0.000 2.297 414 N HA 0.143 4.883 4.740 0.000 0.000 0.232 414 N C 1.578 177.126 175.510 0.063 0.000 1.311 414 N CA -0.287 52.814 53.050 0.084 0.000 0.897 414 N CB 0.365 38.935 38.487 0.139 0.000 1.137 414 N HN 0.759 nan 8.380 nan 0.000 0.449 415 G N -0.607 108.229 108.800 0.060 0.000 2.679 415 G HA2 -0.086 3.874 3.960 0.000 0.000 0.212 415 G HA3 -0.086 3.874 3.960 0.000 0.000 0.212 415 G C 0.907 175.833 174.900 0.044 0.000 1.137 415 G CA 0.601 45.721 45.100 0.033 0.000 0.787 415 G HN 0.457 nan 8.290 nan 0.000 0.534 416 V N -3.667 116.290 119.914 0.072 0.000 3.176 416 V HA 0.641 4.761 4.120 0.000 0.000 0.332 416 V C 1.365 177.498 176.094 0.065 0.000 1.414 416 V CA 0.230 62.572 62.300 0.070 0.000 1.133 416 V CB -0.308 31.573 31.823 0.096 0.000 1.088 416 V HN 0.801 nan 8.190 nan 0.000 0.473 417 G N 0.990 109.825 108.800 0.057 0.000 2.159 417 G HA2 -0.265 3.695 3.960 0.000 0.000 0.256 417 G HA3 -0.265 3.695 3.960 0.000 0.000 0.256 417 G C 0.336 175.266 174.900 0.050 0.000 0.977 417 G CA 0.430 45.556 45.100 0.043 0.000 0.652 417 G HN 0.640 nan 8.290 nan 0.000 0.531 418 R N 0.212 120.767 120.500 0.092 0.000 2.428 418 R HA 0.482 4.822 4.340 0.000 0.000 0.294 418 R C 0.179 176.538 176.300 0.100 0.000 1.000 418 R CA -0.596 55.576 56.100 0.120 0.000 0.960 418 R CB 0.956 31.396 30.300 0.233 0.000 1.076 418 R HN 0.135 nan 8.270 nan 0.000 0.475 419 K N 1.803 122.236 120.400 0.055 0.000 2.276 419 K HA 0.294 4.614 4.320 0.000 0.000 0.283 419 K C -0.754 175.926 176.600 0.133 0.000 1.044 419 K CA -0.275 56.048 56.287 0.059 0.000 0.944 419 K CB 1.200 33.622 32.500 -0.130 0.000 1.012 419 K HN 0.239 nan 8.250 nan 0.000 0.472 420 V N 1.058 121.034 119.914 0.104 0.000 2.876 420 V HA 0.472 4.592 4.120 0.000 0.000 0.312 420 V C -0.669 175.263 176.094 -0.269 0.000 1.085 420 V CA -0.962 61.161 62.300 -0.295 0.000 0.945 420 V CB 1.878 33.096 31.823 -1.007 0.000 1.017 420 V HN 0.773 nan 8.190 nan 0.000 0.428 421 S N 0.182 115.515 115.700 -0.611 0.000 2.541 421 S HA 0.551 5.021 4.470 0.000 0.000 0.280 421 S C 0.120 174.470 174.600 -0.417 0.000 1.112 421 S CA -0.475 57.312 58.200 -0.688 0.000 0.925 421 S CB 1.412 63.722 63.200 -1.484 0.000 1.067 421 S HN 0.803 nan 8.310 nan 0.000 0.479 422 H N 2.147 121.102 119.070 -0.191 0.000 2.546 422 H HA 0.203 4.759 4.556 0.000 0.000 0.277 422 H C 1.694 176.881 175.328 -0.234 0.000 1.004 422 H CA 1.362 57.352 56.048 -0.097 0.000 1.231 422 H CB 0.325 30.028 29.762 -0.098 0.000 1.382 422 H HN 0.428 nan 8.280 nan 0.000 0.580 423 S N -1.088 114.392 115.700 -0.366 0.000 2.483 423 S HA 0.067 4.537 4.470 0.000 0.000 0.221 423 S C 0.555 174.789 174.600 -0.609 0.000 1.030 423 S CA 0.266 58.113 58.200 -0.588 0.000 0.925 423 S CB 0.315 62.933 63.200 -0.969 0.000 0.795 423 S HN 0.507 nan 8.310 nan 0.000 0.511 424 Y N 0.570 120.708 120.300 -0.269 0.000 2.563 424 Y HA 0.384 4.935 4.550 0.000 0.000 0.250 424 Y C 1.600 177.419 175.900 -0.135 0.000 1.126 424 Y CA -0.258 57.736 58.100 -0.176 0.000 1.231 424 Y CB 0.392 38.770 38.460 -0.137 0.000 1.288 424 Y HN 0.299 nan 8.280 nan 0.000 0.537 425 G N 1.170 109.917 108.800 -0.088 0.000 2.556 425 G HA2 -0.408 3.552 3.960 0.000 0.000 0.283 425 G HA3 -0.408 3.552 3.960 0.000 0.000 0.283 425 G C 0.246 175.011 174.900 -0.225 0.000 1.177 425 G CA 0.853 45.866 45.100 -0.145 0.000 0.978 425 G HN 0.344 nan 8.290 nan 0.000 0.554 426 Y N 2.902 123.190 120.300 -0.020 0.000 2.490 426 Y HA 0.423 4.973 4.550 0.000 0.000 0.281 426 Y C 1.846 177.826 175.900 0.132 0.000 1.174 426 Y CA 1.778 59.895 58.100 0.028 0.000 1.295 426 Y CB 0.162 38.561 38.460 -0.100 0.000 1.062 426 Y HN 1.598 nan 8.280 nan 0.000 0.522 427 G N -0.174 108.795 108.800 0.282 0.000 2.331 427 G HA2 -0.093 3.867 3.960 0.000 0.000 0.479 427 G HA3 -0.093 3.867 3.960 0.000 0.000 0.479 427 G C -1.728 173.198 174.900 0.043 0.000 1.262 427 G CA -1.047 44.186 45.100 0.220 0.000 1.029 427 G HN -0.012 nan 8.290 nan 0.000 0.487 428 L N 0.616 121.803 121.223 -0.060 0.000 2.416 428 L HA 0.626 4.966 4.340 0.000 0.000 0.272 428 L C 0.913 177.734 176.870 -0.082 0.000 1.161 428 L CA -0.379 54.383 54.840 -0.131 0.000 0.845 428 L CB 0.570 42.506 42.059 -0.205 0.000 1.119 428 L HN 0.549 nan 8.230 nan 0.000 0.464 429 L N 3.873 125.046 121.223 -0.084 0.000 2.456 429 L HA 0.159 4.499 4.340 0.000 0.000 0.272 429 L C -0.181 176.652 176.870 -0.063 0.000 1.189 429 L CA 0.131 54.929 54.840 -0.070 0.000 0.846 429 L CB 0.422 42.442 42.059 -0.066 0.000 1.111 429 L HN 0.626 nan 8.230 nan 0.000 0.475 430 D N 1.763 122.122 120.400 -0.069 0.000 2.420 430 D HA 0.332 4.972 4.640 0.000 0.000 0.255 430 D C 0.587 176.838 176.300 -0.080 0.000 1.185 430 D CA -0.301 53.661 54.000 -0.062 0.000 0.904 430 D CB 1.812 42.579 40.800 -0.055 0.000 1.102 430 D HN 0.544 nan 8.370 nan 0.000 0.534 431 A N 3.155 125.920 122.820 -0.091 0.000 1.892 431 A HA -0.104 4.216 4.320 0.000 0.000 0.218 431 A C 2.036 179.558 177.584 -0.103 0.000 1.188 431 A CA 2.149 54.119 52.037 -0.112 0.000 0.631 431 A CB -0.975 17.932 19.000 -0.156 0.000 0.822 431 A HN 0.594 nan 8.150 nan 0.000 0.447 432 G N -0.726 108.021 108.800 -0.089 0.000 2.459 432 G HA2 -0.052 3.908 3.960 0.000 0.000 0.217 432 G HA3 -0.052 3.908 3.960 0.000 0.000 0.217 432 G C 1.789 176.659 174.900 -0.050 0.000 1.183 432 G CA 1.784 46.849 45.100 -0.057 0.000 0.776 432 G HN 0.914 nan 8.290 nan 0.000 0.552 433 A N 0.271 123.058 122.820 -0.056 0.000 1.902 433 A HA 0.047 4.367 4.320 0.000 0.000 0.217 433 A C 2.469 180.004 177.584 -0.082 0.000 1.181 433 A CA 1.915 53.919 52.037 -0.056 0.000 0.623 433 A CB -0.353 18.613 19.000 -0.056 0.000 0.818 433 A HN 0.301 nan 8.150 nan 0.000 0.443 434 M N -0.608 