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 2d1f_1_A DATA FIRST_RESID 10 DATA SEQUENCE QPWPGVIAAY RDRLPVGDDW TPVTLLEGGT PLIAATNLSK QTGCTIHLKV DATA SEQUENCE EGLNPTGSFK DRGMTMAVTD ALAHGQRAVL CASTGNTSAS AAAYAARAGI DATA SEQUENCE TCAVLIPQGK IAMGKLAQAV MHGAKIIQID GNFDDCLELA RKMAADFPTI DATA SEQUENCE SLVNSVNPVR IEGQKTAAFE IVDVLGTAPD VHALPVGNAG NITAYWKGYT DATA SEQUENCE EYHQLGLIDK LPRMLGTQAA GAAPLVLGEP VSHPETIATA IRIGSPASWT DATA SEQUENCE SAVEAQQQSK GRFLAASDEE ILAAYHLVAR VEGVFVEPAS AASIAGLLKA DATA SEQUENCE IDDGWVARGS TVVCTVTGNG LKDPDTALKD MPSVSPVPVD PVAVVEKLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 Q HA 0.000 nan 4.340 nan 0.000 0.214 10 Q C 0.000 176.039 176.000 0.065 0.000 1.003 10 Q CA 0.000 55.826 55.803 0.039 0.000 1.022 10 Q CB 0.000 28.763 28.738 0.041 0.000 1.108 11 P HA 0.255 nan 4.420 nan 0.000 0.278 11 P C -0.512 176.876 177.300 0.147 0.000 1.258 11 P CA -0.403 62.761 63.100 0.107 0.000 0.811 11 P CB 0.851 32.598 31.700 0.078 0.000 1.063 12 W N 3.012 124.313 121.300 0.001 0.000 2.251 12 W HA 0.127 4.785 4.660 -0.003 0.000 0.327 12 W C -2.312 174.207 176.519 -0.001 0.000 1.361 12 W CA -0.925 56.417 57.345 -0.004 0.000 1.234 12 W CB 0.962 30.429 29.460 0.012 0.000 1.212 12 W HN 0.383 nan 8.180 nan 0.000 0.557 13 P HA 0.331 nan 4.420 nan 0.000 0.336 13 P C -0.169 176.788 177.300 -0.571 0.000 1.288 13 P CA -0.378 62.431 63.100 -0.485 0.000 0.766 13 P CB 0.307 31.756 31.700 -0.417 0.000 1.461 14 G N -0.460 108.163 108.800 -0.294 0.000 2.391 14 G HA2 0.072 4.030 3.960 -0.004 0.000 0.234 14 G HA3 0.072 4.030 3.960 -0.004 0.000 0.234 14 G C 1.176 175.928 174.900 -0.247 0.000 1.284 14 G CA -0.343 44.664 45.100 -0.155 0.000 0.873 14 G HN 0.263 nan 8.290 nan 0.000 0.549 15 V N 3.381 123.300 119.914 0.009 0.000 2.453 15 V HA -0.218 3.900 4.120 -0.004 0.000 0.252 15 V C 2.729 178.885 176.094 0.104 0.000 1.068 15 V CA 1.801 64.200 62.300 0.165 0.000 1.070 15 V CB -0.579 31.444 31.823 0.332 0.000 0.664 15 V HN 0.721 nan 8.190 nan 0.000 0.461 16 I N -0.109 120.487 120.570 0.044 0.000 2.113 16 I HA -0.264 3.904 4.170 -0.004 0.000 0.238 16 I C 2.670 178.766 176.117 -0.035 0.000 1.070 16 I CA 1.695 63.012 61.300 0.029 0.000 1.332 16 I CB -0.724 37.293 38.000 0.028 0.000 1.044 16 I HN 0.336 nan 8.210 nan 0.000 0.402 17 A N 0.689 123.440 122.820 -0.114 0.000 1.908 17 A HA -0.163 4.154 4.320 -0.004 0.000 0.218 17 A C 2.447 179.881 177.584 -0.251 0.000 1.181 17 A CA 1.921 53.856 52.037 -0.170 0.000 0.627 17 A CB -0.803 18.078 19.000 -0.198 0.000 0.818 17 A HN 0.474 nan 8.150 nan 0.000 0.445 18 A N -2.844 119.725 122.820 -0.417 0.000 2.119 18 A HA 0.175 4.492 4.320 -0.004 0.000 0.217 18 A C 0.958 178.201 177.584 -0.568 0.000 1.153 18 A CA 1.023 52.665 52.037 -0.658 0.000 0.692 18 A CB -0.302 17.960 19.000 -1.229 0.000 0.799 18 A HN 0.558 nan 8.150 nan 0.000 0.458 19 Y N -1.803 118.484 120.300 -0.022 0.000 2.750 19 Y HA 0.304 4.851 4.550 -0.004 0.000 0.247 19 Y C 1.343 177.261 175.900 0.030 0.000 1.098 19 Y CA -1.069 57.072 58.100 0.069 0.000 1.120 19 Y CB -0.237 38.351 38.460 0.213 0.000 1.210 19 Y HN 0.244 nan 8.280 nan 0.000 0.601 20 R N 1.011 121.556 120.500 0.074 0.000 2.083 20 R HA -0.162 4.176 4.340 -0.004 0.000 0.237 20 R C 1.122 177.428 176.300 0.009 0.000 1.137 20 R CA 2.336 58.443 56.100 0.011 0.000 0.951 20 R CB -0.025 30.244 30.300 -0.052 0.000 0.851 20 R HN 0.422 nan 8.270 nan 0.000 0.434 21 D N -0.283 120.125 120.400 0.013 0.000 2.403 21 D HA -0.157 4.481 4.640 -0.004 0.000 0.227 21 D C 0.843 177.157 176.300 0.023 0.000 0.995 21 D CA 0.738 54.737 54.000 -0.001 0.000 0.928 21 D CB -0.088 40.706 40.800 -0.011 0.000 0.887 21 D HN 0.166 nan 8.370 nan 0.000 0.529 22 R N -0.441 120.107 120.500 0.080 0.000 2.476 22 R HA 0.371 4.709 4.340 -0.004 0.000 0.276 22 R C 0.059 176.429 176.300 0.116 0.000 0.941 22 R CA -0.217 55.950 56.100 0.112 0.000 1.088 22 R CB 0.938 31.347 30.300 0.182 0.000 1.216 22 R HN 0.229 nan 8.270 nan 0.000 0.533 23 L N 2.000 123.261 121.223 0.064 0.000 2.370 23 L HA 0.464 4.801 4.340 -0.004 0.000 0.266 23 L C -2.187 174.660 176.870 -0.038 0.000 1.002 23 L CA -2.090 52.768 54.840 0.030 0.000 0.818 23 L CB 2.664 44.749 42.059 0.044 0.000 1.325 23 L HN -0.224 nan 8.230 nan 0.000 0.418 24 P HA 0.136 nan 4.420 nan 0.000 0.238 24 P C -1.051 176.120 177.300 -0.216 0.000 1.794 24 P CA -0.090 62.968 63.100 -0.069 0.000 1.088 24 P CB 0.021 31.735 31.700 0.023 0.000 1.923 25 V N -0.232 119.416 119.914 -0.443 0.000 2.686 25 V HA 0.828 4.946 4.120 -0.004 0.000 0.306 25 V C 0.479 175.911 176.094 -1.103 0.000 1.065 25 V CA -0.952 60.708 62.300 -1.067 0.000 0.894 25 V CB 1.554 33.004 31.823 -0.623 0.000 1.004 25 V HN 0.364 nan 8.190 nan 0.000 0.424 26 G N 1.934 109.645 108.800 -1.815 0.000 2.667 26 G HA2 0.302 4.259 3.960 -0.004 0.000 0.250 26 G HA3 0.302 4.259 3.960 -0.004 0.000 0.250 26 G C 0.200 174.715 174.900 -0.641 0.000 1.212 26 G CA 0.083 44.610 45.100 -0.954 0.000 0.874 26 G HN 0.831 nan 8.290 nan 0.000 0.561 27 D N -0.795 119.436 120.400 -0.282 0.000 2.312 27 D HA -0.048 4.590 4.640 -0.004 0.000 0.211 27 D C 1.569 177.839 176.300 -0.050 0.000 0.964 27 D CA 0.604 54.518 54.000 -0.144 0.000 0.877 27 D CB 0.229 40.982 40.800 -0.079 0.000 0.924 27 D HN 0.342 nan 8.370 nan 0.000 0.515 28 D N -0.667 119.756 120.400 0.039 0.000 2.183 28 D HA -0.054 4.584 4.640 -0.004 0.000 0.205 28 D C 0.310 176.783 176.300 0.289 0.000 0.962 28 D CA 0.108 54.219 54.000 0.185 0.000 0.849 28 D CB 0.232 41.182 40.800 0.250 0.000 0.978 28 D HN 0.081 nan 8.370 nan 0.000 0.488 29 W N 1.927 123.202 121.300 -0.041 0.000 2.170 29 W HA 0.120 4.777 4.660 -0.004 0.000 0.342 29 W C 0.732 177.234 176.519 -0.027 0.000 1.294 29 W CA -0.601 56.719 57.345 -0.042 0.000 1.246 29 W CB -0.794 28.636 29.460 -0.050 0.000 1.156 29 W HN -0.194 nan 8.180 nan 0.000 0.572 30 T N 1.212 115.884 114.554 0.197 0.000 2.781 30 T HA 0.346 4.693 4.350 -0.004 0.000 0.305 30 T C -2.133 172.637 174.700 0.117 0.000 1.001 30 T CA -2.115 60.053 62.100 0.114 0.000 0.950 30 T CB 0.737 69.644 68.868 0.064 0.000 0.955 30 T HN 0.111 nan 8.240 nan 0.000 0.471 31 P HA 0.124 nan 4.420 nan 0.000 0.266 31 P C -0.183 177.168 177.300 0.086 0.000 1.215 31 P CA -0.301 62.858 63.100 0.098 0.000 0.763 31 P CB 0.846 32.581 31.700 0.058 0.000 0.806 32 V N 3.962 123.942 119.914 0.111 0.000 2.333 32 V HA 0.523 4.640 4.120 -0.004 0.000 0.274 32 V C -0.439 175.777 176.094 0.204 0.000 1.028 32 V CA 0.156 62.530 62.300 0.122 0.000 0.851 32 V CB 0.858 32.752 31.823 0.118 0.000 1.000 32 V HN 0.723 nan 8.190 nan 0.000 0.456 33 T N 5.937 120.585 114.554 0.157 0.000 2.916 33 T HA 0.541 4.889 4.350 -0.004 0.000 0.305 33 T C -0.139 174.620 174.700 0.097 0.000 1.119 33 T CA -0.513 61.720 62.100 0.222 0.000 1.008 33 T CB 1.599 70.553 68.868 0.143 0.000 1.129 33 T HN 0.585 nan 8.240 nan 0.000 0.480 34 L N 4.690 125.970 121.223 0.096 0.000 2.928 34 L HA 0.472 4.810 4.340 -0.004 0.000 0.246 34 L C 0.459 177.386 176.870 0.095 0.000 1.239 34 L CA -0.191 54.642 54.840 -0.011 0.000 1.035 34 L CB -0.204 41.743 42.059 -0.187 0.000 1.360 34 L HN 0.735 nan 8.230 nan 0.000 0.529 35 L N 0.433 121.743 121.223 0.146 0.000 3.634 35 L HA -0.216 4.122 4.340 -0.004 0.000 0.423 35 L C 0.749 177.818 176.870 0.332 0.000 1.253 35 L CA 0.006 54.971 54.840 0.208 0.000 0.885 35 L CB -1.622 40.545 42.059 0.180 0.000 1.789 35 L HN 0.515 nan 8.230 nan 0.000 0.904 36 E N 1.471 121.865 120.200 0.324 0.000 2.416 36 E HA 0.516 4.863 4.350 -0.004 0.000 0.254 36 E C 0.966 177.823 176.600 0.429 0.000 1.241 36 E CA 0.494 57.085 56.400 0.319 0.000 0.969 36 E CB 0.600 30.483 29.700 0.304 0.000 0.999 36 E HN 0.454 nan 8.360 nan 0.000 0.481 37 G N -0.576 108.383 108.800 0.265 0.000 2.750 37 G HA2 0.106 4.064 3.960 -0.004 0.000 0.228 37 G HA3 0.106 4.064 3.960 -0.004 0.000 0.228 37 G C 0.743 175.474 174.900 -0.283 0.000 1.367 37 G CA 0.804 46.014 45.100 0.184 0.000 0.871 37 G HN 1.744 nan 8.290 nan 0.000 0.560 38 G N -1.908 106.399 108.800 -0.821 0.000 2.179 38 G HA2 0.149 4.106 3.960 -0.004 0.000 0.257 38 G HA3 0.149 4.106 3.960 -0.004 0.000 0.257 38 G C 0.946 175.488 174.900 -0.597 0.000 1.010 38 G CA 1.705 45.942 45.100 -1.439 0.000 0.736 38 G HN 2.799 nan 8.290 nan 0.000 0.513 39 T N -0.992 113.379 114.554 -0.305 0.000 2.898 39 T HA 0.543 4.891 4.350 -0.004 0.000 0.301 39 T C -1.769 172.872 174.700 -0.099 0.000 1.049 39 T CA -1.196 60.824 62.100 -0.134 0.000 1.095 39 T CB 1.616 70.462 68.868 -0.038 0.000 0.976 39 T HN 0.090 nan 8.240 nan 0.000 0.539 40 P HA 0.198 nan 4.420 nan 0.000 0.266 40 P C -0.860 176.441 177.300 0.002 0.000 1.193 40 P CA -0.441 62.646 63.100 -0.022 0.000 0.770 40 P CB 0.236 31.939 31.700 0.005 0.000 0.836 41 L N 4.503 125.732 121.223 0.010 0.000 2.337 41 L HA 0.364 4.702 4.340 -0.004 0.000 0.269 41 L C -0.901 176.027 176.870 0.096 0.000 1.018 41 L CA -0.161 54.703 54.840 0.040 0.000 0.876 41 L CB -0.074 41.979 42.059 -0.009 0.000 1.236 41 L HN 0.207 nan 8.230 nan 0.000 0.436 42 I N 4.101 124.738 120.570 0.111 0.000 2.395 42 I HA 0.308 4.476 4.170 -0.004 0.000 0.289 42 I C 0.817 177.025 176.117 0.151 0.000 1.023 42 I CA -0.388 60.979 61.300 0.111 0.000 1.350 42 I CB 1.539 39.578 38.000 0.064 0.000 1.409 42 I HN 0.691 nan 8.210 nan 0.000 0.507 43 A N 5.809 128.712 122.820 0.139 0.000 2.484 43 A HA 0.392 4.709 4.320 -0.004 0.000 0.268 43 A C 0.772 178.324 177.584 -0.053 0.000 1.114 43 A CA -0.270 51.758 52.037 -0.015 0.000 0.780 43 A CB 0.048 19.043 19.000 -0.008 0.000 1.061 43 A HN 0.870 nan 8.150 nan 0.000 0.505 44 A N 3.683 126.441 122.820 -0.104 0.000 3.077 44 A HA 0.381 4.699 4.320 -0.004 0.000 0.255 44 A C 1.614 179.157 177.584 -0.067 0.000 1.728 44 A CA 0.310 52.310 52.037 -0.062 0.000 1.383 44 A CB -1.221 17.748 19.000 -0.052 0.000 1.097 44 A HN 1.259 nan 8.150 nan 0.000 0.634 45 T N -0.547 113.974 114.554 -0.054 0.000 2.699 45 T HA -0.234 4.114 4.350 -0.004 0.000 0.268 45 T C 1.497 176.177 174.700 -0.033 0.000 1.036 45 T CA 1.829 63.901 62.100 -0.046 0.000 1.147 45 T CB -0.419 68.432 68.868 -0.028 0.000 0.862 45 T HN 0.547 nan 8.240 nan 0.000 0.446 46 N N 1.627 120.313 118.700 -0.023 0.000 2.216 46 N HA 0.104 4.841 4.740 -0.004 0.000 0.183 46 N C 2.009 177.510 175.510 -0.016 0.000 1.017 46 N CA 0.977 54.017 53.050 -0.016 0.000 0.861 46 N CB -0.394 38.088 38.487 -0.009 0.000 0.986 46 N HN 0.424 nan 8.380 nan 0.000 0.428 47 L N 0.613 121.825 121.223 -0.019 0.000 2.141 47 L HA -0.053 4.285 4.340 -0.004 0.000 0.209 47 L C 2.257 179.112 176.870 -0.026 0.000 1.094 47 L CA 0.681 55.510 54.840 -0.018 0.000 0.763 47 L CB -0.350 41.698 42.059 -0.018 0.000 0.908 47 L HN 0.051 nan 8.230 nan 0.000 0.437 48 S N -0.034 115.641 115.700 -0.040 0.000 2.355 48 S HA -0.168 4.299 4.470 -0.004 0.000 0.222 48 S C 1.990 176.571 174.600 -0.031 0.000 1.031 48 S CA 1.217 59.389 58.200 -0.046 0.000 0.993 48 S CB -0.093 63.064 63.200 -0.072 0.000 0.859 48 S HN 0.248 nan 8.310 nan 0.000 0.453 49 K N 1.299 121.683 120.400 -0.026 0.000 2.074 49 K HA -0.136 4.181 4.320 -0.004 0.000 0.209 49 K C 2.362 178.954 176.600 -0.013 0.000 1.048 49 K CA 1.301 57.577 56.287 -0.018 0.000 0.926 49 K CB -0.147 32.345 32.500 -0.014 0.000 0.713 49 K HN 0.352 nan 8.250 nan 0.000 0.444 50 Q N -0.569 119.224 119.800 -0.011 0.000 2.123 50 Q HA -0.103 4.235 4.340 -0.004 0.000 0.199 50 Q C 1.344 177.342 176.000 -0.005 0.000 0.966 50 Q CA 1.524 57.323 55.803 -0.006 0.000 0.845 50 Q CB 0.251 28.987 28.738 -0.003 0.000 0.907 50 Q HN 0.277 nan 8.270 nan 0.000 0.439 51 T N -1.516 113.033 114.554 -0.008 0.000 2.781 51 T HA 0.130 4.477 4.350 -0.004 0.000 0.252 51 T C 1.156 175.852 174.700 -0.007 0.000 1.039 51 T CA 1.245 63.342 62.100 -0.005 0.000 1.147 51 T CB -0.040 68.825 68.868 -0.006 0.000 0.865 51 T HN 0.588 nan 8.240 nan 0.000 0.423 52 G N -0.098 108.695 108.800 -0.013 0.000 2.253 52 G HA2 -0.216 3.741 3.960 -0.004 0.000 0.209 52 G HA3 -0.216 3.741 3.960 -0.004 0.000 0.209 52 G C 0.371 175.261 174.900 -0.017 0.000 0.997 52 G CA -0.108 44.984 45.100 -0.014 0.000 0.640 52 G HN 0.634 nan 8.290 nan 0.000 0.496 53 C N 1.667 120.956 119.300 -0.018 0.000 2.422 53 C HA 0.775 5.233 4.460 -0.004 0.000 0.364 53 C C 1.117 176.085 174.990 -0.037 