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 2ps4_1_A DATA FIRST_RESID 1 DATA SEQUENCE MENFPTEYFL NTTVRLLEYI RYRDSNYTRE ERIENLHYAY NKAAHHFAQP DATA SEQUENCE RQQQLLKVDP KRLQASLQTI VGMVVYSWAK VSKECMADLS IHYTYTLVLD DATA SEQUENCE DSKDDPYPTM VNYFDDLQAG REQAHPWWAL VNEHFPNVLR HFGPFCSLNL DATA SEQUENCE IRSTLDFFEG CWIEQYNFGG FPGSHDYPQF LRRMNGLGHC VGASLWPKEQ DATA SEQUENCE FNERSLFLEI TSAIAQMENW MVWVDDLMSF YKEFDDERDQ ISLVKNYVVS DATA SEQUENCE DEISLHEALE KLTQDTLHSS KQMVAVFSDK DPQVMDTIEC FMHGYVTWHL DATA SEQUENCE CDRRYRLSEI YEKVKEEKTE DAQKFCKFYE QAANVGAVSP SEWAYPPVAQ DATA SEQUENCE LANV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.489 176.300 0.315 0.000 1.140 1 M CA 0.000 55.435 55.300 0.225 0.000 0.988 1 M CB 0.000 32.780 32.600 0.300 0.000 1.302 2 E N 1.780 122.104 120.200 0.208 0.000 2.448 2 E HA -0.007 4.343 4.350 0.001 0.000 0.203 2 E C -0.567 176.247 176.600 0.356 0.000 1.046 2 E CA 1.455 57.983 56.400 0.215 0.000 0.871 2 E CB 0.204 29.976 29.700 0.119 0.000 0.790 2 E HN 0.713 nan 8.360 nan 0.000 0.545 3 N N 0.383 119.293 118.700 0.350 0.000 2.321 3 N HA 0.114 4.854 4.740 0.001 0.000 0.299 3 N C -1.133 174.460 175.510 0.138 0.000 1.048 3 N CA -0.682 52.528 53.050 0.267 0.000 0.836 3 N CB 0.735 39.313 38.487 0.152 0.000 1.269 3 N HN 0.009 nan 8.380 nan 0.000 0.486 4 F N 4.336 124.114 119.950 -0.286 0.000 2.541 4 F HA 0.165 4.692 4.527 0.001 0.000 0.378 4 F C -1.390 174.289 175.800 -0.201 0.000 1.068 4 F CA -1.712 55.892 58.000 -0.659 0.000 1.199 4 F CB 0.516 39.175 39.000 -0.568 0.000 1.091 4 F HN 0.328 nan 8.300 nan 0.000 0.555 5 P HA -0.005 nan 4.420 nan 0.000 0.244 5 P C 0.603 177.668 177.300 -0.392 0.000 1.723 5 P CA 0.236 63.157 63.100 -0.298 0.000 1.110 5 P CB -0.105 31.579 31.700 -0.027 0.000 1.972 6 T N 1.161 115.591 114.554 -0.206 0.000 2.607 6 T HA -0.207 4.143 4.350 0.001 0.000 0.267 6 T C 1.572 176.289 174.700 0.028 0.000 1.049 6 T CA 1.615 63.706 62.100 -0.016 0.000 1.162 6 T CB -0.300 68.611 68.868 0.071 0.000 0.863 6 T HN 0.421 nan 8.240 nan 0.000 0.424 7 E N 0.080 120.300 120.200 0.034 0.000 2.049 7 E HA -0.205 4.145 4.350 0.001 0.000 0.198 7 E C 1.952 178.617 176.600 0.107 0.000 1.007 7 E CA 1.543 57.975 56.400 0.052 0.000 0.809 7 E CB -0.405 29.320 29.700 0.042 0.000 0.749 7 E HN 0.647 nan 8.360 nan 0.000 0.450 8 Y N 0.068 120.343 120.300 -0.042 0.000 2.128 8 Y HA -0.326 4.224 4.550 0.001 0.000 0.284 8 Y C 2.285 178.145 175.900 -0.067 0.000 1.154 8 Y CA 0.986 59.058 58.100 -0.047 0.000 1.149 8 Y CB -0.111 38.331 38.460 -0.030 0.000 0.976 8 Y HN 0.050 nan 8.280 nan 0.000 0.505 9 F N 0.745 120.553 119.950 -0.236 0.000 2.102 9 F HA -0.263 4.265 4.527 0.001 0.000 0.298 9 F C 1.961 177.655 175.800 -0.175 0.000 1.105 9 F CA 1.626 59.442 58.000 -0.307 0.000 1.239 9 F CB -0.707 38.120 39.000 -0.289 0.000 0.991 9 F HN -0.019 nan 8.300 nan 0.000 0.474 10 L N 0.216 121.355 121.223 -0.139 0.000 2.012 10 L HA -0.282 4.058 4.340 0.001 0.000 0.210 10 L C 2.376 179.170 176.870 -0.127 0.000 1.073 10 L CA 1.804 56.510 54.840 -0.223 0.000 0.748 10 L CB -0.982 41.007 42.059 -0.117 0.000 0.891 10 L HN 0.278 nan 8.230 nan 0.000 0.431 11 N N 0.061 118.739 118.700 -0.036 0.000 2.025 11 N HA -0.218 4.522 4.740 0.001 0.000 0.194 11 N C 1.824 177.325 175.510 -0.016 0.000 1.044 11 N CA 2.670 55.731 53.050 0.018 0.000 0.851 11 N CB -0.493 38.042 38.487 0.079 0.000 1.036 11 N HN 0.394 nan 8.380 nan 0.000 0.422 12 T N -3.097 111.416 114.554 -0.067 0.000 2.720 12 T HA -0.150 4.201 4.350 0.001 0.000 0.268 12 T C 1.960 176.557 174.700 -0.172 0.000 1.037 12 T CA 2.122 64.154 62.100 -0.113 0.000 1.144 12 T CB -1.367 67.352 68.868 -0.249 0.000 0.864 12 T HN 0.199 nan 8.240 nan 0.000 0.444 13 T N 1.970 116.325 114.554 -0.331 0.000 2.684 13 T HA -0.071 4.280 4.350 0.001 0.000 0.267 13 T C 2.191 176.829 174.700 -0.104 0.000 1.036 13 T CA 1.455 63.368 62.100 -0.311 0.000 1.148 13 T CB -0.713 67.872 68.868 -0.472 0.000 0.863 13 T HN 0.298 nan 8.240 nan 0.000 0.436 14 V N 1.576 121.501 119.914 0.019 0.000 2.343 14 V HA -0.186 3.935 4.120 0.001 0.000 0.247 14 V C 2.603 178.756 176.094 0.098 0.000 1.051 14 V CA 1.595 63.995 62.300 0.166 0.000 1.036 14 V CB -0.656 31.317 31.823 0.250 0.000 0.654 14 V HN 0.391 nan 8.190 nan 0.000 0.451 15 R N -0.450 120.085 120.500 0.059 0.000 2.105 15 R HA -0.185 4.156 4.340 0.001 0.000 0.239 15 R C 2.251 178.655 176.300 0.173 0.000 1.135 15 R CA 1.670 57.802 56.100 0.054 0.000 0.967 15 R CB -0.559 29.806 30.300 0.107 0.000 0.861 15 R HN 0.432 nan 8.270 nan 0.000 0.442 16 L N 1.033 122.337 121.223 0.134 0.000 2.005 16 L HA -0.112 4.228 4.340 0.001 0.000 0.207 16 L C 1.966 178.899 176.870 0.106 0.000 1.072 16 L CA 1.625 56.564 54.840 0.165 0.000 0.744 16 L CB -0.483 41.579 42.059 0.005 0.000 0.895 16 L HN 0.097 nan 8.230 nan 0.000 0.433 17 L N -0.531 120.614 121.223 -0.129 0.000 2.079 17 L HA -0.230 4.111 4.340 0.001 0.000 0.210 17 L C 2.559 179.355 176.870 -0.123 0.000 1.081 17 L CA 1.667 56.274 54.840 -0.388 0.000 0.752 17 L CB -0.615 40.707 42.059 -1.229 0.000 0.896 17 L HN 0.402 nan 8.230 nan 0.000 0.433 18 E N -0.880 119.343 120.200 0.040 0.000 2.046 18 E HA -0.208 4.142 4.350 0.001 0.000 0.190 18 E C 2.142 178.826 176.600 0.141 0.000 0.982 18 E CA 1.101 57.587 56.400 0.144 0.000 0.800 18 E CB -0.174 29.582 29.700 0.092 0.000 0.756 18 E HN 0.454 nan 8.360 nan 0.000 0.449 19 Y N 0.924 121.299 120.300 0.125 0.000 2.241 19 Y HA -0.209 4.341 4.550 0.001 0.000 0.286 19 Y C 2.284 178.278 175.900 0.157 0.000 1.166 19 Y CA 1.111 59.294 58.100 0.138 0.000 1.203 19 Y CB -0.124 38.424 38.460 0.147 0.000 0.977 19 Y HN 0.179 nan 8.280 nan 0.000 0.529 20 I N -2.621 118.155 120.570 0.344 0.000 3.603 20 I HA 0.177 4.348 4.170 0.001 0.000 0.297 20 I C 0.310 176.636 176.117 0.348 0.000 1.269 20 I CA 0.173 61.654 61.300 0.301 0.000 1.361 20 I CB 0.104 38.309 38.000 0.341 0.000 1.063 20 I HN -0.016 nan 8.210 nan 0.000 0.448 21 R N 0.126 120.799 120.500 0.289 0.000 3.390 21 R HA -0.219 4.122 4.340 0.001 0.000 0.280 21 R C -0.670 175.735 176.300 0.175 0.000 1.126 21 R CA 0.130 56.384 56.100 0.255 0.000 0.757 21 R CB -2.817 27.632 30.300 0.248 0.000 1.296 21 R HN 0.505 nan 8.270 nan 0.000 0.431 22 Y N 2.830 123.051 120.300 -0.132 0.000 2.721 22 Y HA -0.002 4.548 4.550 0.001 0.000 0.329 22 Y C 0.974 176.745 175.900 -0.214 0.000 1.211 22 Y CA 0.885 58.685 58.100 -0.500 0.000 1.512 22 Y CB 0.334 38.505 38.460 -0.482 0.000 1.249 22 Y HN 0.340 nan 8.280 nan 0.000 0.549 23 R N 2.625 122.693 120.500 -0.721 0.000 2.752 23 R HA 0.351 4.691 4.340 0.001 0.000 0.277 23 R C -1.512 174.574 176.300 -0.357 0.000 1.024 23 R CA -1.139 54.744 56.100 -0.361 0.000 0.866 23 R CB 0.563 30.797 30.300 -0.109 0.000 1.278 23 R HN 0.375 nan 8.270 nan 0.000 0.473 24 D N 1.094 121.377 120.400 -0.194 0.000 2.370 24 D HA 0.231 4.871 4.640 0.001 0.000 0.235 24 D C -0.039 176.220 176.300 -0.068 0.000 1.228 24 D CA 0.630 54.552 54.000 -0.130 0.000 0.884 24 D CB 0.583 41.339 40.800 -0.075 0.000 1.201 24 D HN 0.636 nan 8.370 nan 0.000 0.456 25 S N -0.656 115.025 115.700 -0.032 0.000 2.638 25 S HA 0.353 4.823 4.470 0.001 0.000 0.274 25 S C -0.019 174.602 174.600 0.036 0.000 1.157 25 S CA -1.008 57.205 58.200 0.021 0.000 0.826 25 S CB 1.175 64.414 63.200 0.064 0.000 1.139 25 S HN 0.310 nan 8.310 nan 0.000 0.474 26 N N 0.221 118.952 118.700 0.051 0.000 2.421 26 N HA 0.055 4.796 4.740 0.001 0.000 0.201 26 N C -1.025 174.554 175.510 0.116 0.000 1.198 26 N CA 0.205 53.287 53.050 0.053 0.000 0.838 26 N CB -0.282 38.225 38.487 0.033 0.000 1.011 26 N HN 0.621 nan 8.380 nan 0.000 0.463 27 Y N 2.863 123.132 120.300 -0.052 0.000 2.595 27 Y HA 0.143 4.693 4.550 0.001 0.000 0.336 27 Y C 0.711 176.559 175.900 -0.087 0.000 0.996 27 Y CA -1.511 56.547 58.100 -0.069 0.000 1.260 27 Y CB -0.342 38.068 38.460 -0.084 0.000 1.108 27 Y HN -0.061 nan 8.280 nan 0.000 0.509 28 T N 1.554 116.076 114.554 -0.052 0.000 2.788 28 T HA 0.279 4.630 4.350 0.001 0.000 0.287 28 T C 1.391 175.937 174.700 -0.257 0.000 1.007 28 T CA -0.448 61.575 62.100 -0.129 0.000 1.005 28 T CB 1.125 69.959 68.868 -0.058 0.000 1.012 28 T HN 0.724 nan 8.240 nan 0.000 0.530 29 R N 0.182 120.574 120.500 -0.181 0.000 2.075 29 R HA -0.062 4.278 4.340 0.001 0.000 0.232 29 R C 2.448 178.668 176.300 -0.134 0.000 1.126 29 R CA 1.609 57.602 56.100 -0.180 0.000 0.963 29 R CB -0.314 29.930 30.300 -0.094 0.000 0.858 29 R HN 0.743 nan 8.270 nan 0.000 0.435 30 E N 0.460 120.614 120.200 -0.077 0.000 2.160 30 E HA -0.182 4.168 4.350 0.001 0.000 0.195 30 E C 1.641 178.219 176.600 -0.037 0.000 0.991 30 E CA 1.220 57.600 56.400 -0.033 0.000 0.810 30 E CB 0.012 29.706 29.700 -0.011 0.000 0.742 30 E HN 0.416 nan 8.360 nan 0.000 0.466 31 E N 0.111 120.264 120.200 -0.078 0.000 2.112 31 E HA -0.041 4.309 4.350 0.001 0.000 0.190 31 E C 2.100 178.637 176.600 -0.104 0.000 0.979 31 E CA 0.419 56.795 56.400 -0.041 0.000 0.814 31 E CB 0.011 29.729 29.700 0.030 0.000 0.762 31 E HN 0.145 nan 8.360 nan 0.000 0.460 32 R N 0.659 120.962 120.500 -0.328 0.000 2.070 32 R HA -0.095 4.245 4.340 0.001 0.000 0.233 32 R C 2.449 178.677 176.300 -0.121 0.000 1.137 32 R CA 1.185 57.075 56.100 -0.349 0.000 0.945 32 R CB -0.383 29.595 30.300 -0.538 0.000 0.845 32 R HN 0.159 nan 8.270 nan 0.000 0.430 33 I N 1.152 121.675 120.570 -0.078 0.000 2.194 33 I HA -0.311 3.859 4.170 0.001 0.000 0.246 33 I C 2.099 178.283 176.117 0.112 0.000 1.093 33 I CA 1.545 62.859 61.300 0.025 0.000 1.355 33 I CB -0.293 37.755 38.000 0.080 0.000 1.046 33 I HN 0.287 nan 8.210 nan 0.000 0.413 34 E N 0.544 120.799 120.200 0.093 0.000 2.051 34 E HA -0.209 4.142 4.350 0.001 0.000 0.192 34 E C 1.909 178.625 176.600 0.193 0.000 0.991 34 E CA 1.250 57.739 56.400 0.149 0.000 0.799 34 E CB -0.159 29.598 29.700 0.095 0.000 0.748 34 E HN 0.497 nan 8.360 nan 0.000 0.449 35 N N 0.911 119.691 118.700 0.134 0.000 2.106 35 N HA -0.095 4.646 4.740 0.001 0.000 0.188 35 N C 2.037 177.644 175.510 0.162 0.000 1.029 35 N CA 0.737 53.883 53.050 0.160 0.000 0.848 35 N CB -0.401 38.185 38.487 0.166 0.000 1.007 35 N HN 0.095 nan 8.380 nan 0.000 0.423 36 L N 0.247 121.489 121.223 0.032 0.000 1.997 36 L HA -0.268 4.073 4.340 0.001 0.000 0.216 36 L C 2.441 179.440 176.870 0.216 0.000 1.074 36 L CA 1.673 56.420 54.840 -0.155 0.000 0.763 36 L CB -0.567 41.024 42.059 -0.780 0.000 0.890 36 L HN 0.301 nan 8.230 nan 0.000 0.434 37 H N -1.385 117.838 119.070 0.255 0.000 2.353 37 H HA -0.260 4.296 4.556 0.001 0.000 0.300 37 H C 2.098 177.586 175.328 0.266 0.000 1.090 37 H CA 1.965 58.197 56.048 0.306 0.000 1.327 37 H CB -0.261 29.631 29.762 0.217 0.000 1.383 37 H HN 0.327 nan 8.280 nan 0.000 0.508 38 Y N 0.328 120.674 120.300 0.077 0.000 2.181 38 Y HA -0.181 4.370 4.550 0.001 0.000 0.288 38 Y C 2.575 178.472 175.900 -0.004 0.000 1.146 38 Y CA 1.805 59.906 58.100 0.003 0.000 1.164 38 Y CB -0.669 37.831 38.460 0.067 0.000 0.982 38 Y HN 0.340 nan 8.280 nan 0.000 0.515 39 A N -0.746 122.177 122.820 0.172 0.000 1.873 39 A HA -0.209 4.111 4.320 0.001 0.000 0.215 39 A C 2.112 179.725 177.584 0.048 0.000 1.186 39 A CA 1.530 53.626 52.037 0.098 0.000 0.616 39 A CB -1.546 17.535 19.000 0.135 0.000 0.823 39 A HN 0.697 nan 8.150 nan 0.000 0.442 40 Y N 1.289 121.614 120.300 0.041 0.000 2.097 40 Y HA -0.305 4.245 4.550 0.001 0.000 0.282 40 Y C 2.282 178.146 175.900 -0.060 0.000 1.152 40 Y CA 2.366 60.506 58.100 0.068 0.000 1.136 40 Y CB -0.594 37.996 38.460 0.216 0.000 0.975 40 Y HN 0.449 nan 8.280 nan 0.000 0.498 41 N N 0.378 119.004 118.700 -0.123 0.000 2.061 41 N HA -0.273 4.468 4.740 0.001 0.000 0.193 41 N C 1.988 177.433 175.510 -0.109 0.000 1.030 41 N CA 2.127 55.069 53.050 -0.180 0.000 0.856 41 N CB -0.388 37.878 38.487 -0.368 0.000 1.023 41 N HN 0.441 nan 8.380 nan 0.000 0.424 42 K N -0.472 119.775 120.400 -0.255 0.000 2.025 42 K HA -0.030 4.291 4.320 0.001 0.000 0.207 42 K C 1.896 178.421 176.600 -0.124 0.000 1.049 42 K CA 1.162 57.319 56.287 -0.217 0.000 0.933 42 K CB -0.265 32.061 32.500 -0.290 0.000 0.714 42 K HN 0.268 nan 8.250 nan 0.000 0.438 43 A N 1.119 123.843 122.820 -0.159 0.000 1.902 43 A HA -0.082 4.238 4.320 0.001 0.000 0.217 43 A C 2.303 179.836 177.584 -0.086 0.000 1.181 43 A CA 1.807 53.767 52.037 -0.128 0.000 0.623 43 A CB -0.711 18.255 19.000 -0.057 0.000 0.818 43 A HN 0.468 nan 8.150 nan 0.000 0.443 44 A N -0.978 121.661 122.820 -0.300 0.000 1.933 44 A HA -0.156 4.164 