118.927 119.600 -0.108 0.000 2.065 434 M HA -0.140 4.340 4.480 0.000 0.000 0.259 434 M C 2.271 178.472 176.300 -0.165 0.000 1.069 434 M CA 1.481 56.693 55.300 -0.147 0.000 1.110 434 M CB -1.223 31.287 32.600 -0.150 0.000 1.328 434 M HN 0.255 nan 8.290 nan 0.000 0.405 435 V N 0.404 120.218 119.914 -0.167 0.000 2.343 435 V HA -0.265 3.855 4.120 0.000 0.000 0.247 435 V C 2.646 178.644 176.094 -0.160 0.000 1.051 435 V CA 1.883 64.037 62.300 -0.244 0.000 1.036 435 V CB -1.067 30.628 31.823 -0.215 0.000 0.654 435 V HN 0.525 nan 8.190 nan 0.000 0.451 436 A N -0.462 122.319 122.820 -0.066 0.000 1.858 436 A HA -0.200 4.120 4.320 0.000 0.000 0.216 436 A C 2.127 179.707 177.584 -0.007 0.000 1.190 436 A CA 2.115 54.145 52.037 -0.012 0.000 0.617 436 A CB -0.626 18.376 19.000 0.003 0.000 0.827 436 A HN 0.458 nan 8.150 nan 0.000 0.443 437 L N -0.407 120.803 121.223 -0.021 0.000 2.201 437 L HA 0.019 4.359 4.340 0.000 0.000 0.212 437 L C 2.605 179.505 176.870 0.051 0.000 1.105 437 L CA 1.824 56.681 54.840 0.029 0.000 0.775 437 L CB -0.587 41.468 42.059 -0.006 0.000 0.913 437 L HN 0.349 nan 8.230 nan 0.000 0.440 438 A N -1.072 121.712 122.820 -0.061 0.000 1.933 438 A HA -0.238 4.082 4.320 0.000 0.000 0.218 438 A C 2.155 179.752 177.584 0.021 0.000 1.175 438 A CA 1.729 53.722 52.037 -0.073 0.000 0.628 438 A CB -0.469 18.417 19.000 -0.191 0.000 0.814 438 A HN 0.645 nan 8.150 nan 0.000 0.444 439 Q N -0.670 119.127 119.800 -0.005 0.000 2.050 439 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 439 Q C 1.209 177.255 176.000 0.077 0.000 0.980 439 Q CA 1.359 57.181 55.803 0.032 0.000 0.840 439 Q CB -0.240 28.524 28.738 0.044 0.000 0.898 439 Q HN 0.792 nan 8.270 nan 0.000 0.424 440 N N -0.122 118.635 118.700 0.095 0.000 2.575 440 N HA -0.007 4.733 4.740 0.000 0.000 0.275 440 N C -1.242 174.347 175.510 0.132 0.000 1.202 440 N CA -0.348 52.754 53.050 0.086 0.000 0.945 440 N CB 0.301 38.823 38.487 0.059 0.000 1.247 440 N HN 0.217 nan 8.380 nan 0.000 0.510 441 W N 1.717 122.993 121.300 -0.040 0.000 2.429 441 W HA 0.291 4.951 4.660 0.000 0.000 0.314 441 W C -1.036 175.455 176.519 -0.046 0.000 1.062 441 W CA -0.346 56.970 57.345 -0.047 0.000 1.211 441 W CB 1.528 30.956 29.460 -0.053 0.000 1.305 441 W HN -0.053 nan 8.180 nan 0.000 0.476 442 T N 4.038 118.126 114.554 -0.776 0.000 2.743 442 T HA 0.030 4.381 4.350 0.000 0.000 0.293 442 T C 0.397 174.705 174.700 -0.654 0.000 0.945 442 T CA 0.084 61.858 62.100 -0.543 0.000 1.030 442 T CB 1.200 69.788 68.868 -0.466 0.000 0.912 442 T HN 0.377 nan 8.240 nan 0.000 0.483 443 T N 3.704 118.152 114.554 -0.176 0.000 2.905 443 T HA 0.131 4.481 4.350 0.000 0.000 0.299 443 T C 0.852 175.506 174.700 -0.077 0.000 1.024 443 T CA -0.498 61.619 62.100 0.029 0.000 1.151 443 T CB -0.162 68.750 68.868 0.073 0.000 0.987 443 T HN 0.515 nan 8.240 nan 0.000 0.535 444 V N 3.692 123.615 119.914 0.016 0.000 3.139 444 V HA 0.608 4.728 4.120 0.000 0.000 0.307 444 V C 0.917 176.977 176.094 -0.056 0.000 1.095 444 V CA -0.743 61.507 62.300 -0.083 0.000 1.160 444 V CB -0.508 31.259 31.823 -0.093 0.000 1.003 444 V HN 1.117 nan 8.190 nan 0.000 0.489 445 A N 4.535 127.310 122.820 -0.075 0.000 2.429 445 A HA 0.519 4.839 4.320 0.000 0.000 0.242 445 A C -1.590 175.990 177.584 -0.007 0.000 1.088 445 A CA -0.936 51.075 52.037 -0.044 0.000 0.784 445 A CB -0.921 18.045 19.000 -0.057 0.000 1.038 445 A HN 0.983 nan 8.150 nan 0.000 0.501 446 P HA -0.024 nan 4.420 nan 0.000 0.266 446 P C -0.633 176.698 177.300 0.052 0.000 1.195 446 P CA 0.081 63.209 63.100 0.045 0.000 0.768 446 P CB 0.314 32.043 31.700 0.048 0.000 0.838 447 Q N 3.262 123.117 119.800 0.092 0.000 2.297 447 Q HA 0.063 4.403 4.340 0.000 0.000 0.267 447 Q C -0.270 175.803 176.000 0.122 0.000 1.006 447 Q CA -0.236 55.637 55.803 0.117 0.000 0.896 447 Q CB 0.448 29.300 28.738 0.190 0.000 1.186 447 Q HN 0.295 nan 8.270 nan 0.000 0.392 448 R N 3.510 124.058 120.500 0.081 0.000 2.643 448 R HA 0.423 4.763 4.340 0.000 0.000 0.272 448 R C -0.659 175.646 176.300 0.008 0.000 0.995 448 R CA -0.568 55.557 56.100 0.042 0.000 1.032 448 R CB 1.106 31.408 30.300 0.004 0.000 1.126 448 R HN 0.554 nan 8.270 nan 0.000 0.505 449 K N 1.005 121.361 120.400 -0.073 0.000 2.640 449 K HA 0.228 4.548 4.320 0.000 0.000 0.245 449 K C -1.519 174.941 176.600 -0.233 0.000 0.962 449 K CA -0.413 55.705 56.287 -0.282 0.000 0.896 449 K CB 1.310 33.656 32.500 -0.258 0.000 1.147 449 K HN 0.626 nan 8.250 nan 0.000 0.445 450 c N 7.115 125.557 118.600 -0.263 0.000 2.264 450 c HA 0.567 5.137 4.570 0.000 0.000 0.324 450 c C -0.238 173.711 174.090 -0.235 0.000 1.267 450 c CA -0.731 55.486 56.329 -0.187 0.000 1.618 450 c CB -0.758 41.679 42.510 -0.122 0.000 2.278 450 c HN 0.815 nan 8.230 nan 0.000 0.499 451 I N 6.574 127.028 120.570 -0.193 0.000 2.321 451 I HA 0.458 4.628 4.170 0.000 0.000 0.291 451 I C -0.131 175.879 176.117 -0.178 0.000 0.998 451 I CA -0.160 61.024 61.300 -0.194 0.000 1.227 451 I CB 1.463 39.373 38.000 -0.150 0.000 1.368 451 I HN 0.455 nan 8.210 nan 0.000 0.466 452 V N 6.450 126.231 119.914 -0.222 0.000 2.525 452 V HA 0.378 4.498 4.120 0.000 0.000 0.299 452 V C -0.416 175.520 176.094 -0.264 0.000 1.034 452 V CA -0.361 61.805 62.300 -0.223 0.000 0.863 452 V CB 1.875 33.554 31.823 -0.240 0.000 0.999 452 V HN 0.754 nan 8.190 nan 0.000 0.423 453 E N 6.702 126.783 120.200 -0.198 0.000 2.129 453 E HA 0.235 4.586 4.350 0.000 0.000 0.283 453 E C 0.504 176.970 176.600 -0.223 0.000 1.080 453 E CA -0.427 55.859 56.400 -0.189 0.000 0.867 453 E CB 1.276 30.911 29.700 -0.108 0.000 1.056 453 E HN 0.635 nan 8.360 nan 0.000 0.404 454 I N 2.659 123.022 120.570 -0.346 0.000 2.400 454 I