0.000 1.251 53 C CA 0.404 59.409 59.018 -0.022 0.000 2.441 53 C CB 1.039 28.771 27.740 -0.014 0.000 2.393 53 C HN 0.887 nan 8.230 nan 0.000 0.606 54 T N 0.200 114.729 114.554 -0.041 0.000 2.770 54 T HA 0.673 5.021 4.350 -0.004 0.000 0.297 54 T C -0.836 173.798 174.700 -0.111 0.000 0.997 54 T CA -0.219 61.831 62.100 -0.083 0.000 0.949 54 T CB -0.145 68.680 68.868 -0.071 0.000 0.941 54 T HN 0.476 nan 8.240 nan 0.000 0.457 55 I N 4.624 125.094 120.570 -0.166 0.000 2.378 55 I HA 0.393 4.560 4.170 -0.004 0.000 0.291 55 I C 0.384 176.351 176.117 -0.251 0.000 0.992 55 I CA -1.026 60.194 61.300 -0.134 0.000 1.154 55 I CB 1.277 39.231 38.000 -0.076 0.000 1.315 55 I HN 0.603 nan 8.210 nan 0.000 0.448 56 H N 6.299 125.359 119.070 -0.017 0.000 2.533 56 H HA 0.578 5.132 4.556 -0.003 0.000 0.343 56 H C -0.770 174.545 175.328 -0.021 0.000 1.160 56 H CA -0.673 55.370 56.048 -0.008 0.000 1.218 56 H CB 2.418 32.185 29.762 0.007 0.000 1.566 56 H HN 0.325 nan 8.280 nan 0.000 0.522 57 L N 2.317 123.612 121.223 0.119 0.000 2.305 57 L HA 0.231 4.568 4.340 -0.004 0.000 0.284 57 L C 0.115 177.031 176.870 0.076 0.000 1.013 57 L CA -0.971 53.907 54.840 0.064 0.000 0.819 57 L CB 1.411 43.496 42.059 0.043 0.000 1.227 57 L HN 0.237 nan 8.230 nan 0.000 0.417 58 K N 3.213 123.654 120.400 0.068 0.000 2.310 58 K HA 0.210 4.528 4.320 -0.004 0.000 0.290 58 K C -0.615 176.031 176.600 0.077 0.000 1.077 58 K CA -0.158 56.181 56.287 0.088 0.000 0.922 58 K CB 0.965 33.555 32.500 0.151 0.000 1.057 58 K HN 0.328 nan 8.250 nan 0.000 0.479 59 V N 5.417 125.368 119.914 0.062 0.000 2.270 59 V HA 0.256 4.373 4.120 -0.004 0.000 0.263 59 V C 0.235 176.369 176.094 0.065 0.000 1.066 59 V CA -0.119 62.216 62.300 0.059 0.000 0.857 59 V CB 0.739 32.591 31.823 0.048 0.000 1.099 59 V HN 0.843 nan 8.190 nan 0.000 0.476 60 E N 4.122 124.379 120.200 0.095 0.000 2.435 60 E HA 0.058 4.406 4.350 -0.004 0.000 0.195 60 E C 1.972 178.637 176.600 0.109 0.000 1.029 60 E CA 0.938 57.414 56.400 0.126 0.000 0.865 60 E CB 0.370 30.199 29.700 0.215 0.000 0.833 60 E HN 0.911 nan 8.360 nan 0.000 0.510 61 G N 1.032 109.878 108.800 0.077 0.000 2.535 61 G HA2 -0.171 3.787 3.960 -0.004 0.000 0.218 61 G HA3 -0.171 3.787 3.960 -0.004 0.000 0.218 61 G C 1.379 176.309 174.900 0.049 0.000 1.122 61 G CA 0.139 45.268 45.100 0.049 0.000 0.769 61 G HN 0.197 nan 8.290 nan 0.000 0.549 62 L N 0.498 121.753 121.223 0.054 0.000 2.629 62 L HA 0.187 4.525 4.340 -0.004 0.000 0.230 62 L C 0.510 177.415 176.870 0.057 0.000 1.151 62 L CA -0.426 54.444 54.840 0.049 0.000 0.924 62 L CB -0.364 41.717 42.059 0.036 0.000 1.137 62 L HN 0.085 nan 8.230 nan 0.000 0.457 63 N N 1.107 119.851 118.700 0.074 0.000 2.482 63 N HA 0.073 4.811 4.740 -0.004 0.000 0.260 63 N C -1.503 174.060 175.510 0.089 0.000 1.236 63 N CA -1.018 52.090 53.050 0.097 0.000 0.938 63 N CB 1.148 39.705 38.487 0.117 0.000 1.128 63 N HN -0.195 nan 8.380 nan 0.000 0.448 64 P HA -0.209 nan 4.420 nan 0.000 0.218 64 P C 1.201 178.538 177.300 0.063 0.000 1.165 64 P CA 2.337 65.476 63.100 0.065 0.000 0.922 64 P CB -0.072 31.649 31.700 0.035 0.000 0.794 65 T N -5.743 108.857 114.554 0.078 0.000 3.107 65 T HA 0.367 4.715 4.350 -0.004 0.000 0.249 65 T C 1.295 176.030 174.700 0.058 0.000 1.096 65 T CA 0.478 62.626 62.100 0.080 0.000 1.012 65 T CB -0.676 68.246 68.868 0.091 0.000 0.977 65 T HN 0.329 nan 8.240 nan 0.000 0.527 66 G N 0.567 109.399 108.800 0.053 0.000 2.144 66 G HA2 -0.108 3.850 3.960 -0.004 0.000 0.218 66 G HA3 -0.108 3.850 3.960 -0.004 0.000 0.218 66 G C 0.113 175.030 174.900 0.028 0.000 0.988 66 G CA 0.313 45.434 45.100 0.036 0.000 0.659 66 G HN 1.576 nan 8.290 nan 0.000 0.522 67 S N -1.254 114.462 115.700 0.027 0.000 2.625 67 S HA 0.687 5.155 4.470 -0.004 0.000 0.271 67 S C 0.724 175.335 174.600 0.018 0.000 1.161 67 S CA 0.089 58.298 58.200 0.015 0.000 0.820 67 S CB 0.541 63.689 63.200 -0.087 0.000 1.137 67 S HN 1.386 nan 8.310 nan 0.000 0.470 68 F N 1.149 121.127 119.950 0.047 0.000 2.604 68 F HA 0.381 4.906 4.527 -0.003 0.000 0.298 68 F C 1.738 177.554 175.800 0.026 0.000 1.131 68 F CA 0.305 58.331 58.000 0.044 0.000 1.457 68 F CB -0.408 38.629 39.000 0.062 0.000 1.095 68 F HN 0.440 nan 8.300 nan 0.000 0.574 69 K N 0.959 120.933 120.400 -0.709 0.000 2.281 69 K HA -0.176 4.141 4.320 -0.004 0.000 0.203 69 K C 1.135 177.625 176.600 -0.182 0.000 1.046 69 K CA 1.319 57.310 56.287 -0.493 0.000 0.938 69 K CB -0.648 31.599 32.500 -0.421 0.000 0.737 69 K HN 0.368 nan 8.250 nan 0.000 0.458 70 D N 0.916 121.275 120.400 -0.069 0.000 2.182 70 D HA -0.130 4.508 4.640 -0.004 0.000 0.201 70 D C 1.912 178.145 176.300 -0.112 0.000 0.986 70 D CA 0.896 54.895 54.000 -0.002 0.000 0.847 70 D CB -0.084 40.837 40.800 0.202 0.000 0.942 70 D HN 0.251 nan 8.370 nan 0.000 0.467 71 R N 0.011 120.505 120.500 -0.011 0.000 2.120 71 R HA -0.007 4.331 4.340 -0.004 0.000 0.234 71 R C 2.296 178.553 176.300 -0.071 0.000 1.123 71 R CA 1.201 57.299 56.100 -0.003 0.000 0.975 71 R CB -0.330 29.998 30.300 0.047 0.000 0.866 71 R HN 0.172 nan 8.270 nan 0.000 0.446 72 G N 0.559 109.307 108.800 -0.086 0.000 2.411 72 G HA2 -0.154 3.804 3.960 -0.004 0.000 0.213 72 G HA3 -0.154 3.804 3.960 -0.004 0.000 0.213 72 G C 1.395 176.190 174.900 -0.175 0.000 1.166 72 G CA 0.089 45.134 45.100 -0.093 0.000 0.802 72 G HN 0.002 nan 8.290 nan 0.000 0.533 73 M N 1.624 121.039 119.600 -0.309 0.000 2.117 73 M HA -0.043 4.435 4.480 -0.004 0.000 0.262 73 M C 2.752 178.694 176.300 -0.598 0.000 1.065 73 M CA 1.602 56.635 55.300 -0.445 0.000 1.114 73 M CB -1.896 30.406 32.600 -0.498 0.000 1.361 73 M HN 0.237 nan 8.290 nan 0.000 0.408 74 T N 0.546 114.585 114.554 -0.859 0.000 2.620 74 T HA -0.253 4.095 4.350 -0.004 0.000 0.267 74 T C 1.825 176.446 174.700 -0.132 0.000 1.044 74 T CA 2.030 63.885 62.100 -0.408 0.000 1.161 74 T CB -0.389 68.395 68.868 -0.141 0.000 0.862 74 T HN 0.203 nan 8.240 nan 0.000 0.438 75 M N 1.629 121.163 119.600 -0.110 0.000 2.099 75 M HA 0.226 4.703 4.480 -0.004 0.000 0.262 75 M C 2.499 178.812 176.300 0.021 0.000 1.067 75 M CA 1.436 56.734 55.300 -0.002 0.000 1.124 75 M CB -0.993 31.604 32.600 -0.005 0.000 1.353 75 M HN 0.276 nan 8.290 nan 0.000 0.410 76 A N -1.317 121.483 122.820 -0.033 0.000 1.898 76 A HA -0.076 4.242 4.320 -0.004 0.000 0.216 76 A C 2.198 179.785 177.584 0.006 0.000 1.181 76 A CA 1.869 53.903 52.037 -0.005 0.000 0.620 76 A CB -1.091 17.892 19.000 -0.028 0.000 0.819 76 A HN 0.354 nan 8.150 nan 0.000 0.442 77 V N -0.311 119.595 119.914 -0.013 0.000 2.488 77 V HA -0.159 3.959 4.120 -0.004 0.000 0.246 77 V C 2.702 178.819 176.094 0.038 0.000 1.046 77 V CA 2.286 64.601 62.300 0.024 0.000 1.053 77 V CB -0.915 30.949 31.823 0.069 0.000 0.679 77 V HN 0.622 nan 8.190 nan 0.000 0.458 78 T N -0.382 114.207 114.554 0.060 0.000 2.777 78 T HA -0.217 4.130 4.350 -0.004 0.000 0.266 78 T C 1.687 176.411 174.700 0.040 0.000 1.040 78 T CA 1.835 63.990 62.100 0.092 0.000 1.141 78 T CB -0.336 68.632 68.868 0.167 0.000 0.868 78 T HN 0.572 nan 8.240 nan 0.000 0.444 79 D N 1.180 121.627 120.400 0.078 0.000 2.144 79 D HA -0.022 4.616 4.640 -0.004 0.000 0.199 79 D C 2.198 178.462 176.300 -0.060 0.000 0.984 79 D CA 1.105 55.094 54.000 -0.019 0.000 0.834 79 D CB -0.272 40.642 40.800 0.191 0.000 0.955 79 D HN 0.341 nan 8.370 nan 0.000 0.465 80 A N 0.328 123.144 122.820 -0.007 0.000 1.858 80 A HA -0.119 4.199 4.320 -0.004 0.000 0.216 80 A C 2.369 179.921 177.584 -0.054 0.000 1.190 80 A CA 1.232 53.265 52.037 -0.007 0.000 0.617 80 A CB -1.106 17.895 19.000 0.003 0.000 0.827 80 A HN 0.405 nan 8.150 nan 0.000 0.443 81 L N -0.647 120.533 121.223 -0.071 0.000 1.990 81 L HA -0.244 4.094 4.340 -0.004 0.000 0.213 81 L C 2.961 179.719 176.870 -0.186 0.000 1.072 81 L CA 1.619 56.405 54.840 -0.089 0.000 0.755 81 L CB -0.382 41.646 42.059 -0.051 0.000 0.889 81 L HN 0.432 nan 8.230 nan 0.000 0.432 82 A N -1.400 121.203 122.820 -0.362 0.000 1.933 82 A HA -0.273 4.045 4.320 -0.004 0.000 0.218 82 A C 1.781 178.992 177.584 -0.622 0.000 1.175 82 A CA 1.764 53.398 52.037 -0.672 0.000 0.628 82 A CB -0.941 17.163 19.000 -1.493 0.000 0.814 82 A HN 0.662 nan 8.150 nan 0.000 0.444 83 H N -1.366 117.463 119.070 -0.401 0.000 2.539 83 H HA 0.335 4.889 4.556 -0.004 0.000 0.267 83 H C 1.334 176.571 175.328 -0.151 0.000 0.982 83 H CA 0.371 56.264 56.048 -0.257 0.000 1.146 83 H CB 0.088 29.723 29.762 -0.212 0.000 1.382 83 H HN 0.628 nan 8.280 nan 0.000 0.577 84 G N 1.490 110.259 108.800 -0.052 0.000 2.272 84 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.280 84 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.280 84 G C -0.254 174.642 174.900 -0.007 0.000 1.067 84 G CA -0.241 44.839 45.100 -0.033 0.000 0.902 84 G HN 0.352 nan 8.290 nan 0.000 0.500 85 Q N -1.002 118.795 119.800 -0.006 0.000 2.259 85 Q HA 0.473 4.811 4.340 -0.004 0.000 0.246 85 Q C 1.175 177.173 176.000 -0.005 0.000 0.920 85 Q CA -0.538 55.265 55.803 0.001 0.000 0.895 85 Q CB 1.369 30.108 28.738 0.002 0.000 1.220 85 Q HN 0.466 nan 8.270 nan 0.000 0.439 86 R N -0.156 120.342 120.500 -0.003 0.000 2.290 86 R HA 0.291 4.629 4.340 -0.004 0.000 0.197 86 R C -0.164 176.127 176.300 -0.014 0.000 0.913 86 R CA 0.404 56.498 56.100 -0.010 0.000 1.040 86 R CB 0.840 31.133 30.300 -0.012 0.000 0.992 86 R HN 0.649 nan 8.270 nan 0.000 0.500 87 A N 0.169 122.981 122.820 -0.013 0.000 2.486 87 A HA 0.556 4.874 4.320 -0.004 0.000 0.300 87 A C -1.362 176.217 177.584 -0.008 0.000 1.048 87 A CA -0.498 51.529 52.037 -0.017 0.000 0.696 87 A CB 2.067 21.044 19.000 -0.038 0.000 1.278 87 A HN -0.033 nan 8.150 nan 0.000 0.405 88 V N 2.557 122.469 119.914 -0.003 0.000 2.409 88 V HA 0.576 4.694 4.120 -0.004 0.000 0.291 88 V C -0.830 175.265 176.094 0.001 0.000 1.020 88 V CA -0.367 61.935 62.300 0.003 0.000 0.848 88 V CB 1.216 33.047 31.823 0.013 0.000 0.990 88 V HN 0.852 nan 8.190 nan 0.000 0.430 89 L N 7.352 128.575 121.223 -0.001 0.000 2.362 89 L HA 0.972 5.309 4.340 -0.004 0.000 0.271 89 L C -0.388 176.482 176.870 0.001 0.000 1.002 89 L CA 0.066 54.904 54.840 -0.003 0.000 0.818 89 L CB 1.707 43.760 42.059 -0.010 0.000 1.298 89 L HN 0.921 nan 8.230 nan 0.000 0.420 90 C N 2.056 121.358 119.300 0.003 0.000 3.291 90 C HA 0.961 5.419 4.460 -0.004 0.000 0.316 90 C C -0.186 174.810 174.990 0.009 0.000 1.391 90 C CA -0.235 58.787 59.018 0.006 0.000 1.394 90 C CB 1.272 29.020 27.740 0.013 0.000 1.744 90 C HN 1.210 nan 8.230 nan 0.000 0.461 91 A N 1.596 124.424 122.820 0.013 0.000 3.297 91 A HA 0.798 5.115 4.320 -0.004 0.000 0.304 91 A C -0.054 177.602 177.584 0.119 0.000 0.963 91 A CA 0.544 52.591 52.037 0.017 0.000 0.935 91 A CB -0.522 18.433 19.000 -0.076 0.000 1.093 91 A HN 2.295 nan 8.150 nan 0.000 0.480 92 S N -1.074 114.710 115.700 0.139 0.000 2.547 92 S HA 0.485 4.952 4.470 -0.004 0.000 0.270 92 S C 0.294 174.952 174.600 0.097 0.000 1.150 92 S CA 0.304 58.623 58.200 0.197 0.000 0.850 92 S CB 0.948 64.261 63.200 0.189 0.000 1.118 92 S HN 0.961 nan 8.310 nan 0.000 0.461 93 T N -0.336 114.256 114.554 0.064 0.000 3.272 93 T HA 0.448 4.796 4.350 -0.004 0.000 0.250 93 T C 0.940 175.642 174.700 0.003 0.000 1.082 93 T CA 0.265 62.380 62.100 0.024 0.000 0.968 93 T CB -0.692 68.178 68.868 0.003 0.000 1.015 93 T HN 1.020 nan 8.240 nan 0.000 0.563 94 G N 1.195 109.997 108.800 0.004 0.000 2.641 94 G HA2 0.311 4.268 3.960 -0.004 0.000 0.239 94 G HA3 0.311 4.268 3.960 -0.004 0.000 0.239 94 G C 0.667 175.555 174.900 -0.019 0.000 1.402 94 G CA -0.747 44.344 45.100 -0.015 0.000 1.046 94 G HN 0.194 nan 8.290 nan 0.000 0.565 95 N N -0.267 118.408 118.700 -0.042 0.000 2.453 95 N HA -0.073 4.664 4.740 -0.004 0.000 0.183 95 N C 2.246 177.715 175.510 -0.069 0.000 1.041 95 N CA 1.187 54.202 53.050 -0.058 0.000 0.900 95 N CB -0.335 38.095 38.487 -0.095 0.000 0.961 95 N HN 0.394 nan 8.380 nan 0.000 0.443 96 T N 0.378 114.892 114.554 -0.068 0.000 2.684 96 T HA -0.170 4.177 4.350 -0.004 0.000 0.267 96 T C 2.230 176.923 174.700 -0.012 0.000 1.036 96 T CA 1.827 63.894 62.100 -0.055 0.000 1.148 96 T CB -0.384 68.466 68.868 -0.029 0.000 0.863 96 T HN 0.486 nan 8.240 nan 0.000 0.436 97 S N 2.059 117.764 115.700 0.008 0.000 2.368 97 S HA 0.044 4.512 4.470 -0.004 0.000 0.224 97 S C 2.453 