4.320 0.001 0.000 0.218 44 A C 1.912 179.380 177.584 -0.194 0.000 1.175 44 A CA 1.886 53.709 52.037 -0.357 0.000 0.628 44 A CB -0.813 17.724 19.000 -0.771 0.000 0.814 44 A HN 0.668 nan 8.150 nan 0.000 0.444 45 H N -2.230 116.745 119.070 -0.159 0.000 2.495 45 H HA -0.058 4.499 4.556 0.000 0.000 0.287 45 H C 1.970 177.237 175.328 -0.102 0.000 1.033 45 H CA 1.404 57.390 56.048 -0.104 0.000 1.307 45 H CB -0.097 29.607 29.762 -0.096 0.000 1.401 45 H HN 0.712 nan 8.280 nan 0.000 0.555 46 H N -0.285 118.705 119.070 -0.135 0.000 2.307 46 H HA -0.101 4.455 4.556 0.001 0.000 0.303 46 H C 1.130 176.243 175.328 -0.359 0.000 1.073 46 H CA 1.252 57.121 56.048 -0.298 0.000 1.338 46 H CB -0.202 29.249 29.762 -0.519 0.000 1.389 46 H HN 0.299 nan 8.280 nan 0.000 0.503 47 F N 0.820 120.691 119.950 -0.132 0.000 2.699 47 F HA 0.080 4.607 4.527 0.001 0.000 0.298 47 F C 2.550 178.249 175.800 -0.168 0.000 1.154 47 F CA 0.765 58.654 58.000 -0.185 0.000 1.457 47 F CB -0.232 38.672 39.000 -0.159 0.000 1.106 47 F HN 0.241 nan 8.300 nan 0.000 0.585 48 A N -0.906 121.894 122.820 -0.033 0.000 2.195 48 A HA 0.054 4.374 4.320 0.001 0.000 0.210 48 A C 1.058 178.602 177.584 -0.068 0.000 1.165 48 A CA -0.194 51.812 52.037 -0.052 0.000 0.806 48 A CB -0.431 18.509 19.000 -0.099 0.000 0.847 48 A HN 0.288 nan 8.150 nan 0.000 0.482 49 Q N 0.679 120.410 119.800 -0.116 0.000 2.364 49 Q HA 0.104 4.444 4.340 0.001 0.000 0.267 49 Q C -1.486 174.466 176.000 -0.079 0.000 0.999 49 Q CA -1.569 54.169 55.803 -0.108 0.000 0.886 49 Q CB 0.587 29.221 28.738 -0.175 0.000 1.243 49 Q HN 0.227 nan 8.270 nan 0.000 0.415 50 P HA -0.287 nan 4.420 nan 0.000 0.215 50 P C 1.024 178.308 177.300 -0.026 0.000 1.157 50 P CA 1.517 64.600 63.100 -0.030 0.000 0.874 50 P CB 0.100 31.788 31.700 -0.021 0.000 0.790 51 R N 0.097 120.575 120.500 -0.037 0.000 2.096 51 R HA -0.179 4.162 4.340 0.001 0.000 0.240 51 R C 2.526 178.817 176.300 -0.015 0.000 1.139 51 R CA 1.796 57.881 56.100 -0.024 0.000 0.952 51 R CB -0.495 29.786 30.300 -0.032 0.000 0.854 51 R HN 0.137 nan 8.270 nan 0.000 0.436 52 Q N 0.023 119.790 119.800 -0.055 0.000 2.167 52 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 52 Q C 2.015 178.048 176.000 0.056 0.000 0.970 52 Q CA 1.109 56.905 55.803 -0.011 0.000 0.855 52 Q CB -0.118 28.527 28.738 -0.155 0.000 0.911 52 Q HN 0.513 nan 8.270 nan 0.000 0.438 53 Q N 0.582 120.394 119.800 0.021 0.000 2.172 53 Q HA -0.068 4.272 4.340 0.001 0.000 0.200 53 Q C 2.002 178.023 176.000 0.034 0.000 0.964 53 Q CA 0.939 56.761 55.803 0.031 0.000 0.855 53 Q CB 0.099 28.841 28.738 0.008 0.000 0.918 53 Q HN 0.538 nan 8.270 nan 0.000 0.444 54 Q N -0.055 119.762 119.800 0.027 0.000 1.994 54 Q HA -0.008 4.332 4.340 0.001 0.000 0.198 54 Q C 2.252 178.278 176.000 0.045 0.000 0.976 54 Q CA 0.795 56.615 55.803 0.028 0.000 0.828 54 Q CB 0.107 28.856 28.738 0.018 0.000 0.894 54 Q HN 0.304 nan 8.270 nan 0.000 0.432 55 L N 0.256 121.515 121.223 0.059 0.000 2.156 55 L HA -0.044 4.297 4.340 0.001 0.000 0.208 55 L C 1.013 177.955 176.870 0.121 0.000 1.095 55 L CA 0.259 55.148 54.840 0.082 0.000 0.770 55 L CB -0.292 41.818 42.059 0.085 0.000 0.914 55 L HN 0.213 nan 8.230 nan 0.000 0.439 56 L N 2.058 123.368 121.223 0.145 0.000 2.356 56 L HA 0.149 4.489 4.340 0.001 0.000 0.282 56 L C 0.184 177.127 176.870 0.122 0.000 1.132 56 L CA 0.011 54.964 54.840 0.189 0.000 0.923 56 L CB -0.175 42.037 42.059 0.254 0.000 1.278 56 L HN -0.124 nan 8.230 nan 0.000 0.436 57 K N 4.272 124.734 120.400 0.104 0.000 2.166 57 K HA 0.334 4.654 4.320 0.001 0.000 0.273 57 K C -1.007 175.622 176.600 0.048 0.000 1.095 57 K CA 0.051 56.373 56.287 0.059 0.000 0.985 57 K CB 0.161 32.686 32.500 0.041 0.000 1.172 57 K HN 0.328 nan 8.250 nan 0.000 0.401 58 V N 1.045 120.977 119.914 0.030 0.000 2.888 58 V HA 0.088 4.208 4.120 0.001 0.000 0.309 58 V C -0.257 175.831 176.094 -0.010 0.000 1.114 58 V CA -1.486 60.818 62.300 0.007 0.000 0.940 58 V CB 2.336 34.155 31.823 -0.007 0.000 1.021 58 V HN 0.549 nan 8.190 nan 0.000 0.426 59 D N 4.703 125.093 120.400 -0.017 0.000 2.493 59 D HA 0.142 4.782 4.640 0.001 0.000 0.240 59 D C -1.545 174.738 176.300 -0.029 0.000 1.142 59 D CA -0.648 53.340 54.000 -0.021 0.000 0.872 59 D CB 1.648 42.434 40.800 -0.023 0.000 1.173 59 D HN 0.235 nan 8.370 nan 0.000 0.467 60 P HA -0.218 nan 4.420 nan 0.000 0.215 60 P C 1.084 178.363 177.300 -0.034 0.000 1.157 60 P CA 1.515 64.597 63.100 -0.030 0.000 0.874 60 P CB 0.145 31.832 31.700 -0.021 0.000 0.790 61 K N -0.184 120.198 120.400 -0.029 0.000 2.032 61 K HA -0.134 4.187 4.320 0.001 0.000 0.209 61 K C 2.090 178.668 176.600 -0.036 0.000 1.048 61 K CA 1.585 57.855 56.287 -0.030 0.000 0.927 61 K CB -0.855 31.628 32.500 -0.028 0.000 0.712 61 K HN 0.236 nan 8.250 nan 0.000 0.441 62 R N 0.618 121.094 120.500 -0.039 0.000 2.148 62 R HA -0.066 4.275 4.340 0.001 0.000 0.227 62 R C 2.340 178.605 176.300 -0.059 0.000 1.103 62 R CA 0.595 56.670 56.100 -0.042 0.000 0.983 62 R CB -0.335 29.942 30.300 -0.038 0.000 0.874 62 R HN 0.069 nan 8.270 nan 0.000 0.451 63 L N 0.959 122.136 121.223 -0.076 0.000 2.072 63 L HA -0.129 4.211 4.340 0.001 0.000 0.205 63 L C 2.324 179.122 176.870 -0.120 0.000 1.079 63 L CA 1.752 56.511 54.840 -0.136 0.000 0.752 63 L CB -0.442 41.524 42.059 -0.154 0.000 0.906 63 L HN -0.006 nan 8.230 nan 0.000 0.436 64 Q N 0.030 119.794 119.800 -0.061 0.000 2.050 64 Q HA -0.138 4.202 4.340 0.001 0.000 0.202 64 Q C 2.174 178.179 176.000 0.007 0.000 0.980 64 Q CA 2.344 58.142 55.803 -0.009 0.000 0.840 64 Q CB -0.526 28.211 28.738 -0.002 0.000 0.898 64 Q HN 0.592 nan 8.270 nan 0.000 0.424 65 A N -0.808 122.004 122.820 -0.013 0.000 1.969 65 A HA -0.121 4.200 4.320 0.001 0.000 0.218 65 A C 2.297 179.893 177.584 0.021 0.000 1.169 65 A CA 1.697 53.734 52.037 0.000 0.000 0.635 65 A CB -0.604 18.384 19.000 -0.019 0.000 0.810 65 A HN 0.403 nan 8.150 nan 0.000 0.445 66 S N -0.599 115.095 115.700 -0.010 0.000 2.371 66 S HA -0.089 4.382 4.470 0.001 0.000 0.224 66 S C 1.846 176.454 174.600 0.014 0.000 1.029 66 S CA 1.261 59.460 58.200 -0.003 0.000 0.978 66 S CB -0.351 62.818 63.200 -0.052 0.000 0.833 66 S HN 0.491 nan 8.310 nan 0.000 0.466 67 L N 2.054 123.263 121.223 -0.023 0.000 2.017 67 L HA -0.087 4.254 4.340 0.001 0.000 0.208 67 L C 2.193 179.179 176.870 0.193 0.000 1.073 67 L CA 1.820 56.673 54.840 0.022 0.000 0.745 67 L CB -0.865 41.180 42.059 -0.025 0.000 0.894 67 L HN 0.256 nan 8.230 nan 0.000 0.432 68 Q N -1.390 118.555 119.800 0.242 0.000 2.170 68 Q HA -0.181 4.159 4.340 0.001 0.000 0.203 68 Q C 1.952 178.169 176.000 0.363 0.000 0.976 68 Q CA 2.045 58.071 55.803 0.372 0.000 0.858 68 Q CB -0.214 28.631 28.738 0.179 0.000 0.907 68 Q HN 0.543 nan 8.270 nan 0.000 0.433 69 T N 0.767 115.473 114.554 0.253 0.000 2.857 69 T HA -0.033 4.317 4.350 0.001 0.000 0.266 69 T C 1.714 176.585 174.700 0.285 0.000 1.048 69 T CA 0.558 62.855 62.100 0.328 0.000 1.139 69 T CB 0.090 69.132 68.868 0.291 0.000 0.874 69 T HN 0.142 nan 8.240 nan 0.000 0.455 70 I N 1.019 121.677 120.570 0.147 0.000 2.353 70 I HA -0.044 4.126 4.170 0.001 0.000 0.248 70 I C 2.478 178.562 176.117 -0.054 0.000 1.119 70 I CA 0.870 62.174 61.300 0.006 0.000 1.417 70 I CB -1.153 36.873 38.000 0.044 0.000 1.078 70 I HN 0.106 nan 8.210 nan 0.000 0.421 71 V N 1.315 121.263 119.914 0.057 0.000 2.407 71 V HA -0.201 3.920 4.120 0.001 0.000 0.248 71 V C 2.640 178.659 176.094 -0.125 0.000 1.055 71 V CA 2.044 64.365 62.300 0.035 0.000 1.049 71 V CB -1.279 30.680 31.823 0.227 0.000 0.662 71 V HN 0.504 nan 8.190 nan 0.000 0.455 72 G N -1.175 107.530 108.800 -0.159 0.000 2.408 72 G HA2 -0.296 3.665 3.960 0.001 0.000 0.217 72 G HA3 -0.296 3.665 3.960 0.001 0.000 0.217 72 G C 1.624 176.198 174.900 -0.544 0.000 1.150 72 G CA 1.025 45.883 45.100 -0.403 0.000 0.776 72 G HN 0.437 nan 8.290 nan 0.000 0.542 73 M N 0.275 119.410 119.600 -0.775 0.000 2.132 73 M HA -0.037 4.444 4.480 0.001 0.000 0.263 73 M C 2.483 178.612 176.300 -0.286 0.000 1.065 73 M CA 1.304 55.869 55.300 -1.225 0.000 1.122 73 M CB -0.093 31.464 32.600 -1.738 0.000 1.365 73 M HN 0.106 nan 8.290 nan 0.000 0.411 74 V N -0.121 119.687 119.914 -0.177 0.000 2.244 74 V HA -0.226 3.895 4.120 0.001 0.000 0.244 74 V C 2.384 178.621 176.094 0.238 0.000 1.042 74 V CA 1.607 63.905 62.300 -0.003 0.000 1.006 74 V CB -0.578 31.084 31.823 -0.267 0.000 0.641 74 V HN 0.374 nan 8.190 nan 0.000 0.446 75 V N -0.977 119.023 119.914 0.143 0.000 2.392 75 V HA -0.277 3.843 4.120 0.001 0.000 0.249 75 V C 2.240 178.634 176.094 0.501 0.000 1.059 75 V CA 2.063 64.528 62.300 0.275 0.000 1.051 75 V CB -0.725 31.215 31.823 0.196 0.000 0.658 75 V HN 0.557 nan 8.190 nan 0.000 0.455 76 Y N -0.149 120.245 120.300 0.157 0.000 2.420 76 Y HA 0.026 4.576 4.550 0.001 0.000 0.292 76 Y C 2.616 178.631 175.900 0.193 0.000 1.119 76 Y CA 0.789 59.020 58.100 0.218 0.000 1.229 76 Y CB -0.307 38.236 38.460 0.139 0.000 1.026 76 Y HN 0.241 nan 8.280 nan 0.000 0.554 77 S N -2.713 113.189 115.700 0.337 0.000 2.497 77 S HA 0.010 4.480 4.470 0.001 0.000 0.221 77 S C 0.822 175.481 174.600 0.100 0.000 1.037 77 S CA -0.193 58.066 58.200 0.098 0.000 0.920 77 S CB 0.069 63.154 63.200 -0.193 0.000 0.800 77 S HN 0.430 nan 8.310 nan 0.000 0.505 78 W N 2.228 123.574 121.300 0.076 0.000 2.824 78 W HA 0.471 5.131 4.660 0.001 0.000 0.435 78 W C 1.447 177.935 176.519 -0.052 0.000 0.765 78 W CA -0.566 56.793 57.345 0.023 0.000 2.346 78 W CB -0.302 29.178 29.460 0.034 0.000 1.275 78 W HN 0.322 nan 8.180 nan 0.000 0.831 79 A N 0.610 123.447 122.820 0.029 0.000 2.032 79 A HA -0.216 4.104 4.320 0.001 0.000 0.221 79 A C 2.029 179.453 177.584 -0.268 0.000 1.165 79 A CA 1.407 53.275 52.037 -0.282 0.000 0.645 79 A CB -0.065 18.545 19.000 -0.649 0.000 0.807 79 A HN 0.051 nan 8.150 nan 0.000 0.453 80 K N -0.281 120.043 120.400 -0.127 0.000 2.444 80 K HA 0.132 4.453 4.320 0.001 0.000 0.193 80 K C 0.743 177.338 176.600 -0.009 0.000 1.024 80 K CA 0.623 56.864 56.287 -0.077 0.000 1.077 80 K CB -0.412 32.074 32.500 -0.023 0.000 0.833 80 K HN 0.550 nan 8.250 nan 0.000 0.517 81 V N -0.864 119.067 119.914 0.029 0.000 3.109 81 V HA 0.394 4.515 4.120 0.001 0.000 0.317 81 V C 0.648 176.724 176.094 -0.029 0.000 1.074 81 V CA -1.080 61.234 62.300 0.024 0.000 1.033 81 V CB 1.444 33.306 31.823 0.065 0.000 1.111 81 V HN 0.216 nan 8.190 nan 0.000 0.458 82 S N 1.092 116.748 115.700 -0.073 0.000 2.580 82 S HA 0.180 4.650 4.470 0.001 0.000 0.266 82 S C 0.840 175.389 174.600 -0.085 0.000 1.354 82 S CA 0.330 58.478 58.200 -0.087 0.000 1.008 82 S CB 0.299 63.445 63.200 -0.089 0.000 0.898 82 S HN 0.837 nan 8.310 nan 0.000 0.555 83 K N 0.572 120.905 120.400 -0.111 0.000 2.063 83 K HA -0.115 4.205 4.320 0.001 0.000 0.208 83 K C 2.257 178.898 176.600 0.069 0.000 1.048 83 K CA 1.568 57.780 56.287 -0.124 0.000 0.928 83 K CB -0.184 31.982 32.500 -0.557 0.000 0.713 83 K HN 0.613 nan 8.250 nan 0.000 0.442 84 E N 0.480 120.722 120.200 0.069 0.000 2.038 84 E HA -0.231 4.119 4.350 0.001 0.000 0.195 84 E C 2.178 178.780 176.600 0.003 0.000 1.000 84 E CA 0.970 57.475 56.400 0.174 0.000 0.803 84 E CB -0.653 29.164 29.700 0.194 0.000 0.750 84 E HN 0.328 nan 8.360 nan 0.000 0.448 85 C N 0.733 119.834 119.300 -0.332 0.000 2.413 85 C HA -0.125 4.335 4.460 0.001 0.000 0.277 85 C C 2.780 177.617 174.990 -0.256 0.000 1.265 85 C CA 0.859 59.443 59.018 -0.723 0.000 1.752 85 C CB -0.994 26.266 27.740 -0.800 0.000 1.998 85 C HN 0.392 nan 8.230 nan 0.000 0.489 86 M N 0.758 120.291 119.600 -0.111 0.000 2.175 86 M HA -0.059 4.422 4.480 0.001 0.000 0.264 86 M C 2.558 178.848 176.300 -0.015 0.000 1.063 86 M CA 1.890 57.159 55.300 -0.051 0.000 1.119 86 M CB -0.505 32.120 32.600 0.043 0.000 1.377 86 M HN 0.528 nan 8.290 nan 0.000 0.415 87 A N 0.607 123.458 122.820 0.051 0.000 1.873 87 A HA -0.173 4.147 4.320 0.001 0.000 0.215 87 A C 1.725 179.317 177.584 0.014 0.000 1.186 87 A CA 1.915 53.977 52.037 0.042 0.000 0.616 87 A CB -0.649 18.387 19.000 0.059 0.000 0.823 87 A HN 0.389 nan 8.150 nan 0.000 0.442 88 D N 0.133 120.563 120.400 0.050 0.000 2.144 88 D HA -0.076 4.564 4.640 0.001 0.000 0.200 88 D C 1.941 178.281 176.300 0.067 0.000 0.978 88 D CA 0.863 54.925 54.000 0.103 0.000 0.833 88 D CB -0.369 40.555 40.800 0.208 0.000 0.961 88 D HN 0.431 nan 8.370 nan 0.000 0.470 89 L N 0.629 121.841 121.223 -0.019 0.000 2.141 89 L HA -0.118 4.223 4.340 0.001 0.000 0.209 89 L C 2.464 