HA -0.052 4.119 4.170 0.000 0.000 0.248 454 I C 1.041 177.101 176.117 -0.095 0.000 1.109 454 I CA 0.859 61.965 61.300 -0.325 0.000 1.425 454 I CB -0.486 37.064 38.000 -0.750 0.000 1.094 454 I HN 0.484 nan 8.210 nan 0.000 0.425 455 L N 1.040 122.251 121.223 -0.020 0.000 2.399 455 L HA 0.182 4.523 4.340 0.000 0.000 0.266 455 L C 1.122 178.003 176.870 0.019 0.000 1.114 455 L CA -0.160 54.705 54.840 0.042 0.000 0.804 455 L CB 1.627 43.741 42.059 0.091 0.000 1.146 455 L HN -0.012 nan 8.230 nan 0.000 0.451 456 V N -1.451 118.479 119.914 0.027 0.000 3.432 456 V HA 0.327 4.447 4.120 0.000 0.000 0.298 456 V C -0.011 176.098 176.094 0.026 0.000 1.464 456 V CA 0.093 62.404 62.300 0.018 0.000 1.046 456 V CB -0.089 31.742 31.823 0.013 0.000 0.887 456 V HN 0.974 nan 8.190 nan 0.000 0.441 457 E N -0.529 119.693 120.200 0.037 0.000 2.392 457 E HA 0.520 4.870 4.350 0.000 0.000 0.281 457 E C -3.381 173.250 176.600 0.052 0.000 1.088 457 E CA -1.764 54.659 56.400 0.039 0.000 0.850 457 E CB 0.921 30.641 29.700 0.034 0.000 1.267 457 E HN 0.068 nan 8.360 nan 0.000 0.438 458 P HA 0.220 nan 4.420 nan 0.000 0.272 458 P C -1.239 176.098 177.300 0.063 0.000 1.230 458 P CA -0.364 62.774 63.100 0.063 0.000 0.788 458 P CB 0.497 32.233 31.700 0.061 0.000 0.949 459 K N 1.295 121.737 120.400 0.071 0.000 2.443 459 K HA 0.266 4.586 4.320 0.000 0.000 0.252 459 K C -1.049 175.596 176.600 0.074 0.000 0.933 459 K CA -0.817 55.510 56.287 0.067 0.000 0.792 459 K CB 1.721 34.260 32.500 0.065 0.000 1.185 459 K HN 0.384 nan 8.250 nan 0.000 0.425 460 D N 2.854 123.298 120.400 0.073 0.000 2.417 460 D HA 0.051 4.691 4.640 0.000 0.000 0.250 460 D C 0.821 177.178 176.300 0.096 0.000 1.166 460 D CA 0.189 54.243 54.000 0.089 0.000 0.881 460 D CB 0.652 41.498 40.800 0.076 0.000 1.164 460 D HN 0.422 nan 8.370 nan 0.000 0.467 461 I N 3.102 123.752 120.570 0.135 0.000 2.235 461 I HA 0.068 4.238 4.170 0.000 0.000 0.241 461 I C 2.018 178.225 176.117 0.149 0.000 1.085 461 I CA 0.738 62.115 61.300 0.128 0.000 1.378 461 I CB -0.835 37.261 38.000 0.159 0.000 1.076 461 I HN 0.730 nan 8.210 nan 0.000 0.415 462 G N 1.491 110.419 108.800 0.214 0.000 2.622 462 G HA2 -0.473 3.488 3.960 0.000 0.000 0.307 462 G HA3 -0.473 3.488 3.960 0.000 0.000 0.307 462 G C 0.920 175.931 174.900 0.184 0.000 1.226 462 G CA 1.075 46.283 45.100 0.179 0.000 0.997 462 G HN 0.305 nan 8.290 nan 0.000 0.551 463 K N 0.713 121.182 120.400 0.114 0.000 2.137 463 K HA 0.211 4.531 4.320 0.000 0.000 0.202 463 K C 1.227 177.860 176.600 0.056 0.000 1.052 463 K CA 1.730 58.071 56.287 0.090 0.000 0.961 463 K CB 0.088 32.623 32.500 0.059 0.000 0.741 463 K HN 0.740 nan 8.250 nan 0.000 0.452 464 R N -0.454 120.071 120.500 0.041 0.000 2.594 464 R HA 0.396 4.736 4.340 0.000 0.000 0.265 464 R C -2.205 174.102 176.300 0.011 0.000 1.070 464 R CA -0.810 55.296 56.100 0.010 0.000 0.909 464 R CB 0.886 31.187 30.300 0.002 0.000 1.243 464 R HN 0.083 nan 8.270 nan 0.000 0.455 465 L N 1.935 123.152 121.223 -0.009 0.000 2.431 465 L HA 0.572 4.912 4.340 0.000 0.000 0.266 465 L C -1.563 175.297 176.870 -0.015 0.000 0.978 465 L CA -0.159 54.678 54.840 -0.004 0.000 0.822 465 L CB 2.142 44.199 42.059 -0.004 0.000 1.310 465 L HN 0.794 nan 8.230 nan 0.000 0.409 466 E N 3.454 123.656 120.200 0.002 0.000 2.224 466 E HA 0.652 5.002 4.350 0.000 0.000 0.265 466 E C -1.911 174.710 176.600 0.035 0.000 0.878 466 E CA -0.716 55.688 56.400 0.008 0.000 0.759 466 E CB 2.069 31.774 29.700 0.009 0.000 1.164 466 E HN 0.532 nan 8.360 nan 0.000 0.414 467 V N 5.196 125.143 119.914 0.055 0.000 2.409 467 V HA 0.486 4.606 4.120 0.000 0.000 0.291 467 V C -0.284 175.904 176.094 0.156 0.000 1.020 467 V CA -0.689 61.680 62.300 0.115 0.000 0.848 467 V CB 1.447 33.376 31.823 0.176 0.000 0.990 467 V HN 0.638 nan 8.190 nan 0.000 0.430 468 R N 3.460 124.038 120.500 0.130 0.000 2.514 468 R HA 0.818 5.158 4.340 0.000 0.000 0.301 468 R C -0.872 175.506 176.300 0.130 0.000 0.962 468 R CA -0.974 55.206 56.100 0.133 0.000 0.882 468 R CB 2.305 32.656 30.300 0.085 0.000 1.143 468 R HN 0.581 nan 8.270 nan 0.000 0.452 469 K N 1.079 121.571 120.400 0.153 0.000 2.535 469 K HA 0.462 4.782 4.320 0.000 0.000 0.251 469 K C -1.603 175.075 176.600 0.130 0.000 0.942 469 K CA -0.412 55.940 56.287 0.109 0.000 0.798 469 K CB 2.158 34.696 32.500 0.065 0.000 1.267 469 K HN 0.710 nan 8.250 nan 0.000 0.434 470 A N 3.147 126.018 122.820 0.085 0.000 2.362 470 A HA 0.546 4.866 4.320 0.000 0.000 0.276 470 A C -0.780 176.856 177.584 0.087 0.000 1.153 470 A CA -0.428 51.662 52.037 0.088 0.000 0.813 470 A CB 0.415 19.445 19.000 0.049 0.000 1.081 470 A HN 0.409 nan 8.150 nan 0.000 0.507 471 V N 2.882 122.885 119.914 0.149 0.000 2.495 471 V HA 0.375 4.495 4.120 0.000 0.000 0.298 471 V C 1.221 177.375 176.094 0.099 0.000 1.031 471 V CA 0.277 62.647 62.300 0.116 0.000 0.871 471 V CB 1.711 33.642 31.823 0.180 0.000 0.988 471 V HN 1.079 nan 8.190 nan 0.000 0.432 472 T N 0.644 115.217 114.554 0.032 0.000 3.086 472 T HA 0.301 4.651 4.350 0.000 0.000 0.250 472 T C 0.998 175.706 174.700 0.013 0.000 1.074 472 T CA 0.489 62.593 62.100 0.008 0.000 0.988 472 T CB 0.169 69.009 68.868 -0.047 0.000 0.988 472 T HN 1.857 nan 8.240 nan 0.000 0.530 473 A N 0.086 122.927 122.820 0.035 0.000 2.667 473 A HA -0.137 4.183 4.320 0.000 0.000 0.298 473 A C 1.156 178.772 177.584 0.053 0.000 1.483 473 A CA 0.151 52.224 52.037 0.060 0.000 0.738 473 A CB -2.899 16.195 19.000 0.158 0.000 1.067 473 A HN 1.438 nan 8.150 nan 0.000 0.451 474 c N -2.803 115.777 118.600 -0.034 0.000 4.350 474 c HA -0.157 4.413 4.570 0.000 0.000 0.302 474 c C 0.842 174.839 174.090 -0.155 0.000 1.390 474 c CA 0.543 