177.086 174.600 0.054 0.000 1.029 97 S CA 0.941 59.159 58.200 0.030 0.000 0.988 97 S CB -0.686 62.533 63.200 0.032 0.000 0.838 97 S HN 0.505 nan 8.310 nan 0.000 0.462 98 A N 1.511 124.365 122.820 0.057 0.000 1.902 98 A HA -0.022 4.296 4.320 -0.004 0.000 0.217 98 A C 2.496 180.149 177.584 0.116 0.000 1.181 98 A CA 2.012 54.115 52.037 0.110 0.000 0.623 98 A CB -1.464 17.587 19.000 0.084 0.000 0.818 98 A HN 0.623 nan 8.150 nan 0.000 0.443 99 S N -0.465 115.279 115.700 0.073 0.000 2.356 99 S HA -0.028 4.440 4.470 -0.004 0.000 0.223 99 S C 2.209 176.906 174.600 0.162 0.000 1.032 99 S CA 1.595 59.862 58.200 0.113 0.000 1.005 99 S CB -0.518 62.701 63.200 0.032 0.000 0.867 99 S HN 0.827 nan 8.310 nan 0.000 0.449 100 A N 1.419 124.289 122.820 0.083 0.000 1.877 100 A HA 0.152 4.470 4.320 -0.004 0.000 0.216 100 A C 2.475 180.109 177.584 0.084 0.000 1.186 100 A CA 1.982 54.065 52.037 0.076 0.000 0.620 100 A CB -1.421 17.601 19.000 0.036 0.000 0.822 100 A HN 0.789 nan 8.150 nan 0.000 0.443 101 A N -0.338 122.524 122.820 0.069 0.000 1.930 101 A HA 0.211 4.528 4.320 -0.004 0.000 0.217 101 A C 2.480 180.034 177.584 -0.050 0.000 1.175 101 A CA 1.951 54.026 52.037 0.063 0.000 0.627 101 A CB -0.925 18.155 19.000 0.134 0.000 0.815 101 A HN 1.010 nan 8.150 nan 0.000 0.443 102 A N -1.150 121.524 122.820 -0.243 0.000 1.858 102 A HA -0.082 4.236 4.320 -0.004 0.000 0.216 102 A C 2.086 179.428 177.584 -0.403 0.000 1.190 102 A CA 1.559 53.174 52.037 -0.703 0.000 0.617 102 A CB -0.860 17.674 19.000 -0.778 0.000 0.827 102 A HN 0.578 nan 8.150 nan 0.000 0.443 103 Y N -0.134 120.072 120.300 -0.156 0.000 2.293 103 Y HA -0.037 4.510 4.550 -0.004 0.000 0.291 103 Y C 2.877 178.742 175.900 -0.058 0.000 1.137 103 Y CA 0.886 58.936 58.100 -0.084 0.000 1.202 103 Y CB -0.351 38.080 38.460 -0.048 0.000 0.990 103 Y HN 0.338 nan 8.280 nan 0.000 0.537 104 A N 0.108 122.973 122.820 0.075 0.000 1.898 104 A HA -0.125 4.192 4.320 -0.004 0.000 0.216 104 A C 2.432 180.020 177.584 0.006 0.000 1.181 104 A CA 1.666 53.726 52.037 0.039 0.000 0.620 104 A CB -1.190 17.831 19.000 0.034 0.000 0.819 104 A HN 0.395 nan 8.150 nan 0.000 0.442 105 A N -0.264 122.540 122.820 -0.026 0.000 1.877 105 A HA -0.186 4.132 4.320 -0.004 0.000 0.216 105 A C 2.262 179.821 177.584 -0.041 0.000 1.186 105 A CA 1.864 53.884 52.037 -0.028 0.000 0.620 105 A CB -0.484 18.497 19.000 -0.033 0.000 0.822 105 A HN 0.549 nan 8.150 nan 0.000 0.443 106 R N -0.562 119.889 120.500 -0.081 0.000 2.075 106 R HA -0.033 4.305 4.340 -0.004 0.000 0.232 106 R C 2.259 178.547 176.300 -0.020 0.000 1.126 106 R CA 1.314 57.372 56.100 -0.069 0.000 0.963 106 R CB -0.374 29.848 30.300 -0.129 0.000 0.858 106 R HN 0.435 nan 8.270 nan 0.000 0.435 107 A N 0.005 122.828 122.820 0.005 0.000 1.972 107 A HA 0.081 4.399 4.320 -0.004 0.000 0.219 107 A C 1.234 178.821 177.584 0.006 0.000 1.169 107 A CA 1.169 53.217 52.037 0.018 0.000 0.635 107 A CB -0.586 18.436 19.000 0.035 0.000 0.810 107 A HN 0.583 nan 8.150 nan 0.000 0.446 108 G N -1.159 107.642 108.800 0.002 0.000 2.545 108 G HA2 -0.118 3.840 3.960 -0.004 0.000 0.279 108 G HA3 -0.118 3.840 3.960 -0.004 0.000 0.279 108 G C -0.386 174.515 174.900 0.001 0.000 1.131 108 G CA 0.215 45.315 45.100 0.001 0.000 1.100 108 G HN 0.584 nan 8.290 nan 0.000 0.525 109 I N 0.155 120.728 120.570 0.004 0.000 2.722 109 I HA 0.341 4.509 4.170 -0.004 0.000 0.295 109 I C 0.675 176.794 176.117 0.004 0.000 1.161 109 I CA -0.895 60.407 61.300 0.003 0.000 1.032 109 I CB 2.151 40.155 38.000 0.007 0.000 1.244 109 I HN 0.172 nan 8.210 nan 0.000 0.421 110 T N 3.550 118.102 114.554 -0.002 0.000 2.940 110 T HA 0.049 4.397 4.350 -0.004 0.000 0.309 110 T C -0.502 174.199 174.700 0.001 0.000 1.056 110 T CA 0.040 62.138 62.100 -0.004 0.000 1.137 110 T CB 0.414 69.272 68.868 -0.016 0.000 0.976 110 T HN 0.581 nan 8.240 nan 0.000 0.547 111 C N 3.519 122.823 119.300 0.006 0.000 2.381 111 C HA 0.788 5.245 4.460 -0.004 0.000 0.328 111 C C -0.102 174.892 174.990 0.008 0.000 1.190 111 C CA -0.571 58.454 59.018 0.012 0.000 1.369 111 C CB -0.920 26.836 27.740 0.027 0.000 2.029 111 C HN 1.053 nan 8.230 nan 0.000 0.448 112 A N 5.172 127.992 122.820 0.000 0.000 2.330 112 A HA 0.822 5.140 4.320 -0.004 0.000 0.327 112 A C -0.993 176.593 177.584 0.003 0.000 1.155 112 A CA -0.388 51.647 52.037 -0.004 0.000 0.803 112 A CB 1.226 20.214 19.000 -0.020 0.000 1.208 112 A HN 1.040 nan 8.150 nan 0.000 0.477 113 V N 3.815 123.734 119.914 0.008 0.000 2.407 113 V HA 0.330 4.448 4.120 -0.004 0.000 0.291 113 V C -0.254 175.850 176.094 0.016 0.000 1.018 113 V CA -0.307 62.003 62.300 0.017 0.000 0.842 113 V CB 1.107 32.945 31.823 0.026 0.000 0.996 113 V HN 0.774 nan 8.190 nan 0.000 0.426 114 L N 6.573 127.805 121.223 0.015 0.000 2.305 114 L HA 0.674 5.011 4.340 -0.004 0.000 0.281 114 L C -0.214 176.681 176.870 0.042 0.000 1.085 114 L CA -0.274 54.575 54.840 0.014 0.000 0.813 114 L CB 1.141 43.195 42.059 -0.008 0.000 1.157 114 L HN 0.696 nan 8.230 nan 0.000 0.436 115 I N 1.003 121.602 120.570 0.048 0.000 2.865 115 I HA 0.684 4.851 4.170 -0.004 0.000 0.302 115 I C -2.796 173.367 176.117 0.077 0.000 1.140 115 I CA -2.559 58.790 61.300 0.082 0.000 1.021 115 I CB 2.424 40.462 38.000 0.063 0.000 1.233 115 I HN 0.235 nan 8.210 nan 0.000 0.427 116 P HA 0.171 nan 4.420 nan 0.000 0.276 116 P C -1.189 176.147 177.300 0.060 0.000 1.252 116 P CA -0.434 62.724 63.100 0.096 0.000 0.802 116 P CB 0.515 32.306 31.700 0.152 0.000 1.035 117 Q N 0.684 120.513 119.800 0.048 0.000 2.535 117 Q HA 0.394 4.731 4.340 -0.004 0.000 0.228 117 Q C 0.364 176.383 176.000 0.031 0.000 1.062 117 Q CA 0.258 56.081 55.803 0.033 0.000 0.967 117 Q CB -0.276 28.479 28.738 0.028 0.000 1.273 117 Q HN 0.761 nan 8.270 nan 0.000 0.554 118 G N 0.974 109.787 108.800 0.022 0.000 2.545 118 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.216 118 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.216 118 G C -1.302 173.606 174.900 0.013 0.000 1.314 118 G CA -0.240 44.870 45.100 0.017 0.000 0.906 118 G HN 0.735 nan 8.290 nan 0.000 0.563 119 K N 0.001 120.406 120.400 0.009 0.000 2.451 119 K HA 0.391 4.709 4.320 -0.004 0.000 0.280 119 K C 0.204 176.807 176.600 0.004 0.000 1.020 119 K CA 0.440 56.730 56.287 0.005 0.000 1.008 119 K CB 0.425 32.925 32.500 0.001 0.000 0.917 119 K HN 0.422 nan 8.250 nan 0.000 0.478 120 I N 2.093 122.665 120.570 0.004 0.000 2.377 120 I HA 0.225 4.392 4.170 -0.004 0.000 0.293 120 I C 0.038 176.154 176.117 -0.002 0.000 0.987 120 I CA -0.768 60.534 61.300 0.003 0.000 1.185 120 I CB 1.860 39.864 38.000 0.007 0.000 1.341 120 I HN 0.580 nan 8.210 nan 0.000 0.455 121 A N 6.216 129.032 122.820 -0.006 0.000 2.415 121 A HA 0.351 4.669 4.320 -0.004 0.000 0.309 121 A C 0.840 178.421 177.584 -0.006 0.000 1.356 121 A CA -0.363 51.669 52.037 -0.009 0.000 0.998 121 A CB 0.171 19.162 19.000 -0.016 0.000 1.145 121 A HN 0.813 nan 8.150 nan 0.000 0.545 122 M N 2.636 122.234 119.600 -0.004 0.000 2.319 122 M HA 0.039 4.517 4.480 -0.004 0.000 0.265 122 M C 2.190 178.486 176.300 -0.006 0.000 1.068 122 M CA 1.729 57.026 55.300 -0.004 0.000 1.118 122 M CB -0.450 32.148 32.600 -0.004 0.000 1.395 122 M HN 0.774 nan 8.290 nan 0.000 0.435 123 G N -0.118 108.679 108.800 -0.006 0.000 2.469 123 G HA2 -0.259 3.699 3.960 -0.004 0.000 0.219 123 G HA3 -0.259 3.699 3.960 -0.004 0.000 0.219 123 G C 1.703 176.598 174.900 -0.008 0.000 1.150 123 G CA 1.032 46.129 45.100 -0.006 0.000 0.763 123 G HN 0.418 nan 8.290 nan 0.000 0.561 124 K N -0.285 120.109 120.400 -0.010 0.000 2.057 124 K HA 0.060 4.378 4.320 -0.004 0.000 0.207 124 K C 2.373 178.970 176.600 -0.005 0.000 1.049 124 K CA 0.937 57.218 56.287 -0.011 0.000 0.931 124 K CB -0.227 32.264 32.500 -0.015 0.000 0.714 124 K HN 0.297 nan 8.250 nan 0.000 0.440 125 L N 0.011 121.232 121.223 -0.003 0.000 2.446 125 L HA 0.078 4.416 4.340 -0.004 0.000 0.219 125 L C 2.322 179.189 176.870 -0.006 0.000 1.116 125 L CA 0.068 54.909 54.840 0.002 0.000 0.844 125 L CB -0.340 41.722 42.059 0.005 0.000 0.970 125 L HN 0.120 nan 8.230 nan 0.000 0.457 126 A N 0.499 123.311 122.820 -0.014 0.000 1.884 126 A HA -0.361 3.956 4.320 -0.004 0.000 0.219 126 A C 2.293 179.846 177.584 -0.051 0.000 1.197 126 A CA 2.450 54.470 52.037 -0.028 0.000 0.637 126 A CB -0.704 18.281 19.000 -0.025 0.000 0.827 126 A HN 0.506 nan 8.150 nan 0.000 0.450 127 Q N -0.839 118.932 119.800 -0.047 0.000 2.061 127 Q HA -0.171 4.166 4.340 -0.004 0.000 0.204 127 Q C 2.220 178.168 176.000 -0.087 0.000 0.984 127 Q CA 2.000 57.752 55.803 -0.085 0.000 0.846 127 Q CB -0.383 28.342 28.738 -0.022 0.000 0.902 127 Q HN 0.637 nan 8.270 nan 0.000 0.421 128 A N 0.071 122.900 122.820 0.015 0.000 1.902 128 A HA -0.139 4.179 4.320 -0.004 0.000 0.217 128 A C 2.153 179.758 177.584 0.036 0.000 1.181 128 A CA 1.506 53.587 52.037 0.073 0.000 0.623 128 A CB -0.930 18.108 19.000 0.064 0.000 0.818 128 A HN 0.396 nan 8.150 nan 0.000 0.443 129 V N -0.361 119.550 119.914 -0.005 0.000 2.667 129 V HA -0.176 3.941 4.120 -0.004 0.000 0.252 129 V C 2.231 178.303 176.094 -0.037 0.000 1.065 129 V CA 1.906 64.201 62.300 -0.009 0.000 1.083 129 V CB -0.484 31.332 31.823 -0.011 0.000 0.692 129 V HN 0.520 nan 8.190 nan 0.000 0.468 130 M N -0.426 119.113 119.600 -0.103 0.000 2.149 130 M HA -0.130 4.348 4.480 -0.004 0.000 0.261 130 M C 1.946 178.149 176.300 -0.162 0.000 1.064 130 M CA 1.711 56.907 55.300 -0.172 0.000 1.102 130 M CB -1.198 31.225 32.600 -0.295 0.000 1.369 130 M HN 0.511 nan 8.290 nan 0.000 0.408 131 H N -1.090 117.974 119.070 -0.009 0.000 2.539 131 H HA 0.242 4.796 4.556 -0.004 0.000 0.267 131 H C 1.489 176.812 175.328 -0.009 0.000 0.982 131 H CA 0.948 56.989 56.048 -0.013 0.000 1.146 131 H CB 0.069 29.823 29.762 -0.014 0.000 1.382 131 H HN 0.561 nan 8.280 nan 0.000 0.577 132 G N 0.178 109.030 108.800 0.087 0.000 2.163 132 G HA2 -0.198 3.759 3.960 -0.004 0.000 0.213 132 G HA3 -0.198 3.759 3.960 -0.004 0.000 0.213 132 G C 0.513 175.438 174.900 0.042 0.000 0.991 132 G CA 0.032 45.163 45.100 0.051 0.000 0.653 132 G HN 0.645 nan 8.290 nan 0.000 0.518 133 A N 0.657 123.508 122.820 0.053 0.000 2.540 133 A HA 0.486 4.804 4.320 -0.004 0.000 0.239 133 A C 0.706 178.302 177.584 0.019 0.000 1.061 133 A CA 0.485 52.544 52.037 0.038 0.000 0.758 133 A CB 0.301 19.328 19.000 0.045 0.000 0.991 133 A HN 0.285 nan 8.150 nan 0.000 0.502 134 K N 3.194 123.600 120.400 0.011 0.000 2.262 134 K HA 0.283 4.600 4.320 -0.004 0.000 0.282 134 K C -0.498 176.104 176.600 0.003 0.000 1.066 134 K CA -0.369 55.920 56.287 0.002 0.000 0.901 134 K CB 0.920 33.416 32.500 -0.007 0.000 1.089 134 K HN 0.492 nan 8.250 nan 0.000 0.476 135 I N 4.695 125.267 120.570 0.004 0.000 2.441 135 I HA 0.259 4.427 4.170 -0.004 0.000 0.287 135 I C 0.475 176.594 176.117 0.003 0.000 1.049 135 I CA -0.604 60.700 61.300 0.007 0.000 1.381 135 I CB 0.273 38.278 38.000 0.009 0.000 1.409 135 I HN 0.438 nan 8.210 nan 0.000 0.523 136 I N 5.921 126.493 120.570 0.004 0.000 2.468 136 I HA 0.245 4.413 4.170 -0.004 0.000 0.284 136 I C 0.028 176.149 176.117 0.007 0.000 1.038 136 I CA -0.441 60.859 61.300 0.000 0.000 1.083 136 I CB 1.616 39.611 38.000 -0.009 0.000 1.223 136 I HN 0.545 nan 8.210 nan 0.000 0.443 137 Q N 5.963 125.768 119.800 0.008 0.000 2.235 137 Q HA 0.590 4.927 4.340 -0.004 0.000 0.250 137 Q C -1.088 174.918 176.000 0.011 0.000 0.909 137 Q CA -0.500 55.312 55.803 0.014 0.000 0.910 137 Q CB 1.850 30.597 28.738 0.015 0.000 1.223 137 Q HN 0.584 nan 8.270 nan 0.000 0.432 138 I N 2.721 123.301 120.570 0.016 0.000 2.441 138 I HA 0.122 4.290 4.170 -0.004 0.000 0.295 138 I C -0.652 175.474 176.117 0.015 0.000 0.994 138 I CA -0.814 60.493 61.300 0.012 0.000 1.144 138 I CB 1.744 39.750 38.000 0.009 0.000 1.314 138 I HN 0.607 nan 8.210 nan 0.000 0.445 139 D N 5.706 126.113 120.400 0.011 0.000 2.598 139 D HA 0.364 5.002 4.640 -0.004 0.000 0.231 139 D C 0.326 176.635 176.300 0.014 0.000 1.127 139 D CA 0.657 54.665 54.000 0.012 0.000 1.126 139 D CB 0.053 40.859 40.800 0.009 0.000 1.124 139 D HN 0.782 nan 8.370 nan 0.000 0.485 140 G N 0.797 109.609 108.800 0.021 0.000 2.323 140 G HA2 0.171 4.129 3.960 -0.004 0.000 0.291 140 G HA3 0.171 4.129 3.960 -0.004 0.000 0.291 140 G C -0.935 173.989 174.900 0.039 0.000 1.278 140 G CA -0.882 44.233 45.100 0.024 0.000 0.860 140 G HN 0.440 nan 8.290 nan 0.000 0.504 141 N N -1.906 116.821 118.700 0.046 0.000 2.671 141 N HA 0.601 5.339 4.740 -0.004 0.000 0.303 141 N C 1.067 176.642 175.510 0.108 0.000 1.277 141 N CA -0.576 52.524 53.050 0.083 0.000 0.933 141 N CB 1.322 39.859 38.487 0.083 0.000 1.190 141 N HN 0.444 nan 8.380 nan 0.000 0.600 142 F N -0.404 119.546 119.950 -0.002 0.000 2.216 142 F HA -0.164 4.361 4.527 -0.004 0.000 0.300 142 F C 1.890 177.688 175.800 -0.005 0.000 1.085 142 F CA 1.618 59.615 58.000 -0.005 0.000 1.326 142 F CB -0.106 38.887 39.000 -0.011 0.000 1.027 142 F HN 0.710 nan 8.300 nan 0.000 0.497 143 D N 0.431 120.794 120.400 -0.061 0.000 2.084 143 D HA -0.219 4.418 4.640 -0.004 0.000 0.194 143 D C 1.670 177.879 176.300 -0.151 0.000 0.990 143 D CA 1.988 55.908 54.000 -0.134 0.000 0.826 143 D CB -0.410 40.373 40.800 -0.028 0.000 0.971 143 D HN 0.253 nan 8.370 nan 0.000 0.453 144 D N -0.564 119.788 120.400 -0.081 0.000 2.158 144 D HA -0.163 4.475 4.640 -0.004 0.000 0.197 144 D C 2.291 178.534 176.300 -0.095 0.000 0.995 144 D CA 0.805 54.767 54.000 -0.063 0.000 0.846 144 D CB -0.743 40.043 40.800 -0.024 0.000 0.941 144 D HN 0.327 nan 8.370 nan 0.000 0.456 145 C N -0.015 119.199 119.300 -0.144 0.000 2.432 145 C HA -0.103 4.354 4.460 -0.004 0.000 0.277 145 C C 2.647 177.513 174.990 -0.207 0.000 1.249 145 C CA 0.142 59.061 59.018 -0.166 0.000 1.725 145 C CB -0.944 26.680 27.740 -0.194 0.000 2.028 145 C HN 0.288 nan 8.230 nan 0.000 0.477 146 L N 0.634 121.665 121.223 -0.320 0.000 2.027 146 L HA -0.089 4.249 4.340 -0.004 0.000 0.206 146 L C 2.652 179.442 176.870 -0.133 0.000 1.074 146 L CA 1.713 56.404 54.840 -0.248 0.000 0.745 146 L CB -1.013 40.864 42.059 -0.304 0.000 0.898 146 L HN 0.311 nan 8.230 nan 0.000 0.433 147 E N -0.236 119.896 120.200 -0.113 0.000 2.085 147 E HA -0.232 4.115 4.350 -0.004 0.000 0.194 147 E C 2.304 178.878 176.600 -0.044 0.000 0.994 147 E CA 1.160 57.522 56.400 -0.064 0.000 0.801 147 E CB -0.241 29.428 29.700 -0.051 0.000 0.743 147 E HN 0.395 nan 8.360 nan 0.000 0.453 148 L N 0.140 121.334 121.223 -0.048 0.000 1.994 148 L HA -0.186 4.151 4.340 -0.004 0.000 0.208 148 L C 2.442 179.303 176.870 -0.015 0.000 1.071 148 L CA 1.508 56.334 54.840 -0.024 0.000 0.745 148 L CB -0.519 41.525 42.059 -0.025 0.000 0.892 148 L HN 0.092 nan 8.230 nan 0.000 0.431 149 A N -0.476 122.323 122.820 -0.035 0.000 1.940 149 A HA -0.248 4.069 4.320 -0.004 0.000 0.219 149 A C 2.360 179.941 177.584 -0.006 0.000 1.176 149 A CA 1.474 53.498 52.037 -0.022 0.000 0.631 149 A CB -0.576 18.399 19.000 -0.040 0.000 0.814 149 A HN 0.347 nan 8.150 nan 0.000 0.446 150 R N -0.046 120.444 120.500 -0.016 0.000 2.073 150 R HA -0.060 4.278 4.340 -0.004 0.000 0.229 150 R C 2.133 178.438 176.300 0.008 0.000 1.120 150 R CA 1.712 57.808 56.100 -0.007 0.000 0.967 150 R CB -0.425 29.863 30.300 -0.019 0.000 0.862 150 R HN 0.611 nan 8.270 nan 0.000 0.436 151 K N -0.032 120.375 120.400 0.011 0.000 2.057 151 K HA -0.096 4.221 4.320 -0.004 0.000 0.207 151 K C 2.265 178.904 176.600 0.065 0.000 1.049 151 K CA 1.528 57.830 56.287 0.024 0.000 0.931 151 K CB -0.025 32.488 32.500 0.021 0.000 0.714 151 K HN 0.114 nan 8.250 nan 0.000 0.440 152 M N -0.036 119.626 119.600 0.102 0.000 2.086 152 M HA -0.174 4.303 4.480 -0.004 0.000 0.261 152 M C 2.303 178.734 176.300 0.218 0.000 1.067 152 M CA 1.779 57.208 55.300 0.216 0.000 1.116 152 M CB -0.278 32.397 32.600 0.125 0.000 1.348 152 M HN 0.213 nan 8.290 nan 0.000 0.407 153 A N 0.159 123.041 122.820 0.103 0.000 1.940 153 A HA -0.062 4.256 4.320 -0.004 0.000 0.219 153 A C 2.255 179.868 177.584 0.048 0.000 1.176 153 A CA 1.952 54.032 52.037 0.072 0.000 0.631 153 A CB -0.840 18.178 19.000 0.030 0.000 0.814 153 A HN 0.532 nan 8.150 nan 0.000 0.446 154 A N -1.198 121.636 122.820 0.024 0.000 2.169 154 A HA 0.069 4.386 4.320 -0.004 0.000 0.212 154 A C 1.481 179.025 177.584 -0.066 0.000 1.153 154 A CA 1.292 53.318 52.037 -0.018 0.000 0.756 154 A CB -0.114 18.874 19.000 -0.021 0.000 0.813 154 A HN 0.405 nan 8.150 nan 0.000 0.471 155 D N -1.481 118.869 120.400 -0.083 0.000 2.338 155 D HA 0.171 4.808 4.640 -0.004 0.000 0.208 155 D C -0.671 175.270 176.300 -0.597 0.000 0.997 155 D CA 0.648 54.447 54.000 -0.336 0.000 0.880 155 D CB 0.183 40.751 40.800 -0.387 0.000 0.980 155 D HN 0.390 nan 8.370 nan 0.000 0.509 156 F N 1.377 121.315 119.950 -0.020 0.000 2.532 156 F HA 0.285 4.809 4.527 -0.004 0.000 0.365 156 F C -1.690 174.095 175.800 -0.025 0.000 1.112 156 F CA -2.023 55.965 58.000 -0.020 0.000 1.082 156 F CB 1.993 40.983 39.000 -0.017 0.000 1.319 156 F HN -0.236 nan 8.300 nan 0.000 0.457 157 P HA -0.089 nan 4.420 nan 0.000 0.236 157 P C 1.023 178.347 177.300 0.039 0.000 1.172 157 P CA 1.012 64.129 63.100 0.028 0.000 0.759 157 P CB -0.226 31.469 31.700 -0.008 0.000 0.843 158 T N -4.224 110.382 114.554 0.087 0.000 3.022 158 T HA 0.147 4.495 4.350 -0.004 0.000 0.250 158 T C 0.976 175.702 174.700 0.043 0.000 1.060 158 T CA -0.165 61.970 62.100 0.058 0.000 1.013 158 T CB -0.013 68.893 68.868 0.064 0.000 0.982 158 T HN -0.130 nan 8.240 nan 0.000 0.508 159 I N 2.209 122.821 120.570 0.069 0.000 2.472 159 I HA 0.459 4.627 4.170 -0.004 0.000 0.290 159 I C 0.167 176.299 176.117 0.024 0.000 1.016 159 I CA -0.494 60.828 61.300 0.037 0.000 1.348 159 I CB 1.196 39.226 38.000 0.051 0.000 1.417 159 I HN 0.143 nan 8.210 nan 0.000 0.521 160 S N 6.410 122.116 115.700 0.009 0.000 2.718 160 S HA 0.361 4.828 4.470 -0.004 0.000 0.294 160 S C -0.752 173.849 174.600 0.002 0.000 1.157 160 S CA -0.622 57.578 58.200 0.001 0.000 1.121 160 S CB 0.348 63.546 63.200 -0.003 0.000 1.015 160 S HN 0.427 nan 8.310 nan 0.000 0.479 161 L N 6.965 128.190 121.223 0.003 0.000 2.500 161 L HA 0.283 4.620 4.340 -0.004 0.000 0.272 161 L C 0.531 177.401 176.870 0.001 0.000 1.149 161 L CA 0.475 55.316 54.840 0.001 0.000 0.897 161 L CB 0.838 42.898 42.059 0.001 0.000 1.178 161 L HN 0.571 nan 8.230 nan 0.000 0.473 162 V N 2.509 122.423 119.914 0.000 0.000 3.023 162 V HA 0.343 4.461 4.120 -0.004 0.000 0.384 162 V C 0.484 176.579 176.094 0.000 0.000 1.289 162 V CA -0.668 61.631 62.300 -0.002 0.000 1.383 162 V CB -1.145 30.674 31.823 -0.007 0.000 1.388 162 V HN 0.861 nan 8.190 nan 0.000 0.551 163 N N 0.262 118.965 118.700 0.005 0.000 2.379 163 N HA 0.162 4.900 4.740 -0.004 0.000 0.260 163 N C 1.162 176.685 175.510 0.021 0.000 1.254 163 N CA 0.327 53.385 53.050 0.013 0.000 0.958 163 N CB 0.737 39.230 38.487 0.010 0.000 1.208 163 N HN 0.205 nan 8.380 nan 0.000 0.532 164 S N -0.639 115.081 115.700 0.033 0.000 2.392 164 S HA -0.174 4.293 4.470 -0.004 0.000 0.232 164 S C 1.561 176.190 174.600 0.049 0.000 1.041 164 S CA 1.763 59.992 58.200 0.049 0.000 1.026 164 S CB -0.851 62.384 63.200 0.059 0.000 0.845 164 S HN 0.609 nan 8.310 nan 0.000 0.465 165 V N 0.382 120.321 119.914 0.042 0.000 3.620 165 V HA 0.190 4.308 4.120 -0.004 0.000 0.286 165 V C 0.601 176.715 176.094 0.034 0.000 1.288 165 V CA -0.370 61.956 62.300 0.043 0.000 1.178 165 V CB -1.187 30.664 31.823 0.046 0.000 0.986 165 V HN 0.347 nan 8.190 nan 0.000 0.431 166 N N 2.569 121.286 118.700 0.027 0.000 2.427 166 N HA 0.089 4.827 4.740 -0.004 0.000 0.269 166 N C -1.503 174.022 175.510 0.025 0.000 1.235 166 N CA -1.034 52.029 53.050 0.021 0.000 0.934 166 N CB 1.840 40.335 38.487 0.014 0.000 1.121 166 N HN 0.158 nan 8.380 nan 0.000 0.480 167 P HA -0.143 nan 4.420 nan 0.000 0.216 167 P C 1.399 178.718 177.300 0.031 0.000 1.150 167 P CA 0.794 63.913 63.100 0.031 0.000 0.837 167 P CB 0.353 32.074 31.700 0.034 0.000 0.786 168 V N -0.304 119.633 119.914 0.038 0.000 2.358 168 V HA -0.199 3.918 4.120 -0.004 0.000 0.246 168 V C 2.487 178.591 176.094 0.017 0.000 1.047 168 V CA 1.609 63.937 62.300 0.046 0.000 1.035 168 V CB -1.052 30.815 31.823 0.074 0.000 0.658 168 V HN 0.049 nan 8.190 nan 0.000 0.452 169 R N -0.256 120.249 120.500 0.008 0.000 2.091 169 R HA -0.129 4.208 4.340 -0.004 0.000 0.238 169 R C 2.266 178.563 176.300 -0.005 0.000 1.136 169 R CA 1.857 57.953 56.100 -0.006 0.000 0.959 169 R CB -0.445 29.856 30.300 0.003 0.000 0.856 169 R HN 0.442 nan 8.270 nan 0.000 0.437 170 I N 0.714 121.285 120.570 0.002 0.000 2.315 170 I HA -0.221 3.946 4.170 -0.004 0.000 0.248 170 I C 2.267 178.343 176.117 -0.069 0.000 1.117 170 I CA 1.036 62.327 61.300 -0.015 0.000 1.404 170 I CB -0.148 37.857 38.000 0.008 0.000 1.071 170 I HN 0.105 nan 8.210 nan 0.000 0.419 171 E N 0.824 120.994 120.200 -0.050 0.000 2.038 171 E HA -0.189 4.159 4.350 -0.004 0.000 0.195 171 E C 2.309 178.839 176.600 -0.118 0.000 1.000 171 E CA 1.585 57.941 56.400 -0.073 0.000 0.803 171 E CB -0.732 28.958 29.700 -0.016 0.000 0.750 171 E HN 0.553 nan 8.360 nan 0.000 0.448 172 G N 1.051 109.805 108.800 -0.076 0.000 2.446 172 G HA2 -0.312 3.646 3.960 -0.004 0.000 0.217 172 G HA3 -0.312 3.646 3.960 -0.004 0.000 0.217 172 G C 1.538 176.353 174.900 -0.141 0.000 1.168 172 G CA 0.779 45.831 45.100 -0.080 0.000 0.771 172 G HN 0.272 nan 8.290 nan 0.000 0.551 173 Q N 0.173 119.896 119.800 -0.129 0.000 2.364 173 Q HA -0.018 4.319 4.340 -0.004 0.000 0.207 173 Q C 2.401 178.150 176.000 -0.418 0.000 0.970 173 Q CA 1.143 56.853 55.803 -0.155 0.000 0.888 173 Q CB -0.030 28.706 28.738 -0.004 0.000 0.951 173 Q HN 0.729 nan 8.270 nan 0.000 0.469 174 K N 0.118 120.223 120.400 -0.492 0.000 2.442 174 K HA -0.073 4.244 4.320 -0.004 0.000 0.198 174 K C 1.596 177.470 176.600 -1.210 0.000 1.042 174 K CA 1.586 57.406 56.287 -0.778 0.000 0.958 174 K CB -0.107 31.997 32.500 -0.660 0.000 0.766 174 K HN 0.106 nan 8.250 nan 0.000 0.474 175 T N -1.988 111.981 114.554 -0.976 0.000 2.995 175 T HA 0.099 4.447 4.350 -0.004 0.000 0.269 175 T C 2.159 176.439 174.700 -0.699 0.000 1.091 175 T CA 0.589 62.070 62.100 -1.032 0.000 1.128 175 T CB -0.105 68.512 68.868 -0.418 0.000 0.891 175 T HN 0.287 nan 8.240 nan 0.000 0.492 176 A N 1.912 124.353 122.820 -0.632 0.000 1.940 176 A HA 0.244 4.562 4.320 -0.004 0.000 0.219 176 A C 2.798 180.070 177.584 -0.520 0.000 1.176 176 A CA 1.813 53.564 52.037 -0.477 0.000 0.631 176 A CB -1.360 17.316 19.000 -0.541 0.000 0.814 176 A HN 0.733 nan 8.150 nan 0.000 0.446 177 A N -0.900 121.368 122.820 -0.919 0.000 1.933 177 A HA 0.030 4.347 4.320 -0.004 0.000 0.218 177 A C 1.874 179.145 177.584 -0.522 0.000 1.175 177 A CA 1.537 53.039 52.037 -0.892 0.000 0.628 177 A CB -0.676 17.528 19.000 -1.327 0.000 0.814 177 A HN 0.441 nan 8.150 nan 0.000 0.444 178 F N 0.493 120.001 119.950 -0.737 0.000 2.171 178 F HA -0.084 4.440 4.527 -0.005 0.000 0.300 178 F C 2.352 178.035 175.800 -0.195 0.000 1.090 178 F CA 1.045 58.576 58.000 -0.780 0.000 1.293 178 F CB -1.171 37.187 39.000 -1.069 0.000 1.013 178 F HN 0.384 nan 8.300 nan 0.000 0.486 179 E N 0.375 120.635 120.200 0.101 0.000 2.047 179 E HA -0.166 4.181 4.350 -0.004 0.000 0.191 179 E C 2.344 179.018 176.600 0.124 0.000 0.987 179 E CA 1.230 57.738 56.400 0.181 0.000 0.799 179 E CB -0.352 29.397 29.700 0.081 0.000 0.752 179 E HN 0.314 nan 8.360 nan 0.000 0.449 180 I N 0.959 121.586 120.570 0.094 0.000 2.113 180 I HA -0.326 3.842 4.170 -0.004 0.000 0.242 180 I C 2.381 178.602 176.117 0.174 0.000 1.064 180 I CA 1.156 62.541 61.300 0.142 0.000 1.320 180 I CB -0.362 37.789 38.000 0.253 0.000 1.028 180 I HN 0.001 nan 8.210 nan 0.000 0.406 181 V N 0.396 120.454 119.914 0.240 0.000 2.307 181 V HA -0.281 3.836 4.120 -0.004 0.000 0.245 181 V C 2.090 178.344 176.094 0.267 0.000 1.045 181 V CA 2.018 64.499 62.300 0.301 0.000 1.024 181 V CB -0.752 31.354 31.823 0.471 0.000 0.651 181 V HN 0.368 nan 8.190 nan 0.000 0.449 182 D N 0.422 121.010 120.400 0.314 0.000 2.170 182 D HA -0.188 4.449 4.640 -0.004 0.000 0.193 182 D C 2.071 178.465 176.300 0.156 0.000 1.004 182 D CA 2.008 56.166 54.000 0.263 0.000 0.860 182 D CB -0.345 40.649 40.800 0.323 0.000 0.931 182 D HN 0.523 nan 8.370 nan 0.000 0.448 183 V N -1.729 118.253 119.914 0.114 0.000 2.992 183 V HA 0.073 4.191 4.120 -0.004 0.000 0.250 183 V C 1.959 178.070 176.094 0.029 0.000 1.090 183 V CA 0.629 62.962 62.300 0.054 0.000 1.101 183 V CB -0.241 31.590 31.823 0.012 0.000 0.743 183 V HN 0.138 nan 8.190 nan 