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 3ndm_1_A DATA FIRST_RESID 5 DATA SEQUENCE MSFETRFEKM DNLLRDPKSE VNSDCLLDGL DALVYDLDFP ALRKNKNIDN DATA SEQUENCE FLSRYKDTIN KIRDLRMKAE DYEVVKVIGR GAFGEVQLVR HKSTRKVYAM DATA SEQUENCE KLLSKFEMIK RSDSAFFWEE RDIMAFANSP WVVQLFYAFQ DDRYLYMVME DATA SEQUENCE YMPGGDLVNL MSNXXXXEKW ARFYTAEVVL ALDAIHSMGF IHRDVKPDNM DATA SEQUENCE LLDKSGHLKL ADFGTCMKMN KEGMVRCDTA VGTPDYISPE VLKSQXXXXY DATA SEQUENCE YGRECDWWSV GVFLYEMLVG DTPFYADSLV GTYSKIMNHK NSLTFPXXXD DATA SEQUENCE ISKEAKNLIC AFLTDREVRL GRNGVEEIKR HLFFKNDQWA WETLRDTVAP DATA SEQUENCE VVPDLSSDID TSNFDDLEXX XXEEETFPIP KAFVGNQLPF VGFTYYSN 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.337 176.300 0.061 0.000 1.140 5 M CA 0.000 55.330 55.300 0.050 0.000 0.988 5 M CB 0.000 32.621 32.600 0.035 0.000 1.302 6 S N -0.752 114.999 115.700 0.085 0.000 2.608 6 S HA 0.455 4.926 4.470 0.001 0.000 0.285 6 S C -0.066 174.632 174.600 0.164 0.000 1.108 6 S CA -0.543 57.722 58.200 0.108 0.000 0.858 6 S CB 0.869 64.115 63.200 0.077 0.000 1.077 6 S HN 0.273 nan 8.310 nan 0.000 0.450 7 F N 3.974 123.936 119.950 0.020 0.000 2.032 7 F HA -0.169 4.359 4.527 0.001 0.000 0.297 7 F C 2.475 178.277 175.800 0.004 0.000 1.125 7 F CA 2.902 60.901 58.000 -0.002 0.000 1.202 7 F CB -0.436 38.514 39.000 -0.082 0.000 0.958 7 F HN 0.829 nan 8.300 nan 0.000 0.491 8 E N -0.683 119.433 120.200 -0.139 0.000 2.209 8 E HA -0.161 4.190 4.350 0.001 0.000 0.196 8 E C 2.008 178.571 176.600 -0.062 0.000 0.993 8 E CA 1.559 57.833 56.400 -0.209 0.000 0.819 8 E CB -1.525 28.125 29.700 -0.084 0.000 0.745 8 E HN 0.435 nan 8.360 nan 0.000 0.477 9 T N 2.294 116.855 114.554 0.011 0.000 2.559 9 T HA -0.129 4.221 4.350 0.001 0.000 0.251 9 T C 1.879 176.614 174.700 0.058 0.000 1.122 9 T CA 1.822 63.945 62.100 0.038 0.000 1.231 9 T CB -0.291 68.608 68.868 0.050 0.000 0.881 9 T HN 0.284 nan 8.240 nan 0.000 0.397 10 R N 0.770 121.323 120.500 0.088 0.000 2.159 10 R HA -0.174 4.166 4.340 0.001 0.000 0.252 10 R C 2.173 178.512 176.300 0.064 0.000 1.144 10 R CA 1.937 58.085 56.100 0.079 0.000 0.961 10 R CB -1.189 29.179 30.300 0.113 0.000 0.877 10 R HN 0.245 nan 8.270 nan 0.000 0.444 11 F N 1.680 121.565 119.950 -0.109 0.000 2.287 11 F HA -0.180 4.348 4.527 0.001 0.000 0.301 11 F C 2.128 177.864 175.800 -0.106 0.000 1.069 11 F CA 1.591 59.501 58.000 -0.149 0.000 1.372 11 F CB -0.100 38.706 39.000 -0.323 0.000 1.056 11 F HN 0.164 nan 8.300 nan 0.000 0.523 12 E N -0.507 119.730 120.200 0.062 0.000 2.021 12 E HA -0.146 4.204 4.350 0.001 0.000 0.189 12 E C 2.131 178.725 176.600 -0.009 0.000 0.980 12 E CA 0.562 56.973 56.400 0.017 0.000 0.803 12 E CB -0.193 29.516 29.700 0.014 0.000 0.766 12 E HN 0.093 nan 8.360 nan 0.000 0.449 13 K N 0.466 120.862 120.400 -0.006 0.000 2.242 13 K HA -0.217 4.103 4.320 0.001 0.000 0.206 13 K C 2.007 178.584 176.600 -0.040 0.000 1.045 13 K CA 1.132 57.410 56.287 -0.015 0.000 0.930 13 K CB -0.195 32.302 32.500 -0.005 0.000 0.726 13 K HN 0.131 nan 8.250 nan 0.000 0.462 14 M N 1.265 120.819 119.600 -0.077 0.000 2.102 14 M HA -0.107 4.374 4.480 0.001 0.000 0.259 14 M C 1.348 177.593 176.300 -0.091 0.000 1.083 14 M CA 1.675 56.903 55.300 -0.120 0.000 1.141 14 M CB -0.237 32.208 32.600 -0.258 0.000 1.318 14 M HN 0.022 nan 8.290 nan 0.000 0.421 15 D N 0.592 120.939 120.400 -0.088 0.000 2.157 15 D HA -0.249 4.391 4.640 0.001 0.000 0.191 15 D C 1.439 177.722 176.300 -0.027 0.000 1.004 15 D CA 1.835 55.803 54.000 -0.052 0.000 0.854 15 D CB -0.844 39.937 40.800 -0.032 0.000 0.936 15 D HN 0.495 nan 8.370 nan 0.000 0.446 16 N N 1.379 120.066 118.700 -0.023 0.000 2.011 16 N HA -0.186 4.555 4.740 0.001 0.000 0.199 16 N C 2.074 177.580 175.510 -0.007 0.000 1.047 16 N CA 0.859 53.902 53.050 -0.012 0.000 0.863 16 N CB -0.976 37.504 38.487 -0.012 0.000 1.056 16 N HN 0.188 nan 8.380 nan 0.000 0.427 17 L N 0.159 121.374 121.223 -0.014 0.000 2.263 17 L HA -0.093 4.247 4.340 0.001 0.000 0.216 17 L C 2.007 178.880 176.870 0.006 0.000 1.111 17 L CA 1.000 55.837 54.840 -0.005 0.000 0.773 17 L CB -0.614 41.436 42.059 -0.016 0.000 0.906 17 L HN 0.125 nan 8.230 nan 0.000 0.439 18 L N -1.991 119.232 121.223 -0.002 0.000 2.567 18 L HA 0.075 4.416 4.340 0.001 0.000 0.225 18 L C 2.165 179.051 176.870 0.027 0.000 1.119 18 L CA 0.702 55.548 54.840 0.010 0.000 0.871 18 L CB -0.126 41.928 42.059 -0.008 0.000 1.036 18 L HN 0.109 nan 8.230 nan 0.000 0.459 19 R N -1.491 119.024 120.500 0.025 0.000 2.276 19 R HA 0.116 4.457 4.340 0.001 0.000 0.195 19 R C 0.151 176.478 176.300 0.043 0.000 0.908 19 R CA -0.086 56.033 56.100 0.033 0.000 1.083 19 R CB 0.172 30.484 30.300 0.019 0.000 1.182 19 R HN 0.103 nan 8.270 nan 0.000 0.608 20 D N 2.977 123.396 120.400 0.033 0.000 2.346 20 D HA 0.048 4.689 4.640 0.001 0.000 0.260 20 D C -1.808 174.533 176.300 0.068 0.000 1.252 20 D CA -1.869 52.147 54.000 0.027 0.000 0.895 20 D CB 1.388 42.189 40.800 0.002 0.000 1.097 20 D HN -0.140 nan 8.370 nan 0.000 0.489 21 P HA -0.126 nan 4.420 nan 0.000 0.221 21 P C 0.740 178.198 177.300 0.263 0.000 1.145 21 P CA 1.017 64.272 63.100 0.258 0.000 0.795 21 P CB 0.179 32.151 31.700 0.454 0.000 0.775 22 K N -0.870 119.579 120.400 0.082 0.000 2.439 22 K HA 0.035 4.355 4.320 0.001 0.000 0.197 22 K C 0.979 177.651 176.600 0.121 0.000 1.041 22 K CA 0.257 56.619 56.287 0.124 0.000 0.970 22 K CB -0.189 32.293 32.500 -0.031 0.000 0.773 22 K HN 0.077 nan 8.250 nan 0.000 0.479 23 S N 1.152 116.908 115.700 