179.327 176.870 -0.012 0.000 1.094 89 L CA 0.621 55.406 54.840 -0.092 0.000 0.763 89 L CB -0.255 41.662 42.059 -0.236 0.000 0.908 89 L HN -0.056 nan 8.230 nan 0.000 0.437 90 S N 0.231 115.923 115.700 -0.014 0.000 2.356 90 S HA -0.144 4.326 4.470 0.001 0.000 0.223 90 S C 1.952 176.569 174.600 0.027 0.000 1.032 90 S CA 1.261 59.471 58.200 0.018 0.000 1.005 90 S CB -0.185 63.021 63.200 0.011 0.000 0.867 90 S HN 0.285 nan 8.310 nan 0.000 0.449 91 I N 0.411 120.958 120.570 -0.038 0.000 2.179 91 I HA -0.232 3.938 4.170 0.001 0.000 0.242 91 I C 2.420 178.470 176.117 -0.113 0.000 1.088 91 I CA 1.654 62.845 61.300 -0.182 0.000 1.357 91 I CB -0.426 37.210 38.000 -0.607 0.000 1.051 91 I HN 0.343 nan 8.210 nan 0.000 0.409 92 H N 0.295 119.295 119.070 -0.116 0.000 2.293 92 H HA -0.223 4.334 4.556 0.001 0.000 0.300 92 H C 1.925 177.148 175.328 -0.175 0.000 1.082 92 H CA 2.074 58.031 56.048 -0.151 0.000 1.308 92 H CB -0.180 29.355 29.762 -0.378 0.000 1.375 92 H HN 0.232 nan 8.280 nan 0.000 0.495 93 Y N -0.379 119.948 120.300 0.046 0.000 2.574 93 Y HA -0.097 4.454 4.550 0.001 0.000 0.294 93 Y C 2.551 178.423 175.900 -0.046 0.000 1.142 93 Y CA 1.324 59.402 58.100 -0.037 0.000 1.314 93 Y CB -0.330 38.086 38.460 -0.073 0.000 0.991 93 Y HN 0.275 nan 8.280 nan 0.000 0.555 94 T N -1.599 112.992 114.554 0.062 0.000 2.937 94 T HA -0.110 4.240 4.350 0.001 0.000 0.260 94 T C 1.388 176.083 174.700 -0.007 0.000 1.051 94 T CA 0.838 62.916 62.100 -0.037 0.000 1.141 94 T CB -0.391 68.363 68.868 -0.190 0.000 0.879 94 T HN 0.180 nan 8.240 nan 0.000 0.459 95 Y N 2.364 122.685 120.300 0.034 0.000 2.128 95 Y HA -0.195 4.356 4.550 0.001 0.000 0.284 95 Y C 3.128 179.239 175.900 0.353 0.000 1.154 95 Y CA 1.513 59.682 58.100 0.115 0.000 1.149 95 Y CB -1.241 37.093 38.460 -0.209 0.000 0.976 95 Y HN 0.340 nan 8.280 nan 0.000 0.505 96 T N -1.944 112.801 114.554 0.319 0.000 2.867 96 T HA -0.185 4.165 4.350 0.001 0.000 0.268 96 T C 1.936 176.762 174.700 0.210 0.000 1.057 96 T CA 1.263 63.490 62.100 0.213 0.000 1.136 96 T CB -0.763 67.837 68.868 -0.448 0.000 0.874 96 T HN 0.210 nan 8.240 nan 0.000 0.466 97 L N 1.241 122.555 121.223 0.153 0.000 2.072 97 L HA 0.173 4.513 4.340 0.001 0.000 0.205 97 L C 2.581 179.536 176.870 0.142 0.000 1.079 97 L CA 1.223 56.154 54.840 0.152 0.000 0.752 97 L CB -0.765 41.358 42.059 0.106 0.000 0.906 97 L HN 0.162 nan 8.230 nan 0.000 0.436 98 V N -0.334 119.662 119.914 0.138 0.000 2.490 98 V HA -0.245 3.876 4.120 0.001 0.000 0.250 98 V C 2.513 178.667 176.094 0.099 0.000 1.061 98 V CA 1.485 63.849 62.300 0.107 0.000 1.064 98 V CB -0.650 31.238 31.823 0.108 0.000 0.670 98 V HN 0.497 nan 8.190 nan 0.000 0.461 99 L N 0.241 121.524 121.223 0.099 0.000 2.187 99 L HA -0.194 4.146 4.340 0.001 0.000 0.213 99 L C 1.991 178.756 176.870 -0.174 0.000 1.100 99 L CA 1.957 56.672 54.840 -0.209 0.000 0.765 99 L CB -0.834 40.822 42.059 -0.673 0.000 0.904 99 L HN 0.315 nan 8.230 nan 0.000 0.437 100 D N -0.854 119.520 120.400 -0.042 0.000 2.348 100 D HA -0.146 4.494 4.640 0.001 0.000 0.216 100 D C 1.101 177.369 176.300 -0.053 0.000 0.970 100 D CA 0.627 54.592 54.000 -0.059 0.000 0.889 100 D CB 0.224 41.041 40.800 0.029 0.000 0.912 100 D HN 0.450 nan 8.370 nan 0.000 0.524 101 D N -0.582 119.797 120.400 -0.035 0.000 2.289 101 D HA -0.024 4.616 4.640 0.001 0.000 0.207 101 D C 0.618 176.892 176.300 -0.043 0.000 0.966 101 D CA 0.251 54.234 54.000 -0.029 0.000 0.868 101 D CB 0.134 40.928 40.800 -0.011 0.000 0.943 101 D HN -0.083 nan 8.370 nan 0.000 0.514 102 S N -0.019 115.643 115.700 -0.063 0.000 2.572 102 S HA 0.091 4.562 4.470 0.001 0.000 0.279 102 S C 0.927 175.477 174.600 -0.085 0.000 1.341 102 S CA -0.131 58.029 58.200 -0.066 0.000 1.043 102 S CB 1.046 64.198 63.200 -0.078 0.000 0.887 102 S HN 0.103 nan 8.310 nan 0.000 0.516 103 K N 1.985 122.342 120.400 -0.072 0.000 2.464 103 K HA 0.140 4.460 4.320 0.001 0.000 0.206 103 K C -0.716 175.833 176.600 -0.085 0.000 1.186 103 K CA -0.242 55.999 56.287 -0.077 0.000 0.990 103 K CB 0.128 32.591 32.500 -0.062 0.000 1.003 103 K HN 0.556 nan 8.250 nan 0.000 0.562 104 D N 2.690 123.044 120.400 -0.078 0.000 2.493 104 D HA -0.069 4.572 4.640 0.001 0.000 0.240 104 D C -0.371 175.864 176.300 -0.109 0.000 1.142 104 D CA 0.511 54.462 54.000 -0.081 0.000 0.872 104 D CB 0.913 41.668 40.800 -0.075 0.000 1.173 104 D HN 0.175 nan 8.370 nan 0.000 0.467 105 D N 2.278 122.615 120.400 -0.104 0.000 2.417 105 D HA 0.054 4.694 4.640 0.001 0.000 0.250 105 D C -1.730 174.455 176.300 -0.192 0.000 1.166 105 D CA -1.439 52.480 54.000 -0.134 0.000 0.881 105 D CB 1.143 41.916 40.800 -0.044 0.000 1.164 105 D HN 0.038 nan 8.370 nan 0.000 0.467 106 P HA -0.073 nan 4.420 nan 0.000 0.222 106 P C 0.918 177.948 177.300 -0.450 0.000 1.153 106 P CA 0.428 63.222 63.100 -0.510 0.000 0.798 106 P CB -0.035 30.963 31.700 -1.170 0.000 0.796 107 Y N 3.088 123.068 120.300 -0.534 0.000 1.967 107 Y HA -0.246 4.304 4.550 0.001 0.000 0.260 107 Y C -0.748 175.175 175.900 0.039 0.000 1.181 107 Y CA 2.776 60.845 58.100 -0.052 0.000 1.097 107 Y CB -2.111 36.452 38.460 0.172 0.000 0.934 107 Y HN 0.079 nan 8.280 nan 0.000 0.492 108 P HA -0.137 nan 4.420 nan 0.000 0.222 108 P C 1.222 178.587 177.300 0.108 0.000 1.147 108 P CA 2.449 65.694 63.100 0.242 0.000 0.790 108 P CB -0.493 31.331 31.700 0.208 0.000 0.780 109 T N -5.587 109.019 114.554 0.087 0.000 3.100 109 T HA 0.147 4.498 4.350 0.001 0.000 0.253 109 T C 1.513 176.321 174.700 0.180 0.000 1.118 109 T CA 0.253 62.434 62.100 0.135 0.000 1.058 109 T CB -0.446 68.527 68.868 0.175 0.000 0.953 109 T HN -0.124 nan 8.240 nan 0.000 0.515 110 M N 0.639 120.305 119.600 0.109 0.000 2.333 110 M HA 0.344 4.824 4.480 0.001 0.000 0.257 110 M C 1.866 178.243 176.300 0.128 0.000 1.078 110 M CA -0.017 55.380 55.300 0.161 0.000 1.005 110 M CB -0.014 32.693 32.600 0.178 0.000 1.444 110 M HN 0.151 nan 8.290 nan 0.000 0.496 111 V N 1.774 121.705 119.914 0.028 0.000 2.469 111 V HA -0.224 3.897 4.120 0.001 0.000 0.251 111 V C 1.276 177.426 176.094 0.094 0.000 1.064 111 V CA 1.448 63.757 62.300 0.016 0.000 1.066 111 V CB -0.500 31.331 31.823 0.014 0.000 0.667 111 V HN 0.513 nan 8.190 nan 0.000 0.461 112 N N -1.704 117.066 118.700 0.117 0.000 2.338 112 N HA 0.106 4.846 4.740 0.001 0.000 0.251 112 N C 0.964 176.541 175.510 0.111 0.000 1.199 112 N CA -0.141 52.974 53.050 0.107 0.000 0.879 112 N CB 0.432 38.959 38.487 0.066 0.000 1.159 112 N HN 0.563 nan 8.380 nan 0.000 0.514 113 Y N 1.029 121.357 120.300 0.047 0.000 2.070 113 Y HA -0.248 4.302 4.550 0.001 0.000 0.280 113 Y C 2.063 177.957 175.900 -0.011 0.000 1.148 113 Y CA 1.681 59.780 58.100 -0.001 0.000 1.125 113 Y CB -0.478 37.992 38.460 0.016 0.000 0.975 113 Y HN 0.050 nan 8.280 nan 0.000 0.492 114 F N 1.287 121.185 119.950 -0.086 0.000 2.102 114 F HA -0.228 4.300 4.527 0.001 0.000 0.298 114 F C 2.166 177.851 175.800 -0.191 0.000 1.105 114 F CA 2.268 60.151 58.000 -0.196 0.000 1.239 114 F CB -0.528 38.469 39.000 -0.005 0.000 0.991 114 F HN 0.129 nan 8.300 nan 0.000 0.474 115 D N 0.164 120.570 120.400 0.010 0.000 2.144 115 D HA -0.181 4.459 4.640 0.001 0.000 0.199 115 D C 1.780 177.948 176.300 -0.220 0.000 0.984 115 D CA 1.515 55.467 54.000 -0.079 0.000 0.834 115 D CB -0.449 40.376 40.800 0.042 0.000 0.955 115 D HN 0.379 nan 8.370 nan 0.000 0.465 116 D N 0.318 120.586 120.400 -0.219 0.000 2.149 116 D HA -0.088 4.553 4.640 0.001 0.000 0.201 116 D C 2.205 178.305 176.300 -0.333 0.000 0.972 116 D CA 0.154 54.021 54.000 -0.222 0.000 0.835 116 D CB -0.235 40.470 40.800 -0.158 0.000 0.966 116 D HN 0.119 nan 8.370 nan 0.000 0.476 117 L N 1.063 121.970 121.223 -0.526 0.000 1.989 117 L HA -0.223 4.118 4.340 0.001 0.000 0.211 117 L C 2.326 178.896 176.870 -0.500 0.000 1.071 117 L CA 1.843 56.333 54.840 -0.582 0.000 0.749 117 L CB -0.775 40.779 42.059 -0.841 0.000 0.890 117 L HN -0.108 nan 8.230 nan 0.000 0.431 118 Q N -0.366 119.039 119.800 -0.658 0.000 2.181 118 Q HA -0.152 4.189 4.340 0.001 0.000 0.205 118 Q C 1.889 177.712 176.000 -0.294 0.000 0.980 118 Q CA 2.066 57.553 55.803 -0.526 0.000 0.862 118 Q CB -0.352 27.988 28.738 -0.663 0.000 0.905 118 Q HN 0.615 nan 8.270 nan 0.000 0.429 119 A N -1.174 121.494 122.820 -0.253 0.000 2.178 119 A HA 0.398 4.718 4.320 0.001 0.000 0.211 119 A C 1.525 179.025 177.584 -0.140 0.000 1.157 119 A CA 0.715 52.657 52.037 -0.158 0.000 0.780 119 A CB -0.468 18.458 19.000 -0.122 0.000 0.828 119 A HN 0.713 nan 8.150 nan 0.000 0.476 120 G N -0.551 108.146 108.800 -0.172 0.000 2.147 120 G HA2 -0.246 3.714 3.960 0.001 0.000 0.244 120 G HA3 -0.246 3.714 3.960 0.001 0.000 0.244 120 G C 0.156 174.991 174.900 -0.108 0.000 1.005 120 G CA 0.259 45.276 45.100 -0.138 0.000 0.713 120 G HN 0.621 nan 8.290 nan 0.000 0.515 121 R N 0.213 120.644 120.500 -0.115 0.000 2.457 121 R HA 0.435 4.775 4.340 0.001 0.000 0.284 121 R C 0.578 176.833 176.300 -0.075 0.000 1.024 121 R CA -0.648 55.405 56.100 -0.079 0.000 1.025 121 R CB 1.056 31.316 30.300 -0.068 0.000 1.063 121 R HN 0.472 nan 8.270 nan 0.000 0.493 122 E N 2.231 122.407 120.200 -0.040 0.000 2.502 122 E HA -0.126 4.224 4.350 0.001 0.000 0.261 122 E C -0.356 176.242 176.600 -0.003 0.000 0.974 122 E CA -0.035 56.355 56.400 -0.016 0.000 0.936 122 E CB 0.691 30.395 29.700 0.006 0.000 0.926 122 E HN 0.200 nan 8.360 nan 0.000 0.459 123 Q N 2.077 121.889 119.800 0.021 0.000 2.392 123 Q HA 0.031 4.371 4.340 0.001 0.000 0.262 123 Q C 0.550 176.628 176.000 0.130 0.000 1.003 123 Q CA 0.599 56.444 55.803 0.070 0.000 0.888 123 Q CB 1.463 30.288 28.738 0.144 0.000 1.260 123 Q HN 0.739 nan 8.270 nan 0.000 0.435 124 A N 2.883 125.792 122.820 0.148 0.000 1.897 124 A HA -0.119 4.201 4.320 0.001 0.000 0.215 124 A C 0.870 178.564 177.584 0.183 0.000 1.181 124 A CA 0.804 52.923 52.037 0.137 0.000 0.620 124 A CB -0.326 18.744 19.000 0.118 0.000 0.821 124 A HN 0.727 nan 8.150 nan 0.000 0.443 125 H N 1.551 120.751 119.070 0.217 0.000 3.026 125 H HA 0.114 4.670 4.556 0.001 0.000 0.289 125 H C -1.602 173.883 175.328 0.262 0.000 1.022 125 H CA -1.618 54.586 56.048 0.259 0.000 1.477 125 H CB 1.159 31.151 29.762 0.384 0.000 1.510 125 H HN 0.160 nan 8.280 nan 0.000 0.535 126 P HA -0.179 nan 4.420 nan 0.000 0.219 126 P C 1.613 179.130 177.300 0.362 0.000 1.146 126 P CA 0.992 64.241 63.100 0.248 0.000 0.808 126 P CB -0.042 31.731 31.700 0.122 0.000 0.779 127 W N -0.236 121.315 121.300 0.418 0.000 2.379 127 W HA -0.043 4.617 4.660 0.001 0.000 0.307 127 W C 2.293 178.797 176.519 -0.025 0.000 1.200 127 W CA 1.096 58.518 57.345 0.129 0.000 1.297 127 W CB -1.092 28.387 29.460 0.031 0.000 1.140 127 W HN -0.136 nan 8.180 nan 0.000 0.507 128 W N 0.244 121.708 121.300 0.273 0.000 2.363 128 W HA -0.174 4.486 4.660 0.000 0.000 0.296 128 W C 2.596 179.062 176.519 -0.089 0.000 1.212 128 W CA 1.583 58.932 57.345 0.007 0.000 1.260 128 W CB -0.704 28.794 29.460 0.063 0.000 1.131 128 W HN -0.036 nan 8.180 nan 0.000 0.530 129 A N 0.249 123.211 122.820 0.237 0.000 1.865 129 A HA -0.217 4.104 4.320 0.001 0.000 0.217 129 A C 1.905 179.484 177.584 -0.008 0.000 1.191 129 A CA 1.673 53.774 52.037 0.107 0.000 0.623 129 A CB -1.058 18.006 19.000 0.107 0.000 0.826 129 A HN 0.276 nan 8.150 nan 0.000 0.444 130 L N -0.758 120.395 121.223 -0.117 0.000 2.005 130 L HA -0.140 4.200 4.340 0.001 0.000 0.207 130 L C 2.577 179.161 176.870 -0.477 0.000 1.072 130 L CA 1.191 55.885 54.840 -0.242 0.000 0.744 130 L CB -0.752 41.144 42.059 -0.272 0.000 0.895 130 L HN 0.243 nan 8.230 nan 0.000 0.433 131 V N 0.426 119.809 119.914 -0.886 0.000 2.332 131 V HA -0.296 3.825 4.120 0.001 0.000 0.248 131 V C 2.191 178.120 176.094 -0.274 0.000 1.055 131 V CA 1.966 63.693 62.300 -0.954 0.000 1.038 131 V CB -0.693 30.239 31.823 -1.485 0.000 0.651 131 V HN 0.490 nan 8.190 nan 0.000 0.450 132 N N -0.342 118.369 118.700 0.018 0.000 2.300 132 N HA -0.126 4.614 4.740 0.001 0.000 0.179 132 N C 1.881 177.474 175.510 0.139 0.000 1.016 132 N CA 1.190 54.375 53.050 0.225 0.000 0.876 132 N CB -0.225 38.374 38.487 0.187 0.000 0.979 132 N HN 0.677 nan 8.380 nan 0.000 0.432 133 E N 0.050 120.287 120.200 0.061 0.000 2.106 133 E HA -0.214 4.136 4.350 0.001 0.000 0.192 133 E C 1.600 178.261 176.600 0.101 0.000 0.984 133 E CA 0.902 57.339 56.400 0.062 0.000 0.806 133 E CB -0.075 29.652 29.700 0.044 0.000 0.750 133 E HN 0.449 nan 8.360 nan 0.000 0.458 134 H N -0.853 118.225 119.070 0.012 