0.000 0.468 184 L N 0.867 122.113 121.223 0.038 0.000 2.249 184 L HA 0.415 4.753 4.340 -0.004 0.000 0.207 184 L C 2.196 179.098 176.870 0.054 0.000 1.090 184 L CA 1.132 55.982 54.840 0.017 0.000 0.802 184 L CB -0.501 41.564 42.059 0.010 0.000 0.947 184 L HN 0.595 nan 8.230 nan 0.000 0.453 185 G N 0.586 109.438 108.800 0.086 0.000 2.199 185 G HA2 -0.261 3.696 3.960 -0.004 0.000 0.254 185 G HA3 -0.261 3.696 3.960 -0.004 0.000 0.254 185 G C 0.344 175.300 174.900 0.093 0.000 0.982 185 G CA 0.378 45.527 45.100 0.082 0.000 0.632 185 G HN 0.436 nan 8.290 nan 0.000 0.529 186 T N -2.449 112.173 114.554 0.114 0.000 2.769 186 T HA 0.827 5.174 4.350 -0.004 0.000 0.306 186 T C 0.038 174.833 174.700 0.157 0.000 1.400 186 T CA 0.288 62.463 62.100 0.125 0.000 1.007 186 T CB 1.331 70.246 68.868 0.078 0.000 1.392 186 T HN 1.802 nan 8.240 nan 0.000 0.500 187 A N 1.873 124.781 122.820 0.145 0.000 2.406 187 A HA 0.675 4.993 4.320 -0.004 0.000 0.243 187 A C -2.139 175.469 177.584 0.040 0.000 1.082 187 A CA -1.152 50.939 52.037 0.091 0.000 0.786 187 A CB -0.780 18.160 19.000 -0.100 0.000 1.029 187 A HN 0.723 nan 8.150 nan 0.000 0.495 188 P HA 0.135 nan 4.420 nan 0.000 0.272 188 P C -0.393 176.889 177.300 -0.030 0.000 1.240 188 P CA -0.077 63.039 63.100 0.027 0.000 0.791 188 P CB 0.515 32.249 31.700 0.058 0.000 0.978 189 D N -0.861 119.527 120.400 -0.020 0.000 2.117 189 D HA -0.065 4.573 4.640 -0.004 0.000 0.197 189 D C 0.495 176.765 176.300 -0.049 0.000 0.987 189 D CA 1.400 55.371 54.000 -0.048 0.000 0.829 189 D CB -0.032 40.736 40.800 -0.053 0.000 0.961 189 D HN 0.184 nan 8.370 nan 0.000 0.460 190 V N -0.725 119.183 119.914 -0.011 0.000 2.709 190 V HA 0.428 4.545 4.120 -0.004 0.000 0.308 190 V C -1.604 174.523 176.094 0.055 0.000 1.062 190 V CA -0.951 61.375 62.300 0.043 0.000 0.901 190 V CB 1.902 33.802 31.823 0.128 0.000 1.003 190 V HN 0.118 nan 8.190 nan 0.000 0.425 191 H N 4.924 124.001 119.070 0.011 0.000 2.519 191 H HA 0.807 5.361 4.556 -0.003 0.000 0.316 191 H C 0.051 175.358 175.328 -0.036 0.000 1.065 191 H CA 0.329 56.390 56.048 0.021 0.000 1.264 191 H CB 1.578 31.412 29.762 0.119 0.000 1.413 191 H HN 1.153 nan 8.280 nan 0.000 0.465 192 A N 6.707 129.472 122.820 -0.092 0.000 2.288 192 A HA 0.599 4.916 4.320 -0.004 0.000 0.320 192 A C -0.983 176.584 177.584 -0.030 0.000 1.217 192 A CA -0.691 51.324 52.037 -0.036 0.000 0.840 192 A CB 0.199 19.161 19.000 -0.065 0.000 1.179 192 A HN 0.735 nan 8.150 nan 0.000 0.504 193 L N 0.134 121.332 121.223 -0.042 0.000 2.479 193 L HA 0.872 5.210 4.340 -0.004 0.000 0.255 193 L C -3.105 173.723 176.870 -0.071 0.000 1.026 193 L CA -2.545 52.236 54.840 -0.098 0.000 0.842 193 L CB 2.348 44.257 42.059 -0.250 0.000 1.444 193 L HN 0.349 nan 8.230 nan 0.000 0.409 194 P HA 0.423 nan 4.420 nan 0.000 0.282 194 P C -1.146 176.139 177.300 -0.024 0.000 1.259 194 P CA -0.525 62.556 63.100 -0.030 0.000 0.826 194 P CB 2.089 33.782 31.700 -0.011 0.000 1.064 195 V N 1.500 121.402 119.914 -0.020 0.000 2.482 195 V HA 0.523 4.640 4.120 -0.004 0.000 0.295 195 V C 0.931 176.985 176.094 -0.067 0.000 1.026 195 V CA -0.010 62.273 62.300 -0.029 0.000 0.856 195 V CB 1.128 32.942 31.823 -0.014 0.000 1.001 195 V HN 0.839 nan 8.190 nan 0.000 0.424 196 G N 2.494 111.269 108.800 -0.040 0.000 2.687 196 G HA2 0.027 3.984 3.960 -0.004 0.000 0.222 196 G HA3 0.027 3.984 3.960 -0.004 0.000 0.222 196 G C 0.812 175.652 174.900 -0.101 0.000 1.445 196 G CA 0.182 45.242 45.100 -0.067 0.000 0.836 196 G HN 0.532 nan 8.290 nan 0.000 0.598 197 N N 0.749 119.426 118.700 -0.038 0.000 2.412 197 N HA 0.164 4.902 4.740 -0.004 0.000 0.184 197 N C 1.448 176.932 175.510 -0.043 0.000 1.101 197 N CA 0.894 53.918 53.050 -0.043 0.000 0.881 197 N CB 0.798 39.295 38.487 0.017 0.000 0.969 197 N HN 0.495 nan 8.380 nan 0.000 0.459 198 A N -0.547 122.260 122.820 -0.022 0.000 3.080 198 A HA -0.168 4.150 4.320 -0.004 0.000 0.254 198 A C 1.657 179.279 177.584 0.063 0.000 1.277 198 A CA 1.225 53.264 52.037 0.004 0.000 1.065 198 A CB -2.276 16.695 19.000 -0.048 0.000 1.160 198 A HN 0.393 nan 8.150 nan 0.000 0.886 199 G N -0.426 108.426 108.800 0.087 0.000 2.422 199 G HA2 -0.154 3.803 3.960 -0.004 0.000 0.218 199 G HA3 -0.154 3.803 3.960 -0.004 0.000 0.218 199 G C 1.204 176.174 174.900 0.117 0.000 1.140 199 G CA 1.531 46.697 45.100 0.110 0.000 0.775 199 G HN 0.634 nan 8.290 nan 0.000 0.545 200 N N 0.432 119.197 118.700 0.107 0.000 2.148 200 N HA 0.012 4.749 4.740 -0.004 0.000 0.186 200 N C 2.141 177.714 175.510 0.105 0.000 1.031 200 N CA 0.663 53.729 53.050 0.027 0.000 0.848 200 N CB -0.266 38.065 38.487 -0.260 0.000 1.005 200 N HN 0.300 nan 8.380 nan 0.000 0.427 201 I N 0.595 121.203 120.570 0.063 0.000 2.248 201 I HA -0.304 3.863 4.170 -0.004 0.000 0.248 201 I C 1.603 177.824 176.117 0.173 0.000 1.107 201 I CA 1.317 62.668 61.300 0.085 0.000 1.373 201 I CB -0.381 37.669 38.000 0.084 0.000 1.055 201 I HN 0.114 nan 8.210 nan 0.000 0.418 202 T N 0.945 115.594 114.554 0.158 0.000 2.652 202 T HA -0.201 4.146 4.350 -0.004 0.000 0.267 202 T C 1.945 176.737 174.700 0.154 0.000 1.039 202 T CA 1.622 63.831 62.100 0.182 0.000 1.153 202 T CB -0.565 68.385 68.868 0.137 0.000 0.863 202 T HN 0.583 nan 8.240 nan 0.000 0.428 203 A N 0.319 123.182 122.820 0.073 0.000 1.877 203 A HA -0.100 4.218 4.320 -0.004 0.000 0.216 203 A C 2.081 179.567 177.584 -0.164 0.000 1.186 203 A CA 1.521 53.517 52.037 -0.068 0.000 0.620 203 A CB -1.148 17.773 19.000 -0.131 0.000 0.822 203 A HN 0.562 nan 8.150 nan 0.000 0.443 204 Y N -1.704 118.487 120.300 -0.181 0.000 2.165 204 Y HA -0.261 4.287 4.550 -0.004 0.000 0.286 204 Y C 2.346 178.217 175.900 -0.048 0.000 1.155 204 Y CA 1.665 59.598 58.100 -0.277 0.000 1.164 204 Y CB -0.366 37.914 38.460 -0.301 0.000 0.978 204 Y HN 0.618 nan 8.280 nan 0.000 0.513 205 W N 1.386 122.736 121.300 0.082 0.000 2.402 205 W HA -0.204 4.453 4.660 -0.005 0.000 0.286 205 W C 2.272 178.838 176.519 0.079 0.000 1.221 205 W CA 1.523 58.944 57.345 0.128 0.000 1.257 205 W CB -0.080 29.443 29.460 0.105 0.000 1.120 205 W HN 0.095 nan 8.180 nan 0.000 0.551 206 K N 0.424 120.803 120.400 -0.036 0.000 2.057 206 K HA -0.109 4.208 4.320 -0.004 0.000 0.206 206 K C 2.182 178.668 176.600 -0.190 0.000 1.050 206 K CA 1.875 58.072 56.287 -0.150 0.000 0.935 206 K CB -0.772 31.678 32.500 -0.083 0.000 0.715 206 K HN 0.101 nan 8.250 nan 0.000 0.439 207 G N 0.048 108.679 108.800 -0.281 0.000 2.414 207 G HA2 -0.239 3.719 3.960 -0.004 0.000 0.215 207 G HA3 -0.239 3.719 3.960 -0.004 0.000 0.215 207 G C 1.124 175.947 174.900 -0.128 0.000 1.188 207 G CA 0.764 45.627 45.100 -0.394 0.000 0.783 207 G HN 0.271 nan 8.290 nan 0.000 0.537 208 Y N 1.946 122.185 120.300 -0.102 0.000 2.165 208 Y HA -0.175 4.373 4.550 -0.003 0.000 0.286 208 Y C 3.401 179.244 175.900 -0.096 0.000 1.155 208 Y CA 1.682 59.759 58.100 -0.037 0.000 1.164 208 Y CB -1.030 37.459 38.460 0.049 0.000 0.978 208 Y HN 0.342 nan 8.280 nan 0.000 0.513 209 T N -2.552 111.874 114.554 -0.213 0.000 2.915 209 T HA -0.158 4.189 4.350 -0.004 0.000 0.269 209 T C 1.710 176.399 174.700 -0.017 0.000 1.071 209 T CA 1.362 63.315 62.100 -0.245 0.000 1.132 209 T CB -0.241 68.298 68.868 -0.549 0.000 0.878 209 T HN 0.372 nan 8.240 nan 0.000 0.479 210 E N -0.411 119.815 120.200 0.044 0.000 2.150 210 E HA -0.085 4.262 4.350 -0.004 0.000 0.193 210 E C 1.732 178.452 176.600 0.201 0.000 0.985 210 E CA 0.831 57.304 56.400 0.123 0.000 0.814 210 E CB -0.103 29.726 29.700 0.215 0.000 0.752 210 E HN 0.555 nan 8.360 nan 0.000 0.466 211 Y N -0.374 119.944 120.300 0.029 0.000 2.243 211 Y HA -0.132 4.415 4.550 -0.005 0.000 0.293 211 Y C 2.307 178.237 175.900 0.050 0.000 1.124 211 Y CA 1.243 59.340 58.100 -0.004 0.000 1.159 211 Y CB -0.737 37.763 38.460 0.066 0.000 1.008 211 Y HN 0.209 nan 8.280 nan 0.000 0.527 212 H N 0.098 119.252 119.070 0.140 0.000 2.387 212 H HA -0.155 4.399 4.556 -0.003 0.000 0.299 212 H C 2.197 177.530 175.328 0.008 0.000 1.099 212 H CA 2.176 58.255 56.048 0.051 0.000 1.315 212 H CB -0.102 29.675 29.762 0.025 0.000 1.380 212 H HN 0.241 nan 8.280 nan 0.000 0.513 213 Q N -0.106 119.630 119.800 -0.107 0.000 2.230 213 Q HA -0.066 4.272 4.340 -0.004 0.000 0.202 213 Q C 1.380 177.301 176.000 -0.131 0.000 0.963 213 Q CA 0.711 56.410 55.803 -0.173 0.000 0.866 213 Q CB -0.006 28.679 28.738 -0.088 0.000 0.931 213 Q HN 0.431 nan 8.270 nan 0.000 0.452 214 L N 0.042 121.208 121.223 -0.096 0.000 2.599 214 L HA 0.156 4.494 4.340 -0.004 0.000 0.230 214 L C 1.229 178.012 176.870 -0.145 0.000 1.141 214 L CA 1.335 56.097 54.840 -0.130 0.000 0.877 214 L CB -0.551 41.401 42.059 -0.179 0.000 1.009 214 L HN 0.400 nan 8.230 nan 0.000 0.447 215 G N -0.534 108.190 108.800 -0.126 0.000 2.198 215 G HA2 -0.291 3.666 3.960 -0.004 0.000 0.257 215 G HA3 -0.291 3.666 3.960 -0.004 0.000 0.257 215 G C 0.892 175.740 174.900 -0.085 0.000 1.042 215 G CA 0.548 45.592 45.100 -0.093 0.000 0.791 215 G HN 0.397 nan 8.290 nan 0.000 0.502 216 L N -0.731 120.428 121.223 -0.107 0.000 2.590 216 L HA 0.465 4.803 4.340 -0.004 0.000 0.227 216 L C 1.412 178.285 176.870 0.005 0.000 1.099 216 L CA 0.545 55.293 54.840 -0.152 0.000 0.872 216 L CB 0.047 41.805 42.059 -0.500 0.000 1.088 216 L HN 0.583 nan 8.230 nan 0.000 0.479 217 I N -6.250 114.383 120.570 0.105 0.000 3.191 217 I HA 0.409 4.577 4.170 -0.004 0.000 0.313 217 I C -0.521 175.707 176.117 0.184 0.000 1.193 217 I CA -0.811 60.574 61.300 0.142 0.000 0.968 217 I CB 1.905 40.013 38.000 0.180 0.000 1.262 217 I HN -0.247 nan 8.210 nan 0.000 0.456 218 D N 0.586 121.056 120.400 0.116 0.000 2.531 218 D HA 0.082 4.719 4.640 -0.004 0.000 0.263 218 D C -0.212 176.081 176.300 -0.013 0.000 1.057 218 D CA 0.457 54.523 54.000 0.109 0.000 0.909 218 D CB 0.709 41.550 40.800 0.069 0.000 1.236 218 D HN 0.582 nan 8.370 nan 0.000 0.494 219 K N 1.361 121.743 120.400 -0.030 0.000 2.156 219 K HA 0.577 4.894 4.320 -0.004 0.000 0.271 219 K C -0.331 176.208 176.600 -0.101 0.000 0.995 219 K CA -0.456 55.787 56.287 -0.073 0.000 0.890 219 K CB 2.038 34.514 32.500 -0.039 0.000 1.073 219 K HN -0.137 nan 8.250 nan 0.000 0.454 220 L N 3.293 124.446 121.223 -0.116 0.000 2.344 220 L HA 0.488 4.826 4.340 -0.004 0.000 0.272 220 L C -1.999 174.855 176.870 -0.026 0.000 1.035 220 L CA -2.287 52.528 54.840 -0.041 0.000 0.807 220 L CB 1.316 43.432 42.059 0.095 0.000 1.237 220 L HN 0.640 nan 8.230 nan 0.000 0.442 221 P HA 0.232 nan 4.420 nan 0.000 0.276 221 P C -1.225 176.058 177.300 -0.029 0.000 1.252 221 P CA -0.641 62.393 63.100 -0.111 0.000 0.802 221 P CB 0.651 32.175 31.700 -0.292 0.000 1.035 222 R N 1.346 121.829 120.500 -0.028 0.000 2.221 222 R HA 0.379 4.716 4.340 -0.004 0.000 0.327 222 R C 0.024 176.357 176.300 0.056 0.000 1.033 222 R CA -0.591 55.512 56.100 0.006 0.000 0.887 222 R CB 0.448 30.779 30.300 0.051 0.000 1.057 222 R HN 0.429 nan 8.270 nan 0.000 0.455 223 M N 4.599 124.150 119.600 -0.082 0.000 2.108 223 M HA 0.153 4.630 4.480 -0.004 0.000 0.347 223 M C -0.518 175.684 176.300 -0.164 0.000 1.326 223 M CA -0.855 54.386 55.300 -0.098 0.000 1.126 223 M CB 0.474 32.946 32.600 -0.213 0.000 1.606 223 M HN 0.325 nan 8.290 nan 0.000 0.462 224 L N 3.828 124.990 121.223 -0.102 0.000 2.265 224 L HA 0.745 5.083 4.340 -0.004 0.000 0.289 224 L C 0.032 176.801 176.870 -0.168 0.000 1.033 224 L CA 0.119 54.820 54.840 -0.230 0.000 0.814 224 L CB 1.238 43.189 42.059 -0.180 0.000 1.203 224 L HN 0.720 nan 8.230 nan 0.000 0.423 225 G N 3.095 111.788 108.800 -0.179 0.000 2.417 225 G HA2 0.550 4.508 3.960 -0.004 0.000 0.320 225 G HA3 0.550 4.508 3.960 -0.004 0.000 0.320 225 G C -0.803 174.132 174.900 0.057 0.000 1.204 225 G CA -0.364 44.746 45.100 0.017 0.000 0.923 225 G HN 0.563 nan 8.290 nan 0.000 0.466 226 T N 2.662 117.218 114.554 0.003 0.000 2.795 226 T HA 0.471 4.819 4.350 -0.004 0.000 0.282 226 T C -0.051 174.636 174.700 -0.023 0.000 0.980 226 T CA -0.370 61.721 62.100 -0.016 0.000 1.012 226 T CB 1.634 70.480 68.868 -0.037 0.000 0.936 226 T HN 0.510 nan 8.240 nan 0.000 0.457 227 Q N 0.950 120.727 119.800 -0.038 0.000 2.348 227 Q HA 0.667 5.005 4.340 -0.004 0.000 0.271 227 Q C -0.449 175.517 176.000 -0.057 0.000 1.067 227 Q CA -1.084 54.679 55.803 -0.067 0.000 0.839 227 