0.094 0.000 2.565 23 S HA 0.017 4.487 4.470 0.001 0.000 0.276 23 S C 0.905 175.555 174.600 0.084 0.000 1.326 23 S CA -0.451 57.789 58.200 0.066 0.000 1.045 23 S CB 0.766 63.994 63.200 0.047 0.000 0.918 23 S HN 0.159 nan 8.310 nan 0.000 0.505 24 E N 2.295 122.523 120.200 0.046 0.000 2.427 24 E HA -0.038 4.313 4.350 0.001 0.000 0.196 24 E C 1.124 177.760 176.600 0.060 0.000 1.028 24 E CA 0.635 57.060 56.400 0.041 0.000 0.864 24 E CB -0.058 29.627 29.700 -0.024 0.000 0.813 24 E HN 0.533 nan 8.360 nan 0.000 0.514 25 V N 0.312 120.257 119.914 0.052 0.000 3.006 25 V HA 0.126 4.247 4.120 0.001 0.000 0.357 25 V C -0.076 176.051 176.094 0.055 0.000 1.377 25 V CA -0.724 61.604 62.300 0.046 0.000 1.198 25 V CB -0.941 30.894 31.823 0.020 0.000 1.216 25 V HN 0.053 nan 8.190 nan 0.000 0.520 26 N N 0.216 118.963 118.700 0.080 0.000 2.326 26 N HA 0.152 4.893 4.740 0.001 0.000 0.239 26 N C 1.086 176.643 175.510 0.079 0.000 1.301 26 N CA 0.695 53.794 53.050 0.082 0.000 0.909 26 N CB 0.566 39.122 38.487 0.114 0.000 1.156 26 N HN 0.093 nan 8.380 nan 0.000 0.462 27 S N -0.353 115.392 115.700 0.074 0.000 2.380 27 S HA -0.232 4.239 4.470 0.001 0.000 0.229 27 S C 0.898 175.550 174.600 0.087 0.000 1.050 27 S CA 1.742 59.987 58.200 0.074 0.000 1.100 27 S CB -0.637 62.610 63.200 0.079 0.000 0.984 27 S HN 0.710 nan 8.310 nan 0.000 0.434 28 D N 0.242 120.697 120.400 0.093 0.000 2.310 28 D HA -0.014 4.627 4.640 0.001 0.000 0.212 28 D C 1.836 178.181 176.300 0.075 0.000 0.965 28 D CA 0.724 54.764 54.000 0.067 0.000 0.879 28 D CB -0.230 40.551 40.800 -0.032 0.000 0.921 28 D HN 0.438 nan 8.370 nan 0.000 0.510 29 C N 0.564 119.926 119.300 0.103 0.000 2.522 29 C HA 0.028 4.489 4.460 0.001 0.000 0.280 29 C C 2.874 177.930 174.990 0.110 0.000 1.303 29 C CA -0.269 58.827 59.018 0.130 0.000 1.709 29 C CB -0.970 26.854 27.740 0.141 0.000 2.071 29 C HN 0.315 nan 8.230 nan 0.000 0.492 30 L N 0.833 122.107 121.223 0.085 0.000 1.991 30 L HA -0.275 4.066 4.340 0.001 0.000 0.221 30 L C 2.577 179.488 176.870 0.068 0.000 1.079 30 L CA 1.723 56.602 54.840 0.065 0.000 0.778 30 L CB -0.861 41.230 42.059 0.053 0.000 0.893 30 L HN 0.348 nan 8.230 nan 0.000 0.437 31 L N -0.556 120.713 121.223 0.078 0.000 2.081 31 L HA -0.280 4.061 4.340 0.001 0.000 0.212 31 L C 2.327 179.256 176.870 0.098 0.000 1.080 31 L CA 1.374 56.263 54.840 0.082 0.000 0.754 31 L CB -0.646 41.471 42.059 0.097 0.000 0.893 31 L HN 0.332 nan 8.230 nan 0.000 0.433 32 D N -0.461 120.012 120.400 0.122 0.000 2.178 32 D HA -0.144 4.496 4.640 0.001 0.000 0.201 32 D C 2.049 178.435 176.300 0.143 0.000 0.980 32 D CA 1.540 55.635 54.000 0.157 0.000 0.842 32 D CB -0.108 40.806 40.800 0.190 0.000 0.948 32 D HN 0.458 nan 8.370 nan 0.000 0.472 33 G N 1.112 109.977 108.800 0.108 0.000 2.396 33 G HA2 -0.143 3.818 3.960 0.001 0.000 0.214 33 G HA3 -0.143 3.818 3.960 0.001 0.000 0.214 33 G C 1.569 176.501 174.900 0.053 0.000 1.166 33 G CA -0.136 45.012 45.100 0.080 0.000 0.793 33 G HN 0.178 nan 8.290 nan 0.000 0.533 34 L N 1.057 122.302 121.223 0.037 0.000 2.083 34 L HA -0.069 4.272 4.340 0.001 0.000 0.209 34 L C 2.289 179.173 176.870 0.023 0.000 1.083 34 L CA 2.440 57.280 54.840 -0.000 0.000 0.752 34 L CB -0.610 41.425 42.059 -0.041 0.000 0.899 34 L HN 0.227 nan 8.230 nan 0.000 0.433 35 D N -0.365 120.072 120.400 0.062 0.000 2.097 35 D HA -0.136 4.505 4.640 0.001 0.000 0.197 35 D C 2.120 178.500 176.300 0.132 0.000 0.984 35 D CA 1.504 55.548 54.000 0.074 0.000 0.826 35 D CB 0.255 41.145 40.800 0.150 0.000 0.973 35 D HN 0.317 nan 8.370 nan 0.000 0.460 36 A N 0.436 123.372 122.820 0.194 0.000 1.877 36 A HA -0.112 4.209 4.320 0.001 0.000 0.216 36 A C 2.544 180.223 177.584 0.157 0.000 1.186 36 A CA 1.265 53.448 52.037 0.244 0.000 0.620 36 A CB -1.018 18.070 19.000 0.146 0.000 0.822 36 A HN 0.373 nan 8.150 nan 0.000 0.443 37 L N -0.354 120.907 121.223 0.062 0.000 1.997 37 L HA -0.242 4.099 4.340 0.001 0.000 0.216 37 L C 2.533 179.388 176.870 -0.025 0.000 1.074 37 L CA 1.669 56.495 54.840 -0.024 0.000 0.763 37 L CB -0.609 41.375 42.059 -0.125 0.000 0.890 37 L HN 0.277 nan 8.230 nan 0.000 0.434 38 V N -1.344 118.579 119.914 0.014 0.000 2.546 38 V HA -0.339 3.781 4.120 0.001 0.000 0.254 38 V C 2.065 178.072 176.094 -0.145 0.000 1.076 38 V CA 1.820 64.100 62.300 -0.032 0.000 1.087 38 V CB -0.812 30.964 31.823 -0.080 0.000 0.674 38 V HN 0.341 nan 8.190 nan 0.000 0.470 39 Y N 0.165 120.419 120.300 -0.076 0.000 2.153 39 Y HA -0.043 4.508 4.550 0.001 0.000 0.289 39 Y C 2.254 177.923 175.900 -0.384 0.000 1.119 39 Y CA 1.249 59.260 58.100 -0.149 0.000 1.116 39 Y CB -0.280 38.146 38.460 -0.055 0.000 1.004 39 Y HN 0.239 nan 8.280 nan 0.000 0.501 40 D N -0.059 120.299 120.400 -0.069 0.000 2.332 40 D HA 0.031 4.672 4.640 0.001 0.000 0.244 40 D C 1.162 177.350 176.300 -0.186 0.000 1.136 40 D CA 0.715 54.616 54.000 -0.164 0.000 0.884 40 D CB 0.143 40.986 40.800 0.072 0.000 0.906 40 D HN 0.387 nan 8.370 nan 0.000 0.520 41 L N -0.671 120.355 121.223 -0.327 0.000 2.854 41 L HA 0.074 4.414 4.340 0.001 0.000 0.249 41 L C 1.648 178.359 176.870 -0.265 0.000 1.091 41 L CA -0.034 54.666 54.840 -0.233 0.000 0.935 41 L CB 0.688 42.631 42.059 -0.193 0.000 1.367 41 L HN -0.224 nan 8.230 nan 0.000 0.524 42 D N 1.167 121.346 120.400 -0.369 0.000 2.392 42 D HA -0.080 4.561 4.640 0.001 0.000 0.228 42 D C 0.303 176.583 176.300 -0.033 0.000 1.003 42 D CA 0.356 54.249 54.000 -0.179 0.000 0.917 42 D CB 0.015 40.733 40.800 -0.136 0.000 0.890 42 D HN 0.139 nan 8.370 nan 0.000 0.532 43 F N 1.273 121.256 119.950 0.055 0.000 2.462 43 F HA 0.126 4.654 4.527 0.001 0.000 0.360 43 F C -0.815 175.006 175.800 0.035 0.000 1.134 43 F CA -2.148 55.878 58.000 0.043 0.000 1.148 43 F CB 0.801 39.822 39.000 0.034 0.000 1.147 43 F HN -0.090 nan 8.300 nan 0.000 0.550 44 P HA -0.425 nan 4.420 nan 0.000 0.230 44 P C 1.526 178.889 177.300 0.105 0.000 1.150 44 P CA 2.452 65.625 63.100 0.122 0.000 0.933 44 P CB -0.008 31.752 31.700 0.100 0.000 0.785 45 A N -1.028 121.866 122.820 0.123 0.000 1.997 45 A HA -0.183 4.137 4.320 0.001 0.000 0.221 45 A C 2.421 180.056 177.584 0.086 0.000 1.172 45 A CA 1.850 53.943 52.037 0.092 0.000 0.645 45 A CB -1.365 17.691 19.000 0.092 0.000 0.813 45 A HN 0.237 nan 8.150 nan 0.000 0.454 46 L N -2.436 118.849 121.223 0.105 0.000 2.316 46 L HA 0.075 4.415 4.340 0.001 0.000 0.207 46 L C 2.358 179.250 176.870 0.037 0.000 1.070 46 L CA 0.256 55.136 54.840 0.067 0.000 0.820 46 L CB -0.282 41.819 42.059 0.070 0.000 0.992 46 L HN 0.226 nan 8.230 nan 0.000 0.466 47 R N 0.807 121.335 120.500 0.047 0.000 2.417 47 R HA -0.172 4.169 4.340 0.001 0.000 0.220 47 R C 1.406 177.725 176.300 0.030 0.000 1.128 47 R CA 0.821 56.943 56.100 0.037 0.000 1.048 47 R CB -0.241 30.087 30.300 0.047 0.000 0.835 47 R HN 0.310 nan 8.270 nan 0.000 0.483 48 K N 0.270 120.688 120.400 0.030 0.000 2.487 48 K HA -0.004 4.317 4.320 0.001 0.000 0.192 48 K C 0.367 176.975 176.600 0.013 0.000 1.027 48 K CA 0.033 56.334 56.287 0.023 0.000 1.054 48 K CB 0.061 32.575 32.500 0.024 0.000 0.824 48 K HN 0.074 nan 8.250 nan 0.000 0.510 49 N N 1.609 120.313 118.700 0.007 0.000 2.422 49 N HA 0.026 4.767 4.740 0.001 0.000 0.266 49 N C 0.466 175.976 175.510 0.001 0.000 1.007 49 N CA -0.007 53.040 53.050 -0.005 0.000 0.941 49 N CB 0.889 39.361 38.487 -0.026 0.000 1.115 49 N HN -0.167 nan 8.380 nan 0.000 0.492 50 K N 3.279 123.680 120.400 0.003 0.000 2.032 50 K HA -0.211 4.110 4.320 0.001 0.000 0.218 50 K C 1.152 177.763 176.600 0.019 0.000 1.054 50 K CA 1.713 58.006 56.287 0.010 0.000 0.941 50 K CB -0.498 32.006 32.500 0.007 0.000 0.720 50 K HN 0.603 nan 8.250 nan 0.000 0.449 51 N N 1.021 119.726 118.700 0.008 0.000 2.069 51 N HA -0.113 4.627 4.740 0.001 0.000 0.191 51 N C 2.092 177.628 175.510 0.043 0.000 1.031 51 N CA 1.210 54.272 53.050 0.020 0.000 0.852 51 N CB -0.496 37.979 38.487 -0.019 0.000 1.018 51 N HN 0.270 nan 8.380 nan 0.000 0.423 52 I N 0.904 121.468 120.570 -0.010 0.000 2.286 52 I HA -0.221 3.950 4.170 0.001 0.000 0.248 52 I C 2.187 178.353 176.117 0.082 0.000 1.115 52 I CA 1.197 62.487 61.300 -0.017 0.000 1.392 52 I CB -0.325 37.626 38.000 -0.080 0.000 1.065 52 I HN 0.172 nan 8.210 nan 0.000 0.418 53 D N 1.452 121.889 120.400 0.062 0.000 2.077 53 D HA -0.184 4.457 4.640 0.001 0.000 0.196 53 D C 1.700 178.056 176.300 0.093 0.000 0.986 53 D CA 1.259 55.301 54.000 0.070 0.000 0.829 53 D CB -0.070 40.756 40.800 0.042 0.000 0.983 53 D HN 0.249 nan 8.370 nan 0.000 0.453 54 N N 0.273 119.022 118.700 0.081 0.000 2.242 54 N HA -0.210 4.531 4.740 0.001 0.000 0.191 54 N C 1.645 177.218 175.510 0.104 0.000 1.005 54 N CA 0.700 53.794 53.050 0.072 0.000 0.877 54 N CB -0.661 37.864 38.487 0.064 0.000 0.983 54 N HN 0.376 nan 8.380 nan 0.000 0.439 55 F N 1.341 121.300 119.950 0.016 0.000 2.094 55 F HA 0.077 4.604 4.527 0.001 0.000 0.291 55 F C 2.088 177.940 175.800 0.086 0.000 1.109 55 F CA 0.660 58.691 58.000 0.051 0.000 1.221 55 F CB -0.336 38.664 39.000 0.002 0.000 1.014 55 F HN -0.138 nan 8.300 nan 0.000 0.473 56 L N -0.104 121.279 121.223 0.268 0.000 2.187 56 L HA -0.227 4.114 4.340 0.001 0.000 0.213 56 L C 2.418 179.287 176.870 -0.003 0.000 1.100 56 L CA 1.086 55.998 54.840 0.120 0.000 0.765 56 L CB -1.146 40.998 42.059 0.140 0.000 0.904 56 L HN 0.150 nan 8.230 nan 0.000 0.437 57 S N 0.012 115.709 115.700 -0.005 0.000 2.359 57 S HA -0.269 4.202 4.470 0.001 0.000 0.223 57 S C 2.125 176.658 174.600 -0.112 0.000 1.039 57 S CA 1.747 59.922 58.200 -0.042 0.000 1.042 57 S CB -0.307 62.876 63.200 -0.028 0.000 0.915 57 S HN 0.361 nan 8.310 nan 0.000 0.439 58 R N -1.031 119.365 120.500 -0.173 0.000 2.189 58 R HA 0.019 4.359 4.340 0.001 0.000 0.218 58 R C 1.252 177.233 176.300 -0.531 0.000 1.074 58 R CA 1.173 57.077 56.100 -0.327 0.000 0.991 58 R CB 0.006 30.107 30.300 -0.332 0.000 0.883 58 R HN 0.487 nan 8.270 nan 0.000 0.457 59 Y N -1.672 118.436 120.300 -0.319 0.000 2.817 59 Y HA 0.123 4.674 4.550 0.001 0.000 0.257 59 Y C 1.700 177.502 175.900 -0.163 0.000 1.055 59 Y CA 0.236 58.175 58.100 -0.268 0.000 1.319 59 Y CB -0.338 37.888 38.460 -0.391 0.000 1.481 59 Y HN -0.174 nan 8.280 nan 0.000 0.471 60 K N 1.075 121.489 120.400 0.022 0.000 2.528 60 K HA -0.380 3.940 4.320 0.001 0.000 0.204 60 K C 1.171 177.762 176.600 -0.014 0.000 0.852 60 K CA 2.858 59.143 56.287 -0.002 0.000 0.955 60 K CB -0.916 31.580 32.500 -0.007 0.000 1.245 60 K HN 0.294 nan 8.250 nan 0.000 0.546 61 D N -1.056 119.326 120.400 -0.030 0.000 2.084 61 D HA -0.069 4.572 4.640 0.001 0.000 0.196 61 D C 1.803 178.088 176.300 -0.026 0.000 0.985 61 D CA 1.995 55.977 54.000 -0.030 0.000 0.826 61 D CB -0.580 40.197 40.800 -0.039 0.000 0.978 61 D HN 0.500 nan 8.370 nan 0.000 0.456 62 T N 1.456 115.987 114.554 -0.038 0.000 2.570 62 T HA -0.205 4.145 4.350 0.001 0.000 0.266 62 T C 1.938 176.653 174.700 0.024 0.000 1.071 62 T CA 0.837 62.926 62.100 -0.018 0.000 1.172 62 T CB -0.333 68.508 68.868 -0.046 0.000 0.864 62 T HN 0.067 nan 8.240 nan 0.000 0.421 63 I N 2.078 122.681 120.570 0.055 0.000 2.185 63 I HA -0.196 3.974 4.170 0.001 0.000 0.246 63 I C 2.298 178.417 176.117 0.004 0.000 1.088 63 I CA 1.387 62.708 61.300 0.036 0.000 1.347 63 I CB -1.300 36.707 38.000 0.012 0.000 1.041 63 I HN 0.258 nan 8.210 nan 0.000 0.415 64 N N 0.813 119.507 118.700 -0.010 0.000 2.137 64 N HA -0.192 4.549 4.740 0.001 0.000 0.190 64 N C 1.708 177.220 175.510 0.002 0.000 1.017 64 N CA 1.104 54.148 53.050 -0.011 0.000 0.859 64 N CB -0.099 38.380 38.487 -0.012 0.000 1.002 64 N HN 0.337 nan 8.380 nan 0.000 0.428 65 K N 0.844 121.244 120.400 0.002 0.000 2.076 65 K HA 0.108 4.429 4.320 0.001 0.000 0.204 65 K C 2.114 178.719 176.600 0.009 0.000 1.051 65 K CA 0.276 56.564 56.287 0.001 0.000 0.949 65 K CB -0.360 32.137 32.500 -0.005 0.000 0.726 65 K HN 0.272 nan 8.250 nan 0.000 0.443 66 I N 0.780 121.362 120.570 0.020 0.000 2.335 66 I HA -0.241 3.930 4.170 0.001 0.000 0.251 66 I C 2.144 178.287 176.117 0.043 0.000 1.129 66 I CA 1.092 62.412 61.300 0.034 0.000 1.402 66 I CB -0.229 37.801 38.000 0.051 0.000 1.069 66 I HN 0.139 nan 8.210 nan 0.000 0.424 67 R N 0.418 120.942 120.500 0.040 0.000 2.280 67 R HA -0.101 4.239 4.340 0.001 0.000 0.207 67 R C 1.289 177.614 176.300 0.042 0.000 1.043 67 R CA 0.742 56.877 56.100 0.058 0.000 1.006 67 R CB -0.031 30.302 30.300 0.055 0.000 0.885 67 R HN 0.369 nan 8.270 nan 0.000 0.467 68 D N -0.071 120.341 120.400 0.020 0.000 2.301 68 D HA 0.006 4.646 4.640 0.001 0.000 0.206 68 D C 1.800 178.086 176.300 -0.022 0.000 0.979 68 D CA 0.613 54.614 54.000 0.002 0.000 0.874 68 D CB 0.340 41.139 40.800 -0.001 0.000 0.968 68 D HN 0.172 nan 8.370 nan 0.000 0.510 69 L N 0.394 121.605 121.223 -0.021 0.000 2.084 69 L HA 0.061 4.402 4.340 0.001 0.000 0.202 69 L C 1.167 177.992 176.870 -0.075 0.000 1.074 69 L CA 0.470 55.279 54.840 -0.052 0.000 0.757 69 L CB -0.353 41.681 42.059 -0.041 0.000 0.918 69 L HN -0.170 nan 8.230 nan 0.000 0.444 70 R N 1.034 121.528 120.500 -0.009 0.000 2.740 70 R HA -0.073 4.268 4.340 0.001 0.000 0.263 70 R C 0.287 176.552 176.300 -0.057 0.000 0.997 70 R CA 0.043 56.173 56.100 0.051 0.000 1.108 70 R CB 0.159 30.559 30.300 0.167 0.000 0.969 70 R HN 0.193 nan 8.270 nan 0.000 0.431 71 M N 4.467 124.003 119.600 -0.106 0.000 2.842 71 M HA -0.030 4.451 4.480 0.001 0.000 0.314 71 M C -0.052 175.983 176.300 -0.442 0.000 1.646 71 M CA 0.609 55.682 55.300 -0.379 0.000 1.484 71 M CB -0.114 32.156 32.600 -0.550 0.000 1.727 71 M HN 0.314 nan 8.290 nan 0.000 0.468 72 K N 3.059 123.325 120.400 -0.223 0.000 2.118 72 K HA 0.484 4.805 4.320 0.001 0.000 0.264 72 K C 0.741 177.291 176.600 -0.084 0.000 1.000 72 K CA -0.220 56.016 56.287 -0.084 0.000 0.929 72 K CB 0.733 33.238 32.500 0.008 0.000 1.021 72 K HN 0.566 nan 8.250 nan 0.000 0.463 73 A N 1.929 124.748 122.820 -0.002 0.000 2.070 73 A HA -0.167 4.154 4.320 0.001 0.000 0.220 73 A C 1.833 179.495 177.584 0.130 0.000 1.159 73 A CA 1.272 53.313 52.037 0.005 0.000 0.656 73 A CB -0.632 18.222 19.000 -0.242 0.000 0.800 73 A HN 0.948 nan 8.150 nan 0.000 0.453 74 E N 0.270 120.524 120.200 0.090 0.000 2.118 74 E HA -0.209 4.142 4.350 0.001 0.000 0.195 74 E C 0.920 177.564 176.600 0.074 0.000 0.992 74 E CA 1.119 57.572 56.400 0.088 0.000 0.804 74 E CB -0.282 29.453 29.700 0.058 0.000 0.741 74 E HN 0.554 nan 8.360 nan 0.000 0.458 75 D N -0.361 120.049 120.400 0.016 0.000 2.393 75 D HA -0.138 4.503 4.640 0.001 0.000 0.220 75 D C -0.186 176.035 176.300 -0.132 0.000 0.974 75 D CA 1.208 55.155 54.000 -0.088 0.000 0.931 75 D CB -0.058 40.589 40.800 -0.255 0.000 0.889 75 D HN 0.198 nan 8.370 nan 0.000 0.512 76 Y N -0.076 120.260 120.300 0.059 0.000 2.468 76 Y HA 0.214 4.765 4.550 0.001 0.000 0.342 76 Y C 0.520 176.476 175.900 0.093 0.000 1.021 76 Y CA -1.072 57.091 58.100 0.105 0.000 1.079 76 Y CB 1.476 39.994 38.460 0.096 0.000 1.226 76 Y HN -0.301 nan 8.280 nan 0.000 0.460 77 E N 2.607 122.955 120.200 0.248 0.000 2.081 77 E HA 0.324 4.675 4.350 0.001 0.000 0.281 77 E C -1.189 175.499 176.600 0.146 0.000 0.986 77 E CA -0.578 55.913 56.400 0.153 0.000 0.796 77 E CB 1.218 30.980 29.700 0.103 0.000 1.085 77 E HN 0.547 nan 8.360 nan 0.000 0.398 78 V N 5.632 125.615 119.914 0.114 0.000 2.585 78 V HA 0.003 4.124 4.120 0.001 0.000 0.296 78 V C 0.414 176.538 176.094 0.050 0.000 1.035 78 V CA 0.216 62.565 62.300 0.081 0.000 1.084 78 V CB 1.240 33.104 31.823 0.069 0.000 0.953 78 V HN 0.743 nan 8.190 nan 0.000 0.483 79 V N 5.782 125.711 119.914 0.024 0.000 2.695 79 V HA 0.409 4.530 4.120 0.001 0.000 0.230 79 V C 0.586 176.680 176.094 0.001 0.000 1.110 79 V CA 0.679 62.983 62.300 0.006 0.000 1.159 79 V CB 0.064 31.872 31.823 -0.026 0.000 0.875 79 V HN 0.919 nan 8.190 nan 0.000 0.502 80 K N -1.002 119.387 120.400 -0.018 0.000 2.598 80 K HA 0.369 4.690 4.320 0.001 0.000 0.271 80 K C -1.378 175.202 176.600 -0.034 0.000 0.947 80 K CA -0.531 55.749 56.287 -0.011 0.000 0.854 80 K CB 2.350 34.855 32.500 0.009 0.000 1.401 80 K HN -0.072 nan 8.250 nan 0.000 0.415 81 V N 6.074 125.971 119.914 -0.028 0.000 2.070 81 V HA -0.014 4.107 4.120 0.001 0.000 0.239 81 V C 1.595 177.655 176.094 -0.057 0.000 1.472 81 V CA 0.432 62.702 62.300 -0.048 0.000 1.453 81 V CB -1.375 30.425 31.823 -0.039 0.000 1.503 81 V HN 0.709 nan 8.190 nan 0.000 0.501 82 I N 0.360 120.869 120.570 -0.101 0.000 2.850 82 I HA 0.182 4.353 4.170 0.001 0.000 0.266 82 I C 0.881 176.880 176.117 -0.197 