0.000 2.551 134 H HA -0.038 4.518 4.556 0.001 0.000 0.266 134 H C 1.564 176.942 175.328 0.082 0.000 0.964 134 H CA 0.231 56.300 56.048 0.036 0.000 1.180 134 H CB -0.003 29.784 29.762 0.042 0.000 1.408 134 H HN 0.180 nan 8.280 nan 0.000 0.563 135 F N 2.190 122.097 119.950 -0.072 0.000 2.087 135 F HA -0.116 4.411 4.527 0.001 0.000 0.299 135 F C -0.704 174.983 175.800 -0.188 0.000 1.100 135 F CA 1.047 58.995 58.000 -0.087 0.000 1.226 135 F CB -1.444 37.556 39.000 0.001 0.000 0.983 135 F HN 0.284 nan 8.300 nan 0.000 0.479 136 P HA -0.214 nan 4.420 nan 0.000 0.217 136 P C 0.990 178.220 177.300 -0.118 0.000 1.148 136 P CA 2.096 65.170 63.100 -0.044 0.000 0.834 136 P CB -0.275 31.393 31.700 -0.053 0.000 0.783 137 N N -1.214 117.347 118.700 -0.231 0.000 2.309 137 N HA -0.082 4.658 4.740 0.001 0.000 0.182 137 N C 1.332 176.733 175.510 -0.180 0.000 1.018 137 N CA 0.545 53.438 53.050 -0.262 0.000 0.876 137 N CB -0.151 38.107 38.487 -0.382 0.000 0.972 137 N HN 0.039 nan 8.380 nan 0.000 0.434 138 V N 1.338 121.199 119.914 -0.088 0.000 2.374 138 V HA -0.076 4.044 4.120 0.001 0.000 0.241 138 V C 2.150 178.390 176.094 0.243 0.000 1.034 138 V CA 0.905 63.292 62.300 0.145 0.000 1.037 138 V CB -0.419 31.471 31.823 0.111 0.000 0.682 138 V HN 0.245 nan 8.190 nan 0.000 0.463 139 L N 1.117 122.445 121.223 0.175 0.000 2.187 139 L HA -0.209 4.131 4.340 0.001 0.000 0.213 139 L C 2.808 179.733 176.870 0.092 0.000 1.100 139 L CA 1.846 56.787 54.840 0.168 0.000 0.765 139 L CB -0.827 41.223 42.059 -0.014 0.000 0.904 139 L HN 0.493 nan 8.230 nan 0.000 0.437 140 R N -0.559 119.879 120.500 -0.104 0.000 2.159 140 R HA -0.179 4.162 4.340 0.001 0.000 0.237 140 R C 1.544 177.677 176.300 -0.279 0.000 1.131 140 R CA 1.361 57.334 56.100 -0.211 0.000 0.982 140 R CB -0.762 29.351 30.300 -0.312 0.000 0.868 140 R HN 0.473 nan 8.270 nan 0.000 0.453 141 H N -0.357 118.601 119.070 -0.187 0.000 2.556 141 H HA 0.164 4.720 4.556 0.001 0.000 0.268 141 H C -0.279 174.555 175.328 -0.823 0.000 0.996 141 H CA 0.478 56.200 56.048 -0.543 0.000 1.157 141 H CB -0.118 29.142 29.762 -0.837 0.000 1.355 141 H HN 0.141 nan 8.280 nan 0.000 0.597 142 F N -0.983 119.038 119.950 0.119 0.000 2.629 142 F HA 0.529 5.057 4.527 0.001 0.000 0.316 142 F C 1.058 176.907 175.800 0.082 0.000 1.081 142 F CA -1.204 56.868 58.000 0.119 0.000 0.954 142 F CB 0.962 40.027 39.000 0.109 0.000 1.337 142 F HN -0.121 nan 8.300 nan 0.000 0.474 143 G N 0.482 109.477 108.800 0.326 0.000 2.588 143 G HA2 0.404 4.365 3.960 0.001 0.000 0.281 143 G HA3 0.404 4.365 3.960 0.001 0.000 0.281 143 G C -1.890 173.126 174.900 0.193 0.000 1.236 143 G CA -1.286 43.944 45.100 0.217 0.000 0.969 143 G HN 0.395 nan 8.290 nan 0.000 0.504 144 P HA -0.221 nan 4.420 nan 0.000 0.214 144 P C 1.657 179.052 177.300 0.159 0.000 1.163 144 P CA 1.193 64.373 63.100 0.132 0.000 0.889 144 P CB 0.014 31.790 31.700 0.128 0.000 0.790 145 F N 0.689 120.691 119.950 0.086 0.000 2.102 145 F HA -0.177 4.351 4.527 0.001 0.000 0.298 145 F C 2.367 178.173 175.800 0.011 0.000 1.105 145 F CA 1.421 59.465 58.000 0.073 0.000 1.239 145 F CB -1.095 37.983 39.000 0.130 0.000 0.991 145 F HN -0.041 nan 8.300 nan 0.000 0.474 146 C N -0.406 118.899 119.300 0.008 0.000 2.440 146 C HA -0.120 4.340 4.460 0.001 0.000 0.278 146 C C 3.048 177.905 174.990 -0.221 0.000 1.295 146 C CA 1.437 60.369 59.018 -0.145 0.000 1.738 146 C CB -1.366 26.412 27.740 0.064 0.000 1.987 146 C HN 0.551 nan 8.230 nan 0.000 0.492 147 S N 0.830 116.472 115.700 -0.097 0.000 2.356 147 S HA -0.164 4.306 4.470 0.001 0.000 0.223 147 S C 1.718 176.209 174.600 -0.181 0.000 1.032 147 S CA 1.289 59.413 58.200 -0.127 0.000 1.005 147 S CB -0.471 62.700 63.200 -0.047 0.000 0.867 147 S HN 0.551 nan 8.310 nan 0.000 0.449 148 L N 2.809 123.935 121.223 -0.162 0.000 2.127 148 L HA -0.072 4.269 4.340 0.001 0.000 0.211 148 L C 1.709 178.480 176.870 -0.166 0.000 1.089 148 L CA 1.666 56.416 54.840 -0.149 0.000 0.757 148 L CB -0.786 41.205 42.059 -0.113 0.000 0.899 148 L HN 0.252 nan 8.230 nan 0.000 0.434 149 N N -0.800 117.741 118.700 -0.267 0.000 2.188 149 N HA -0.148 4.592 4.740 0.001 0.000 0.184 149 N C 1.774 177.245 175.510 -0.066 0.000 1.018 149 N CA 1.355 54.287 53.050 -0.196 0.000 0.858 149 N CB -0.052 38.238 38.487 -0.328 0.000 0.989 149 N HN 0.285 nan 8.380 nan 0.000 0.426 150 L N 1.394 122.548 121.223 -0.114 0.000 2.027 150 L HA -0.044 4.296 4.340 0.001 0.000 0.206 150 L C 2.205 179.160 176.870 0.143 0.000 1.074 150 L CA 1.042 55.870 54.840 -0.020 0.000 0.745 150 L CB -0.450 41.539 42.059 -0.117 0.000 0.898 150 L HN 0.105 nan 8.230 nan 0.000 0.433 151 I N -1.154 119.409 120.570 -0.011 0.000 2.179 151 I HA -0.310 3.860 4.170 0.001 0.000 0.242 151 I C 2.620 178.851 176.117 0.190 0.000 1.088 151 I CA 1.180 62.500 61.300 0.035 0.000 1.357 151 I CB -0.351 37.549 38.000 -0.166 0.000 1.051 151 I HN 0.198 nan 8.210 nan 0.000 0.409 152 R N 0.137 120.707 120.500 0.117 0.000 2.070 152 R HA -0.164 4.177 4.340 0.001 0.000 0.233 152 R C 2.565 178.981 176.300 0.193 0.000 1.137 152 R CA 1.772 57.958 56.100 0.143 0.000 0.945 152 R CB -0.684 29.673 30.300 0.094 0.000 0.845 152 R HN 0.249 nan 8.270 nan 0.000 0.430 153 S N -0.094 115.712 115.700 0.175 0.000 2.383 153 S HA -0.150 4.320 4.470 0.001 0.000 0.229 153 S C 1.762 176.547 174.600 0.309 0.000 1.030 153 S CA 1.888 60.196 58.200 0.180 0.000 1.002 153 S CB -0.210 63.086 63.200 0.160 0.000 0.829 153 S HN 0.362 nan 8.310 nan 0.000 0.467 154 T N 2.010 116.813 114.554 0.414 0.000 2.904 154 T HA 0.031 4.381 4.350 0.001 0.000 0.267 154 T C 1.611 176.703 174.700 0.653 0.000 1.059 154 T CA 1.053 63.481 62.100 0.545 0.000 1.137 154 T CB -0.290 68.974 68.868 0.659 0.000 0.879 154 T HN 0.268 nan 8.240 nan 0.000 0.467 155 L N 1.625 123.219 121.223 0.619 0.000 2.072 155 L HA -0.003 4.337 4.340 0.001 0.000 0.205 155 L C 1.699 178.844 176.870 0.459 0.000 1.079 155 L CA 1.756 56.980 54.840 0.642 0.000 0.752 155 L CB -0.657 41.650 42.059 0.414 0.000 0.906 155 L HN 0.032 nan 8.230 nan 0.000 0.436 156 D N -0.924 119.664 120.400 0.314 0.000 2.117 156 D HA -0.254 4.387 4.640 0.001 0.000 0.197 156 D C 2.000 178.407 176.300 0.179 0.000 0.987 156 D CA 1.490 55.599 54.000 0.181 0.000 0.829 156 D CB -0.407 40.446 40.800 0.089 0.000 0.961 156 D HN 0.374 nan 8.370 nan 0.000 0.460 157 F N 0.359 120.385 119.950 0.126 0.000 2.161 157 F HA -0.176 4.351 4.527 0.001 0.000 0.300 157 F C 2.027 177.832 175.800 0.008 0.000 1.089 157 F CA 0.920 58.956 58.000 0.060 0.000 1.282 157 F CB -0.378 38.683 39.000 0.102 0.000 1.010 157 F HN -0.089 nan 8.300 nan 0.000 0.485 158 F N 1.324 121.218 119.950 -0.094 0.000 2.102 158 F HA -0.184 4.343 4.527 0.001 0.000 0.298 158 F C 2.577 178.294 175.800 -0.140 0.000 1.105 158 F CA 2.203 60.029 58.000 -0.289 0.000 1.239 158 F CB -0.809 38.166 39.000 -0.042 0.000 0.991 158 F HN 0.153 nan 8.300 nan 0.000 0.474 159 E N -0.309 119.973 120.200 0.136 0.000 2.153 159 E HA -0.139 4.211 4.350 0.001 0.000 0.194 159 E C 2.438 178.955 176.600 -0.137 0.000 0.988 159 E CA 1.135 57.567 56.400 0.055 0.000 0.811 159 E CB -0.677 29.058 29.700 0.058 0.000 0.746 159 E HN 0.522 nan 8.360 nan 0.000 0.466 160 G N 0.419 109.077 108.800 -0.238 0.000 2.421 160 G HA2 -0.297 3.663 3.960 0.001 0.000 0.216 160 G HA3 -0.297 3.663 3.960 0.001 0.000 0.216 160 G C 1.689 176.383 174.900 -0.343 0.000 1.171 160 G CA 0.966 45.880 45.100 -0.309 0.000 0.775 160 G HN 0.413 nan 8.290 nan 0.000 0.543 161 C N -0.924 118.043 119.300 -0.554 0.000 2.440 161 C HA 0.008 4.469 4.460 0.001 0.000 0.278 161 C C 2.335 177.183 174.990 -0.237 0.000 1.295 161 C CA 0.177 58.897 59.018 -0.497 0.000 1.738 161 C CB -1.021 26.263 27.740 -0.760 0.000 1.987 161 C HN 0.658 nan 8.230 nan 0.000 0.492 162 W N 1.894 122.906 121.300 -0.480 0.000 2.333 162 W HA -0.112 4.548 4.660 0.001 0.000 0.316 162 W C 2.122 178.604 176.519 -0.062 0.000 1.215 162 W CA 1.330 58.503 57.345 -0.286 0.000 1.278 162 W CB -1.069 28.212 29.460 -0.298 0.000 1.154 162 W HN 0.297 nan 8.180 nan 0.000 0.486 163 I N 0.748 121.378 120.570 0.100 0.000 2.208 163 I HA -0.330 3.840 4.170 0.001 0.000 0.245 163 I C 2.209 178.436 176.117 0.183 0.000 1.097 163 I CA 1.804 63.131 61.300 0.045 0.000 1.363 163 I CB -0.743 37.248 38.000 -0.015 0.000 1.051 163 I HN -0.007 nan 8.210 nan 0.000 0.413 164 E N 0.517 120.774 120.200 0.096 0.000 2.338 164 E HA -0.226 4.124 4.350 0.001 0.000 0.197 164 E C 1.988 178.666 176.600 0.129 0.000 1.007 164 E CA 0.630 57.087 56.400 0.094 0.000 0.849 164 E CB -0.157 29.535 29.700 -0.013 0.000 0.774 164 E HN 0.626 nan 8.360 nan 0.000 0.506 165 Q N -0.346 119.559 119.800 0.174 0.000 2.291 165 Q HA -0.141 4.200 4.340 0.001 0.000 0.205 165 Q C 0.980 177.037 176.000 0.095 0.000 0.970 165 Q CA 0.917 56.781 55.803 0.102 0.000 0.876 165 Q CB 0.015 28.800 28.738 0.080 0.000 0.935 165 Q HN 0.407 nan 8.270 nan 0.000 0.455 166 Y N -0.053 120.287 120.300 0.067 0.000 2.511 166 Y HA 0.015 4.566 4.550 0.001 0.000 0.279 166 Y C 0.700 176.652 175.900 0.087 0.000 1.157 166 Y CA 0.177 58.312 58.100 0.059 0.000 1.300 166 Y CB -0.084 38.394 38.460 0.029 0.000 1.052 166 Y HN 0.130 nan 8.280 nan 0.000 0.529 167 N N -0.217 118.616 118.700 0.222 0.000 2.727 167 N HA -0.279 4.462 4.740 0.001 0.000 0.249 167 N C -0.920 174.725 175.510 0.224 0.000 1.048 167 N CA 0.240 53.386 53.050 0.161 0.000 0.714 167 N CB -1.529 37.010 38.487 0.087 0.000 0.959 167 N HN 0.233 nan 8.380 nan 0.000 0.544 168 F N -0.396 119.601 119.950 0.079 0.000 2.405 168 F HA 0.619 5.146 4.527 0.001 0.000 0.355 168 F C 1.440 177.254 175.800 0.024 0.000 1.121 168 F CA -0.544 57.448 58.000 -0.014 0.000 1.112 168 F CB 0.979 39.918 39.000 -0.102 0.000 1.126 168 F HN 0.026 nan 8.300 nan 0.000 0.481 169 G N 3.043 111.580 108.800 -0.438 0.000 3.189 169 G HA2 0.435 4.395 3.960 0.001 0.000 0.225 169 G HA3 0.435 4.395 3.960 0.001 0.000 0.225 169 G C 0.439 174.921 174.900 -0.698 0.000 1.159 169 G CA 0.165 45.069 45.100 -0.327 0.000 0.763 169 G HN 1.376 nan 8.290 nan 0.000 0.549 170 G N -0.744 106.792 108.800 -2.107 0.000 2.650 170 G HA2 0.007 3.968 3.960 0.001 0.000 0.686 170 G HA3 0.007 3.968 3.960 0.001 0.000 0.686 170 G C -0.663 173.637 174.900 -1.001 0.000 1.205 170 G CA -1.133 42.809 45.100 -1.929 0.000 0.781 170 G HN 0.190 nan 8.290 nan 0.000 0.648 171 F N 1.286 121.023 119.950 -0.356 0.000 2.399 171 F HA 0.496 5.023 4.527 0.001 0.000 0.342 171 F C -1.358 174.409 175.800 -0.055 0.000 1.106 171 F CA -2.075 55.893 58.000 -0.053 0.000 1.196 171 F CB 1.048 40.078 39.000 0.050 0.000 1.163 171 F HN 0.165 nan 8.300 nan 0.000 0.547 172 P HA 0.170 nan 4.420 nan 0.000 0.262 172 P C 0.620 177.972 177.300 0.086 0.000 1.199 172 P CA 1.237 64.409 63.100 0.121 0.000 0.763 172 P CB 0.374 32.134 31.700 0.100 0.000 0.790 173 G N 2.603 111.440 108.800 0.061 0.000 2.213 173 G HA2 -0.246 3.715 3.960 0.001 0.000 0.226 173 G HA3 -0.246 3.715 3.960 0.001 0.000 0.226 173 G C 0.677 175.417 174.900 -0.267 0.000 0.992 173 G CA 0.090 45.104 45.100 -0.144 0.000 0.632 173 G HN 0.618 nan 8.290 nan 0.000 0.511 174 S N 1.366 117.063 115.700 -0.006 0.000 4.139 174 S HA 0.386 4.856 4.470 0.001 0.000 0.215 174 S C 1.741 176.445 174.600 0.173 0.000 1.390 174 S CA 0.037 58.272 58.200 0.058 0.000 0.885 174 S CB -0.407 62.867 63.200 0.124 0.000 1.560 174 S HN 0.382 nan 8.310 nan 0.000 0.449 175 H N 1.715 120.864 119.070 0.131 0.000 2.422 175 H HA -0.050 4.506 4.556 0.001 0.000 0.298 175 H C 1.350 176.784 175.328 0.176 0.000 1.098 175 H CA 1.236 57.373 56.048 0.148 0.000 1.315 175 H CB -0.022 29.808 29.762 0.113 0.000 1.382 175 H HN 0.560 nan 8.280 nan 0.000 0.523 176 D N -0.508 120.050 120.400 0.264 0.000 2.355 176 D HA -0.097 4.543 4.640 0.001 0.000 0.218 176 D C 1.857 178.295 176.300 0.230 0.000 1.004 176 D CA 0.128 54.257 54.000 0.215 0.000 0.880 176 D CB -0.186 40.694 40.800 0.134 0.000 0.911 176 D HN 0.359 nan 8.370 nan 0.000 0.528 177 Y N 1.966 122.337 120.300 0.118 0.000 2.114 177 Y HA -0.106 4.445 4.550 0.001 0.000 0.284 177 Y C -0.905 175.116 175.900 0.201 0.000 1.143 177 Y CA 1.498 59.680 58.100 0.136 0.000 1.135 177 Y CB -1.220 37.258 38.460 0.031 0.000 0.980 177 Y HN -0.013 nan 8.280 nan 0.000 0.499 178 P HA -0.248 nan 4.420 nan 0.000 0.213 178 P C 1.519 178.734 177.300 -0.141 0.000 1.176 178 P CA 2.493 65.505 63.100 -0.146 0.000 0.919 178 P CB -0.132 31.488 31.700 -0.134 0.000 0.791 179 Q N -2.007 117.819 