56.838 56.329 -0.056 0.000 2.016 474 c CB -2.746 39.758 42.510 -0.010 0.000 1.271 474 c HN 1.974 nan 8.230 nan 0.000 0.760 475 L N 0.944 121.973 121.223 -0.322 0.000 2.499 475 L HA 0.498 4.838 4.340 0.000 0.000 0.273 475 L C 1.341 178.033 176.870 -0.297 0.000 1.195 475 L CA 2.294 56.764 54.840 -0.616 0.000 0.882 475 L CB 0.435 42.236 42.059 -0.430 0.000 1.133 475 L HN 1.082 nan 8.230 nan 0.000 0.483 476 G N 2.553 111.208 108.800 -0.241 0.000 2.179 476 G HA2 -0.230 3.730 3.960 0.000 0.000 0.260 476 G HA3 -0.230 3.730 3.960 0.000 0.000 0.260 476 G C 0.171 175.044 174.900 -0.045 0.000 0.977 476 G CA 0.444 45.488 45.100 -0.093 0.000 0.641 476 G HN 0.664 nan 8.290 nan 0.000 0.533 477 E N -0.414 119.766 120.200 -0.033 0.000 2.320 477 E HA 0.457 4.807 4.350 0.000 0.000 0.264 477 E C -1.879 174.743 176.600 0.037 0.000 0.923 477 E CA -2.115 54.283 56.400 -0.003 0.000 0.796 477 E CB 1.707 31.396 29.700 -0.018 0.000 1.262 477 E HN -0.031 nan 8.360 nan 0.000 0.428 478 P HA -0.098 nan 4.420 nan 0.000 0.219 478 P C 0.407 177.732 177.300 0.043 0.000 1.146 478 P CA 1.018 64.139 63.100 0.034 0.000 0.808 478 P CB 0.225 31.938 31.700 0.022 0.000 0.779 479 N N -1.678 117.044 118.700 0.037 0.000 2.313 479 N HA -0.035 4.705 4.740 0.000 0.000 0.207 479 N C 0.249 175.800 175.510 0.069 0.000 1.141 479 N CA 0.012 53.079 53.050 0.029 0.000 0.830 479 N CB -0.585 37.896 38.487 -0.010 0.000 1.008 479 N HN 0.424 nan 8.380 nan 0.000 0.481 480 H N 0.753 119.808 119.070 -0.025 0.000 3.094 480 H HA 0.063 4.620 4.556 0.000 0.000 0.320 480 H C -0.317 175.000 175.328 -0.020 0.000 1.000 480 H CA 0.356 56.391 56.048 -0.022 0.000 1.413 480 H CB 0.581 30.334 29.762 -0.014 0.000 1.405 480 H HN 0.026 nan 8.280 nan 0.000 0.586 481 I N 4.352 124.971 120.570 0.082 0.000 2.509 481 I HA 0.056 4.226 4.170 0.000 0.000 0.293 481 I C 0.900 176.927 176.117 -0.150 0.000 1.020 481 I CA -0.342 60.904 61.300 -0.089 0.000 1.088 481 I CB 2.247 40.239 38.000 -0.014 0.000 1.267 481 I HN 0.742 nan 8.210 nan 0.000 0.430 482 T N 0.830 115.267 114.554 -0.194 0.000 2.986 482 T HA 0.317 4.667 4.350 0.000 0.000 0.264 482 T C 0.686 175.349 174.700 -0.061 0.000 0.964 482 T CA -0.178 61.846 62.100 -0.126 0.000 0.895 482 T CB 0.338 69.095 68.868 -0.185 0.000 1.163 482 T HN 0.429 nan 8.240 nan 0.000 0.517 483 R N 1.250 121.706 120.500 -0.073 0.000 2.468 483 R HA 0.526 4.866 4.340 0.000 0.000 0.302 483 R C -0.964 175.271 176.300 -0.108 0.000 1.041 483 R CA -0.508 55.553 56.100 -0.065 0.000 0.899 483 R CB 1.599 31.863 30.300 -0.061 0.000 1.167 483 R HN 0.295 nan 8.270 nan 0.000 0.483 484 L N 2.268 123.431 121.223 -0.100 0.000 2.464 484 L HA 0.164 4.504 4.340 0.000 0.000 0.264 484 L C 1.166 177.727 176.870 -0.514 0.000 1.199 484 L CA 0.527 55.269 54.840 -0.163 0.000 0.818 484 L CB 0.644 42.699 42.059 -0.006 0.000 1.102 484 L HN 0.631 nan 8.230 nan 0.000 0.473 485 E N -0.625 119.206 120.200 -0.614 0.000 4.156 485 E HA 0.229 4.579 4.350 0.000 0.000 0.223 485 E C -0.755 175.435 176.600 -0.684 0.000 1.107 485 E CA -0.800 54.743 56.400 -1.428 0.000 0.903 485 E CB 0.366 29.373 29.700 -1.154 0.000 2.687 485 E HN 0.519 nan 8.360 nan 0.000 0.517 486 H N 0.093 119.028 119.070 -0.225 0.000 2.615 486 H HA 0.360 4.916 4.556 0.000 0.000 0.363 486 H C -0.672 174.725 175.328 0.115 0.000 1.148 486 H CA -0.154 55.920 56.048 0.042 0.000 1.401 486 H CB 0.904 30.625 29.762 -0.068 0.000 1.461 486 H HN -0.085 nan 8.280 nan 0.000 0.588 487 V N 2.817 122.866 119.914 0.225 0.000 2.577 487 V HA 0.229 4.350 4.120 0.000 0.000 0.303 487 V C -0.620 175.529 176.094 0.091 0.000 1.042 487 V CA -0.772 61.607 62.300 0.133 0.000 0.872 487 V CB 1.632 33.536 31.823 0.134 0.000 0.998 487 V HN 0.755 nan 8.190 nan 0.000 0.423 488 Q N 2.849 122.672 119.800 0.039 0.000 2.316 488 Q HA 0.780 5.120 4.340 0.000 0.000 0.264 488 Q C -0.456 175.555 176.000 0.018 0.000 0.987 488 Q CA -0.646 55.161 55.803 0.007 0.000 0.852 488 Q CB 2.630 31.350 28.738 -0.029 0.000 1.287 488 Q HN 0.854 nan 8.270 nan 0.000 0.448 489 A N 3.363 126.240 122.820 0.095 0.000 2.316 489 A HA 0.378 4.698 4.320 0.000 0.000 0.324 489 A C -0.502 177.217 177.584 0.226 0.000 1.375 489 A CA -0.650 51.520 52.037 0.222 0.000 0.882 489 A CB 0.304 19.397 19.000 0.155 0.000 1.152 489 A HN 0.667 nan 8.150 nan 0.000 0.512 490 R N 2.561 123.180 120.500 0.199 0.000 2.220 490 R HA 0.430 4.770 4.340 0.000 0.000 0.340 490 R C -0.985 175.457 176.300 0.236 0.000 1.076 490 R CA 0.061 56.245 56.100 0.140 0.000 0.920 490 R CB 0.448 30.778 30.300 0.050 0.000 1.062 490 R HN 0.639 nan 8.270 nan 0.000 0.469 491 L N 2.104 123.479 121.223 0.254 0.000 2.334 491 L HA 0.507 4.847 4.340 0.000 0.000 0.276 491 L C 0.015 177.043 176.870 0.262 0.000 1.014 491 L CA -0.743 54.240 54.840 0.238 0.000 0.815 491 L CB 2.238 44.408 42.059 0.184 0.000 1.268 491 L HN 0.456 nan 8.230 nan 0.000 0.428 492 T N 4.236 118.922 114.554 0.219 0.000 2.864 492 T HA 0.686 5.036 4.350 0.000 0.000 0.299 492 T C -0.730 174.087 174.700 0.195 0.000 1.011 492 T CA -0.446 61.782 62.100 0.215 0.000 0.975 492 T CB 1.211 70.174 68.868 0.159 0.000 0.962 492 T HN 0.413 nan 8.240 nan 0.000 0.448 493 L N 0.588 121.949 121.223 0.230 0.000 2.568 493 L HA 1.000 5.340 4.340 0.000 0.000 0.257 493 L C -0.500 176.474 176.870 0.173 0.000 1.024 493 L CA -1.020 53.934 54.840 0.191 0.000 0.854 493 L CB 1.762 43.934 42.059 0.188 0.000 1.460 493 L HN 0.475 nan 8.230 nan 0.000 0.409 494 S N -0.074 115.720 115.700 0.157 0.000 2.500 494 S HA 0.870 5.340 4.470 0.000 0.000 0.301 494 S C -1.171 173.546 174.600 0.194 0.000 1.092 494 S CA -0.542 57.733 58.200 0.125 0.000 1.030 494 S CB 1.426 64.684 63.200 0.096 0.000 1.031 