0.000 1.257 82 I CA 1.079 62.278 61.300 -0.169 0.000 1.465 82 I CB -0.073 37.715 38.000 -0.352 0.000 1.091 82 I HN 0.493 nan 8.210 nan 0.000 0.467 83 G N 0.592 109.309 108.800 -0.138 0.000 2.684 83 G HA2 0.715 4.676 3.960 0.001 0.000 0.290 83 G HA3 0.715 4.676 3.960 0.001 0.000 0.290 83 G C -1.662 173.188 174.900 -0.083 0.000 1.425 83 G CA -1.007 44.027 45.100 -0.109 0.000 0.822 83 G HN 0.287 nan 8.290 nan 0.000 0.482 84 R N -0.893 119.564 120.500 -0.071 0.000 2.633 84 R HA 0.593 4.934 4.340 0.001 0.000 0.256 84 R C -0.399 175.854 176.300 -0.078 0.000 1.131 84 R CA 0.175 56.231 56.100 -0.074 0.000 0.994 84 R CB 1.441 31.707 30.300 -0.057 0.000 1.261 84 R HN 1.258 nan 8.270 nan 0.000 0.446 85 G N 0.678 109.424 108.800 -0.091 0.000 2.798 85 G HA2 0.556 4.517 3.960 0.001 0.000 0.286 85 G HA3 0.556 4.517 3.960 0.001 0.000 0.286 85 G C 0.176 174.995 174.900 -0.136 0.000 1.389 85 G CA -0.298 44.732 45.100 -0.116 0.000 0.894 85 G HN 0.671 nan 8.290 nan 0.000 0.488 86 A N -0.464 122.217 122.820 -0.231 0.000 1.883 86 A HA 0.064 4.385 4.320 0.001 0.000 0.217 86 A C 1.753 179.235 177.584 -0.169 0.000 1.186 86 A CA 1.660 53.520 52.037 -0.296 0.000 0.624 86 A CB -0.497 18.169 19.000 -0.558 0.000 0.822 86 A HN 0.476 nan 8.150 nan 0.000 0.444 87 F N -1.224 118.680 119.950 -0.077 0.000 2.797 87 F HA 0.381 4.909 4.527 0.001 0.000 0.302 87 F C 1.589 177.344 175.800 -0.074 0.000 1.130 87 F CA 0.175 58.147 58.000 -0.047 0.000 1.387 87 F CB 0.019 39.007 39.000 -0.019 0.000 1.107 87 F HN 0.417 nan 8.300 nan 0.000 0.577 88 G N -0.112 108.711 108.800 0.037 0.000 2.570 88 G HA2 0.387 4.348 3.960 0.001 0.000 0.072 88 G HA3 0.387 4.348 3.960 0.001 0.000 0.072 88 G C -1.137 173.691 174.900 -0.120 0.000 1.030 88 G CA -0.109 44.943 45.100 -0.081 0.000 1.277 88 G HN 0.198 nan 8.290 nan 0.000 0.559 89 E N -1.487 118.625 120.200 -0.147 0.000 2.412 89 E HA 0.422 4.773 4.350 0.001 0.000 0.283 89 E C -1.716 174.800 176.600 -0.141 0.000 1.160 89 E CA -1.019 55.300 56.400 -0.136 0.000 0.918 89 E CB 1.026 30.641 29.700 -0.141 0.000 1.194 89 E HN 0.729 nan 8.360 nan 0.000 0.428 90 V N 1.018 120.861 119.914 -0.118 0.000 2.612 90 V HA 0.504 4.625 4.120 0.001 0.000 0.301 90 V C -0.245 175.779 176.094 -0.116 0.000 1.046 90 V CA -0.504 61.729 62.300 -0.112 0.000 0.946 90 V CB 1.312 33.069 31.823 -0.111 0.000 1.003 90 V HN 0.633 nan 8.190 nan 0.000 0.459 91 Q N 2.173 121.911 119.800 -0.102 0.000 2.379 91 Q HA 0.581 4.922 4.340 0.001 0.000 0.278 91 Q C -1.528 174.405 176.000 -0.112 0.000 1.068 91 Q CA -0.911 54.833 55.803 -0.098 0.000 0.816 91 Q CB 2.984 31.680 28.738 -0.070 0.000 1.387 91 Q HN 0.598 nan 8.270 nan 0.000 0.413 92 L N 2.618 123.744 121.223 -0.162 0.000 2.334 92 L HA 0.729 5.069 4.340 0.001 0.000 0.277 92 L C -1.046 175.759 176.870 -0.108 0.000 1.075 92 L CA -0.234 54.450 54.840 -0.260 0.000 0.804 92 L CB 1.558 43.347 42.059 -0.450 0.000 1.174 92 L HN 0.560 nan 8.230 nan 0.000 0.438 93 V N 2.074 121.965 119.914 -0.038 0.000 3.167 93 V HA 0.583 4.703 4.120 0.001 0.000 0.293 93 V C -0.854 175.364 176.094 0.207 0.000 1.379 93 V CA -1.084 61.277 62.300 0.102 0.000 1.019 93 V CB 1.584 33.507 31.823 0.167 0.000 1.115 93 V HN 0.865 nan 8.190 nan 0.000 0.442 94 R N 1.197 121.826 120.500 0.216 0.000 2.295 94 R HA 0.409 4.750 4.340 0.001 0.000 0.324 94 R C -0.482 175.992 176.300 0.290 0.000 0.968 94 R CA -0.750 55.480 56.100 0.217 0.000 0.837 94 R CB 0.699 31.058 30.300 0.098 0.000 1.133 94 R HN 1.075 nan 8.270 nan 0.000 0.450 95 H N 4.746 123.927 119.070 0.186 0.000 3.286 95 H HA -0.041 4.516 4.556 0.001 0.000 0.245 95 H C 0.401 175.637 175.328 -0.153 0.000 0.932 95 H CA 0.929 56.883 56.048 -0.157 0.000 1.407 95 H CB 0.447 30.159 29.762 -0.083 0.000 1.540 95 H HN 0.631 nan 8.280 nan 0.000 0.516 96 K N 2.667 123.073 120.400 0.010 0.000 2.173 96 K HA -0.227 4.094 4.320 0.001 0.000 0.207 96 K C 2.021 178.466 176.600 -0.259 0.000 1.046 96 K CA 1.540 57.773 56.287 -0.090 0.000 0.929 96 K CB 0.148 32.625 32.500 -0.039 0.000 0.720 96 K HN 0.521 nan 8.250 nan 0.000 0.453 97 S N 0.550 115.885 115.700 -0.607 0.000 2.354 97 S HA -0.096 4.375 4.470 0.001 0.000 0.200 97 S C 1.655 175.937 174.600 -0.529 0.000 1.055 97 S CA 1.632 59.453 58.200 -0.631 0.000 1.077 97 S CB -0.343 62.373 63.200 -0.807 0.000 0.992 97 S HN 0.422 nan 8.310 nan 0.000 0.423 98 T N 0.162 114.302 114.554 -0.689 0.000 3.473 98 T HA 0.312 4.663 4.350 0.001 0.000 0.247 98 T C 0.296 174.908 174.700 -0.148 0.000 1.010 98 T CA -0.222 61.707 62.100 -0.286 0.000 0.940 98 T CB -0.450 68.324 68.868 -0.156 0.000 1.068 98 T HN 0.455 nan 8.240 nan 0.000 0.604 99 R N -0.388 120.019 120.500 -0.156 0.000 3.952 99 R HA -0.136 4.204 4.340 0.001 0.000 0.310 99 R C 0.209 176.508 176.300 -0.002 0.000 1.248 99 R CA 0.826 56.895 56.100 -0.053 0.000 0.912 99 R CB -1.785 28.484 30.300 -0.053 0.000 1.290 99 R HN 0.482 nan 8.270 nan 0.000 0.549 100 K N 0.715 121.143 120.400 0.046 0.000 2.180 100 K HA 0.332 4.653 4.320 0.001 0.000 0.251 100 K C 0.374 176.930 176.600 -0.073 0.000 1.014 100 K CA -0.289 55.973 56.287 -0.041 0.000 0.913 100 K CB 0.872 33.370 32.500 -0.003 0.000 1.008 100 K HN -0.105 nan 8.250 nan 0.000 0.490 101 V N 3.101 122.818 119.914 -0.328 0.000 2.443 101 V HA 0.361 4.481 4.120 0.001 0.000 0.293 101 V C -1.039 174.890 176.094 -0.276 0.000 1.021 101 V CA -0.783 61.417 62.300 -0.167 0.000 0.848 101 V CB 0.573 32.358 31.823 -0.063 0.000 0.998 101 V HN 0.597 nan 8.190 nan 0.000 