119.800 0.044 0.000 2.167 179 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 179 Q C 2.097 178.122 176.000 0.041 0.000 0.970 179 Q CA 1.140 57.002 55.803 0.098 0.000 0.855 179 Q CB -0.789 28.090 28.738 0.235 0.000 0.911 179 Q HN 0.300 nan 8.270 nan 0.000 0.438 180 F N 1.150 121.041 119.950 -0.098 0.000 2.095 180 F HA -0.259 4.269 4.527 0.001 0.000 0.298 180 F C 1.975 177.657 175.800 -0.196 0.000 1.104 180 F CA 1.152 59.082 58.000 -0.117 0.000 1.232 180 F CB -0.389 38.551 39.000 -0.100 0.000 0.987 180 F HN 0.070 nan 8.300 nan 0.000 0.475 181 L N 0.936 121.853 121.223 -0.510 0.000 2.027 181 L HA -0.077 4.263 4.340 0.001 0.000 0.206 181 L C 2.554 179.204 176.870 -0.367 0.000 1.074 181 L CA 1.781 56.258 54.840 -0.606 0.000 0.745 181 L CB -1.017 40.682 42.059 -0.600 0.000 0.898 181 L HN 0.124 nan 8.230 nan 0.000 0.433 182 R N -0.113 120.243 120.500 -0.241 0.000 2.127 182 R HA -0.098 4.242 4.340 0.001 0.000 0.238 182 R C 2.342 178.567 176.300 -0.125 0.000 1.134 182 R CA 1.540 57.562 56.100 -0.130 0.000 0.975 182 R CB -0.331 29.930 30.300 -0.066 0.000 0.865 182 R HN 0.365 nan 8.270 nan 0.000 0.447 183 R N -1.117 119.283 120.500 -0.166 0.000 2.119 183 R HA -0.008 4.333 4.340 0.001 0.000 0.222 183 R C 2.121 178.316 176.300 -0.175 0.000 1.088 183 R CA 1.348 57.353 56.100 -0.158 0.000 0.984 183 R CB -0.246 29.969 30.300 -0.143 0.000 0.884 183 R HN 0.216 nan 8.270 nan 0.000 0.447 184 M N 1.927 121.364 119.600 -0.271 0.000 2.175 184 M HA -0.130 4.350 4.480 0.001 0.000 0.264 184 M C 0.973 177.217 176.300 -0.093 0.000 1.063 184 M CA 1.713 56.858 55.300 -0.257 0.000 1.119 184 M CB 0.124 32.437 32.600 -0.480 0.000 1.377 184 M HN 0.044 nan 8.290 nan 0.000 0.415 185 N N -1.278 117.387 118.700 -0.059 0.000 2.203 185 N HA 0.202 4.942 4.740 0.001 0.000 0.207 185 N C 1.256 176.940 175.510 0.290 0.000 1.130 185 N CA 0.592 53.717 53.050 0.124 0.000 0.861 185 N CB -0.932 37.544 38.487 -0.018 0.000 1.005 185 N HN 0.282 nan 8.380 nan 0.000 0.507 186 G N 0.202 109.084 108.800 0.136 0.000 2.464 186 G HA2 0.046 4.007 3.960 0.001 0.000 0.217 186 G HA3 0.046 4.007 3.960 0.001 0.000 0.217 186 G C 0.624 175.604 174.900 0.133 0.000 1.138 186 G CA 0.281 45.450 45.100 0.115 0.000 0.793 186 G HN 0.321 nan 8.290 nan 0.000 0.539 187 L N -0.739 120.569 121.223 0.142 0.000 4.291 187 L HA -0.226 4.114 4.340 0.001 0.000 0.413 187 L C 2.192 179.135 176.870 0.122 0.000 1.162 187 L CA -0.016 54.913 54.840 0.148 0.000 0.961 187 L CB -1.653 40.499 42.059 0.155 0.000 2.095 187 L HN 0.297 nan 8.230 nan 0.000 0.838 188 G N -0.538 108.296 108.800 0.056 0.000 2.553 188 G HA2 -0.280 3.680 3.960 0.001 0.000 0.218 188 G HA3 -0.280 3.680 3.960 0.001 0.000 0.218 188 G C 1.023 176.019 174.900 0.160 0.000 1.195 188 G CA 1.413 46.550 45.100 0.063 0.000 0.779 188 G HN 0.746 nan 8.290 nan 0.000 0.577 189 H N -1.439 117.622 119.070 -0.016 0.000 2.524 189 H HA 0.005 4.561 4.556 0.001 0.000 0.282 189 H C 2.495 177.803 175.328 -0.034 0.000 1.016 189 H CA 0.260 56.282 56.048 -0.043 0.000 1.270 189 H CB 0.116 29.850 29.762 -0.047 0.000 1.394 189 H HN 0.426 nan 8.280 nan 0.000 0.568 190 C N 0.205 119.600 119.300 0.160 0.000 2.500 190 C HA -0.074 4.386 4.460 0.001 0.000 0.279 190 C C 2.736 177.831 174.990 0.175 0.000 1.288 190 C CA 0.350 59.456 59.018 0.147 0.000 1.710 190 C CB -0.915 26.970 27.740 0.241 0.000 2.052 190 C HN 0.312 nan 8.230 nan 0.000 0.488 191 V N 1.370 121.412 119.914 0.212 0.000 2.237 191 V HA -0.068 4.053 4.120 0.001 0.000 0.245 191 V C 2.791 178.803 176.094 -0.135 0.000 1.046 191 V CA 2.488 64.884 62.300 0.159 0.000 1.007 191 V CB -1.597 30.204 31.823 -0.035 0.000 0.638 191 V HN 0.682 nan 8.190 nan 0.000 0.445 192 G N -0.622 108.058 108.800 -0.200 0.000 2.469 192 G HA2 -0.256 3.704 3.960 0.001 0.000 0.220 192 G HA3 -0.256 3.704 3.960 0.001 0.000 0.220 192 G C 1.640 176.475 174.900 -0.108 0.000 1.136 192 G CA 1.220 46.179 45.100 -0.235 0.000 0.759 192 G HN 0.658 nan 8.290 nan 0.000 0.562 193 A N 0.821 123.591 122.820 -0.083 0.000 2.021 193 A HA 0.180 4.501 4.320 0.001 0.000 0.216 193 A C 2.577 180.036 177.584 -0.209 0.000 1.163 193 A CA 1.763 53.763 52.037 -0.062 0.000 0.676 193 A CB -0.346 18.541 19.000 -0.189 0.000 0.818 193 A HN 0.654 nan 8.150 nan 0.000 0.453 194 S N -0.048 115.514 115.700 -0.229 0.000 2.555 194 S HA 0.074 4.545 4.470 0.001 0.000 0.230 194 S C 1.430 176.181 174.600 0.251 0.000 0.978 194 S CA 0.637 58.721 58.200 -0.194 0.000 0.934 194 S CB -0.550 62.734 63.200 0.139 0.000 0.766 194 S HN 0.448 nan 8.310 nan 0.000 0.533 195 L N -0.757 120.294 121.223 -0.287 0.000 2.551 195 L HA 0.155 4.495 4.340 0.001 0.000 0.228 195 L C 0.206 176.393 176.870 -1.137 0.000 1.153 195 L CA 0.315 54.626 54.840 -0.883 0.000 0.851 195 L CB -0.318 40.751 42.059 -1.649 0.000 0.959 195 L HN 0.475 nan 8.230 nan 0.000 0.451 196 W N -0.199 121.166 121.300 0.107 0.000 1.986 196 W HA 0.354 5.014 4.660 0.001 0.000 0.287 196 W C -2.374 174.386 176.519 0.402 0.000 0.866 196 W CA -2.226 55.120 57.345 0.002 0.000 2.056 196 W CB -0.286 29.043 29.460 -0.220 0.000 2.290 196 W HN -0.229 nan 8.180 nan 0.000 0.396 197 P HA -0.086 nan 4.420 nan 0.000 0.264 197 P C 0.996 178.449 177.300 0.254 0.000 1.183 197 P CA 0.333 63.470 63.100 0.061 0.000 0.763 197 P CB 0.852 32.515 31.700 -0.061 0.000 0.807 198 K N 2.578 123.060 120.400 0.137 0.000 2.519 198 K HA -0.169 4.152 4.320 0.001 0.000 0.196 198 K C 1.424 178.090 176.600 0.111 0.000 1.041 198 K CA 1.298 57.691 56.287 0.176 0.000 0.954 198 K CB -0.222 32.359 32.500 0.134 0.000 0.774 198 K HN 0.366 nan 8.250 nan 0.000 0.480 199 E N 1.158 121.397 120.200 0.065 0.000 2.216 199 E HA -0.104 4.246 4.350 0.001 0.000 0.192 199 E C 1.251 177.844 176.600 -0.011 0.000 0.988 199 E CA 0.824 57.236 56.400 0.021 0.000 0.834 199 E CB 0.356 30.057 29.700 0.002 0.000 0.772 199 E HN 0.532 nan 8.360 nan 0.000 0.479 200 Q N -1.053 118.741 119.800 -0.010 0.000 2.127 200 Q HA 0.184 4.525 4.340 0.001 0.000 0.222 200 Q C -0.598 175.094 176.000 -0.513 0.000 0.794 200 Q CA -0.098 55.555 55.803 -0.250 0.000 1.010 200 Q CB 0.537 29.062 28.738 -0.356 0.000 1.170 200 Q HN 0.035 nan 8.270 nan 0.000 0.479 201 F N 0.888 120.911 119.950 0.120 0.000 2.631 201 F HA 0.426 4.953 4.527 0.001 0.000 0.308 201 F C -0.324 175.541 175.800 0.107 0.000 1.097 201 F CA -1.058 57.026 58.000 0.139 0.000 0.952 201 F CB 1.786 40.943 39.000 0.261 0.000 1.307 201 F HN -0.141 nan 8.300 nan 0.000 0.450 202 N N 1.904 120.770 118.700 0.276 0.000 2.518 202 N HA 0.181 4.922 4.740 0.001 0.000 0.254 202 N C 0.355 175.949 175.510 0.140 0.000 0.979 202 N CA -0.091 53.061 53.050 0.171 0.000 0.930 202 N CB 1.222 39.772 38.487 0.104 0.000 1.152 202 N HN 0.798 nan 8.380 nan 0.000 0.505 203 E N 2.812 123.105 120.200 0.156 0.000 2.048 203 E HA -0.251 4.099 4.350 0.001 0.000 0.202 203 E C 1.312 178.000 176.600 0.146 0.000 1.021 203 E CA 1.473 57.953 56.400 0.133 0.000 0.825 203 E CB 0.087 29.916 29.700 0.215 0.000 0.756 203 E HN 0.613 nan 8.360 nan 0.000 0.454 204 R N 0.801 121.382 120.500 0.136 0.000 2.094 204 R HA -0.125 4.216 4.340 0.001 0.000 0.239 204 R C 2.606 178.941 176.300 0.059 0.000 1.137 204 R CA 1.705 57.855 56.100 0.085 0.000 0.943 204 R CB -0.567 29.754 30.300 0.035 0.000 0.850 204 R HN 0.056 nan 8.270 nan 0.000 0.433 205 S N 1.053 116.783 115.700 0.050 0.000 2.402 205 S HA 0.020 4.490 4.470 0.001 0.000 0.229 205 S C 1.657 176.273 174.600 0.028 0.000 1.021 205 S CA 0.865 59.084 58.200 0.031 0.000 0.974 205 S CB 0.063 63.282 63.200 0.033 0.000 0.800 205 S HN 0.206 nan 8.310 nan 0.000 0.484 206 L N 0.389 121.626 121.223 0.023 0.000 2.872 206 L HA 0.340 4.680 4.340 0.001 0.000 0.245 206 L C 1.197 178.011 176.870 -0.094 0.000 1.211 206 L CA -0.191 54.622 54.840 -0.045 0.000 1.013 206 L CB -0.215 41.792 42.059 -0.087 0.000 1.326 206 L HN 0.145 nan 8.230 nan 0.000 0.525 207 F N 1.134 120.980 119.950 -0.174 0.000 2.043 207 F HA -0.326 4.201 4.527 0.001 0.000 0.297 207 F C 2.063 177.732 175.800 -0.218 0.000 1.118 207 F CA 2.035 59.889 58.000 -0.243 0.000 1.202 207 F CB 0.027 38.860 39.000 -0.280 0.000 0.965 207 F HN 0.021 nan 8.300 nan 0.000 0.482 208 L N 0.020 121.290 121.223 0.078 0.000 2.042 208 L HA -0.226 4.114 4.340 0.001 0.000 0.210 208 L C 2.554 179.370 176.870 -0.091 0.000 1.076 208 L CA 1.694 56.538 54.840 0.007 0.000 0.749 208 L CB -1.009 41.058 42.059 0.013 0.000 0.893 208 L HN 0.294 nan 8.230 nan 0.000 0.432 209 E N 0.494 120.625 120.200 -0.116 0.000 2.076 209 E HA -0.142 4.209 4.350 0.001 0.000 0.190 209 E C 2.221 178.701 176.600 -0.200 0.000 0.979 209 E CA 1.060 57.407 56.400 -0.088 0.000 0.807 209 E CB -0.398 29.260 29.700 -0.071 0.000 0.761 209 E HN 0.524 nan 8.360 nan 0.000 0.454 210 I N 1.772 122.073 120.570 -0.449 0.000 2.179 210 I HA -0.218 3.953 4.170 0.001 0.000 0.242 210 I C 2.395 178.318 176.117 -0.323 0.000 1.088 210 I CA 1.599 62.507 61.300 -0.652 0.000 1.357 210 I CB -0.494 37.078 38.000 -0.714 0.000 1.051 210 I HN 0.076 nan 8.210 nan 0.000 0.409 211 T N 0.114 114.479 114.554 -0.315 0.000 2.684 211 T HA -0.170 4.180 4.350 0.001 0.000 0.267 211 T C 2.106 176.746 174.700 -0.100 0.000 1.036 211 T CA 1.902 63.881 62.100 -0.202 0.000 1.148 211 T CB -0.188 68.506 68.868 -0.290 0.000 0.863 211 T HN 0.276 nan 8.240 nan 0.000 0.436 212 S N 1.151 116.818 115.700 -0.054 0.000 2.382 212 S HA -0.011 4.460 4.470 0.001 0.000 0.228 212 S C 2.545 177.238 174.600 0.156 0.000 1.027 212 S CA 0.896 59.119 58.200 0.039 0.000 0.991 212 S CB -0.494 62.715 63.200 0.015 0.000 0.823 212 S HN 0.588 nan 8.310 nan 0.000 0.469 213 A N 1.494 124.416 122.820 0.171 0.000 1.902 213 A HA -0.038 4.283 4.320 0.001 0.000 0.217 213 A C 2.049 179.611 177.584 -0.036 0.000 1.181 213 A CA 1.127 53.191 52.037 0.044 0.000 0.623 213 A CB -0.685 18.251 19.000 -0.107 0.000 0.818 213 A HN 0.475 nan 8.150 nan 0.000 0.443 214 I N -0.216 120.316 120.570 -0.064 0.000 2.127 214 I HA -0.308 3.862 4.170 0.001 0.000 0.241 214 I C 3.012 179.044 176.117 -0.141 0.000 1.075 214 I CA 1.197 62.412 61.300 -0.141 0.000 1.334 214 I CB -0.418 37.431 38.000 -0.251 0.000 1.040 214 I HN 0.360 nan 8.210 nan 0.000 0.405 215 A N 0.028 122.780 122.820 -0.114 0.000 1.908 215 A HA -0.262 4.059 4.320 0.001 0.000 0.218 215 A C 2.251 179.833 177.584 -0.003 0.000 1.181 215 A CA 1.746 53.753 52.037 -0.050 0.000 0.627 215 A CB -0.557 18.431 19.000 -0.019 0.000 0.818 215 A HN 0.523 nan 8.150 nan 0.000 0.445 216 Q N -2.164 117.650 119.800 0.023 0.000 2.123 216 Q HA -0.010 4.330 4.340 0.001 0.000 0.196 216 Q C 2.083 178.100 176.000 0.028 0.000 0.958 216 Q CA 1.251 57.085 55.803 0.053 0.000 0.841 216 Q CB -0.190 28.631 28.738 0.138 0.000 0.915 216 Q HN 0.605 nan 8.270 nan 0.000 0.455 217 M N 1.460 121.039 119.600 -0.035 0.000 2.213 217 M HA -0.189 4.292 4.480 0.001 0.000 0.263 217 M C 1.831 178.103 176.300 -0.048 0.000 1.062 217 M CA 1.544 56.797 55.300 -0.078 0.000 1.105 217 M CB -0.123 32.319 32.600 -0.262 0.000 1.385 217 M HN 0.183 nan 8.290 nan 0.000 0.417 218 E N -0.254 119.915 120.200 -0.052 0.000 2.049 218 E HA -0.273 4.077 4.350 0.001 0.000 0.198 218 E C 1.481 177.969 176.600 -0.186 0.000 1.007 218 E CA 1.935 58.305 56.400 -0.051 0.000 0.809 218 E CB -0.153 29.582 29.700 0.058 0.000 0.749 218 E HN 0.581 nan 8.360 nan 0.000 0.450 219 N N -0.387 118.137 118.700 -0.293 0.000 2.300 219 N HA -0.127 4.613 4.740 0.001 0.000 0.179 219 N C 1.334 176.545 175.510 -0.499 0.000 1.016 219 N CA 1.028 53.618 53.050 -0.766 0.000 0.876 219 N CB -0.578 37.256 38.487 -1.088 0.000 0.979 219 N HN 0.360 nan 8.380 nan 0.000 0.432 220 W N 2.264 123.443 121.300 -0.201 0.000 2.332 220 W HA -0.073 4.588 4.660 0.001 0.000 0.321 220 W C 2.418 178.952 176.519 0.025 0.000 1.219 220 W CA 1.399 58.755 57.345 0.017 0.000 1.277 220 W CB -0.370 29.101 29.460 0.017 0.000 1.161 220 W HN -0.089 nan 8.180 nan 0.000 0.476 221 M N 0.755 120.472 119.600 0.195 0.000 2.082 221 M HA -0.227 4.253 4.480 0.001 0.000 0.258 221 M C 2.112 178.417 176.300 0.008 0.000 1.071 221 M CA 2.957 58.285 55.300 0.046 0.000 1.103 221 M CB -1.397 31.200 32.600 -0.004 0.000 1.307 221 M HN 0.104 nan 8.290 nan 0.000 0.409 222 V N -1.680 118.201 119.914 -0.054 0.000 2.407 222 V HA -0.241 3.879 4.120 0.001 0.000 0.248 222 V C 2.050 178.187 176.094 0.072 0.000 1.055 222 V CA 1.643 63.938 62.300 -0.009 0.000 1.049 222 V CB -1.601 30.145 31.823 -0.128 0.000 0.662 222 V HN 0.567 nan 