Q CB 2.348 31.021 28.738 -0.109 0.000 1.354 227 Q HN 0.815 nan 8.270 nan 0.000 0.447 228 A N 0.842 123.626 122.820 -0.060 0.000 2.462 228 A HA 0.346 4.664 4.320 -0.004 0.000 0.243 228 A C 1.068 178.622 177.584 -0.051 0.000 1.076 228 A CA 0.617 52.622 52.037 -0.052 0.000 0.773 228 A CB 0.264 19.231 19.000 -0.055 0.000 1.010 228 A HN 0.932 nan 8.150 nan 0.000 0.493 229 A N 2.302 125.098 122.820 -0.039 0.000 2.024 229 A HA 0.036 4.353 4.320 -0.004 0.000 0.220 229 A C 1.950 179.515 177.584 -0.033 0.000 1.164 229 A CA 2.139 54.156 52.037 -0.033 0.000 0.643 229 A CB -0.741 18.244 19.000 -0.024 0.000 0.806 229 A HN 1.453 nan 8.150 nan 0.000 0.451 230 G N -2.144 106.635 108.800 -0.034 0.000 3.042 230 G HA2 0.407 4.365 3.960 -0.004 0.000 0.212 230 G HA3 0.407 4.365 3.960 -0.004 0.000 0.212 230 G C 0.413 175.291 174.900 -0.037 0.000 1.166 230 G CA 0.791 45.874 45.100 -0.028 0.000 0.767 230 G HN 1.111 nan 8.290 nan 0.000 0.546 231 A N -0.009 122.778 122.820 -0.055 0.000 3.409 231 A HA 0.709 5.026 4.320 -0.004 0.000 0.282 231 A C 0.199 177.722 177.584 -0.103 0.000 1.064 231 A CA 0.265 52.256 52.037 -0.076 0.000 0.889 231 A CB 0.327 19.277 19.000 -0.083 0.000 1.251 231 A HN 0.745 nan 8.150 nan 0.000 0.538 232 A N 2.013 124.775 122.820 -0.096 0.000 3.113 232 A HA 0.633 4.951 4.320 -0.004 0.000 0.307 232 A C -1.473 176.030 177.584 -0.135 0.000 1.025 232 A CA -0.927 51.040 52.037 -0.117 0.000 1.012 232 A CB 0.188 19.141 19.000 -0.078 0.000 1.085 232 A HN 0.344 nan 8.150 nan 0.000 0.519 233 P HA -0.105 nan 4.420 nan 0.000 0.223 233 P C 1.222 178.419 177.300 -0.172 0.000 1.151 233 P CA 0.726 63.736 63.100 -0.151 0.000 0.787 233 P CB 0.226 31.773 31.700 -0.255 0.000 0.788 234 L N -1.136 119.873 121.223 -0.357 0.000 2.341 234 L HA -0.036 4.301 4.340 -0.004 0.000 0.214 234 L C 2.557 179.279 176.870 -0.246 0.000 1.115 234 L CA 0.556 55.118 54.840 -0.463 0.000 0.820 234 L CB -0.472 40.941 42.059 -1.077 0.000 0.944 234 L HN -0.188 nan 8.230 nan 0.000 0.452 235 V N 0.020 119.847 119.914 -0.145 0.000 2.283 235 V HA -0.221 3.897 4.120 -0.004 0.000 0.243 235 V C 2.082 178.177 176.094 0.002 0.000 1.039 235 V CA 1.487 63.770 62.300 -0.028 0.000 1.016 235 V CB -0.354 31.450 31.823 -0.031 0.000 0.650 235 V HN 0.343 nan 8.190 nan 0.000 0.449 236 L N 0.509 121.729 121.223 -0.005 0.000 2.492 236 L HA 0.325 4.662 4.340 -0.004 0.000 0.223 236 L C 1.829 178.727 176.870 0.047 0.000 1.132 236 L CA 0.896 55.748 54.840 0.019 0.000 0.850 236 L CB -0.808 41.259 42.059 0.014 0.000 0.966 236 L HN 0.568 nan 8.230 nan 0.000 0.454 237 G N 0.757 109.601 108.800 0.073 0.000 2.159 237 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.256 237 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.256 237 G C 0.067 175.057 174.900 0.149 0.000 0.977 237 G CA 0.432 45.601 45.100 0.115 0.000 0.652 237 G HN 0.597 nan 8.290 nan 0.000 0.531 238 E N -0.475 119.828 120.200 0.173 0.000 2.367 238 E HA 0.619 4.967 4.350 -0.004 0.000 0.273 238 E C -3.230 173.540 176.600 0.283 0.000 0.903 238 E CA -2.650 53.863 56.400 0.187 0.000 0.764 238 E CB 2.111 31.865 29.700 0.090 0.000 1.252 238 E HN 0.055 nan 8.360 nan 0.000 0.446 239 P HA 0.011 nan 4.420 nan 0.000 0.268 239 P C -0.672 176.708 177.300 0.133 0.000 1.208 239 P CA -0.282 63.031 63.100 0.356 0.000 0.777 239 P CB 0.539 32.437 31.700 0.329 0.000 0.875 240 V N 2.685 122.634 119.914 0.057 0.000 2.370 240 V HA 0.074 4.191 4.120 -0.004 0.000 0.283 240 V C 1.265 177.351 176.094 -0.014 0.000 1.023 240 V CA 0.201 62.511 62.300 0.016 0.000 0.857 240 V CB 1.156 32.968 31.823 -0.019 0.000 0.985 240 V HN 0.566 nan 8.190 nan 0.000 0.443 241 S N 3.058 118.755 115.700 -0.005 0.000 2.355 241 S HA -0.089 4.379 4.470 -0.004 0.000 0.222 241 S C 0.423 174.787 174.600 -0.393 0.000 1.031 241 S CA 1.328 59.462 58.200 -0.110 0.000 0.993 241 S CB -0.157 63.084 63.200 0.069 0.000 0.859 241 S HN 0.887 nan 8.310 nan 0.000 0.453 242 H N 0.933 120.002 119.070 -0.002 0.000 2.569 242 H HA 0.363 4.916 4.556 -0.004 0.000 0.247 242 H C -2.770 172.539 175.328 -0.031 0.000 1.346 242 H CA -1.836 54.202 56.048 -0.016 0.000 1.502 242 H CB 0.533 30.288 29.762 -0.013 0.000 1.512 242 H HN 0.196 nan 8.280 nan 0.000 0.502 243 P HA 0.072 nan 4.420 nan 0.000 0.268 243 P C -0.152 177.137 177.300 -0.019 0.000 1.205 243 P CA -0.021 63.061 63.100 -0.030 0.000 0.771 243 P CB 1.403 33.058 31.700 -0.074 0.000 0.858 244 E N 0.455 120.640 120.200 -0.026 0.000 2.528 244 E HA 0.468 4.816 4.350 -0.004 0.000 0.277 244 E C -1.542 175.035 176.600 -0.037 0.000 0.980 244 E CA -0.352 56.034 56.400 -0.023 0.000 0.796 244 E CB 0.778 30.474 29.700 -0.007 0.000 1.427 244 E HN 0.411 nan 8.360 nan 0.000 0.394 245 T N 2.675 117.200 114.554 -0.049 0.000 2.957 245 T HA 0.248 4.596 4.350 -0.004 0.000 0.336 245 T C 0.642 175.303 174.700 -0.065 0.000 1.462 245 T CA -0.369 61.698 62.100 -0.055 0.000 1.073 245 T CB 0.534 69.365 68.868 -0.061 0.000 1.319 245 T HN 0.388 nan 8.240 nan 0.000 0.485 246 I N 2.371 122.898 120.570 -0.072 0.000 2.546 246 I HA 0.423 4.590 4.170 -0.004 0.000 0.255 246 I C 1.486 177.538 176.117 -0.109 0.000 1.163 246 I CA 0.843 62.090 61.300 -0.089 0.000 1.457 246 I CB -0.525 37.416 38.000 -0.100 0.000 1.092 246 I HN 0.601 nan 8.210 nan 0.000 0.434 247 A N 1.358 124.115 122.820 -0.105 0.000 2.785 247 A HA 0.262 4.579 4.320 -0.004 0.000 0.294 247 A C 1.491 179.026 177.584 -0.082 0.000 1.597 247 A CA 0.284 52.261 52.037 -0.101 0.000 1.283 247 A CB -1.090 17.860 19.000 -0.084 0.000 1.088 247 A HN 0.457 nan 8.150 nan 0.000 0.568 248 T N 1.754 116.258 114.554 -0.083 0.000 2.788 248 T HA -0.152 4.196 4.350 -0.004 0.000 0.268 248 T C 2.142 176.800 174.700 -0.070 0.000 1.044 248 T CA 1.810 63.863 62.100 -0.078 0.000 1.139 248 T CB -0.078 68.745 68.868 -0.075 0.000 0.867 248 T HN 0.822 nan 8.240 nan 0.000 0.454 249 A N 1.476 124.265 122.820 -0.053 0.000 2.121 249 A HA 0.139 4.457 4.320 -0.004 0.000 0.218 249 A C 1.970 179.539 177.584 -0.025 0.000 1.154 249 A CA 0.776 52.794 52.037 -0.031 0.000 0.679 249 A CB -0.709 18.288 19.000 -0.005 0.000 0.795 249 A HN 0.758 nan 8.150 nan 0.000 0.458 250 I N -4.703 115.842 120.570 -0.042 0.000 3.856 250 I HA 0.359 4.526 4.170 -0.004 0.000 0.330 250 I C 0.757 176.828 176.117 -0.077 0.000 1.546 250 I CA -0.408 60.860 61.300 -0.052 0.000 1.132 250 I CB 0.180 38.153 38.000 -0.046 0.000 1.157 250 I HN 0.024 nan 8.210 nan 0.000 0.440 251 R N 3.108 123.558 120.500 -0.084 0.000 4.154 251 R HA 0.306 4.644 4.340 -0.004 0.000 0.186 251 R C -0.891 175.341 176.300 -0.114 0.000 1.750 251 R CA -0.041 56.000 56.100 -0.098 0.000 1.431 251 R CB -0.019 30.219 30.300 -0.105 0.000 1.383 251 R HN 0.341 nan 8.270 nan 0.000 0.788 252 I N 1.346 121.850 120.570 -0.112 0.000 2.439 252 I HA 0.212 4.380 4.170 -0.004 0.000 0.285 252 I C 1.102 177.135 176.117 -0.140 0.000 1.021 252 I CA -0.614 60.616 61.300 -0.116 0.000 1.091 252 I CB 1.433 39.367 38.000 -0.110 0.000 1.242 252 I HN 0.393 nan 8.210 nan 0.000 0.439 253 G N 3.221 111.955 108.800 -0.111 0.000 2.880 253 G HA2 0.046 4.003 3.960 -0.004 0.000 0.209 253 G HA3 0.046 4.003 3.960 -0.004 0.000 0.209 253 G C 0.538 175.368 174.900 -0.116 0.000 1.157 253 G CA 0.210 45.248 45.100 -0.103 0.000 0.779 253 G HN 0.491 nan 8.290 nan 0.000 0.539 254 S N 0.727 116.341 115.700 -0.144 0.000 2.397 254 S HA 0.423 4.891 4.470 -0.004 0.000 0.190 254 S C -2.887 171.607 174.600 -0.175 0.000 1.100 254 S CA -0.820 57.319 58.200 -0.101 0.000 1.150 254 S CB 1.496 64.772 63.200 0.126 0.000 1.302 254 S HN -0.046 nan 8.310 nan 0.000 0.417 255 P HA 0.229 nan 4.420 nan 0.000 0.267 255 P C 0.662 177.934 177.300 -0.047 0.000 1.205 255 P CA -0.110 62.793 63.100 -0.328 0.000 0.765 255 P CB 0.756 32.094 31.700 -0.605 0.000 0.828 256 A N 2.812 125.642 122.820 0.016 0.000 1.883 256 A HA -0.136 4.181 4.320 -0.004 0.000 0.217 256 A C 1.502 179.154 177.584 0.114 0.000 1.186 256 A CA 1.619 53.704 52.037 0.080 0.000 0.624 256 A CB -0.854 18.181 19.000 0.058 0.000 0.822 256 A HN 0.493 nan 8.150 nan 0.000 0.444 257 S N -0.741 115.009 115.700 0.082 0.000 2.979 257 S HA 0.135 4.603 4.470 -0.004 0.000 0.210 257 S C 0.487 175.175 174.600 0.147 0.000 1.364 257 S CA -0.742 57.526 58.200 0.112 0.000 1.208 257 S CB -0.321 62.931 63.200 0.087 0.000 1.167 257 S HN 0.572 nan 8.310 nan 0.000 0.519 258 W N 2.365 123.670 121.300 0.008 0.000 2.352 258 W HA -0.151 4.506 4.660 -0.004 0.000 0.322 258 W C 1.867 178.395 176.519 0.015 0.000 1.208 258 W CA 1.382 58.720 57.345 -0.011 0.000 1.286 258 W CB -1.099 28.349 29.460 -0.019 0.000 1.167 258 W HN 0.327 nan 8.180 nan 0.000 0.469 259 T N 0.565 115.319 114.554 0.332 0.000 2.624 259 T HA -0.246 4.101 4.350 -0.004 0.000 0.268 259 T C 2.029 176.843 174.700 0.190 0.000 1.041 259 T CA 2.567 64.786 62.100 0.198 0.000 1.159 259 T CB -0.750 68.194 68.868 0.126 0.000 0.863 259 T HN 0.038 nan 8.240 nan 0.000 0.434 260 S N 0.680 116.488 115.700 0.179 0.000 2.402 260 S HA 0.043 4.510 4.470 -0.004 0.000 0.229 260 S C 2.488 177.202 174.600 0.190 0.000 1.021 260 S CA 0.831 59.135 58.200 0.173 0.000 0.974 260 S CB -0.440 62.851 63.200 0.152 0.000 0.800 260 S HN 0.596 nan 8.310 nan 0.000 0.484 261 A N 1.142 124.081 122.820 0.198 0.000 1.873 261 A HA -0.029 4.289 4.320 -0.004 0.000 0.215 261 A C 2.297 180.089 177.584 0.346 0.000 1.186 261 A CA 1.512 53.702 52.037 0.255 0.000 0.616 261 A CB -0.894 18.208 19.000 0.170 0.000 0.823 261 A HN 0.349 nan 8.150 nan 0.000 0.442 262 V N 0.282 120.390 119.914 0.325 0.000 2.343 262 V HA -0.285 3.832 4.120 -0.004 0.000 0.247 262 V C 2.334 178.527 176.094 0.165 0.000 1.051 262 V CA 2.273 64.762 62.300 0.315 0.000 1.036 262 V CB -1.087 30.899 31.823 0.272 0.000 0.654 262 V HN 0.617 nan 8.190 nan 0.000 0.451 263 E N 0.582 120.870 120.200 0.148 0.000 2.051 263 E HA -0.202 4.146 4.350 -0.004 0.000 0.192 263 E C 2.387 179.008 176.600 0.035 0.000 0.991 263 E CA 1.361 57.831 56.400 0.117 0.000 0.799 263 E CB -0.387 29.410 29.700 0.163 0.000 0.748 263 E HN 0.605 nan 8.360 nan 0.000 0.449 264 A N 1.496 124.307 122.820 -0.014 0.000 1.883 264 A HA -0.273 4.045 4.320 -0.004 0.000 0.217 264 A C 2.206 179.452 177.584 -0.563 0.000 1.186 264 A CA 1.580 53.368 52.037 -0.415 0.000 0.624 264 A CB -0.566 18.314 19.000 -0.200 0.000 0.822 264 A HN 0.176 nan 8.150 nan 0.000 0.444 265 Q N -0.796 118.804 119.800 -0.334 0.000 2.061 265 Q HA -0.231 4.106 4.340 -0.004 0.000 0.204 265 Q C 2.155 177.992 176.000 -0.271 0.000 0.984 265 Q CA 1.976 57.527 55.803 -0.421 0.000 0.846 265 Q CB -0.314 28.119 28.738 -0.508 0.000 0.902 265 Q HN 0.682 nan 8.270 nan 0.000 0.421 266 Q N 0.100 119.820 119.800 -0.134 0.000 2.079 266 Q HA -0.133 4.204 4.340 -0.004 0.000 0.200 266 Q C 2.073 178.031 176.000 -0.070 0.000 0.974 266 Q CA 1.358 57.124 55.803 -0.060 0.000 0.840 266 Q CB -0.096 28.650 28.738 0.013 0.000 0.898 266 Q HN 0.546 nan 8.270 nan 0.000 0.430 267 Q N 0.089 119.834 119.800 -0.092 0.000 2.137 267 Q HA -0.055 4.283 4.340 -0.004 0.000 0.198 267 Q C 1.937 177.877 176.000 -0.100 0.000 0.960 267 Q CA 1.464 57.281 55.803 0.024 0.000 0.847 267 Q CB 0.100 29.020 28.738 0.305 0.000 0.915 267 Q HN 0.342 nan 8.270 nan 0.000 0.448 268 S N 0.110 115.470 115.700 -0.565 0.000 2.603 268 S HA 0.044 4.511 4.470 -0.004 0.000 0.220 268 S C 0.335 174.779 174.600 -0.259 0.000 0.967 268 S CA -0.065 57.746 58.200 -0.648 0.000 0.920 268 S CB 0.117 62.573 63.200 -1.240 0.000 0.773 268 S HN 0.165 nan 8.310 nan 0.000 0.529 269 K N 0.542 120.842 120.400 -0.166 0.000 3.069 269 K HA -0.123 4.194 4.320 -0.004 0.000 0.267 269 K C 0.639 177.252 176.600 0.022 0.000 1.082 269 K CA 0.705 56.958 56.287 -0.057 0.000 0.782 269 K CB -2.580 29.896 32.500 -0.040 0.000 1.230 269 K HN 0.625 nan 8.250 nan 0.000 0.488 270 G N 0.494 109.232 108.800 -0.102 0.000 2.535 270 G HA2 0.453 4.411 3.960 -0.004 0.000 0.282 270 G HA3 0.453 4.411 3.960 -0.004 0.000 0.282 270 G C -0.321 174.471 174.900 -0.180 0.000 1.350 270 G CA -0.411 44.647 45.100 -0.069 0.000 1.039 270 G HN 0.269 nan 8.290 nan 0.000 0.509 271 R N -1.507 118.691 120.500 -0.502 0.000 2.725 271 R HA 0.522 4.859 4.340 -0.004 0.000 0.277 271 R C -1.622 174.253 176.300 -0.709 0.000 0.987 271 R CA -0.727 54.982 56.100 -0.652 