494 S HN 0.845 nan 8.310 nan 0.000 0.483 495 Y N 1.776 122.029 120.300 -0.079 0.000 2.609 495 Y HA 0.372 4.922 4.550 0.000 0.000 0.336 495 Y C 0.730 176.485 175.900 -0.241 0.000 1.129 495 Y CA -1.091 56.915 58.100 -0.156 0.000 1.040 495 Y CB 1.636 40.032 38.460 -0.107 0.000 1.310 495 Y HN 0.792 nan 8.280 nan 0.000 0.460 496 N N 1.377 119.616 118.700 -0.769 0.000 2.333 496 N HA 0.003 4.744 4.740 0.000 0.000 0.178 496 N C -0.105 175.241 175.510 -0.273 0.000 1.018 496 N CA 0.727 53.427 53.050 -0.583 0.000 0.882 496 N CB 0.255 38.144 38.487 -0.996 0.000 0.984 496 N HN 0.410 nan 8.380 nan 0.000 0.434 497 R N 0.656 121.044 120.500 -0.187 0.000 2.513 497 R HA 0.309 4.649 4.340 0.000 0.000 0.283 497 R C 0.747 177.124 176.300 0.130 0.000 1.535 497 R CA -0.401 55.697 56.100 -0.003 0.000 1.315 497 R CB 0.834 31.136 30.300 0.004 0.000 1.163 497 R HN 0.090 nan 8.270 nan 0.000 0.573 498 R N 1.226 121.752 120.500 0.044 0.000 2.096 498 R HA -0.135 4.205 4.340 0.000 0.000 0.240 498 R C 1.517 177.803 176.300 -0.023 0.000 1.139 498 R CA 2.276 58.373 56.100 -0.006 0.000 0.952 498 R CB -0.279 29.909 30.300 -0.186 0.000 0.854 498 R HN 0.696 nan 8.270 nan 0.000 0.436 499 G N -0.277 108.472 108.800 -0.085 0.000 2.527 499 G HA2 -0.215 3.745 3.960 0.000 0.000 0.219 499 G HA3 -0.215 3.745 3.960 0.000 0.000 0.219 499 G C 0.648 175.490 174.900 -0.097 0.000 1.117 499 G CA 0.828 45.857 45.100 -0.118 0.000 0.759 499 G HN 0.349 nan 8.290 nan 0.000 0.556 500 D N -0.167 120.208 120.400 -0.041 0.000 2.347 500 D HA 0.100 4.740 4.640 0.000 0.000 0.213 500 D C 1.264 177.534 176.300 -0.050 0.000 0.985 500 D CA -0.011 53.978 54.000 -0.019 0.000 0.879 500 D CB 0.206 41.050 40.800 0.072 0.000 0.919 500 D HN 0.240 nan 8.370 nan 0.000 0.526 501 L N 0.531 121.691 121.223 -0.104 0.000 2.417 501 L HA 0.442 4.782 4.340 0.000 0.000 0.268 501 L C 0.236 177.016 176.870 -0.150 0.000 1.158 501 L CA -0.542 54.178 54.840 -0.198 0.000 0.819 501 L CB 1.073 42.961 42.059 -0.285 0.000 1.112 501 L HN -0.145 nan 8.230 nan 0.000 0.458 502 A N 4.633 127.353 122.820 -0.167 0.000 2.375 502 A HA 0.770 5.090 4.320 0.000 0.000 0.295 502 A C -0.893 176.562 177.584 -0.216 0.000 1.066 502 A CA -0.405 51.529 52.037 -0.171 0.000 0.722 502 A CB 0.941 19.905 19.000 -0.060 0.000 1.206 502 A HN 0.599 nan 8.150 nan 0.000 0.435 503 I N 2.246 122.582 120.570 -0.391 0.000 2.465 503 I HA 0.470 4.640 4.170 0.000 0.000 0.291 503 I C -0.718 175.080 176.117 -0.532 0.000 1.014 503 I CA -0.526 60.522 61.300 -0.420 0.000 1.093 503 I CB 2.074 39.704 38.000 -0.617 0.000 1.267 503 I HN 0.756 nan 8.210 nan 0.000 0.431 504 H N 4.890 123.824 119.070 -0.227 0.000 2.690 504 H HA 0.688 5.244 4.556 0.000 0.000 0.368 504 H C -1.315 173.948 175.328 -0.107 0.000 1.150 504 H CA -0.707 55.252 56.048 -0.149 0.000 1.174 504 H CB 2.400 32.099 29.762 -0.105 0.000 1.684 504 H HN 0.346 nan 8.280 nan 0.000 0.538 505 L N 3.003 124.277 121.223 0.086 0.000 2.385 505 L HA 0.565 4.905 4.340 0.000 0.000 0.273 505 L C -1.543 175.440 176.870 0.188 0.000 0.990 505 L CA -0.336 54.594 54.840 0.150 0.000 0.821 505 L CB 1.014 43.184 42.059 0.185 0.000 1.279 505 L HN 0.615 nan 8.230 nan 0.000 0.412 506 I N 3.906 124.583 120.570 0.179 0.000 2.389 506 I HA 0.423 4.594 4.170 0.000 0.000 0.288 506 I C 0.226 176.262 176.117 -0.134 0.000 0.999 506 I CA -0.601 60.727 61.300 0.047 0.000 1.129 506 I CB 1.986 39.992 38.000 0.010 0.000 1.288 506 I HN 0.736 nan 8.210 nan 0.000 0.444 507 S N 5.354 120.826 115.700 -0.380 0.000 2.603 507 S HA 0.337 4.807 4.470 0.000 0.000 0.268 507 S C -1.917 172.226 174.600 -0.761 0.000 1.317 507 S CA -0.997 56.545 58.200 -1.095 0.000 1.012 507 S CB 1.091 63.837 63.200 -0.756 0.000 0.926 507 S HN 0.384 nan 8.310 nan 0.000 0.539 508 P HA -0.083 nan 4.420 nan 0.000 0.217 508 P C 0.967 178.111 177.300 -0.261 0.000 1.148 508 P CA 1.508 64.334 63.100 -0.457 0.000 0.828 508 P CB -0.056 31.419 31.700 -0.375 0.000 0.783 509 M N -1.994 117.459 119.600 -0.246 0.000 2.639 509 M HA 0.213 4.693 4.480 0.000 0.000 0.220 509 M C 0.940 177.178 176.300 -0.103 0.000 1.155 509 M CA 0.571 55.793 55.300 -0.130 0.000 1.003 509 M CB -0.571 31.979 32.600 -0.084 0.000 1.725 509 M HN 0.047 nan 8.290 nan 0.000 0.489 510 G N 0.326 109.046 108.800 -0.133 0.000 2.162 510 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 510 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 510 G C 0.125 174.998 174.900 -0.045 0.000 0.976 510 G CA 0.255 45.306 45.100 -0.081 0.000 0.655 510 G HN 0.422 nan 8.290 nan 0.000 0.533 511 T N 0.758 115.282 114.554 -0.049 0.000 2.737 511 T HA 0.424 4.774 4.350 0.000 0.000 0.296 511 T C 0.590 175.320 174.700 0.050 0.000 0.922 511 T CA -0.099 62.016 62.100 0.025 0.000 1.079 511 T CB 1.063 69.966 68.868 0.058 0.000 0.892 511 T HN 0.454 nan 8.240 nan 0.000 0.514 512 R N 2.972 123.525 120.500 0.089 0.000 2.205 512 R HA 0.341 4.681 4.340 0.000 0.000 0.342 512 R C -0.541 175.880 176.300 0.202 0.000 1.058 512 R CA -0.207 55.964 56.100 0.118 0.000 0.904 512 R CB 0.287 30.634 30.300 0.079 0.000 1.089 512 R HN 0.500 nan 8.270 nan 0.000 0.471 513 S N 2.276 118.082 115.700 0.177 0.000 2.462 513 S HA 0.207 4.677 4.470 0.000 0.000 0.294 513 S C -0.488 174.180 174.600 0.114 0.000 1.144 513 S CA -0.526 57.767 58.200 0.154 0.000 1.088 513 S CB 1.897 65.109 63.200 0.021 0.000 1.009 513 S HN 0.505 nan 8.310 nan 0.000 0.484 514 T N 4.664 119.293 114.554 0.125 0.000 2.782 514 T HA 0.216 4.566 4.350 0.000 0.000 0.298 514 T C 1.496 176.042 174.700 -0.257 0.000 0.944 514 T CA -0.258 61.627 62.100 -0.359 0.000 1.001 514 T CB -0.103 68.388 68.868 -0.627 0.000 0.932 514 T HN 0.444 nan 8.240 nan 0.000 0.524 