8.190 nan 0.000 0.455 223 W N 0.247 121.525 121.300 -0.037 0.000 2.418 223 W HA 0.107 4.767 4.660 0.001 0.000 0.292 223 W C 2.685 179.093 176.519 -0.185 0.000 1.213 223 W CA 1.041 58.338 57.345 -0.081 0.000 1.283 223 W CB -1.164 28.242 29.460 -0.091 0.000 1.119 223 W HN 0.206 nan 8.180 nan 0.000 0.542 224 V N 0.486 120.305 119.914 -0.158 0.000 2.427 224 V HA -0.282 3.839 4.120 0.001 0.000 0.248 224 V C 1.887 177.841 176.094 -0.233 0.000 1.051 224 V CA 2.405 64.477 62.300 -0.380 0.000 1.048 224 V CB -0.909 30.380 31.823 -0.890 0.000 0.666 224 V HN 0.018 nan 8.190 nan 0.000 0.456 225 D N -0.132 120.268 120.400 -0.001 0.000 2.097 225 D HA -0.194 4.446 4.640 0.001 0.000 0.197 225 D C 1.843 178.240 176.300 0.161 0.000 0.984 225 D CA 1.367 55.436 54.000 0.115 0.000 0.826 225 D CB -0.089 40.968 40.800 0.428 0.000 0.973 225 D HN 0.366 nan 8.370 nan 0.000 0.460 226 D N -0.173 120.342 120.400 0.191 0.000 2.123 226 D HA -0.150 4.491 4.640 0.001 0.000 0.196 226 D C 2.132 178.576 176.300 0.240 0.000 0.992 226 D CA 0.561 54.700 54.000 0.231 0.000 0.833 226 D CB -0.327 40.621 40.800 0.248 0.000 0.954 226 D HN 0.243 nan 8.370 nan 0.000 0.455 227 L N 0.793 122.105 121.223 0.147 0.000 1.961 227 L HA -0.136 4.204 4.340 0.001 0.000 0.210 227 L C 2.352 179.406 176.870 0.306 0.000 1.072 227 L CA 1.673 56.606 54.840 0.156 0.000 0.749 227 L CB -0.610 41.440 42.059 -0.015 0.000 0.889 227 L HN -0.047 nan 8.230 nan 0.000 0.432 228 M N -1.360 118.308 119.600 0.113 0.000 2.346 228 M HA -0.153 4.327 4.480 0.001 0.000 0.263 228 M C 1.991 178.480 176.300 0.315 0.000 1.064 228 M CA 1.358 56.761 55.300 0.172 0.000 1.083 228 M CB -0.572 31.876 32.600 -0.253 0.000 1.399 228 M HN 0.301 nan 8.290 nan 0.000 0.435 229 S N -0.134 115.759 115.700 0.321 0.000 2.528 229 S HA 0.018 4.488 4.470 0.001 0.000 0.219 229 S C 1.350 176.129 174.600 0.299 0.000 0.985 229 S CA -0.018 58.413 58.200 0.384 0.000 0.914 229 S CB -0.292 63.133 63.200 0.375 0.000 0.776 229 S HN 0.385 nan 8.310 nan 0.000 0.526 230 F N 1.486 121.564 119.950 0.213 0.000 2.236 230 F HA -0.197 4.331 4.527 0.001 0.000 0.302 230 F C 1.873 177.784 175.800 0.186 0.000 1.073 230 F CA 1.216 59.340 58.000 0.208 0.000 1.336 230 F CB -0.303 38.837 39.000 0.234 0.000 1.040 230 F HN 0.306 nan 8.300 nan 0.000 0.507 231 Y N 1.743 121.958 120.300 -0.142 0.000 2.184 231 Y HA -0.142 4.409 4.550 0.001 0.000 0.290 231 Y C 2.480 178.133 175.900 -0.412 0.000 1.129 231 Y CA 2.195 59.919 58.100 -0.626 0.000 1.144 231 Y CB -0.778 37.181 38.460 -0.835 0.000 0.995 231 Y HN 0.184 nan 8.280 nan 0.000 0.513 232 K N -0.061 120.137 120.400 -0.336 0.000 2.211 232 K HA -0.130 4.190 4.320 0.001 0.000 0.203 232 K C 1.412 177.834 176.600 -0.296 0.000 1.050 232 K CA 1.998 58.055 56.287 -0.382 0.000 0.945 232 K CB -0.347 32.039 32.500 -0.191 0.000 0.732 232 K HN 0.418 nan 8.250 nan 0.000 0.451 233 E N -0.058 120.017 120.200 -0.207 0.000 2.385 233 E HA -0.040 4.311 4.350 0.001 0.000 0.194 233 E C 1.479 177.949 176.600 -0.216 0.000 1.013 233 E CA 0.027 56.324 56.400 -0.172 0.000 0.866 233 E CB -0.147 29.501 29.700 -0.087 0.000 0.832 233 E HN 0.246 nan 8.360 nan 0.000 0.500 234 F N 2.590 122.260 119.950 -0.467 0.000 2.063 234 F HA -0.259 4.269 4.527 0.001 0.000 0.298 234 F C 1.597 177.241 175.800 -0.260 0.000 1.109 234 F CA 1.759 59.497 58.000 -0.437 0.000 1.212 234 F CB 0.184 38.947 39.000 -0.395 0.000 0.973 234 F HN -0.103 nan 8.300 nan 0.000 0.480 235 D N -0.492 119.805 120.400 -0.172 0.000 2.349 235 D HA 0.004 4.644 4.640 0.001 0.000 0.214 235 D C -0.313 175.877 176.300 -0.184 0.000 1.063 235 D CA 0.230 54.113 54.000 -0.194 0.000 0.847 235 D CB -0.468 40.273 40.800 -0.099 0.000 0.933 235 D HN 0.285 nan 8.370 nan 0.000 0.513 236 D N 0.909 121.197 120.400 -0.186 0.000 2.402 236 D HA 0.024 4.665 4.640 0.001 0.000 0.235 236 D C 0.938 177.162 176.300 -0.126 0.000 1.226 236 D CA 0.053 53.965 54.000 -0.146 0.000 0.918 236 D CB 0.483 41.201 40.800 -0.137 0.000 1.043 236 D HN -0.028 nan 8.370 nan 0.000 0.506 237 E N 2.384 122.518 120.200 -0.111 0.000 2.472 237 E HA -0.099 4.252 4.350 0.001 0.000 0.200 237 E C 1.495 178.053 176.600 -0.069 0.000 1.046 237 E CA 0.328 56.674 56.400 -0.091 0.000 0.871 237 E CB 0.370 30.022 29.700 -0.079 0.000 0.806 237 E HN 0.468 nan 8.360 nan 0.000 0.533 238 R N 0.809 121.268 120.500 -0.069 0.000 2.100 238 R HA -0.044 4.297 4.340 0.001 0.000 0.220 238 R C 0.613 176.885 176.300 -0.046 0.000 1.091 238 R CA 0.607 56.675 56.100 -0.054 0.000 0.986 238 R CB 0.110 30.376 30.300 -0.056 0.000 0.888 238 R HN -0.026 nan 8.270 nan 0.000 0.444 239 D N 0.719 121.087 120.400 -0.053 0.000 2.422 239 D HA 0.012 4.653 4.640 0.001 0.000 0.227 239 D C 0.422 176.702 176.300 -0.034 0.000 1.190 239 D CA 0.207 54.184 54.000 -0.038 0.000 0.905 239 D CB 0.973 41.748 40.800 -0.041 0.000 1.034 239 D HN 0.041 nan 8.370 nan 0.000 0.507 240 Q N 2.415 122.204 119.800 -0.018 0.000 2.269 240 Q HA 0.134 4.474 4.340 0.001 0.000 0.201 240 Q C 0.583 176.585 176.000 0.003 0.000 0.946 240 Q CA 0.581 56.377 55.803 -0.011 0.000 0.877 240 Q CB 0.262 29.000 28.738 0.000 0.000 0.963 240 Q HN 0.657 nan 8.270 nan 0.000 0.472 241 I N -1.733 118.845 120.570 0.014 0.000 2.530 241 I HA 0.668 4.839 4.170 0.001 0.000 0.297 241 I C -0.517 175.613 176.117 0.021 0.000 1.011 241 I CA -0.889 60.425 61.300 0.023 0.000 1.107 241 I CB 2.098 40.124 38.000 0.043 0.000 1.285 241 I HN -0.140 nan 8.210 nan 0.000 0.436 242 S N 4.253 119.963 115.700 0.017 0.000 2.595 242 S HA 0.305 4.776 4.470 0.001 0.000 0.270 242 S C 0.061 174.647 174.600 -0.023 0.000 1.145 242 S CA -0.840 57.374 58.200 0.024 0.000 0.825 242 S CB 1.651 64.891 63.200 0.066 0.000 1.107 242 S HN 0.823 nan 8.310 nan 0.000 0.461 243 L N 1.717 122.914 121.223 -0.043 0.000 2.013 243 L HA -0.019 4.322 4.340 0.001 0.000 0.212 243 L C 2.300 178.982 176.870 -0.313 0.000 1.073 243 L CA 2.256 56.967 54.840 -0.214 0.000 0.753 243 L CB -0.808 41.193 42.059 -0.097 0.000 0.890 243 L HN 0.734 nan 8.230 nan 0.000 0.432 244 V N -0.591 119.328 119.914 0.008 0.000 2.358 244 V HA -0.265 3.855 4.120 0.001 0.000 0.246 244 V C 2.512 178.715 176.094 0.181 0.000 1.047 244 V CA 1.974 64.396 62.300 0.204 0.000 1.035 244 V CB -0.675 31.352 31.823 0.339 0.000 0.658 244 V HN 0.447 nan 8.190 nan 0.000 0.452 245 K N 0.359 120.832 120.400 0.121 0.000 2.209 245 K HA -0.133 4.187 4.320 0.001 0.000 0.204 245 K C 1.887 178.528 176.600 0.067 0.000 1.048 245 K CA 1.411 57.755 56.287 0.094 0.000 0.940 245 K CB -0.214 32.319 32.500 0.054 0.000 0.729 245 K HN 0.450 nan 8.250 nan 0.000 0.451 246 N N -0.054 118.657 118.700 0.018 0.000 2.333 246 N HA -0.088 4.653 4.740 0.001 0.000 0.178 246 N C 1.501 177.070 175.510 0.098 0.000 1.018 246 N CA 0.928 53.991 53.050 0.022 0.000 0.882 246 N CB -0.249 38.232 38.487 -0.011 0.000 0.984 246 N HN 0.156 nan 8.380 nan 0.000 0.434 247 Y N 1.457 121.811 120.300 0.089 0.000 2.165 247 Y HA -0.104 4.446 4.550 0.001 0.000 0.286 247 Y C 2.450 178.390 175.900 0.066 0.000 1.155 247 Y CA 0.337 58.481 58.100 0.073 0.000 1.164 247 Y CB -0.876 37.615 38.460 0.052 0.000 0.978 247 Y HN -0.181 nan 8.280 nan 0.000 0.513 248 V N -1.092 118.963 119.914 0.236 0.000 2.255 248 V HA -0.286 3.834 4.120 0.001 0.000 0.247 248 V C 2.275 178.441 176.094 0.120 0.000 1.051 248 V CA 1.884 64.278 62.300 0.155 0.000 1.018 248 V CB -0.976 30.926 31.823 0.132 0.000 0.641 248 V HN 0.221 nan 8.190 nan 0.000 0.445 249 V N -0.530 119.441 119.914 0.096 0.000 2.407 249 V HA -0.147 3.974 4.120 0.001 0.000 0.245 249 V C 2.437 178.578 176.094 0.078 0.000 1.041 249 V CA 2.089 64.425 62.300 0.061 0.000 1.040 249 V CB -0.308 31.516 31.823 0.001 0.000 0.671 249 V HN 0.533 nan 8.190 nan 0.000 0.455 250 S N -0.128 115.638 115.700 0.110 0.000 2.388 250 S HA -0.105 4.366 4.470 0.001 0.000 0.223 250 S C 1.536 176.308 174.600 0.287 0.000 1.034 250 S CA 1.072 59.371 58.200 0.165 0.000 0.963 250 S CB -0.197 63.127 63.200 0.207 0.000 0.827 250 S HN 0.565 nan 8.310 nan 0.000 0.481 251 D N 0.873 121.426 120.400 0.255 0.000 2.350 251 D HA 0.075 4.716 4.640 0.001 0.000 0.213 251 D C -0.012 176.375 176.300 0.144 0.000 1.031 251 D CA 0.190 54.297 54.000 0.178 0.000 0.861 251 D CB -0.120 40.695 40.800 0.025 0.000 0.926 251 D HN 0.440 nan 8.370 nan 0.000 0.520 252 E N 0.303 120.588 120.200 0.142 0.000 2.320 252 E HA -0.207 4.143 4.350 0.001 0.000 0.234 252 E C 0.241 176.887 176.600 0.077 0.000 1.183 252 E CA 0.177 56.642 56.400 0.107 0.000 0.713 252 E CB -2.142 27.627 29.700 0.114 0.000 1.226 252 E HN 0.533 nan 8.360 nan 0.000 0.382 253 I N -3.224 117.390 120.570 0.074 0.000 3.237 253 I HA 0.607 4.777 4.170 0.001 0.000 0.308 253 I C 0.719 176.882 176.117 0.077 0.000 1.093 253 I CA -0.999 60.335 61.300 0.056 0.000 1.001 253 I CB 1.743 39.757 38.000 0.024 0.000 1.245 253 I HN 0.020 nan 8.210 nan 0.000 0.485 254 S N 1.525 117.272 115.700 0.078 0.000 2.632 254 S HA 0.211 4.681 4.470 0.001 0.000 0.267 254 S C 0.776 175.458 174.600 0.137 0.000 1.276 254 S CA -0.617 57.647 58.200 0.106 0.000 0.998 254 S CB 1.507 64.774 63.200 0.112 0.000 0.953 254 S HN 0.766 nan 8.310 nan 0.000 0.547 255 L N 0.917 122.244 121.223 0.173 0.000 2.042 255 L HA -0.030 4.310 4.340 0.001 0.000 0.210 255 L C 2.306 179.296 176.870 0.201 0.000 1.076 255 L CA 2.199 57.170 54.840 0.219 0.000 0.749 255 L CB -1.439 40.786 42.059 0.276 0.000 0.893 255 L HN 1.003 nan 8.230 nan 0.000 0.432 256 H N -0.376 118.778 119.070 0.140 0.000 2.357 256 H HA -0.110 4.446 4.556 0.001 0.000 0.301 256 H C 2.139 177.511 175.328 0.073 0.000 1.082 256 H CA 2.075 58.195 56.048 0.120 0.000 1.342 256 H CB 0.185 30.009 29.762 0.103 0.000 1.389 256 H HN 0.486 nan 8.280 nan 0.000 0.511 257 E N -0.334 119.949 120.200 0.138 0.000 2.077 257 E HA -0.193 4.157 4.350 0.001 0.000 0.193 257 E C 2.331 178.907 176.600 -0.040 0.000 0.989 257 E CA 0.801 57.225 56.400 0.041 0.000 0.800 257 E CB -0.110 29.608 29.700 0.030 0.000 0.746 257 E HN 0.563 nan 8.360 nan 0.000 0.452 258 A N 1.369 124.187 122.820 -0.004 0.000 1.873 258 A HA -0.148 4.172 4.320 0.001 0.000 0.215 258 A C 2.182 179.728 177.584 -0.063 0.000 1.186 258 A CA 1.000 53.027 52.037 -0.017 0.000 0.616 258 A CB -0.554 18.548 19.000 0.170 0.000 0.823 258 A HN 0.234 nan 8.150 nan 0.000 0.442 259 L N 0.287 121.448 121.223 -0.103 0.000 2.079 259 L HA -0.158 4.182 4.340 0.001 0.000 0.210 259 L C 2.014 178.714 176.870 -0.285 0.000 1.081 259 L CA 2.410 57.066 54.840 -0.308 0.000 0.752 259 L CB -0.785 40.942 42.059 -0.553 0.000 0.896 259 L HN 0.537 nan 8.230 nan 0.000 0.433 260 E N -0.555 119.545 120.200 -0.168 0.000 2.077 260 E HA -0.271 4.079 4.350 0.001 0.000 0.193 260 E C 2.151 178.657 176.600 -0.156 0.000 0.989 260 E CA 1.336 57.693 56.400 -0.071 0.000 0.800 260 E CB -0.115 29.576 29.700 -0.016 0.000 0.746 260 E HN 0.479 nan 8.360 nan 0.000 0.452 261 K N 0.717 120.981 120.400 -0.227 0.000 2.032 261 K HA -0.210 4.111 4.320 0.001 0.000 0.209 261 K C 2.206 178.594 176.600 -0.354 0.000 1.048 261 K CA 1.090 57.176 56.287 -0.335 0.000 0.927 261 K CB -0.149 32.014 32.500 -0.563 0.000 0.712 261 K HN 0.028 nan 8.250 nan 0.000 0.441 262 L N 1.253 122.307 121.223 -0.281 0.000 2.012 262 L HA -0.201 4.140 4.340 0.001 0.000 0.210 262 L C 2.325 178.991 176.870 -0.339 0.000 1.073 262 L CA 2.675 57.342 54.840 -0.289 0.000 0.748 262 L CB -1.159 40.832 42.059 -0.112 0.000 0.891 262 L HN 0.498 nan 8.230 nan 0.000 0.431 263 T N -3.194 111.200 114.554 -0.268 0.000 2.708 263 T HA -0.249 4.101 4.350 0.001 0.000 0.266 263 T C 1.796 176.390 174.700 -0.175 0.000 1.037 263 T CA 1.542 63.513 62.100 -0.216 0.000 1.146 263 T CB -0.701 68.045 68.868 -0.204 0.000 0.865 263 T HN 0.551 nan 8.240 nan 0.000 0.435 264 Q N 1.001 120.698 119.800 -0.172 0.000 2.045 264 Q HA -0.163 4.177 4.340 0.001 0.000 0.206 264 Q C 2.376 178.267 176.000 -0.183 0.000 0.991 264 Q CA 1.825 57.542 55.803 -0.144 0.000 0.851 264 Q CB -0.336 28.316 28.738 -0.143 0.000 0.911 264 Q HN 0.564 nan 8.270 nan 0.000 0.418 265 D N -0.046 120.141 120.400 -0.355 0.000 2.104 265 D HA -0.126 4.514 4.640 0.001 0.000 0.194 265 D C 1.980 178.054 176.300 -0.378 0.000 0.994 265 D CA 1.672 55.335 54.000 -0.562 0.000 0.830 265 D CB -0.286 39.700 40.800 -1.356 0.000 0.959 265 D HN 0.237 nan 8.370 nan 0.000 0.452 266 T N 1.574 115.927 114.554 -0.334 0.000 2.652 266 T HA -0.127 4.223 4.350 0.001 0.000 0.267 266 T C 2.270 176.963 174.700 -0.012 