0.424 102 Y N 1.826 122.241 120.300 0.191 0.000 2.790 102 Y HA 0.842 5.393 4.550 0.001 0.000 0.323 102 Y C 0.318 176.267 175.900 0.081 0.000 1.230 102 Y CA -1.227 57.009 58.100 0.226 0.000 1.121 102 Y CB 1.763 40.416 38.460 0.322 0.000 1.328 102 Y HN 0.590 nan 8.280 nan 0.000 0.514 103 A N 1.548 124.553 122.820 0.310 0.000 2.285 103 A HA 0.624 4.945 4.320 0.001 0.000 0.310 103 A C -1.056 176.575 177.584 0.079 0.000 1.266 103 A CA -0.526 51.594 52.037 0.138 0.000 0.832 103 A CB 0.153 19.282 19.000 0.215 0.000 1.163 103 A HN 0.759 nan 8.150 nan 0.000 0.499 104 M N 3.915 123.516 119.600 0.002 0.000 2.036 104 M HA 0.297 4.778 4.480 0.001 0.000 0.337 104 M C -0.235 176.028 176.300 -0.062 0.000 1.012 104 M CA -0.321 54.956 55.300 -0.039 0.000 0.962 104 M CB 0.405 32.942 32.600 -0.105 0.000 1.423 104 M HN 0.675 nan 8.290 nan 0.000 0.405 105 K N 3.963 124.323 120.400 -0.068 0.000 2.249 105 K HA 0.427 4.747 4.320 0.001 0.000 0.280 105 K C -1.517 174.973 176.600 -0.183 0.000 1.033 105 K CA -0.473 55.749 56.287 -0.107 0.000 0.946 105 K CB 0.790 33.247 32.500 -0.071 0.000 1.005 105 K HN 0.571 nan 8.250 nan 0.000 0.469 106 L N 4.629 125.687 121.223 -0.275 0.000 2.334 106 L HA 0.494 4.835 4.340 0.001 0.000 0.273 106 L C -0.428 176.211 176.870 -0.384 0.000 1.013 106 L CA -0.454 54.101 54.840 -0.476 0.000 0.816 106 L CB 1.523 43.160 42.059 -0.703 0.000 1.278 106 L HN 0.560 nan 8.230 nan 0.000 0.431 107 L N 0.633 121.611 121.223 -0.410 0.000 2.333 107 L HA 0.549 4.889 4.340 0.001 0.000 0.269 107 L C -0.029 176.742 176.870 -0.166 0.000 1.010 107 L CA -0.616 54.060 54.840 -0.274 0.000 0.818 107 L CB 2.098 43.932 42.059 -0.376 0.000 1.306 107 L HN 0.520 nan 8.230 nan 0.000 0.430 108 S N 0.733 116.404 115.700 -0.048 0.000 2.404 108 S HA 0.204 4.675 4.470 0.001 0.000 0.309 108 S C 0.891 175.442 174.600 -0.080 0.000 1.076 108 S CA -0.594 57.666 58.200 0.101 0.000 1.095 108 S CB 0.520 63.811 63.200 0.153 0.000 0.972 108 S HN 0.584 nan 8.310 nan 0.000 0.484 109 K N 3.348 123.669 120.400 -0.131 0.000 2.103 109 K HA -0.154 4.166 4.320 0.001 0.000 0.207 109 K C 1.456 178.052 176.600 -0.007 0.000 1.048 109 K CA 1.551 57.823 56.287 -0.024 0.000 0.930 109 K CB -0.219 32.432 32.500 0.251 0.000 0.716 109 K HN 0.745 nan 8.250 nan 0.000 0.444 110 F N 2.622 122.368 119.950 -0.341 0.000 2.010 110 F HA -0.258 4.270 4.527 0.001 0.000 0.296 110 F C 2.397 178.010 175.800 -0.312 0.000 1.146 110 F CA 1.481 59.126 58.000 -0.592 0.000 1.181 110 F CB 0.033 38.725 39.000 -0.512 0.000 0.965 110 F HN -0.043 nan 8.300 nan 0.000 0.480 111 E N 0.375 120.804 120.200 0.380 0.000 2.130 111 E HA -0.289 4.062 4.350 0.001 0.000 0.196 111 E C 2.224 178.875 176.600 0.084 0.000 0.998 111 E CA 1.754 58.337 56.400 0.305 0.000 0.806 111 E CB -0.611 29.250 29.700 0.269 0.000 0.738 111 E HN 0.577 nan 8.360 nan 0.000 0.459 112 M N -0.123 119.439 119.600 -0.064 0.000 2.358 112 M HA -0.123 4.358 4.480 0.001 0.000 0.264 112 M C 1.870 178.141 176.300 -0.048 0.000 1.064 112 M CA 0.808 55.994 55.300 -0.190 0.000 1.093 112 M CB 0.061 32.505 32.600 -0.260 0.000 1.401 112 M HN 0.064 nan 8.290 nan 0.000 0.440 113 I N -0.423 120.134 120.570 -0.021 0.000 2.556 113 I HA -0.176 3.995 4.170 0.001 0.000 0.251 113 I C 2.249 178.334 176.117 -0.053 0.000 1.105 113 I CA 1.038 62.327 61.300 -0.019 0.000 1.436 113 I CB -1.188 36.811 38.000 -0.001 0.000 1.139 113 I HN 0.290 nan 8.210 nan 0.000 0.438 114 K N 1.251 121.584 120.400 -0.111 0.000 2.044 114 K HA -0.174 4.147 4.320 0.001 0.000 0.210 114 K C 0.794 177.425 176.600 0.051 0.000 1.049 114 K CA 1.146 57.412 56.287 -0.035 0.000 0.927 114 K CB 0.083 32.610 32.500 0.045 0.000 0.713 114 K HN 0.015 nan 8.250 nan 0.000 0.443 115 R N 1.502 122.061 120.500 0.099 0.000 2.489 115 R HA 0.031 4.372 4.340 0.001 0.000 0.287 115 R C 1.216 177.573 176.300 0.095 0.000 1.053 115 R CA 0.171 56.362 56.100 0.153 0.000 1.036 115 R CB 0.845 31.330 30.300 0.308 0.000 0.966 115 R HN 0.233 nan 8.270 nan 0.000 0.432 116 S N 1.221 116.982 115.700 0.101 0.000 2.392 116 S HA -0.141 4.330 4.470 0.001 0.000 0.232 116 S C 0.312 174.949 174.600 0.061 0.000 1.041 116 S CA 1.474 59.714 58.200 0.066 0.000 1.026 116 S CB 0.033 63.270 63.200 0.061 0.000 0.845 116 S HN 0.518 nan 8.310 nan 0.000 0.465 117 D N -0.082 120.377 120.400 0.099 0.000 2.248 117 D HA 0.479 5.119 4.640 0.001 0.000 0.246 117 D C -0.258 176.059 176.300 0.028 0.000 1.027 117 D CA -0.174 53.880 54.000 0.090 0.000 0.853 117 D CB 1.782 42.679 40.800 0.163 0.000 1.243 117 D HN 0.146 nan 8.370 nan 0.000 0.462 118 S N -0.259 115.373 115.700 -0.112 0.000 2.701 118 S HA 0.527 4.998 4.470 0.001 0.000 0.228 118 S C 0.157 174.449 174.600 -0.513 0.000 0.948 118 S CA -0.498 57.516 58.200 -0.309 0.000 1.129 118 S CB 0.339 63.565 63.200 0.043 0.000 1.352 118 S HN 0.369 nan 8.310 nan 0.000 0.446 119 A N 0.679 123.086 122.820 -0.688 0.000 2.548 119 A HA 0.457 4.778 4.320 0.001 0.000 0.236 119 A C 1.045 178.225 177.584 -0.673 0.000 1.246 119 A CA 0.017 51.696 52.037 -0.597 0.000 0.993 119 A CB -0.505 18.381 19.000 -0.189 0.000 1.209 119 A HN 0.760 nan 8.150 nan 0.000 0.570 120 F N -0.033 119.696 119.950 -0.369 0.000 2.325 120 F HA 0.022 4.549 4.527 0.001 0.000 0.299 120 F C 1.555 177.257 175.800 -0.162 0.000 1.090 120 F CA 0.554 58.447 58.000 -0.178 0.000 1.392 120 F CB -1.394 37.571 39.000 -0.059 0.000 1.053 120 F HN 0.233 nan 8.300 nan 0.000 0.521 121 F N -2.118 117.696 119.950 -0.227 0.000 2.502 