515 L N 2.676 123.703 121.223 -0.327 0.000 2.141 515 L HA 0.177 4.517 4.340 0.000 0.000 0.209 515 L C 0.471 177.183 176.870 -0.264 0.000 1.094 515 L CA 0.839 55.519 54.840 -0.267 0.000 0.763 515 L CB -0.076 41.705 42.059 -0.464 0.000 0.908 515 L HN 0.393 nan 8.230 nan 0.000 0.437 516 L N -0.558 120.423 121.223 -0.404 0.000 2.543 516 L HA 0.641 4.981 4.340 0.000 0.000 0.265 516 L C -0.682 176.019 176.870 -0.282 0.000 0.945 516 L CA -0.311 54.371 54.840 -0.264 0.000 0.869 516 L CB 1.431 43.304 42.059 -0.311 0.000 1.294 516 L HN -0.110 nan 8.230 nan 0.000 0.405 517 A N 3.552 126.268 122.820 -0.174 0.000 2.281 517 A HA 0.933 5.254 4.320 0.000 0.000 0.329 517 A C 0.057 177.585 177.584 -0.093 0.000 1.122 517 A CA -0.174 51.772 52.037 -0.153 0.000 0.850 517 A CB 0.927 19.855 19.000 -0.120 0.000 1.207 517 A HN 1.328 nan 8.150 nan 0.000 0.495 518 A N 0.502 123.266 122.820 -0.094 0.000 2.531 518 A HA 0.449 4.769 4.320 0.000 0.000 0.236 518 A C 0.350 177.883 177.584 -0.086 0.000 1.062 518 A CA 0.275 52.254 52.037 -0.096 0.000 0.760 518 A CB -0.151 18.779 19.000 -0.117 0.000 0.995 518 A HN 0.685 nan 8.150 nan 0.000 0.501 519 R N 3.329 123.775 120.500 -0.091 0.000 2.415 519 R HA 0.257 4.597 4.340 0.000 0.000 0.292 519 R C -2.048 174.138 176.300 -0.191 0.000 1.295 519 R CA -1.600 54.457 56.100 -0.071 0.000 1.137 519 R CB 1.480 31.769 30.300 -0.019 0.000 1.135 519 R HN 0.594 nan 8.270 nan 0.000 0.560 520 P HA -0.217 nan 4.420 nan 0.000 0.220 520 P C 0.289 177.224 177.300 -0.609 0.000 1.144 520 P CA 1.398 64.237 63.100 -0.434 0.000 0.800 520 P CB 0.290 31.706 31.700 -0.473 0.000 0.772 521 H N -1.482 117.444 119.070 -0.241 0.000 2.539 521 H HA 0.126 4.682 4.556 0.000 0.000 0.269 521 H C 0.160 175.236 175.328 -0.421 0.000 0.980 521 H CA 0.069 55.968 56.048 -0.249 0.000 1.152 521 H CB -0.010 29.750 29.762 -0.004 0.000 1.407 521 H HN 0.176 nan 8.280 nan 0.000 0.564 522 D N 0.272 120.449 120.400 -0.372 0.000 2.411 522 D HA 0.007 4.647 4.640 0.000 0.000 0.225 522 D C -0.095 175.966 176.300 -0.399 0.000 1.156 522 D CA -0.396 53.448 54.000 -0.261 0.000 0.874 522 D CB -0.004 40.711 40.800 -0.142 0.000 1.034 522 D HN 0.131 nan 8.370 nan 0.000 0.502 523 Y N 1.387 121.684 120.300 -0.006 0.000 2.507 523 Y HA 0.169 4.719 4.550 -0.000 0.000 0.254 523 Y C 1.533 177.405 175.900 -0.047 0.000 1.171 523 Y CA -0.491 57.596 58.100 -0.022 0.000 1.238 523 Y CB 0.187 38.640 38.460 -0.011 0.000 1.148 523 Y HN 0.246 nan 8.280 nan 0.000 0.525 524 S N 1.035 116.754 115.700 0.032 0.000 2.558 524 S HA 0.196 4.667 4.470 0.000 0.000 0.287 524 S C 1.126 175.693 174.600 -0.054 0.000 1.321 524 S CA 0.468 58.651 58.200 -0.029 0.000 1.048 524 S CB 0.753 63.888 63.200 -0.109 0.000 0.844 524 S HN 0.444 nan 8.310 nan 0.000 0.512 525 A N 3.099 125.885 122.820 -0.057 0.000 2.538 525 A HA 0.304 4.624 4.320 0.000 0.000 0.269 525 A C 0.913 178.451 177.584 -0.077 0.000 1.231 525 A CA -0.257 51.738 52.037 -0.070 0.000 0.948 525 A CB 0.108 19.077 19.000 -0.052 0.000 1.110 525 A HN 0.774 nan 8.150 nan 0.000 0.529 526 D N 0.346 120.682 120.400 -0.107 0.000 2.348 526 D HA 0.254 4.894 4.640 0.000 0.000 0.211 526 D C 1.553 177.762 176.300 -0.153 0.000 0.998 526 D CA 1.336 55.269 54.000 -0.112 0.000 0.873 526 D CB 0.216 40.945 40.800 -0.119 0.000 0.925 526 D HN 0.555 nan 8.370 nan 0.000 0.524 527 G N 0.600 109.258 108.800 -0.237 0.000 2.564 527 G HA2 -0.277 3.683 3.960 0.000 0.000 0.273 527 G HA3 -0.277 3.683 3.960 0.000 0.000 0.273 527 G C -0.417 174.154 174.900 -0.549 0.000 1.242 527 G CA -0.274 44.648 45.100 -0.296 0.000 0.951 527 G HN 0.246 nan 8.290 nan 0.000 0.564 528 F N 0.307 120.284 119.950 0.045 0.000 2.551 528 F HA 0.600 5.127 4.527 0.000 0.000 0.316 528 F C 0.190 176.048 175.800 0.098 0.000 1.089 528 F CA -0.643 57.391 58.000 0.057 0.000 0.915 528 F CB 2.529 41.623 39.000 0.158 0.000 1.186 528 F HN 0.547 nan 8.300 nan 0.000 0.456 529 N N 1.917 120.792 118.700 0.291 0.000 2.626 529 N HA 0.229 4.969 4.740 0.000 0.000 0.249 529 N C -0.861 174.786 175.510 0.229 0.000 1.021 529 N CA -0.193 52.983 53.050 0.210 0.000 0.886 529 N CB 0.508 39.075 38.487 0.133 0.000 1.149 529 N HN 0.588 nan 8.380 nan 0.000 0.517 530 D N 1.825 122.348 120.400 0.205 0.000 2.708 530 D HA -0.234 4.406 4.640 0.000 0.000 0.236 530 D C -1.051 175.328 176.300 0.132 0.000 1.146 530 D CA 0.528 54.613 54.000 0.142 0.000 0.662 530 D CB -0.752 40.098 40.800 0.083 0.000 1.059 530 D HN 0.552 nan 8.370 nan 0.000 0.428 531 W N 0.327 121.599 121.300 -0.047 0.000 2.311 531 W HA 0.538 5.198 4.660 -0.000 0.000 0.310 531 W C -0.055 176.258 176.519 -0.342 0.000 1.274 531 W CA -0.330 56.863 57.345 -0.253 0.000 1.215 531 W CB 0.697 29.909 29.460 -0.413 0.000 1.227 531 W HN 0.219 nan 8.180 nan 0.000 0.523 532 A N 7.610 129.875 122.820 -0.925 0.000 3.015 532 A HA 0.291 4.611 4.320 0.000 0.000 0.293 532 A C -0.795 176.398 177.584 -0.652 0.000 1.572 532 A CA -0.478 51.191 52.037 -0.613 0.000 1.274 532 A CB -0.947 17.751 19.000 -0.505 0.000 1.156 532 A HN 0.510 nan 8.150 nan 0.000 0.562 533 F N 1.736 121.500 119.950 -0.310 0.000 2.578 533 F HA 0.183 4.710 4.527 -0.000 0.000 0.376 533 F C 0.819 176.523 175.800 -0.159 0.000 1.085 533 F CA 0.596 58.488 58.000 -0.180 0.000 1.260 533 F CB 0.554 39.486 39.000 -0.115 0.000 1.095 533 F HN 0.384 nan 8.300 nan 0.000 0.573 534 M N 3.430 123.034 119.600 0.007 0.000 2.465 534 M HA 0.372 4.852 4.480 0.000 0.000 0.316 534 M C -0.889 175.435 176.300 0.040 0.000 1.121 534 M CA -0.217 55.083 55.300 -0.000 0.000 0.934 534 M CB 2.026 34.575 32.600 -0.085 0.000 1.692 534 M HN 0.639 nan 8.290 nan 0.000 0.444 535 T N 1.453 116.054 114.554 0.078 0.000 2.861 535 