0.000 1.039 266 T CA 0.765 62.812 62.100 -0.088 0.000 1.153 266 T CB -0.386 68.401 68.868 -0.134 0.000 0.863 266 T HN 0.131 nan 8.240 nan 0.000 0.428 267 L N -0.172 121.017 121.223 -0.058 0.000 2.093 267 L HA -0.090 4.250 4.340 0.001 0.000 0.208 267 L C 2.601 179.362 176.870 -0.182 0.000 1.085 267 L CA 1.423 56.192 54.840 -0.118 0.000 0.755 267 L CB -0.666 41.357 42.059 -0.059 0.000 0.904 267 L HN 0.481 nan 8.230 nan 0.000 0.435 268 H N -0.995 117.977 119.070 -0.163 0.000 2.387 268 H HA -0.182 4.374 4.556 0.001 0.000 0.299 268 H C 2.516 177.847 175.328 0.005 0.000 1.090 268 H CA 1.304 57.286 56.048 -0.110 0.000 1.332 268 H CB 0.447 30.174 29.762 -0.059 0.000 1.386 268 H HN 0.221 nan 8.280 nan 0.000 0.516 269 S N -0.464 115.292 115.700 0.094 0.000 2.402 269 S HA -0.110 4.360 4.470 0.001 0.000 0.229 269 S C 2.220 176.985 174.600 0.276 0.000 1.021 269 S CA 1.311 59.632 58.200 0.202 0.000 0.974 269 S CB -0.114 63.384 63.200 0.497 0.000 0.800 269 S HN 0.452 nan 8.310 nan 0.000 0.484 270 S N 1.174 117.050 115.700 0.293 0.000 2.371 270 S HA -0.016 4.454 4.470 0.001 0.000 0.224 270 S C 1.848 176.493 174.600 0.074 0.000 1.029 270 S CA 1.085 59.474 58.200 0.315 0.000 0.978 270 S CB -0.344 63.069 63.200 0.354 0.000 0.833 270 S HN 0.603 nan 8.310 nan 0.000 0.466 271 K N 0.965 121.297 120.400 -0.113 0.000 2.057 271 K HA -0.110 4.211 4.320 0.001 0.000 0.207 271 K C 2.035 178.657 176.600 0.037 0.000 1.049 271 K CA 1.111 57.356 56.287 -0.069 0.000 0.931 271 K CB -0.042 32.358 32.500 -0.166 0.000 0.714 271 K HN 0.176 nan 8.250 nan 0.000 0.440 272 Q N 0.062 119.865 119.800 0.005 0.000 2.230 272 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 272 Q C 1.932 177.958 176.000 0.044 0.000 0.963 272 Q CA 0.995 56.796 55.803 -0.003 0.000 0.866 272 Q CB -0.171 28.502 28.738 -0.108 0.000 0.931 272 Q HN 0.333 nan 8.270 nan 0.000 0.452 273 M N 0.037 119.681 119.600 0.073 0.000 2.086 273 M HA -0.116 4.364 4.480 0.001 0.000 0.261 273 M C 1.931 178.331 176.300 0.166 0.000 1.067 273 M CA 1.249 56.625 55.300 0.126 0.000 1.116 273 M CB -0.273 32.288 32.600 -0.065 0.000 1.348 273 M HN -0.043 nan 8.290 nan 0.000 0.407 274 V N 0.301 120.271 119.914 0.094 0.000 2.270 274 V HA -0.212 3.909 4.120 0.001 0.000 0.245 274 V C 2.565 178.716 176.094 0.095 0.000 1.043 274 V CA 1.825 64.187 62.300 0.104 0.000 1.014 274 V CB -1.691 30.203 31.823 0.120 0.000 0.645 274 V HN 0.624 nan 8.190 nan 0.000 0.447 275 A N -0.232 122.633 122.820 0.076 0.000 1.917 275 A HA -0.210 4.111 4.320 0.001 0.000 0.219 275 A C 2.379 179.956 177.584 -0.011 0.000 1.182 275 A CA 2.471 54.534 52.037 0.043 0.000 0.633 275 A CB -0.776 18.250 19.000 0.045 0.000 0.819 275 A HN 0.352 nan 8.150 nan 0.000 0.448 276 V N -2.102 117.780 119.914 -0.054 0.000 2.379 276 V HA -0.134 3.987 4.120 0.001 0.000 0.245 276 V C 2.070 177.943 176.094 -0.368 0.000 1.044 276 V CA 1.786 63.937 62.300 -0.249 0.000 1.036 276 V CB -0.723 30.855 31.823 -0.408 0.000 0.664 276 V HN 0.571 nan 8.190 nan 0.000 0.453 277 F N -0.584 119.348 119.950 -0.030 0.000 2.746 277 F HA 0.118 4.646 4.527 0.001 0.000 0.297 277 F C 2.440 178.231 175.800 -0.015 0.000 1.113 277 F CA 0.465 58.447 58.000 -0.031 0.000 1.367 277 F CB -0.303 38.670 39.000 -0.045 0.000 1.111 277 F HN -0.052 nan 8.300 nan 0.000 0.590 278 S N 0.058 115.835 115.700 0.128 0.000 2.400 278 S HA -0.190 4.280 4.470 0.001 0.000 0.232 278 S C 1.597 176.235 174.600 0.062 0.000 1.025 278 S CA 1.681 59.934 58.200 0.089 0.000 0.993 278 S CB -0.402 62.840 63.200 0.070 0.000 0.808 278 S HN 0.553 nan 8.310 nan 0.000 0.478 279 D N -0.223 120.197 120.400 0.033 0.000 2.342 279 D HA 0.156 4.796 4.640 0.001 0.000 0.221 279 D C 0.329 176.638 176.300 0.014 0.000 1.101 279 D CA 0.024 54.034 54.000 0.017 0.000 0.837 279 D CB 0.263 41.060 40.800 -0.004 0.000 0.938 279 D HN 0.116 nan 8.370 nan 0.000 0.508 280 K N 0.521 120.945 120.400 0.040 0.000 2.450 280 K HA 0.183 4.503 4.320 0.001 0.000 0.248 280 K C -0.022 176.622 176.600 0.073 0.000 1.056 280 K CA -0.839 55.475 56.287 0.044 0.000 0.974 280 K CB 0.390 32.923 32.500 0.056 0.000 1.334 280 K HN -0.173 nan 8.250 nan 0.000 0.516 281 D N 2.149 122.593 120.400 0.073 0.000 2.752 281 D HA -0.091 4.550 4.640 0.001 0.000 0.225 281 D C -1.390 174.974 176.300 0.107 0.000 1.104 281 D CA -0.579 53.470 54.000 0.082 0.000 0.832 281 D CB 0.769 41.624 40.800 0.092 0.000 1.161 281 D HN 0.165 nan 8.370 nan 0.000 0.505 282 P HA -0.207 nan 4.420 nan 0.000 0.215 282 P C 1.400 178.765 177.300 0.109 0.000 1.153 282 P CA 1.236 64.384 63.100 0.081 0.000 0.853 282 P CB 0.271 32.002 31.700 0.052 0.000 0.788 283 Q N -0.279 119.604 119.800 0.138 0.000 2.084 283 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 283 Q C 2.293 178.522 176.000 0.382 0.000 0.978 283 Q CA 1.365 57.292 55.803 0.207 0.000 0.844 283 Q CB -0.353 28.478 28.738 0.156 0.000 0.898 283 Q HN 0.024 nan 8.270 nan 0.000 0.426 284 V N 0.728 120.877 119.914 0.391 0.000 2.237 284 V HA -0.312 3.809 4.120 0.001 0.000 0.245 284 V C 2.312 178.530 176.094 0.206 0.000 1.046 284 V CA 1.962 64.479 62.300 0.362 0.000 1.007 284 V CB -0.584 31.310 31.823 0.119 0.000 0.638 284 V HN 0.509 nan 8.190 nan 0.000 0.445 285 M N 0.915 120.598 119.600 0.139 0.000 2.260 285 M HA -0.202 4.279 4.480 0.001 0.000 0.261 285 M C 1.574 177.875 176.300 0.001 0.000 1.066 285 M CA 2.178 57.515 55.300 0.062 0.000 1.082 285 M CB -0.864 31.799 32.600 0.105 0.000 1.388 285 M HN 0.445 nan 8.290 nan 0.000 0.419 286 D N -1.255 119.172 120.400 0.045 0.000 2.103 286 D HA -0.105 4.535 4.640 0.001 0.000 0.199 286 D C 1.619 177.888 176.300 -0.051 0.000 0.978 286 D CA 1.842 55.843 54.000 0.001 0.000 0.829 286 D CB -0.182 40.640 40.800 0.037 0.000 0.981 286 D HN 0.408 nan 8.370 nan 0.000 0.464 287 T N 0.141 114.692 114.554 -0.003 0.000 2.746 287 T HA -0.074 4.276 4.350 0.001 0.000 0.267 287 T C 2.042 176.575 174.700 -0.279 0.000 1.039 287 T CA 0.820 62.829 62.100 -0.151 0.000 1.142 287 T CB -0.214 68.499 68.868 -0.258 0.000 0.866 287 T HN 0.196 nan 8.240 nan 0.000 0.444 288 I N 0.534 120.959 120.570 -0.242 0.000 2.315 288 I HA -0.122 4.048 4.170 0.001 0.000 0.248 288 I C 2.666 178.579 176.117 -0.340 0.000 1.117 288 I CA 1.277 62.370 61.300 -0.345 0.000 1.404 288 I CB -0.264 37.476 38.000 -0.432 0.000 1.071 288 I HN 0.322 nan 8.210 nan 0.000 0.419 289 E N 0.156 120.180 120.200 -0.294 0.000 2.107 289 E HA -0.195 4.155 4.350 0.001 0.000 0.191 289 E C 2.384 178.674 176.600 -0.516 0.000 0.982 289 E CA 1.159 57.309 56.400 -0.417 0.000 0.809 289 E CB 0.089 29.613 29.700 -0.294 0.000 0.756 289 E HN 0.478 nan 8.360 nan 0.000 0.459 290 C N 0.195 119.318 119.300 -0.295 0.000 2.440 290 C HA -0.098 4.363 4.460 0.001 0.000 0.278 290 C C 2.334 177.228 174.990 -0.160 0.000 1.295 290 C CA 0.435 59.336 59.018 -0.194 0.000 1.738 290 C CB -1.088 26.564 27.740 -0.146 0.000 1.987 290 C HN 0.538 nan 8.230 nan 0.000 0.492 291 F N 1.336 121.077 119.950 -0.348 0.000 2.102 291 F HA -0.174 4.353 4.527 0.001 0.000 0.298 291 F C 2.331 178.024 175.800 -0.178 0.000 1.105 291 F CA 1.788 59.568 58.000 -0.367 0.000 1.239 291 F CB -0.433 38.201 39.000 -0.611 0.000 0.991 291 F HN 0.127 nan 8.300 nan 0.000 0.474 292 M N -0.800 118.629 119.600 -0.285 0.000 2.117 292 M HA -0.232 4.249 4.480 0.001 0.000 0.262 292 M C 2.222 178.639 176.300 0.194 0.000 1.065 292 M CA 2.034 57.167 55.300 -0.279 0.000 1.114 292 M CB -0.983 31.199 32.600 -0.697 0.000 1.361 292 M HN 0.301 nan 8.290 nan 0.000 0.408 293 H N -0.865 118.256 119.070 0.084 0.000 2.333 293 H HA -0.035 4.521 4.556 0.001 0.000 0.302 293 H C 2.328 177.809 175.328 0.255 0.000 1.075 293 H CA 0.691 56.899 56.048 0.266 0.000 1.348 293 H CB -0.288 29.584 29.762 0.184 0.000 1.393 293 H HN 0.460 nan 8.280 nan 0.000 0.509 294 G N 0.607 109.555 108.800 0.246 0.000 2.514 294 G HA2 -0.373 3.587 3.960 0.001 0.000 0.217 294 G HA3 -0.373 3.587 3.960 0.001 0.000 0.217 294 G C 1.453 176.507 174.900 0.257 0.000 1.198 294 G CA 1.169 46.405 45.100 0.226 0.000 0.780 294 G HN 0.374 nan 8.290 nan 0.000 0.565 295 Y N 1.094 121.327 120.300 -0.112 0.000 2.102 295 Y HA -0.197 4.353 4.550 0.001 0.000 0.280 295 Y C 3.065 179.160 175.900 0.324 0.000 1.178 295 Y CA 1.636 59.740 58.100 0.008 0.000 1.146 295 Y CB -0.484 37.804 38.460 -0.285 0.000 0.968 295 Y HN 0.052 nan 8.280 nan 0.000 0.504 296 V N -1.016 119.070 119.914 0.286 0.000 2.358 296 V HA -0.320 3.800 4.120 0.001 0.000 0.246 296 V C 2.218 178.350 176.094 0.064 0.000 1.047 296 V CA 2.373 64.716 62.300 0.073 0.000 1.035 296 V CB -1.139 30.639 31.823 -0.076 0.000 0.658 296 V HN 0.446 nan 8.190 nan 0.000 0.452 297 T N -1.059 113.628 114.554 0.222 0.000 2.720 297 T HA -0.275 4.076 4.350 0.001 0.000 0.268 297 T C 1.439 176.275 174.700 0.228 0.000 1.037 297 T CA 1.964 64.217 62.100 0.256 0.000 1.144 297 T CB -0.415 68.675 68.868 0.371 0.000 0.864 297 T HN 0.712 nan 8.240 nan 0.000 0.444 298 W N 2.082 123.423 121.300 0.069 0.000 2.355 298 W HA -0.155 4.505 4.660 0.001 0.000 0.309 298 W C 2.233 178.642 176.519 -0.184 0.000 1.206 298 W CA 1.134 58.431 57.345 -0.081 0.000 1.284 298 W CB -0.773 28.587 29.460 -0.168 0.000 1.145 298 W HN 0.389 nan 8.180 nan 0.000 0.502 299 H N -0.200 118.576 119.070 -0.491 0.000 2.421 299 H HA -0.131 4.425 4.556 0.001 0.000 0.298 299 H C 2.200 177.271 175.328 -0.429 0.000 1.087 299 H CA 2.028 57.553 56.048 -0.872 0.000 1.330 299 H CB -0.413 28.880 29.762 -0.782 0.000 1.388 299 H HN 0.250 nan 8.280 nan 0.000 0.526 300 L N -0.701 120.430 121.223 -0.152 0.000 2.240 300 L HA -0.108 4.232 4.340 0.001 0.000 0.211 300 L C 2.382 179.114 176.870 -0.231 0.000 1.106 300 L CA 0.527 55.259 54.840 -0.180 0.000 0.793 300 L CB 0.094 41.988 42.059 -0.275 0.000 0.927 300 L HN 0.267 nan 8.230 nan 0.000 0.446 301 C N -1.687 117.520 119.300 -0.155 0.000 2.611 301 C HA 0.060 4.521 4.460 0.001 0.000 0.282 301 C C 1.148 176.111 174.990 -0.046 0.000 1.321 301 C CA -0.724 58.242 59.018 -0.085 0.000 1.747 301 C CB -0.279 27.475 27.740 0.023 0.000 2.124 301 C HN 0.348 nan 8.230 nan 0.000 0.531 302 D N 1.163 121.486 120.400 -0.128 0.000 2.383 302 D HA 0.053 4.693 4.640 0.001 0.000 0.252 302 D C 0.905 177.177 176.300 -0.047 0.000 1.166 302 D CA 0.043 53.980 54.000 -0.106 0.000 0.879 302 D CB 0.609 41.234 40.800 -0.292 0.000 1.164 302 D HN 0.362 nan 8.370 nan 0.000 0.462 303 R N 2.916 123.401 120.500 -0.025 0.000 2.200 303 R HA -0.175 4.166 4.340 0.001 0.000 0.234 303 R C 2.183 178.429 176.300 -0.089 0.000 1.127 303 R CA 0.711 56.802 56.100 -0.015 0.000 0.989 303 R CB -0.059 30.238 30.300 -0.005 0.000 0.869 303 R HN 0.499 nan 8.270 nan 0.000 0.459 304 R N 0.688 121.059 120.500 -0.215 0.000 2.117 304 R HA -0.207 4.133 4.340 0.001 0.000 0.243 304 R C 1.007 176.980 176.300 -0.544 0.000 1.143 304 R CA 1.745 57.589 56.100 -0.427 0.000 0.968 304 R CB -0.218 29.697 30.300 -0.643 0.000 0.863 304 R HN 0.285 nan 8.270 nan 0.000 0.444 305 Y N 0.009 120.220 120.300 -0.148 0.000 2.511 305 Y HA 0.223 4.774 4.550 0.001 0.000 0.279 305 Y C 0.583 176.512 175.900 0.048 0.000 1.157 305 Y CA 0.324 58.381 58.100 -0.071 0.000 1.300 305 Y CB 0.181 38.586 38.460 -0.093 0.000 1.052 305 Y HN 0.036 nan 8.280 nan 0.000 0.529 306 R N -0.361 120.214 120.500 0.124 0.000 3.722 306 R HA -0.251 4.089 4.340 0.001 0.000 0.284 306 R C 0.717 177.227 176.300 0.349 0.000 1.165 306 R CA 0.642 56.856 56.100 0.190 0.000 0.779 306 R CB -2.235 28.122 30.300 0.094 0.000 1.179 306 R HN 0.432 nan 8.270 nan 0.000 0.491 307 L N -0.107 121.316 121.223 0.334 0.000 2.362 307 L HA -0.126 4.215 4.340 0.001 0.000 0.219 307 L C 2.435 179.556 176.870 0.419 0.000 1.134 307 L CA 1.582 56.626 54.840 0.339 0.000 0.807 307 L CB -0.318 41.986 42.059 0.409 0.000 0.927 307 L HN 0.437 nan 8.230 nan 0.000 0.447 308 S N -0.909 115.044 115.700 0.421 0.000 2.469 308 S HA -0.185 4.285 4.470 0.001 0.000 0.238 308 S C 1.597 176.340 174.600 0.237 0.000 0.998 308 S CA 0.921 59.338 58.200 0.362 0.000 0.957 308 S CB -0.176 63.202 63.200 0.296 0.000 0.764 308 S HN 0.499 nan 8.310 nan 0.000 0.514 309 E N 0.886 121.204 120.200 0.198 0.000 2.072 309 E HA 0.048 4.398 4.350 0.001 0.000 0.190 309 E C 1.868 178.476 176.600 0.013 0.000 0.982 309 E CA 1.257 57.735 56.400 0.130 0.000 0.803 309 E CB -0.225 29.624 29.700 0.248 0.000 0.755 309 E HN 0.603 nan 8.360 nan 0.000 0.453 310 I N 0.292 120.794 120.570 -0.114 0.000 2.546 310 I HA -0.227 3.943 4.170 0.001 0.000 