121 F HA 0.120 4.648 4.527 0.001 0.000 0.298 121 F C 1.494 177.240 175.800 -0.090 0.000 1.111 121 F CA -0.759 57.168 58.000 -0.121 0.000 1.445 121 F CB -1.615 37.114 39.000 -0.452 0.000 1.081 121 F HN -0.059 nan 8.300 nan 0.000 0.558 122 W N 1.747 122.941 121.300 -0.177 0.000 2.378 122 W HA -0.093 4.568 4.660 0.001 0.000 0.313 122 W C 2.380 178.923 176.519 0.040 0.000 1.197 122 W CA 1.215 58.566 57.345 0.010 0.000 1.304 122 W CB -0.309 29.073 29.460 -0.129 0.000 1.148 122 W HN -0.083 nan 8.180 nan 0.000 0.494 123 E N 0.659 121.018 120.200 0.264 0.000 2.049 123 E HA -0.275 4.076 4.350 0.001 0.000 0.198 123 E C 1.639 178.314 176.600 0.126 0.000 1.007 123 E CA 1.824 58.391 56.400 0.278 0.000 0.809 123 E CB -1.058 28.805 29.700 0.273 0.000 0.749 123 E HN 0.480 nan 8.360 nan 0.000 0.450 124 E N 0.983 121.257 120.200 0.123 0.000 2.002 124 E HA -0.251 4.100 4.350 0.001 0.000 0.205 124 E C 2.273 178.780 176.600 -0.155 0.000 1.020 124 E CA 1.657 58.072 56.400 0.025 0.000 0.856 124 E CB -0.100 29.708 29.700 0.180 0.000 0.788 124 E HN 0.133 nan 8.360 nan 0.000 0.477 125 R N 0.533 120.983 120.500 -0.082 0.000 2.168 125 R HA -0.317 4.024 4.340 0.001 0.000 0.242 125 R C 2.056 178.075 176.300 -0.468 0.000 1.123 125 R CA 2.668 58.604 56.100 -0.273 0.000 0.928 125 R CB -0.738 29.419 30.300 -0.238 0.000 0.873 125 R HN 0.286 nan 8.270 nan 0.000 0.434 126 D N -0.592 119.623 120.400 -0.309 0.000 2.160 126 D HA -0.219 4.422 4.640 0.001 0.000 0.189 126 D C 1.899 177.891 176.300 -0.513 0.000 1.003 126 D CA 2.659 56.432 54.000 -0.380 0.000 0.846 126 D CB -0.070 40.736 40.800 0.010 0.000 0.949 126 D HN 0.346 nan 8.370 nan 0.000 0.446 127 I N -0.163 120.109 120.570 -0.496 0.000 2.045 127 I HA -0.307 3.864 4.170 0.001 0.000 0.233 127 I C 2.527 178.281 176.117 -0.606 0.000 1.048 127 I CA 1.047 61.951 61.300 -0.660 0.000 1.313 127 I CB -0.415 37.016 38.000 -0.947 0.000 1.043 127 I HN 0.120 nan 8.210 nan 0.000 0.393 128 M N 0.353 119.546 119.600 -0.677 0.000 2.252 128 M HA -0.260 4.221 4.480 0.001 0.000 0.257 128 M C 2.185 178.243 176.300 -0.404 0.000 1.077 128 M CA 2.078 57.070 55.300 -0.514 0.000 1.066 128 M CB -0.626 31.737 32.600 -0.395 0.000 1.380 128 M HN 0.453 nan 8.290 nan 0.000 0.412 129 A N -1.156 121.356 122.820 -0.513 0.000 2.014 129 A HA 0.127 4.448 4.320 0.001 0.000 0.210 129 A C 1.596 179.076 177.584 -0.175 0.000 1.188 129 A CA 0.386 52.131 52.037 -0.487 0.000 0.731 129 A CB -0.210 18.208 19.000 -0.969 0.000 0.858 129 A HN 0.504 nan 8.150 nan 0.000 0.464 130 F N -1.193 118.626 119.950 -0.218 0.000 2.704 130 F HA 0.251 4.779 4.527 0.001 0.000 0.304 130 F C 2.463 178.185 175.800 -0.131 0.000 1.094 130 F CA 0.067 57.983 58.000 -0.140 0.000 1.275 130 F CB 0.318 39.241 39.000 -0.128 0.000 1.073 130 F HN 0.254 nan 8.300 nan 0.000 0.586 131 A N 1.061 123.859 122.820 -0.037 0.000 1.903 131 A HA -0.334 3.987 4.320 0.001 0.000 0.219 131 A C 1.228 178.806 177.584 -0.011 0.000 1.191 131 A CA 1.866 53.857 52.037 -0.078 0.000 0.638 131 A CB -0.966 17.939 19.000 -0.160 0.000 0.823 131 A HN 0.536 nan 8.150 nan 0.000 0.451 132 N N -1.526 117.175 118.700 0.002 0.000 2.667 132 N HA -0.153 4.587 4.740 0.001 0.000 0.263 132 N C -0.457 175.051 175.510 -0.003 0.000 1.038 132 N CA 1.058 54.116 53.050 0.014 0.000 0.749 132 N CB -1.285 37.221 38.487 0.032 0.000 0.892 132 N HN 0.741 nan 8.380 nan 0.000 0.546 133 S N 0.413 116.104 115.700 -0.015 0.000 2.546 133 S HA 0.692 5.163 4.470 0.001 0.000 0.274 133 S C -2.104 172.458 174.600 -0.063 0.000 1.121 133 S CA -0.929 57.255 58.200 -0.027 0.000 0.887 133 S CB 1.813 65.047 63.200 0.058 0.000 1.094 133 S HN 0.120 nan 8.310 nan 0.000 0.474 134 P HA 0.077 nan 4.420 nan 0.000 0.233 134 P C 0.707 177.919 177.300 -0.147 0.000 1.167 134 P CA 0.594 63.532 63.100 -0.269 0.000 0.770 134 P CB -0.064 31.315 31.700 -0.535 0.000 0.837 135 W N -0.087 121.216 121.300 0.005 0.000 2.658 135 W HA 0.089 4.750 4.660 0.001 0.000 0.263 135 W C 0.395 176.928 176.519 0.024 0.000 1.274 135 W CA -0.311 57.040 57.345 0.011 0.000 1.343 135 W CB 0.425 29.890 29.460 0.009 0.000 1.106 135 W HN -0.352 nan 8.180 nan 0.000 0.615 136 V N 1.133 121.188 119.914 0.235 0.000 2.459 136 V HA 0.169 4.290 4.120 0.001 0.000 0.295 136 V C 0.388 176.529 176.094 0.078 0.000 1.029 136 V CA -1.225 61.168 62.300 0.155 0.000 0.874 136 V CB 1.489 33.325 31.823 0.020 0.000 0.985 136 V HN -0.310 nan 8.190 nan 0.000 0.438 137 V N 4.110 124.090 119.914 0.110 0.000 2.928 137 V HA 0.027 4.147 4.120 0.001 0.000 0.307 137 V C 0.377 176.418 176.094 -0.088 0.000 1.105 137 V CA 0.294 62.615 62.300 0.035 0.000 1.223 137 V CB 0.630 32.501 31.823 0.080 0.000 0.930 137 V HN 0.981 nan 8.190 nan 0.000 0.499 138 Q N 2.271 121.959 119.800 -0.187 0.000 2.235 138 Q HA 0.575 4.916 4.340 0.001 0.000 0.256 138 Q C -1.342 174.317 176.000 -0.569 0.000 0.951 138 Q CA -0.930 54.659 55.803 -0.357 0.000 0.890 138 Q CB 1.755 30.264 28.738 -0.381 0.000 1.279 138 Q HN 0.601 nan 8.270 nan 0.000 0.444 139 L N 3.702 124.621 121.223 -0.507 0.000 2.296 139 L HA 0.353 4.694 4.340 0.001 0.000 0.286 139 L C -0.975 175.642 176.870 -0.421 0.000 1.023 139 L CA 0.361 54.936 54.840 -0.441 0.000 0.812 139 L CB 0.875 42.755 42.059 -0.299 0.000 1.223 139 L HN 0.871 nan 8.230 nan 0.000 0.421 140 F N 3.488 123.301 119.950 -0.229 0.000 2.383 140 F HA 0.247 4.775 4.527 0.001 0.000 0.287 140 F C -0.232 175.074 175.800 -0.823 0.000 1.069 140 F CA -0.042 57.567 58.000 -0.651 0.000 