T HA 0.541 4.891 4.350 0.000 0.000 0.287 535 T C 0.613 175.423 174.700 0.183 0.000 1.003 535 T CA -0.191 61.946 62.100 0.062 0.000 0.977 535 T CB 0.979 69.866 68.868 0.033 0.000 0.996 535 T HN 0.831 nan 8.240 nan 0.000 0.448 536 T N 0.395 115.095 114.554 0.243 0.000 3.054 536 T HA 0.200 4.550 4.350 0.000 0.000 0.255 536 T C 1.238 176.246 174.700 0.512 0.000 1.035 536 T CA 0.098 62.434 62.100 0.394 0.000 0.941 536 T CB -0.429 68.630 68.868 0.319 0.000 1.026 536 T HN 0.813 nan 8.240 nan 0.000 0.533 537 H N 0.999 120.150 119.070 0.134 0.000 2.521 537 H HA 0.143 4.699 4.556 0.000 0.000 0.286 537 H C 1.187 176.636 175.328 0.202 0.000 1.034 537 H CA 0.620 56.708 56.048 0.067 0.000 1.278 537 H CB 0.327 30.046 29.762 -0.072 0.000 1.386 537 H HN 0.347 nan 8.280 nan 0.000 0.567 538 S N 0.290 116.212 115.700 0.370 0.000 2.575 538 S HA -0.025 4.446 4.470 0.000 0.000 0.237 538 S C -0.001 174.778 174.600 0.299 0.000 0.975 538 S CA -0.461 57.913 58.200 0.290 0.000 0.960 538 S CB 0.018 63.380 63.200 0.270 0.000 0.822 538 S HN 0.370 nan 8.310 nan 0.000 0.472 539 W N 3.173 124.565 121.300 0.154 0.000 2.385 539 W HA -0.047 4.613 4.660 0.000 0.000 0.336 539 W C -0.029 176.518 176.519 0.046 0.000 1.351 539 W CA 0.977 58.348 57.345 0.044 0.000 1.295 539 W CB 0.047 29.479 29.460 -0.047 0.000 1.239 539 W HN 0.392 nan 8.180 nan 0.000 0.565 540 D N 1.511 121.900 120.400 -0.019 0.000 2.911 540 D HA -0.206 4.434 4.640 0.000 0.000 0.199 540 D C 0.054 176.387 176.300 0.056 0.000 1.041 540 D CA 1.400 55.431 54.000 0.051 0.000 1.013 540 D CB -0.895 40.022 40.800 0.195 0.000 1.093 540 D HN 0.596 nan 8.370 nan 0.000 0.431 541 E N 0.751 120.994 120.200 0.072 0.000 2.371 541 E HA 0.241 4.591 4.350 0.000 0.000 0.257 541 E C 0.117 176.744 176.600 0.045 0.000 1.134 541 E CA -0.457 55.979 56.400 0.059 0.000 0.919 541 E CB 0.716 30.454 29.700 0.063 0.000 1.025 541 E HN 0.024 nan 8.360 nan 0.000 0.438 542 D N 1.988 122.408 120.400 0.033 0.000 2.295 542 D HA 0.065 4.705 4.640 0.000 0.000 0.248 542 D C -1.610 174.737 176.300 0.079 0.000 1.154 542 D CA -2.331 51.696 54.000 0.044 0.000 0.857 542 D CB 1.113 41.930 40.800 0.028 0.000 1.117 542 D HN 0.104 nan 8.370 nan 0.000 0.468 543 P HA 0.052 nan 4.420 nan 0.000 0.233 543 P C 0.118 177.618 177.300 0.333 0.000 1.167 543 P CA -0.023 63.283 63.100 0.344 0.000 0.770 543 P CB 0.162 32.089 31.700 0.379 0.000 0.837 544 A N 0.301 123.233 122.820 0.187 0.000 2.488 544 A HA 0.516 4.836 4.320 0.000 0.000 0.249 544 A C 0.913 178.549 177.584 0.087 0.000 1.083 544 A CA 0.817 52.944 52.037 0.151 0.000 0.768 544 A CB -0.699 18.371 19.000 0.117 0.000 1.017 544 A HN 0.439 nan 8.150 nan 0.000 0.496 545 G N 0.962 109.822 108.800 0.100 0.000 2.293 545 G HA2 0.231 4.191 3.960 0.000 0.000 0.282 545 G HA3 0.231 4.191 3.960 0.000 0.000 0.282 545 G C -0.666 174.277 174.900 0.071 0.000 1.299 545 G CA -0.210 44.910 45.100 0.034 0.000 1.018 545 G HN 1.096 nan 8.290 nan 0.000 0.478 546 E N -0.323 119.878 120.200 0.000 0.000 2.167 546 E HA 0.502 4.852 4.350 0.000 0.000 0.284 546 E C -0.913 175.690 176.600 0.005 0.000 1.016 546 E CA -0.754 55.677 56.400 0.053 0.000 0.817 546 E CB 0.594 30.312 29.700 0.029 0.000 1.080 546 E HN 0.429 nan 8.360 nan 0.000 0.397 547 W N 3.329 124.654 121.300 0.043 0.000 2.512 547 W HA 0.464 5.125 4.660 0.000 0.000 0.335 547 W C -0.872 175.704 176.519 0.095 0.000 1.088 547 W CA -0.481 56.907 57.345 0.072 0.000 1.236 547 W CB 1.651 31.163 29.460 0.085 0.000 1.307 547 W HN 0.210 nan 8.180 nan 0.000 0.567 548 V N 4.478 124.584 119.914 0.321 0.000 2.577 548 V HA 0.380 4.500 4.120 0.000 0.000 0.303 548 V C -1.062 175.149 176.094 0.195 0.000 1.042 548 V CA -1.065 61.362 62.300 0.212 0.000 0.872 548 V CB 1.452 33.334 31.823 0.098 0.000 0.998 548 V HN 0.324 nan 8.190 nan 0.000 0.423 549 L N 4.492 125.794 121.223 0.132 0.000 2.307 549 L HA 0.657 4.997 4.340 0.000 0.000 0.284 549 L C -0.218 176.615 176.870 -0.063 0.000 1.023 549 L CA 0.321 55.130 54.840 -0.052 0.000 0.810 549 L CB 1.516 43.355 42.059 -0.368 0.000 1.231 549 L HN 0.710 nan 8.230 nan 0.000 0.423 550 E N 6.030 126.188 120.200 -0.070 0.000 2.199 550 E HA 0.530 4.880 4.350 0.000 0.000 0.265 550 E C -1.227 175.320 176.600 -0.087 0.000 0.882 550 E CA -0.346 56.024 56.400 -0.050 0.000 0.759 550 E CB 2.130 31.824 29.700 -0.010 0.000 1.148 550 E HN 0.521 nan 8.360 nan 0.000 0.412 551 I N 3.338 123.846 120.570 -0.103 0.000 2.466 551 I HA 0.274 4.444 4.170 0.000 0.000 0.289 551 I C -0.385 175.667 176.117 -0.109 0.000 1.026 551 I CA -0.571 60.641 61.300 -0.147 0.000 1.078 551 I CB 1.615 39.504 38.000 -0.187 0.000 1.249 551 I HN 0.530 nan 8.210 nan 0.000 0.429 552 E N 4.506 124.638 120.200 -0.113 0.000 2.383 552 E HA 0.347 4.697 4.350 0.000 0.000 0.275 552 E C -1.362 175.184 176.600 -0.090 0.000 0.918 552 E CA -1.028 55.327 56.400 -0.075 0.000 0.764 552 E CB 2.157 31.833 29.700 -0.040 0.000 1.252 552 E HN 0.409 nan 8.360 nan 0.000 0.449 553 N N 1.460 120.143 118.700 -0.027 0.000 2.415 553 N HA 0.027 4.767 4.740 0.000 0.000 0.246 553 N C 0.476 175.992 175.510 0.010 0.000 1.078 553 N CA -0.002 53.063 53.050 0.025 0.000 0.942 553 N CB 1.228 39.803 38.487 0.147 0.000 1.140 553 N HN 0.627 nan 8.380 nan 0.000 0.501 554 T N -0.166 114.380 114.554 -0.014 0.000 3.160 554 T HA 0.035 4.386 4.350 0.000 0.000 0.257 554 T C 0.823 175.514 174.700 -0.015 0.000 1.147 554 T CA -0.065 62.022 62.100 -0.022 0.000 1.064 554 T CB -0.184 68.658 68.868 -0.044 0.000 0.949 554 T HN 0.324 nan 8.240 nan 0.000 0.526 555 S N -0.177 115.527 115.700 0.006 0.000 2.690 555 S HA 0.316 4.786 4.470 0.000 0.000 0.291 555 S C 0.923 175.534 174.600 0.018 0.000 1.138 555 