0.255 310 I C 2.219 178.387 176.117 0.086 0.000 1.163 310 I CA 0.696 61.894 61.300 -0.171 0.000 1.457 310 I CB -0.156 37.640 38.000 -0.339 0.000 1.092 310 I HN 0.164 nan 8.210 nan 0.000 0.434 311 Y N 2.164 122.540 120.300 0.127 0.000 2.084 311 Y HA -0.260 4.291 4.550 0.001 0.000 0.279 311 Y C 2.374 178.262 175.900 -0.020 0.000 1.119 311 Y CA 1.707 59.866 58.100 0.099 0.000 1.101 311 Y CB -0.308 37.884 38.460 -0.446 0.000 0.989 311 Y HN -0.019 nan 8.280 nan 0.000 0.484 312 E N 0.655 120.847 120.200 -0.013 0.000 2.448 312 E HA -0.205 4.145 4.350 0.001 0.000 0.203 312 E C 1.791 178.328 176.600 -0.105 0.000 1.046 312 E CA 1.095 57.441 56.400 -0.089 0.000 0.871 312 E CB -0.223 29.512 29.700 0.058 0.000 0.790 312 E HN 0.514 nan 8.360 nan 0.000 0.545 313 K N -0.704 119.647 120.400 -0.081 0.000 2.334 313 K HA 0.018 4.339 4.320 0.001 0.000 0.195 313 K C 1.086 177.643 176.600 -0.072 0.000 1.045 313 K CA 0.960 57.213 56.287 -0.056 0.000 1.004 313 K CB 0.651 33.135 32.500 -0.027 0.000 0.837 313 K HN 0.157 nan 8.250 nan 0.000 0.510 314 V N -2.027 117.827 119.914 -0.099 0.000 3.346 314 V HA 0.232 4.352 4.120 0.001 0.000 0.309 314 V C 1.468 177.478 176.094 -0.139 0.000 1.457 314 V CA -0.252 62.003 62.300 -0.074 0.000 1.069 314 V CB 0.347 32.165 31.823 -0.009 0.000 0.944 314 V HN 0.100 nan 8.190 nan 0.000 0.449 315 K N 1.276 121.492 120.400 -0.306 0.000 2.160 315 K HA -0.104 4.216 4.320 0.001 0.000 0.206 315 K C 0.403 176.883 176.600 -0.199 0.000 1.047 315 K CA 1.628 57.658 56.287 -0.429 0.000 0.930 315 K CB 0.198 32.331 32.500 -0.612 0.000 0.720 315 K HN 0.592 nan 8.250 nan 0.000 0.450 316 E N 1.435 121.555 120.200 -0.133 0.000 2.173 316 E HA 0.200 4.551 4.350 0.001 0.000 0.249 316 E C -1.326 175.244 176.600 -0.050 0.000 0.923 316 E CA -0.079 56.276 56.400 -0.075 0.000 0.754 316 E CB 1.326 30.989 29.700 -0.060 0.000 1.177 316 E HN 0.255 nan 8.360 nan 0.000 0.430 317 E N 1.423 121.602 120.200 -0.036 0.000 2.478 317 E HA 0.121 4.471 4.350 0.001 0.000 0.293 317 E C -0.298 176.297 176.600 -0.008 0.000 1.011 317 E CA -0.188 56.201 56.400 -0.018 0.000 0.834 317 E CB 1.104 30.796 29.700 -0.014 0.000 1.226 317 E HN 0.073 nan 8.360 nan 0.000 0.419 318 K N 0.652 121.049 120.400 -0.005 0.000 2.426 318 K HA 0.061 4.381 4.320 0.001 0.000 0.193 318 K C 0.596 177.198 176.600 0.004 0.000 1.028 318 K CA 0.618 56.904 56.287 -0.001 0.000 1.047 318 K CB 0.053 32.551 32.500 -0.003 0.000 0.821 318 K HN 0.611 nan 8.250 nan 0.000 0.513 319 T N -0.689 113.870 114.554 0.009 0.000 2.906 319 T HA -0.063 4.287 4.350 0.001 0.000 0.320 319 T C 1.149 175.862 174.700 0.021 0.000 1.088 319 T CA -0.233 61.875 62.100 0.014 0.000 1.120 319 T CB 1.382 70.260 68.868 0.017 0.000 1.000 319 T HN 0.184 nan 8.240 nan 0.000 0.550 320 E N 1.059 121.272 120.200 0.021 0.000 2.007 320 E HA -0.215 4.135 4.350 0.001 0.000 0.194 320 E C 1.558 178.186 176.600 0.047 0.000 0.999 320 E CA 1.592 58.007 56.400 0.025 0.000 0.811 320 E CB -0.157 29.555 29.700 0.019 0.000 0.762 320 E HN 0.765 nan 8.360 nan 0.000 0.450 321 D N 0.468 120.903 120.400 0.058 0.000 2.133 321 D HA -0.243 4.397 4.640 0.001 0.000 0.192 321 D C 1.861 178.245 176.300 0.141 0.000 1.001 321 D CA 1.574 55.629 54.000 0.092 0.000 0.844 321 D CB -0.512 40.328 40.800 0.067 0.000 0.944 321 D HN 0.324 nan 8.370 nan 0.000 0.447 322 A N 0.979 123.865 122.820 0.110 0.000 1.873 322 A HA -0.290 4.030 4.320 0.001 0.000 0.218 322 A C 2.188 179.880 177.584 0.179 0.000 1.193 322 A CA 2.077 54.202 52.037 0.146 0.000 0.629 322 A CB -0.821 18.222 19.000 0.072 0.000 0.826 322 A HN 0.300 nan 8.150 nan 0.000 0.447 323 Q N -0.747 119.109 119.800 0.094 0.000 2.119 323 Q HA -0.137 4.204 4.340 0.001 0.000 0.201 323 Q C 2.147 178.173 176.000 0.042 0.000 0.972 323 Q CA 1.557 57.393 55.803 0.055 0.000 0.847 323 Q CB -0.166 28.581 28.738 0.016 0.000 0.903 323 Q HN 0.644 nan 8.270 nan 0.000 0.433 324 K N 0.060 120.491 120.400 0.052 0.000 2.057 324 K HA -0.147 4.173 4.320 0.001 0.000 0.206 324 K C 1.866 178.512 176.600 0.077 0.000 1.050 324 K CA 1.156 57.428 56.287 -0.025 0.000 0.935 324 K CB -0.173 32.348 32.500 0.035 0.000 0.715 324 K HN 0.110 nan 8.250 nan 0.000 0.439 325 F N 1.448 121.486 119.950 0.146 0.000 2.051 325 F HA -0.278 4.250 4.527 0.001 0.000 0.296 325 F C 2.073 178.065 175.800 0.319 0.000 1.122 325 F CA 1.363 59.525 58.000 0.270 0.000 1.201 325 F CB -0.699 38.417 39.000 0.192 0.000 0.978 325 F HN -0.014 nan 8.300 nan 0.000 0.472 326 C N 1.216 120.501 119.300 -0.025 0.000 2.413 326 C HA -0.181 4.280 4.460 0.001 0.000 0.277 326 C C 2.776 177.799 174.990 0.054 0.000 1.265 326 C CA 1.416 60.448 59.018 0.022 0.000 1.752 326 C CB -1.403 26.433 27.740 0.159 0.000 1.998 326 C HN 0.580 nan 8.230 nan 0.000 0.489 327 K N 0.041 120.438 120.400 -0.006 0.000 2.057 327 K HA -0.151 4.169 4.320 0.001 0.000 0.207 327 K C 1.789 178.382 176.600 -0.012 0.000 1.049 327 K CA 1.651 57.903 56.287 -0.058 0.000 0.931 327 K CB -0.293 32.100 32.500 -0.180 0.000 0.714 327 K HN 0.368 nan 8.250 nan 0.000 0.440 328 F N 0.099 120.061 119.950 0.020 0.000 2.146 328 F HA -0.146 4.381 4.527 0.001 0.000 0.298 328 F C 2.330 178.149 175.800 0.032 0.000 1.096 328 F CA 0.961 59.010 58.000 0.082 0.000 1.275 328 F CB -0.995 38.035 39.000 0.050 0.000 1.008 328 F HN 0.115 nan 8.300 nan 0.000 0.480 329 Y N 1.449 121.673 120.300 -0.127 0.000 2.049 329 Y HA -0.257 4.294 4.550 0.001 0.000 0.277 329 Y C 2.319 178.118 175.900 -0.169 0.000 1.143 329 Y CA 2.086 60.026 58.100 -0.267 0.000 1.115 329 Y CB -0.882 37.225 38.460 -0.588 0.000 0.975 329 Y HN 0.160 nan 8.280 nan 0.000 0.487 330 E N -0.199 120.133 120.200 0.221 0.000 2.187 330 E HA -0.347 4.004 4.350 0.001 0.000 0.199 330 E C 2.219 178.864 176.600 0.074 0.000 1.004 330 E CA 1.454 57.928 56.400 0.124 0.000 0.813 330 E CB -0.274 29.482 29.700 0.094 0.000 0.736 330 E HN 0.638 nan 8.360 nan 0.000 0.468 331 Q N 0.390 120.245 119.800 0.091 0.000 2.050 331 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 331 Q C 2.198 178.226 176.000 0.047 0.000 0.980 331 Q CA 1.491 57.336 55.803 0.070 0.000 0.840 331 Q CB -0.117 28.706 28.738 0.141 0.000 0.898 331 Q HN 0.297 nan 8.270 nan 0.000 0.424 332 A N 0.776 123.648 122.820 0.087 0.000 1.858 332 A HA -0.153 4.168 4.320 0.001 0.000 0.216 332 A C 2.315 179.885 177.584 -0.024 0.000 1.190 332 A CA 1.807 53.877 52.037 0.054 0.000 0.617 332 A CB -1.236 17.763 19.000 -0.002 0.000 0.827 332 A HN 0.553 nan 8.150 nan 0.000 0.443 333 A N 0.529 123.299 122.820 -0.084 0.000 1.917 333 A HA -0.272 4.049 4.320 0.001 0.000 0.219 333 A C 1.847 179.432 177.584 0.003 0.000 1.182 333 A CA 1.989 54.005 52.037 -0.036 0.000 0.633 333 A CB -0.864 18.141 19.000 0.009 0.000 0.819 333 A HN 0.589 nan 8.150 nan 0.000 0.448 334 N N -0.081 118.620 118.700 0.001 0.000 2.184 334 N HA -0.162 4.578 4.740 0.001 0.000 0.190 334 N C 1.487 176.980 175.510 -0.028 0.000 1.011 334 N CA 2.156 55.203 53.050 -0.006 0.000 0.867 334 N CB -0.375 38.106 38.487 -0.009 0.000 0.993 334 N HN 0.581 nan 8.380 nan 0.000 0.433 335 V N -4.296 115.588 119.914 -0.049 0.000 3.635 335 V HA 0.440 4.560 4.120 0.001 0.000 0.266 335 V C 1.937 177.960 176.094 -0.117 0.000 1.316 335 V CA 0.786 63.020 62.300 -0.110 0.000 1.060 335 V CB 0.252 31.981 31.823 -0.158 0.000 0.820 335 V HN 0.141 nan 8.190 nan 0.000 0.447 336 G N 0.506 109.303 108.800 -0.005 0.000 2.559 336 G HA2 0.272 4.232 3.960 0.001 0.000 0.209 336 G HA3 0.272 4.232 3.960 0.001 0.000 0.209 336 G C 1.043 176.059 174.900 0.194 0.000 1.151 336 G CA 0.497 45.703 45.100 0.175 0.000 0.824 336 G HN 0.716 nan 8.290 nan 0.000 0.543 337 A N 0.995 123.875 122.820 0.099 0.000 2.729 337 A HA 0.480 4.800 4.320 0.001 0.000 0.291 337 A C -0.388 177.269 177.584 0.123 0.000 1.574 337 A CA 0.199 52.296 52.037 0.101 0.000 1.194 337 A CB -0.625 18.417 19.000 0.070 0.000 1.047 337 A HN 0.218 nan 8.150 nan 0.000 0.578 338 V N 2.522 122.543 119.914 0.180 0.000 2.448 338 V HA 0.339 4.460 4.120 0.001 0.000 0.295 338 V C 0.710 176.979 176.094 0.292 0.000 1.025 338 V CA -0.579 61.852 62.300 0.220 0.000 0.859 338 V CB 1.739 33.703 31.823 0.234 0.000 0.988 338 V HN 0.797 nan 8.190 nan 0.000 0.431 339 S N 5.632 121.469 115.700 0.228 0.000 2.533 339 S HA 0.199 4.669 4.470 0.001 0.000 0.282 339 S C -1.324 173.386 174.600 0.184 0.000 1.304 339 S CA -0.752 57.550 58.200 0.170 0.000 1.063 339 S CB 1.108 64.365 63.200 0.094 0.000 0.881 339 S HN 0.607 nan 8.310 nan 0.000 0.493 340 P HA -0.113 nan 4.420 nan 0.000 0.218 340 P C 1.483 178.488 177.300 -0.492 0.000 1.148 340 P CA 1.291 64.130 63.100 -0.435 0.000 0.822 340 P CB -0.084 31.410 31.700 -0.343 0.000 0.784 341 S N -0.686 114.910 115.700 -0.174 0.000 2.500 341 S HA -0.152 4.319 4.470 0.001 0.000 0.239 341 S C 1.570 176.190 174.600 0.033 0.000 0.989 341 S CA 0.983 59.131 58.200 -0.087 0.000 0.951 341 S CB -0.998 62.158 63.200 -0.073 0.000 0.759 341 S HN 0.323 nan 8.310 nan 0.000 0.523 342 E N 0.012 120.281 120.200 0.116 0.000 2.478 342 E HA 0.050 4.400 4.350 0.001 0.000 0.194 342 E C 1.319 178.229 176.600 0.516 0.000 1.045 342 E CA 0.630 57.206 56.400 0.293 0.000 0.868 342 E CB 0.008 29.892 29.700 0.308 0.000 0.885 342 E HN 0.986 nan 8.360 nan 0.000 0.505 343 W N -1.869 119.575 121.300 0.240 0.000 2.948 343 W HA 0.386 5.046 4.660 0.001 0.000 0.171 343 W C 0.259 176.603 176.519 -0.292 0.000 0.925 343 W CA -0.004 57.378 57.345 0.061 0.000 1.263 343 W CB -0.075 29.446 29.460 0.101 0.000 0.657 343 W HN -0.097 nan 8.180 nan 0.000 0.809 344 A N 2.555 124.596 122.820 -1.298 0.000 3.091 344 A HA 0.480 4.800 4.320 0.001 0.000 0.264 344 A C -0.960 176.009 177.584 -1.024 0.000 1.673 344 A CA 0.256 51.228 52.037 -1.775 0.000 1.362 344 A CB -1.811 16.043 19.000 -1.911 0.000 1.137 344 A HN 0.423 nan 8.150 nan 0.000 0.617 345 Y N -1.360 118.643 120.300 -0.495 0.000 2.581 345 Y HA 0.774 5.325 4.550 0.000 0.000 0.337 345 Y C -3.196 172.840 175.900 0.227 0.000 1.108 345 Y CA -3.089 54.967 58.100 -0.073 0.000 1.033 345 Y CB 0.602 39.016 38.460 -0.076 0.000 1.318 345 Y HN 0.158 nan 8.280 nan 0.000 0.459 346 P HA 0.335 nan 4.420 nan 0.000 0.289 346 P C -2.760 174.663 177.300 0.204 0.000 1.299 346 P CA -1.581 61.672 63.100 0.255 0.000 0.766 346 P CB 0.612 32.413 31.700 0.168 0.000 1.226 347 P HA 0.040 nan 4.420 nan 0.000 0.274 347 P C 1.242 178.583 177.300 0.068 0.000 1.231 347 P CA -0.176 62.994 63.100 0.116 0.000 0.790 347 P CB 0.712 32.440 31.700 0.046 0.000 0.951 348 V N 2.339 122.287 119.914 0.056 0.000 2.282 348 V HA -0.330 3.790 4.120 0.001 0.000 0.249 348 V C 2.686 178.764 176.094 -0.028 0.000 1.057 348 V CA 3.004 65.288 62.300 -0.027 0.000 1.032 348 V CB -1.825 29.979 31.823 -0.031 0.000 0.645 348 V HN 0.697 nan 8.190 nan 0.000 0.447 349 A N -0.708 122.105 122.820 -0.011 0.000 1.903 349 A HA -0.391 3.930 4.320 0.001 0.000 0.219 349 A C 2.283 179.858 177.584 -0.016 0.000 1.191 349 A CA 2.607 54.636 52.037 -0.013 0.000 0.638 349 A CB -0.695 18.300 19.000 -0.009 0.000 0.823 349 A HN 0.647 nan 8.150 nan 0.000 0.451 350 Q N -0.466 119.329 119.800 -0.010 0.000 2.061 350 Q HA -0.159 4.182 4.340 0.001 0.000 0.204 350 Q C 2.021 178.005 176.000 -0.026 0.000 0.984 350 Q CA 1.763 57.560 55.803 -0.009 0.000 0.846 350 Q CB -0.265 28.477 28.738 0.007 0.000 0.902 350 Q HN 0.702 nan 8.270 nan 0.000 0.421 351 L N 0.073 121.262 121.223 -0.057 0.000 2.131 351 L HA -0.141 4.200 4.340 0.001 0.000 0.210 351 L C 2.565 179.393 176.870 -0.068 0.000 1.092 351 L CA 0.847 55.626 54.840 -0.100 0.000 0.759 351 L CB -0.603 41.317 42.059 -0.232 0.000 0.903 351 L HN 0.302 nan 8.230 nan 0.000 0.435 352 A N 0.193 122.982 122.820 -0.053 0.000 1.898 352 A HA -0.249 4.071 4.320 0.001 0.000 0.216 352 A C 2.121 179.691 177.584 -0.022 0.000 1.181 352 A CA 1.992 54.008 52.037 -0.035 0.000 0.620 352 A CB -0.830 18.155 19.000 -0.025 0.000 0.819 352 A HN 0.529 nan 8.150 nan 0.000 0.442 353 N N -0.304 118.386 118.700 -0.018 0.000 2.084 353 N HA -0.093 4.647 4.740 0.001 0.000 0.190 353 N C 0.695 176.200 175.510 -0.008 0.000 1.030 353 N CA 0.979 54.023 53.050 -0.011 0.000 0.849 353 N CB -0.181 38.301 38.487 -0.008 0.000 1.012 353 N HN 0.262 nan 8.380 nan 0.000 0.423 354 V N 0.000 119.909 119.914 -0.008 0.000 2.409 354 V HA 0.000 4.120 4.120 0.001 0.000 0.244 354 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 354 V CB 0.000 31.824 31.823 0.001 0.000 1.184 354 V HN 0.000 nan 8.190 nan 0.000 0.556