0.000 0.901 271 R CB 1.401 31.018 30.300 -1.137 0.000 1.207 271 R HN 0.364 nan 8.270 nan 0.000 0.463 272 F N 3.599 123.398 119.950 -0.252 0.000 2.443 272 F HA 0.558 5.083 4.527 -0.003 0.000 0.335 272 F C -0.384 175.288 175.800 -0.213 0.000 1.104 272 F CA -0.960 56.917 58.000 -0.204 0.000 1.013 272 F CB 1.874 40.794 39.000 -0.133 0.000 1.136 272 F HN 0.256 nan 8.300 nan 0.000 0.470 273 L N 2.745 123.980 121.223 0.021 0.000 2.472 273 L HA 0.823 5.160 4.340 -0.004 0.000 0.260 273 L C -1.328 175.517 176.870 -0.041 0.000 0.963 273 L CA -0.537 54.263 54.840 -0.066 0.000 0.829 273 L CB 1.899 43.862 42.059 -0.160 0.000 1.348 273 L HN 0.627 nan 8.230 nan 0.000 0.408 274 A N 3.408 126.202 122.820 -0.043 0.000 2.305 274 A HA 0.944 5.261 4.320 -0.004 0.000 0.322 274 A C -0.570 176.992 177.584 -0.036 0.000 1.187 274 A CA 0.049 52.063 52.037 -0.040 0.000 0.825 274 A CB 1.014 19.993 19.000 -0.036 0.000 1.164 274 A HN 1.195 nan 8.150 nan 0.000 0.498 275 A N 1.872 124.672 122.820 -0.033 0.000 2.337 275 A HA 0.729 5.046 4.320 -0.004 0.000 0.329 275 A C 0.516 178.086 177.584 -0.022 0.000 1.146 275 A CA -0.003 52.020 52.037 -0.024 0.000 0.800 275 A CB 0.679 19.667 19.000 -0.021 0.000 1.220 275 A HN 1.732 nan 8.150 nan 0.000 0.472 276 S N 1.224 116.915 115.700 -0.014 0.000 2.614 276 S HA 0.210 4.678 4.470 -0.004 0.000 0.265 276 S C 0.236 174.828 174.600 -0.012 0.000 1.303 276 S CA -0.009 58.183 58.200 -0.013 0.000 1.000 276 S CB 0.637 63.833 63.200 -0.007 0.000 0.935 276 S HN 0.589 nan 8.310 nan 0.000 0.551 277 D N 1.043 121.434 120.400 -0.016 0.000 2.123 277 D HA -0.074 4.564 4.640 -0.004 0.000 0.196 277 D C 1.824 178.123 176.300 -0.001 0.000 0.992 277 D CA 1.563 55.552 54.000 -0.020 0.000 0.833 277 D CB -0.405 40.379 40.800 -0.026 0.000 0.954 277 D HN 0.696 nan 8.370 nan 0.000 0.455 278 E N 0.766 120.973 120.200 0.010 0.000 2.070 278 E HA -0.180 4.168 4.350 -0.004 0.000 0.197 278 E C 2.026 178.652 176.600 0.043 0.000 1.004 278 E CA 1.064 57.482 56.400 0.030 0.000 0.805 278 E CB -0.217 29.497 29.700 0.023 0.000 0.744 278 E HN 0.455 nan 8.360 nan 0.000 0.451 279 E N -0.124 120.093 120.200 0.028 0.000 2.106 279 E HA -0.100 4.248 4.350 -0.004 0.000 0.192 279 E C 2.153 178.778 176.600 0.041 0.000 0.984 279 E CA 0.699 57.119 56.400 0.032 0.000 0.806 279 E CB -0.121 29.588 29.700 0.016 0.000 0.750 279 E HN 0.259 nan 8.360 nan 0.000 0.458 280 I N 0.690 121.275 120.570 0.024 0.000 2.163 280 I HA -0.280 3.887 4.170 -0.004 0.000 0.243 280 I C 2.188 178.341 176.117 0.060 0.000 1.085 280 I CA 0.726 62.039 61.300 0.021 0.000 1.347 280 I CB -0.183 37.805 38.000 -0.021 0.000 1.044 280 I HN 0.138 nan 8.210 nan 0.000 0.408 281 L N 0.838 122.097 121.223 0.060 0.000 2.083 281 L HA -0.169 4.169 4.340 -0.004 0.000 0.209 281 L C 2.672 179.717 176.870 0.291 0.000 1.083 281 L CA 2.058 56.984 54.840 0.144 0.000 0.752 281 L CB -1.284 40.855 42.059 0.134 0.000 0.899 281 L HN 0.215 nan 8.230 nan 0.000 0.433 282 A N -0.911 122.031 122.820 0.203 0.000 1.902 282 A HA -0.141 4.177 4.320 -0.004 0.000 0.217 282 A C 2.493 180.185 177.584 0.180 0.000 1.181 282 A CA 1.788 53.943 52.037 0.197 0.000 0.623 282 A CB -0.877 18.188 19.000 0.108 0.000 0.818 282 A HN 0.403 nan 8.150 nan 0.000 0.443 283 A N -1.337 121.564 122.820 0.135 0.000 1.877 283 A HA -0.133 4.185 4.320 -0.004 0.000 0.216 283 A C 2.098 179.761 177.584 0.132 0.000 1.186 283 A CA 1.758 53.860 52.037 0.108 0.000 0.620 283 A CB -0.989 18.057 19.000 0.077 0.000 0.822 283 A HN 0.736 nan 8.150 nan 0.000 0.443 284 Y N 0.739 121.034 120.300 -0.008 0.000 2.062 284 Y HA -0.381 4.167 4.550 -0.004 0.000 0.276 284 Y C 2.329 178.174 175.900 -0.093 0.000 1.189 284 Y CA 2.571 60.623 58.100 -0.079 0.000 1.130 284 Y CB -0.855 37.501 38.460 -0.174 0.000 0.959 284 Y HN 0.595 nan 8.280 nan 0.000 0.499 285 H N -1.082 118.018 119.070 0.049 0.000 2.395 285 H HA -0.066 4.488 4.556 -0.004 0.000 0.299 285 H C 2.435 177.743 175.328 -0.033 0.000 1.070 285 H CA 1.241 57.258 56.048 -0.051 0.000 1.356 285 H CB -0.273 29.502 29.762 0.021 0.000 1.401 285 H HN 0.333 nan 8.280 nan 0.000 0.524 286 L N 0.654 121.946 121.223 0.116 0.000 1.970 286 L HA -0.215 4.122 4.340 -0.004 0.000 0.212 286 L C 2.448 179.337 176.870 0.033 0.000 1.071 286 L CA 1.684 56.564 54.840 0.067 0.000 0.751 286 L CB -0.374 41.721 42.059 0.061 0.000 0.889 286 L HN 0.325 nan 8.230 nan 0.000 0.432 287 V N -2.268 117.661 119.914 0.025 0.000 2.282 287 V HA -0.303 3.815 4.120 -0.004 0.000 0.249 287 V C 2.549 178.650 176.094 0.012 0.000 1.057 287 V CA 1.811 64.122 62.300 0.018 0.000 1.032 287 V CB -1.745 30.093 31.823 0.025 0.000 0.645 287 V HN 0.437 nan 8.190 nan 0.000 0.447 288 A N 0.409 123.225 122.820 -0.007 0.000 1.902 288 A HA -0.166 4.151 4.320 -0.004 0.000 0.217 288 A C 2.437 180.006 177.584 -0.025 0.000 1.181 288 A CA 2.062 54.087 52.037 -0.019 0.000 0.623 288 A CB -0.611 18.339 19.000 -0.083 0.000 0.818 288 A HN 0.568 nan 8.150 nan 0.000 0.443 289 R N -1.741 118.752 120.500 -0.011 0.000 2.193 289 R HA 0.101 4.439 4.340 -0.004 0.000 0.213 289 R C 1.295 177.592 176.300 -0.004 0.000 1.055 289 R CA 1.102 57.198 56.100 -0.007 0.000 0.995 289 R CB 0.050 30.356 30.300 0.011 0.000 0.893 289 R HN 0.376 nan 8.270 nan 0.000 0.459 290 V N -0.802 119.113 119.914 0.001 0.000 3.480 290 V HA 0.053 4.171 4.120 -0.004 0.000 0.263 290 V C 0.829 176.924 176.094 0.001 0.000 1.442 290 V CA 0.573 62.874 62.300 0.001 0.000 1.053 290 V CB 0.991 32.817 31.823 0.005 0.000 0.846 290 V HN 0.055 nan 8.190 nan 0.000 0.440 291 E N 0.036 120.239 120.200 0.005 0.000 2.490 291 E HA 0.269 4.617 4.350 -0.004 0.000 0.209 291 E C 1.686 178.293 176.600 0.012 0.000 0.971 291 E CA 0.769 57.174 56.400 0.008 0.000 0.988 291 E CB 0.884 30.591 29.700 0.012 0.000 1.029 291 E HN 0.507 nan 8.360 nan 0.000 0.496 292 G N 1.603 110.408 108.800 0.009 0.000 2.148 292 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.254 292 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.254 292 G C 0.336 175.256 174.900 0.033 0.000 0.981 292 G CA 0.655 45.762 45.100 0.010 0.000 0.670 292 G HN 0.302 nan 8.290 nan 0.000 0.528 293 V N -0.139 119.802 119.914 0.046 0.000 2.384 293 V HA 0.799 4.917 4.120 -0.004 0.000 0.287 293 V C -0.259 175.918 176.094 0.139 0.000 1.020 293 V CA -1.561 60.786 62.300 0.079 0.000 0.850 293 V CB 1.264 33.122 31.823 0.059 0.000 0.987 293 V HN 0.648 nan 8.190 nan 0.000 0.436 294 F N 6.963 126.891 119.950 -0.038 0.000 2.390 294 F HA 0.713 5.237 4.527 -0.005 0.000 0.361 294 F C -0.278 175.510 175.800 -0.019 0.000 1.124 294 F CA -0.664 57.299 58.000 -0.062 0.000 1.149 294 F CB 1.207 40.177 39.000 -0.050 0.000 1.160 294 F HN 0.437 nan 8.300 nan 0.000 0.501 295 V N 6.139 125.964 119.914 -0.148 0.000 2.680 295 V HA 0.259 4.376 4.120 -0.004 0.000 0.309 295 V C 0.019 176.026 176.094 -0.144 0.000 1.052 295 V CA -0.985 61.232 62.300 -0.139 0.000 0.908 295 V CB 1.957 33.782 31.823 0.004 0.000 1.001 295 V HN 0.648 nan 8.190 nan 0.000 0.431 296 E N 4.807 124.936 120.200 -0.119 0.000 2.404 296 E HA 0.102 4.450 4.350 -0.004 0.000 0.261 296 E C -1.686 174.933 176.600 0.032 0.000 1.074 296 E CA -1.352 55.015 56.400 -0.055 0.000 0.917 296 E CB 1.468 31.127 29.700 -0.068 0.000 0.965 296 E HN 0.384 nan 8.360 nan 0.000 0.433 297 P HA -0.198 nan 4.420 nan 0.000 0.216 297 P C 0.807 178.066 177.300 -0.069 0.000 1.153 297 P CA 1.982 64.972 63.100 -0.183 0.000 0.858 297 P CB 0.081 31.581 31.700 -0.332 0.000 0.789 298 A N -0.623 122.165 122.820 -0.053 0.000 1.940 298 A HA -0.206 4.112 4.320 -0.004 0.000 0.219 298 A C 2.307 179.895 177.584 0.006 0.000 1.176 298 A CA 2.321 54.346 52.037 -0.020 0.000 0.631 298 A CB -1.565 17.433 19.000 -0.003 0.000 0.814 298 A HN 0.169 nan 8.150 nan 0.000 0.446 299 S N -0.074 115.639 115.700 0.021 0.000 2.383 299 S HA 0.034 4.502 4.470 -0.004 0.000 0.227 299 S C 2.276 176.895 174.600 0.033 0.000 1.026 299 S CA 0.992 59.211 58.200 0.032 0.000 0.981 299 S CB -0.443 62.778 63.200 0.036 0.000 0.818 299 S HN 0.808 nan 8.310 nan 0.000 0.472 300 A N 1.950 124.803 122.820 0.056 0.000 1.902 300 A HA 0.073 4.390 4.320 -0.004 0.000 0.217 300 A C 2.398 180.003 177.584 0.035 0.000 1.181 300 A CA 1.692 53.773 52.037 0.074 0.000 0.623 300 A CB -1.200 17.889 19.000 0.150 0.000 0.818 300 A HN 0.517 nan 8.150 nan 0.000 0.443 301 A N -0.176 122.650 122.820 0.011 0.000 1.917 301 A HA -0.207 4.110 4.320 -0.004 0.000 0.219 301 A C 2.521 180.099 177.584 -0.011 0.000 1.182 301 A CA 2.575 54.608 52.037 -0.006 0.000 0.633 301 A CB -1.060 17.927 19.000 -0.022 0.000 0.819 301 A HN 0.854 nan 8.150 nan 0.000 0.448 302 S N -0.357 115.336 115.700 -0.011 0.000 2.356 302 S HA -0.150 4.318 4.470 -0.004 0.000 0.223 302 S C 1.915 176.502 174.600 -0.021 0.000 1.032 302 S CA 1.516 59.702 58.200 -0.024 0.000 1.005 302 S CB -0.563 62.618 63.200 -0.031 0.000 0.867 302 S HN 0.465 nan 8.310 nan 0.000 0.449 303 I N 2.006 122.573 120.570 -0.006 0.000 2.226 303 I HA -0.128 4.039 4.170 -0.004 0.000 0.245 303 I C 2.938 179.057 176.117 0.003 0.000 1.100 303 I CA 1.150 62.450 61.300 -0.000 0.000 1.374 303 I CB -0.555 37.454 38.000 0.014 0.000 1.057 303 I HN 0.446 nan 8.210 nan 0.000 0.413 304 A N 0.613 123.438 122.820 0.009 0.000 1.940 304 A HA -0.161 4.157 4.320 -0.004 0.000 0.219 304 A C 2.412 179.992 177.584 -0.006 0.000 1.176 304 A CA 2.048 54.091 52.037 0.009 0.000 0.631 304 A CB -1.400 17.607 19.000 0.012 0.000 0.814 304 A HN 0.481 nan 8.150 nan 0.000 0.446 305 G N -0.773 108.014 108.800 -0.021 0.000 2.396 305 G HA2 -0.067 3.890 3.960 -0.004 0.000 0.214 305 G HA3 -0.067 3.890 3.960 -0.004 0.000 0.214 305 G C 1.543 176.419 174.900 -0.040 0.000 1.166 305 G CA 0.698 45.773 45.100 -0.042 0.000 0.793 305 G HN 0.393 nan 8.290 nan 0.000 0.533 306 L N 0.299 121.507 121.223 -0.026 0.000 1.989 306 L HA -0.039 4.298 4.340 -0.004 0.000 0.211 306 L C 2.908 179.786 176.870 0.013 0.000 1.071 306 L CA 1.334 56.172 54.840 -0.004 0.000 0.749 306 L CB -0.333 41.722 42.059 -0.007 0.000 0.890 306 L HN 0.207 nan 8.230 nan 0.000 0.431 307 L N -0.258 120.970 121.223 0.008 0.000 2.043 307 L HA -0.313 4.025 4.340 -0.004 0.000 0.212 307 L C 2.669 179.549 176.870 0.017 0.000 1.075 307 L CA 1.575 56.423 54.840 0.014 0.000 0.752 307 L CB -0.612 41.455 42.059 0.013 0.000 0.891 307 L HN 0.326 nan 8.230 nan 0.000 0.432 308 K N -0.071 120.332 120.400 0.006 0.000 2.097 308 K HA -0.160 4.157 4.320 -0.004 0.000 0.206 308 K C 2.137 178.745 176.600 0.014 0.000 1.049 308 K CA 1.319 57.607 56.287 0.002 0.000 0.933 308 K CB -0.066 32.424 32.500 -0.017 0.000 0.717 308 K HN 0.298 nan 8.250 nan 0.000 0.442 309 A N 1.189 124.020 122.820 0.018 0.000 1.968 309 A HA -0.113 4.205 4.320 -0.004 0.000 0.217 309 A C 2.001 179.668 177.584 0.138 0.000 1.169 309 A CA 1.350 53.434 52.037 0.079 0.000 0.638 309 A CB -0.555 18.497 19.000 0.086 0.000 0.812 309 A HN 0.451 nan 8.150 nan 0.000 0.446 310 I N -1.536 119.088 120.570 0.090 0.000 2.315 310 I HA -0.150 4.017 4.170 -0.004 0.000 0.248 310 I C 1.427 177.576 176.117 0.054 0.000 1.117 310 I CA 1.959 63.301 61.300 0.071 0.000 1.404 310 I CB -0.653 37.373 38.000 0.043 0.000 1.071 310 I HN 0.054 nan 8.210 nan 0.000 0.419 311 D N 1.902 122.328 120.400 0.044 0.000 2.087 311 D HA -0.219 4.418 4.640 -0.004 0.000 0.192 311 D C 1.806 178.133 176.300 0.044 0.000 0.993 311 D CA 2.110 56.131 54.000 0.035 0.000 0.828 311 D CB -0.729 40.087 40.800 0.026 0.000 0.968 311 D HN 0.457 nan 8.370 nan 0.000 0.448 312 D N -0.328 120.108 120.400 0.060 0.000 2.158 312 D HA -0.030 4.608 4.640 -0.004 0.000 0.197 312 D C 1.613 177.966 176.300 0.088 0.000 0.995 312 D CA 2.040 56.086 54.000 0.076 0.000 0.846 312 D CB -0.335 40.526 40.800 0.102 0.000 0.941 312 D HN 0.416 nan 8.370 nan 0.000 0.456 313 G N -1.145 107.714 108.800 0.098 0.000 2.141 313 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.231 313 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.231 313 G C 0.684 175.635 174.900 0.086 0.000 0.984 313 G CA 0.274 45.415 45.100 0.068 0.000 0.660 313 G HN 0.353 nan 8.290 nan 0.000 0.525 314 W N 0.076 121.361 121.300 -0.025 0.000 2.363 314 W HA 0.333 4.992 4.660 -0.002 0.000 0.296 314 W C 1.407 177.904 176.519 -0.038 0.000 1.212 314 W CA 1.732 