S CA -0.744 57.461 58.200 0.008 0.000 1.013 555 S CB 1.293 64.504 63.200 0.018 0.000 1.053 555 S HN 0.209 nan 8.310 nan 0.000 0.539 556 E N 0.942 121.150 120.200 0.013 0.000 2.478 556 E HA 0.188 4.539 4.350 0.000 0.000 0.194 556 E C 0.774 177.389 176.600 0.024 0.000 1.045 556 E CA 0.103 56.513 56.400 0.016 0.000 0.868 556 E CB -0.039 29.666 29.700 0.009 0.000 0.885 556 E HN 0.645 nan 8.360 nan 0.000 0.505 557 A N 1.790 124.627 122.820 0.028 0.000 2.466 557 A HA 0.052 4.372 4.320 0.000 0.000 0.238 557 A C 0.376 177.985 177.584 0.042 0.000 1.074 557 A CA -0.183 51.873 52.037 0.032 0.000 0.774 557 A CB 0.133 19.151 19.000 0.030 0.000 1.015 557 A HN -0.016 nan 8.150 nan 0.000 0.498 558 N N 2.507 121.235 118.700 0.046 0.000 2.868 558 N HA 0.116 4.856 4.740 0.000 0.000 0.252 558 N C -0.667 174.892 175.510 0.081 0.000 1.130 558 N CA -0.011 53.076 53.050 0.062 0.000 1.026 558 N CB -0.006 38.515 38.487 0.056 0.000 1.335 558 N HN 0.534 nan 8.380 nan 0.000 0.516 559 N N 1.258 119.982 118.700 0.039 0.000 2.445 559 N HA 0.281 5.021 4.740 0.000 0.000 0.264 559 N C -0.335 175.088 175.510 -0.145 0.000 1.227 559 N CA 0.003 52.965 53.050 -0.146 0.000 0.963 559 N CB 0.793 39.177 38.487 -0.172 0.000 1.188 559 N HN 0.388 nan 8.380 nan 0.000 0.491 560 Y N -3.346 116.628 120.300 -0.543 0.000 2.597 560 Y HA 0.795 5.345 4.550 0.001 0.000 0.340 560 Y C -0.108 175.531 175.900 -0.434 0.000 1.097 560 Y CA -1.148 56.753 58.100 -0.331 0.000 1.037 560 Y CB 1.234 39.599 38.460 -0.158 0.000 1.305 560 Y HN 0.676 nan 8.280 nan 0.000 0.463 561 G N 0.088 108.957 108.800 0.115 0.000 2.322 561 G HA2 0.502 4.462 3.960 0.000 0.000 0.295 561 G HA3 0.502 4.462 3.960 0.000 0.000 0.295 561 G C -1.924 173.127 174.900 0.251 0.000 1.369 561 G CA -0.755 44.474 45.100 0.215 0.000 0.821 561 G HN 0.765 nan 8.290 nan 0.000 0.536 562 T N 0.167 114.844 114.554 0.205 0.000 2.916 562 T HA 0.528 4.878 4.350 0.000 0.000 0.298 562 T C -1.055 173.725 174.700 0.133 0.000 1.031 562 T CA -0.439 61.751 62.100 0.151 0.000 0.993 562 T CB 1.893 70.833 68.868 0.120 0.000 1.045 562 T HN 0.804 nan 8.240 nan 0.000 0.454 563 L N 3.862 125.149 121.223 0.106 0.000 2.261 563 L HA 0.466 4.807 4.340 0.000 0.000 0.289 563 L C 1.287 178.217 176.870 0.100 0.000 1.059 563 L CA 0.247 55.142 54.840 0.092 0.000 0.816 563 L CB 0.606 42.698 42.059 0.055 0.000 1.191 563 L HN 0.901 nan 8.230 nan 0.000 0.431 564 T N 0.905 115.524 114.554 0.109 0.000 3.022 564 T HA 0.254 4.604 4.350 0.000 0.000 0.250 564 T C 0.607 175.370 174.700 0.105 0.000 1.060 564 T CA -0.065 62.094 62.100 0.099 0.000 1.013 564 T CB 0.022 68.944 68.868 0.090 0.000 0.982 564 T HN 0.478 nan 8.240 nan 0.000 0.508 565 K N 0.103 120.583 120.400 0.132 0.000 2.557 565 K HA 0.503 4.823 4.320 0.000 0.000 0.257 565 K C -2.501 174.240 176.600 0.234 0.000 0.933 565 K CA -0.918 55.457 56.287 0.147 0.000 0.820 565 K CB 2.077 34.647 32.500 0.116 0.000 1.330 565 K HN 0.049 nan 8.250 nan 0.000 0.432 566 F N 2.924 122.885 119.950 0.018 0.000 2.941 566 F HA 0.393 4.920 4.527 -0.000 0.000 0.359 566 F C -1.534 174.250 175.800 -0.026 0.000 1.231 566 F CA -0.380 57.622 58.000 0.003 0.000 1.089 566 F CB 1.414 40.414 39.000 0.000 0.000 1.407 566 F HN 0.308 nan 8.300 nan 0.000 0.538 567 T N 7.058 121.665 114.554 0.087 0.000 2.779 567 T HA 0.506 4.856 4.350 0.000 0.000 0.280 567 T C -0.962 173.613 174.700 -0.207 0.000 0.987 567 T CA -0.434 61.566 62.100 -0.167 0.000 0.966 567 T CB 1.417 70.241 68.868 -0.073 0.000 0.933 567 T HN 0.518 nan 8.240 nan 0.000 0.442 568 L N 5.400 126.361 121.223 -0.437 0.000 2.264 568 L HA 0.605 4.945 4.340 0.000 0.000 0.289 568 L C -0.884 175.793 176.870 -0.323 0.000 1.044 568 L CA -0.310 54.295 54.840 -0.393 0.000 0.807 568 L CB 0.846 42.524 42.059 -0.635 0.000 1.192 568 L HN 0.421 nan 8.230 nan 0.000 0.425 569 V N 6.869 126.634 119.914 -0.249 0.000 2.357 569 V HA 0.421 4.541 4.120 0.000 0.000 0.284 569 V C -0.080 175.845 176.094 -0.282 0.000 1.018 569 V CA -0.551 61.584 62.300 -0.275 0.000 0.841 569 V CB 1.401 33.088 31.823 -0.226 0.000 0.991 569 V HN 0.569 nan 8.190 nan 0.000 0.437 570 L N 5.576 126.599 121.223 -0.333 0.000 2.307 570 L HA 0.598 4.938 4.340 0.000 0.000 0.284 570 L C -1.053 175.642 176.870 -0.292 0.000 1.023 570 L CA -0.573 54.129 54.840 -0.229 0.000 0.810 570 L CB 1.241 43.194 42.059 -0.177 0.000 1.231 570 L HN 0.490 nan 8.230 nan 0.000 0.423 571 Y N 1.227 121.485 120.300 -0.070 0.000 2.409 571 Y HA 0.816 5.367 4.550 0.000 0.000 0.339 571 Y C 0.717 176.547 175.900 -0.117 0.000 1.033 571 Y CA -0.203 57.862 58.100 -0.059 0.000 1.094 571 Y CB 2.345 40.802 38.460 -0.005 0.000 1.210 571 Y HN 0.710 nan 8.280 nan 0.000 0.456 572 G N 0.304 109.132 108.800 0.047 0.000 2.336 572 G HA2 0.437 4.397 3.960 0.000 0.000 0.286 572 G HA3 0.437 4.397 3.960 0.000 0.000 0.286 572 G C -1.198 173.677 174.900 -0.042 0.000 1.269 572 G CA -0.423 44.637 45.100 -0.066 0.000 0.873 572 G HN 0.704 nan 8.290 nan 0.000 0.494 573 T N -2.337 112.175 114.554 -0.070 0.000 2.887 573 T HA 0.923 5.273 4.350 0.000 0.000 0.292 573 T C -0.121 174.519 174.700 -0.101 0.000 1.087 573 T CA 0.165 62.227 62.100 -0.064 0.000 1.009 573 T CB 1.762 70.595 68.868 -0.058 0.000 1.203 573 T HN 2.170 nan 8.240 nan 0.000 0.518 574 A N 1.567 124.324 122.820 -0.105 0.000 2.356 574 A HA 0.914 5.234 4.320 0.000 0.000 0.323 574 A C -2.116 175.402 177.584 -0.110 0.000 1.119 574 A CA -1.579 50.367 52.037 -0.151 0.000 0.790 574 A CB 0.012 18.916 19.000 -0.160 0.000 1.273 574 A HN 0.899 nan 8.150 nan 0.000 0.452 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.052 63.100 -0.080 0.000 0.800 575 P CB 0.000 31.658 31.700 -0.071 0.000 0.726