59.057 57.345 -0.033 0.000 1.260 314 W CB 0.204 29.641 29.460 -0.037 0.000 1.131 314 W HN 0.629 nan 8.180 nan 0.000 0.530 315 V N 1.772 121.785 119.914 0.164 0.000 2.394 315 V HA 0.712 4.829 4.120 -0.004 0.000 0.282 315 V C 0.035 176.104 176.094 -0.042 0.000 1.031 315 V CA -0.822 61.473 62.300 -0.007 0.000 0.881 315 V CB 0.483 32.397 31.823 0.151 0.000 0.982 315 V HN 0.144 nan 8.190 nan 0.000 0.451 316 A N 7.594 130.351 122.820 -0.105 0.000 2.340 316 A HA 0.647 4.964 4.320 -0.004 0.000 0.268 316 A C 0.405 177.962 177.584 -0.045 0.000 1.100 316 A CA -0.693 51.298 52.037 -0.076 0.000 0.803 316 A CB 0.293 19.232 19.000 -0.101 0.000 1.043 316 A HN 0.887 nan 8.150 nan 0.000 0.488 317 R N 0.741 121.222 120.500 -0.031 0.000 2.537 317 R HA 0.219 4.556 4.340 -0.004 0.000 0.281 317 R C 1.275 177.560 176.300 -0.026 0.000 0.988 317 R CA 1.182 57.269 56.100 -0.022 0.000 1.077 317 R CB -0.608 29.681 30.300 -0.017 0.000 0.932 317 R HN 1.791 nan 8.270 nan 0.000 0.409 318 G N 1.172 109.959 108.800 -0.021 0.000 2.176 318 G HA2 -0.329 3.629 3.960 -0.004 0.000 0.253 318 G HA3 -0.329 3.629 3.960 -0.004 0.000 0.253 318 G C 0.196 175.084 174.900 -0.020 0.000 0.979 318 G CA 0.456 45.544 45.100 -0.020 0.000 0.641 318 G HN 0.789 nan 8.290 nan 0.000 0.530 319 S N -0.121 115.563 115.700 -0.027 0.000 2.617 319 S HA 0.672 5.140 4.470 -0.004 0.000 0.269 319 S C 0.176 174.769 174.600 -0.012 0.000 1.292 319 S CA 0.458 58.641 58.200 -0.028 0.000 1.010 319 S CB 1.799 64.968 63.200 -0.052 0.000 0.944 319 S HN 0.559 nan 8.310 nan 0.000 0.536 320 T N 1.982 116.536 114.554 0.001 0.000 2.806 320 T HA 0.558 4.906 4.350 -0.004 0.000 0.290 320 T C -0.623 174.094 174.700 0.029 0.000 0.966 320 T CA -0.517 61.602 62.100 0.031 0.000 1.060 320 T CB 0.815 69.721 68.868 0.063 0.000 0.927 320 T HN 0.576 nan 8.240 nan 0.000 0.485 321 V N 3.867 123.803 119.914 0.036 0.000 2.623 321 V HA 0.411 4.529 4.120 -0.004 0.000 0.304 321 V C -0.408 175.687 176.094 0.001 0.000 1.054 321 V CA -0.840 61.463 62.300 0.004 0.000 0.882 321 V CB 2.144 33.961 31.823 -0.010 0.000 1.002 321 V HN 0.693 nan 8.190 nan 0.000 0.424 322 V N 3.642 123.504 119.914 -0.087 0.000 2.435 322 V HA 0.405 4.522 4.120 -0.004 0.000 0.290 322 V C -0.098 175.735 176.094 -0.436 0.000 1.030 322 V CA -0.456 61.744 62.300 -0.167 0.000 0.881 322 V CB 1.655 33.407 31.823 -0.118 0.000 0.983 322 V HN 1.018 nan 8.190 nan 0.000 0.445 323 C N 4.933 124.088 119.300 -0.242 0.000 2.271 323 C HA 0.555 5.013 4.460 -0.004 0.000 0.323 323 C C 0.742 175.654 174.990 -0.130 0.000 1.245 323 C CA -0.313 58.577 59.018 -0.213 0.000 1.548 323 C CB -0.097 27.585 27.740 -0.096 0.000 2.214 323 C HN 0.949 nan 8.230 nan 0.000 0.477 324 T N 5.057 119.543 114.554 -0.112 0.000 2.799 324 T HA 0.235 4.583 4.350 -0.004 0.000 0.296 324 T C -0.074 174.628 174.700 0.004 0.000 0.947 324 T CA 0.276 62.386 62.100 0.017 0.000 1.141 324 T CB 0.749 69.641 68.868 0.039 0.000 0.891 324 T HN 0.624 nan 8.240 nan 0.000 0.533 325 V N 5.461 125.398 119.914 0.039 0.000 2.313 325 V HA 0.221 4.339 4.120 -0.004 0.000 0.278 325 V C 1.390 177.532 176.094 0.081 0.000 1.017 325 V CA -0.350 61.976 62.300 0.043 0.000 0.823 325 V CB 1.184 33.028 31.823 0.034 0.000 1.010 325 V HN 1.157 nan 8.190 nan 0.000 0.443 326 T N 1.976 116.594 114.554 0.107 0.000 3.067 326 T HA 0.305 4.652 4.350 -0.004 0.000 0.261 326 T C 0.736 175.576 174.700 0.233 0.000 1.110 326 T CA 0.537 62.779 62.100 0.235 0.000 1.113 326 T CB 0.286 69.344 68.868 0.317 0.000 0.917 326 T HN 0.877 nan 8.240 nan 0.000 0.499 327 G N 0.472 109.336 108.800 0.107 0.000 2.720 327 G HA2 0.445 4.403 3.960 -0.004 0.000 0.295 327 G HA3 0.445 4.403 3.960 -0.004 0.000 0.295 327 G C -1.605 173.279 174.900 -0.027 0.000 1.437 327 G CA -0.906 44.222 45.100 0.046 0.000 0.886 327 G HN 0.096 nan 8.290 nan 0.000 0.509 328 N N 0.232 118.903 118.700 -0.049 0.000 2.483 328 N HA 0.087 4.824 4.740 -0.004 0.000 0.264 328 N C 1.755 177.089 175.510 -0.292 0.000 1.197 328 N CA 0.782 53.759 53.050 -0.121 0.000 0.927 328 N CB 1.520 39.974 38.487 -0.056 0.000 1.065 328 N HN 0.629 nan 8.380 nan 0.000 0.461 329 G N 3.726 112.135 108.800 -0.652 0.000 2.485 329 G HA2 -0.209 3.748 3.960 -0.004 0.000 0.221 329 G HA3 -0.209 3.748 3.960 -0.004 0.000 0.221 329 G C 1.530 175.897 174.900 -0.888 0.000 1.115 329 G CA 0.483 44.729 45.100 -1.424 0.000 0.751 329 G HN 0.664 nan 8.290 nan 0.000 0.567 330 L N -0.172 120.832 121.223 -0.365 0.000 2.456 330 L HA 0.023 4.361 4.340 -0.004 0.000 0.224 330 L C 2.589 179.452 176.870 -0.011 0.000 1.148 330 L CA 0.413 55.259 54.840 0.011 0.000 0.825 330 L CB -0.105 42.009 42.059 0.093 0.000 0.937 330 L HN 0.061 nan 8.230 nan 0.000 0.450 331 K N -0.310 120.046 120.400 -0.074 0.000 2.283 331 K HA -0.087 4.230 4.320 -0.004 0.000 0.202 331 K C 0.271 176.856 176.600 -0.024 0.000 1.048 331 K CA 0.806 57.069 56.287 -0.040 0.000 0.948 331 K CB -0.096 32.373 32.500 -0.053 0.000 0.742 331 K HN 0.135 nan 8.250 nan 0.000 0.458 332 D N -0.290 120.097 120.400 -0.021 0.000 2.468 332 D HA 0.170 4.808 4.640 -0.004 0.000 0.272 332 D C -2.184 174.166 176.300 0.084 0.000 1.221 332 D CA -2.020 51.984 54.000 0.007 0.000 0.860 332 D CB 1.265 42.043 40.800 -0.037 0.000 1.190 332 D HN -0.175 nan 8.370 nan 0.000 0.509 333 P HA -0.007 nan 4.420 nan 0.000 0.219 333 P C 0.923 178.289 177.300 0.110 0.000 1.150 333 P CA 0.482 63.661 63.100 0.131 0.000 0.814 333 P CB 0.599 32.353 31.700 0.090 0.000 0.787 334 D N -0.597 119.842 120.400 0.064 0.000 2.106 334 D HA -0.137 4.501 4.640 -0.004 0.000 0.191 334 D C 1.793 178.127 176.300 0.057 0.000 0.997 334 D CA 1.691 55.718 54.000 0.045 0.000 0.834 334 D CB -1.076 39.732 40.800 0.013 0.000 0.956 334 D HN 0.146 nan 8.370 nan 0.000 0.448 335 T N 0.467 115.047 114.554 0.043 0.000 2.867 335 T HA -0.034 4.314 4.350 -0.004 0.000 0.268 335 T C 1.974 176.786 174.700 0.186 0.000 1.057 335 T CA 1.211 63.322 62.100 0.019 0.000 1.136 335 T CB -0.218 68.539 68.868 -0.186 0.000 0.874 335 T HN 0.202 nan 8.240 nan 0.000 0.466 336 A N 1.356 124.351 122.820 0.292 0.000 1.902 336 A HA 0.050 4.368 4.320 -0.004 0.000 0.217 336 A C 2.286 179.990 177.584 0.200 0.000 1.181 336 A CA 1.046 53.288 52.037 0.342 0.000 0.623 336 A CB -0.896 18.321 19.000 0.361 0.000 0.818 336 A HN 0.454 nan 8.150 nan 0.000 0.443 337 L N -0.899 120.410 121.223 0.142 0.000 2.079 337 L HA -0.136 4.201 4.340 -0.004 0.000 0.210 337 L C 0.747 177.672 176.870 0.093 0.000 1.081 337 L CA 1.089 55.985 54.840 0.094 0.000 0.752 337 L CB -0.218 41.882 42.059 0.069 0.000 0.896 337 L HN 0.286 nan 8.230 nan 0.000 0.433 338 K N -0.036 120.429 120.400 0.108 0.000 2.118 338 K HA 0.101 4.418 4.320 -0.004 0.000 0.264 338 K C -0.359 176.320 176.600 0.133 0.000 1.000 338 K CA -0.591 55.752 56.287 0.094 0.000 0.929 338 K CB 0.635 33.175 32.500 0.067 0.000 1.021 338 K HN -0.015 nan 8.250 nan 0.000 0.463 339 D N 1.551 122.008 120.400 0.094 0.000 2.812 339 D HA -0.207 4.431 4.640 -0.004 0.000 0.237 339 D C -0.825 175.519 176.300 0.073 0.000 1.162 339 D CA 1.099 55.147 54.000 0.081 0.000 0.740 339 D CB -0.560 40.305 40.800 0.109 0.000 1.000 339 D HN 0.436 nan 8.370 nan 0.000 0.416 340 M N 0.566 120.195 119.600 0.050 0.000 2.436 340 M HA 0.353 4.831 4.480 -0.004 0.000 0.331 340 M C -2.008 174.296 176.300 0.007 0.000 1.135 340 M CA -1.639 53.681 55.300 0.033 0.000 0.987 340 M CB 1.537 34.159 32.600 0.037 0.000 1.687 340 M HN -0.213 nan 8.290 nan 0.000 0.445 341 P HA 0.160 nan 4.420 nan 0.000 0.271 341 P C -0.906 176.390 177.300 -0.007 0.000 1.226 341 P CA -0.159 62.934 63.100 -0.012 0.000 0.765 341 P CB 0.529 32.217 31.700 -0.020 0.000 0.835 342 S N 1.950 117.646 115.700 -0.006 0.000 2.466 342 S HA 0.146 4.614 4.470 -0.004 0.000 0.286 342 S C 0.226 174.823 174.600 -0.005 0.000 1.221 342 S CA -0.428 57.770 58.200 -0.004 0.000 1.091 342 S CB -0.241 62.957 63.200 -0.003 0.000 0.956 342 S HN 0.180 nan 8.310 nan 0.000 0.501 343 V N 5.263 125.174 119.914 -0.005 0.000 2.465 343 V HA 0.496 4.614 4.120 -0.004 0.000 0.279 343 V C 0.338 176.429 176.094 -0.004 0.000 1.045 343 V CA -0.602 61.694 62.300 -0.006 0.000 0.938 343 V CB 1.324 33.144 31.823 -0.006 0.000 0.986 343 V HN 0.893 nan 8.190 nan 0.000 0.467 344 S N 4.540 120.237 115.700 -0.005 0.000 2.536 344 S HA 0.765 5.233 4.470 -0.004 0.000 0.298 344 S C -2.869 171.729 174.600 -0.004 0.000 1.083 344 S CA -1.654 56.544 58.200 -0.004 0.000 0.995 344 S CB 1.448 64.646 63.200 -0.004 0.000 1.058 344 S HN 0.546 nan 8.310 nan 0.000 0.488 345 P HA 0.266 nan 4.420 nan 0.000 0.262 345 P C -1.232 176.065 177.300 -0.004 0.000 1.182 345 P CA -0.239 62.859 63.100 -0.003 0.000 0.761 345 P CB 0.301 32.000 31.700 -0.003 0.000 0.795 346 V N 5.837 125.749 119.914 -0.004 0.000 2.448 346 V HA 0.305 4.422 4.120 -0.004 0.000 0.295 346 V C -1.833 174.258 176.094 -0.004 0.000 1.025 346 V CA -1.680 60.617 62.300 -0.004 0.000 0.859 346 V CB 1.095 32.915 31.823 -0.005 0.000 0.988 346 V HN 0.569 nan 8.190 nan 0.000 0.431 347 P HA -0.048 nan 4.420 nan 0.000 0.267 347 P C 0.788 178.086 177.300 -0.003 0.000 1.175 347 P CA 0.074 63.172 63.100 -0.003 0.000 0.763 347 P CB 0.365 32.063 31.700 -0.003 0.000 0.795 348 V N -1.708 118.204 119.914 -0.003 0.000 3.510 348 V HA -0.015 4.103 4.120 -0.004 0.000 0.270 348 V C 0.644 176.736 176.094 -0.003 0.000 1.201 348 V CA 0.372 62.670 62.300 -0.003 0.000 1.166 348 V CB -1.423 30.399 31.823 -0.003 0.000 0.825 348 V HN 0.596 nan 8.190 nan 0.000 0.484 349 D N 1.198 121.596 120.400 -0.003 0.000 2.302 349 D HA 0.173 4.811 4.640 -0.004 0.000 0.248 349 D C -1.340 174.958 176.300 -0.003 0.000 1.094 349 D CA -2.194 51.804 54.000 -0.003 0.000 0.897 349 D CB 1.436 42.234 40.800 -0.003 0.000 1.200 349 D HN 0.147 nan 8.370 nan 0.000 0.429 350 P HA -0.149 nan 4.420 nan 0.000 0.218 350 P C 1.558 178.856 177.300 -0.003 0.000 1.149 350 P CA 0.948 64.046 63.100 -0.003 0.000 0.817 350 P CB 0.016 31.714 31.700 -0.003 0.000 0.785 351 V N -1.536 118.376 119.914 -0.003 0.000 2.453 351 V HA -0.058 4.060 4.120 -0.004 0.000 0.247 351 V C 2.622 178.714 176.094 -0.004 0.000 1.048 351 V CA 1.574 63.872 62.300 -0.003 0.000 1.049 351 V CB -2.114 29.708 31.823 -0.003 0.000 0.672 351 V HN 0.037 nan 8.190 nan 0.000 0.457 352 A N 0.569 123.387 122.820 -0.004 0.000 1.873 352 A HA -0.086 4.232 4.320 -0.004 0.000 0.215 352 A C 2.479 180.060 177.584 -0.005 0.000 1.186 352 A CA 1.956 53.990 52.037 -0.004 0.000 0.616 352 A CB -0.854 18.144 19.000 -0.004 0.000 0.823 352 A HN 0.602 nan 8.150 nan 0.000 0.442 353 V N -0.615 119.296 119.914 -0.005 0.000 2.407 353 V HA -0.139 3.979 4.120 -0.004 0.000 0.248 353 V C 2.225 178.316 176.094 -0.006 0.000 1.055 353 V CA 2.387 64.684 62.300 -0.006 0.000 1.049 353 V CB -0.175 31.644 31.823 -0.005 0.000 0.662 353 V HN 0.298 nan 8.190 nan 0.000 0.455 354 V N -0.088 119.823 119.914 -0.005 0.000 2.970 354 V HA -0.121 3.996 4.120 -0.004 0.000 0.260 354 V C 2.389 178.480 176.094 -0.005 0.000 1.100 354 V CA 2.337 64.633 62.300 -0.005 0.000 1.122 354 V CB -0.296 31.525 31.823 -0.005 0.000 0.721 354 V HN 0.717 nan 8.190 nan 0.000 0.483 355 E N -0.825 119.372 120.200 -0.005 0.000 2.340 355 E HA -0.029 4.319 4.350 -0.004 0.000 0.194 355 E C 1.606 178.202 176.600 -0.006 0.000 0.996 355 E CA -0.037 56.359 56.400 -0.005 0.000 0.869 355 E CB 0.159 29.856 29.700 -0.005 0.000 0.835 355 E HN 0.395 nan 8.360 nan 0.000 0.493 356 K N 0.629 121.025 120.400 -0.007 0.000 2.643 356 K HA -0.050 4.268 4.320 -0.004 0.000 0.193 356 K C 1.171 177.765 176.600 -0.009 0.000 1.027 356 K CA 0.483 56.765 56.287 -0.008 0.000 1.033 356 K CB 0.208 32.704 32.500 -0.008 0.000 0.827 356 K HN 0.203 nan 8.250 nan 0.000 0.500 357 L N -3.175 118.043 121.223 -0.008 0.000 3.099 357 L HA 0.294 4.631 4.340 -0.004 0.000 0.165 357 L C 1.011 177.876 176.870 -0.008 0.000 1.151 357 L CA -0.181 54.654 54.840 -0.009 0.000 0.878 357 L CB 0.204 42.258 42.059 -0.009 0.000 1.615 357 L HN -0.018 nan 8.230 nan 0.000 0.545 358 G N 0.000 108.796 108.800 -0.007 0.000 5.446 358 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 358 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 358 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 358 G HN 0.000 nan 8.290 nan 0.000 0.925