1.402 140 F CB 0.253 38.661 39.000 -0.987 0.000 1.116 140 F HN 0.303 nan 8.300 nan 0.000 0.549 141 Y N -0.673 119.754 120.300 0.212 0.000 2.588 141 Y HA 0.718 5.269 4.550 0.001 0.000 0.343 141 Y C -0.437 175.590 175.900 0.211 0.000 1.065 141 Y CA -2.209 56.014 58.100 0.204 0.000 1.038 141 Y CB 1.376 39.943 38.460 0.178 0.000 1.297 141 Y HN -0.151 nan 8.280 nan 0.000 0.467 142 A N 1.787 124.851 122.820 0.408 0.000 2.574 142 A HA 0.932 5.253 4.320 0.001 0.000 0.297 142 A C -1.616 176.159 177.584 0.318 0.000 1.062 142 A CA -0.685 51.427 52.037 0.125 0.000 0.686 142 A CB 1.389 20.142 19.000 -0.411 0.000 1.285 142 A HN 1.034 nan 8.150 nan 0.000 0.403 143 F N -1.050 118.933 119.950 0.054 0.000 3.031 143 F HA 0.688 5.216 4.527 0.001 0.000 0.326 143 F C -1.014 175.017 175.800 0.385 0.000 1.143 143 F CA -0.849 57.241 58.000 0.151 0.000 0.871 143 F CB 0.691 39.744 39.000 0.088 0.000 1.377 143 F HN 0.898 nan 8.300 nan 0.000 0.462 144 Q N 0.358 120.414 119.800 0.426 0.000 2.707 144 Q HA 0.754 5.094 4.340 0.001 0.000 0.307 144 Q C -2.359 173.878 176.000 0.395 0.000 0.934 144 Q CA -0.864 55.146 55.803 0.346 0.000 0.753 144 Q CB 3.283 32.141 28.738 0.200 0.000 1.478 144 Q HN 0.832 nan 8.270 nan 0.000 0.458 145 D N -1.467 119.109 120.400 0.293 0.000 2.921 145 D HA 0.097 4.738 4.640 0.001 0.000 0.329 145 D C -0.122 176.105 176.300 -0.122 0.000 1.293 145 D CA -0.120 54.001 54.000 0.202 0.000 0.964 145 D CB 0.006 40.991 40.800 0.308 0.000 1.435 145 D HN 0.608 nan 8.370 nan 0.000 0.548 146 D N -0.704 119.454 120.400 -0.404 0.000 2.350 146 D HA -0.133 4.508 4.640 0.001 0.000 0.216 146 D C 0.974 177.160 176.300 -0.189 0.000 0.968 146 D CA 0.727 54.369 54.000 -0.598 0.000 0.894 146 D CB 0.269 40.718 40.800 -0.587 0.000 0.909 146 D HN 0.316 nan 8.370 nan 0.000 0.520 147 R N -1.423 118.965 120.500 -0.187 0.000 2.276 147 R HA 0.187 4.527 4.340 0.001 0.000 0.195 147 R C 0.197 176.165 176.300 -0.553 0.000 0.908 147 R CA 0.185 56.050 56.100 -0.391 0.000 1.083 147 R CB 0.782 30.724 30.300 -0.597 0.000 1.182 147 R HN 0.180 nan 8.270 nan 0.000 0.608 148 Y N 0.345 120.552 120.300 -0.154 0.000 2.545 148 Y HA 0.468 5.018 4.550 0.001 0.000 0.348 148 Y C -0.398 175.173 175.900 -0.549 0.000 1.002 148 Y CA -1.193 56.641 58.100 -0.443 0.000 1.039 148 Y CB 2.093 40.121 38.460 -0.719 0.000 1.271 148 Y HN -0.236 nan 8.280 nan 0.000 0.467 149 L N 2.499 123.401 121.223 -0.535 0.000 2.322 149 L HA 0.468 4.809 4.340 0.001 0.000 0.279 149 L C -1.394 175.119 176.870 -0.595 0.000 1.036 149 L CA -0.783 53.719 54.840 -0.564 0.000 0.807 149 L CB 0.890 42.305 42.059 -1.073 0.000 1.226 149 L HN 0.523 nan 8.230 nan 0.000 0.433 150 Y N 2.463 122.500 120.300 -0.439 0.000 2.446 150 Y HA 0.615 5.166 4.550 0.001 0.000 0.345 150 Y C -0.129 175.523 175.900 -0.413 0.000 0.984 150 Y CA -0.824 56.914 58.100 -0.604 0.000 1.058 150 Y CB 1.953 39.629 38.460 -1.307 0.000 1.220 150 Y HN 0.380 nan 8.280 nan 0.000 0.455 151 M N 3.484 123.031 119.600 -0.088 0.000 2.093 151 M HA 0.378 4.858 4.480 0.001 0.000 0.297 151 M C -1.426 174.876 176.300 0.003 0.000 0.938 151 M CA -0.687 54.589 55.300 -0.039 0.000 0.920 151 M CB 1.727 34.302 32.600 -0.041 0.000 1.517 151 M HN 0.308 nan 8.290 nan 0.000 0.427 152 V N 5.478 125.438 119.914 0.076 0.000 2.353 152 V HA 0.406 4.526 4.120 0.001 0.000 0.264 152 V C -0.003 176.112 176.094 0.035 0.000 1.049 152 V CA 0.172 62.510 62.300 0.064 0.000 0.896 152 V CB 0.545 32.446 31.823 0.129 0.000 1.025 152 V HN 0.860 nan 8.190 nan 0.000 0.475 153 M N 3.728 123.376 119.600 0.080 0.000 2.716 153 M HA 0.495 4.975 4.480 0.001 0.000 0.307 153 M C 0.066 176.504 176.300 0.231 0.000 1.223 153 M CA -0.758 54.538 55.300 -0.007 0.000 0.871 153 M CB 1.975 34.559 32.600 -0.027 0.000 1.739 153 M HN 0.672 nan 8.290 nan 0.000 0.475 154 E N 1.204 121.459 120.200 0.092 0.000 2.493 154 E HA -0.035 4.315 4.350 0.001 0.000 0.255 154 E C -1.125 175.665 176.600 0.316 0.000 0.999 154 E CA -0.252 56.360 56.400 0.353 0.000 0.934 154 E CB 0.278 30.107 29.700 0.216 0.000 0.940 154 E HN 0.496 nan 8.360 nan 0.000 0.473 155 Y N 4.328 124.750 120.300 0.203 0.000 2.652 155 Y HA -0.038 4.513 4.550 0.001 0.000 0.344 155 Y C 0.032 176.010 175.900 0.130 0.000 1.254 155 Y CA -0.391 57.790 58.100 0.136 0.000 1.480 155 Y CB 0.653 39.182 38.460 0.116 0.000 1.345 155 Y HN 0.567 nan 8.280 nan 0.000 0.617 156 M N 9.039 128.436 119.600 -0.339 0.000 2.065 156 M HA 0.171 4.652 4.480 0.001 0.000 0.308 156 M C -1.841 174.098 176.300 -0.602 0.000 0.939 156 M CA -1.826 53.274 55.300 -0.333 0.000 0.890 156 M CB 1.289 33.872 32.600 -0.027 0.000 1.383 156 M HN 0.429 nan 8.290 nan 0.000 0.381 157 P HA -0.155 nan 4.420 nan 0.000 0.216 157 P C 1.407 178.620 177.300 -0.145 0.000 1.150 157 P CA 1.715 64.569 63.100 -0.410 0.000 0.843 157 P CB 0.208 31.805 31.700 -0.171 0.000 0.787 158 G N 0.315 109.041 108.800 -0.123 0.000 2.812 158 G HA2 0.041 4.002 3.960 0.001 0.000 0.218 158 G HA3 0.041 4.002 3.960 0.001 0.000 0.218 158 G C 0.806 175.587 174.900 -0.198 0.000 1.287 158 G CA 1.453 46.493 45.100 -0.101 0.000 0.796 158 G HN 0.755 nan 8.290 nan 0.000 0.649 159 G N -1.125 107.600 108.800 -0.125 0.000 2.371 159 G HA2 0.331 4.292 3.960 0.001 0.000 0.663 159 G HA3 0.331 4.292 3.960 0.001 0.000 0.663 159 G C -1.171 173.695 174.900 -0.057 0.000 1.311 159 G CA 0.144 45.048 45.100 -0.327 0.000 0.985 159 G HN 0.868 nan 8.290 nan 0.000 0.566 160 D N -0.402 119.998 120.400 0.000 0.000 2.341 160 D HA 0.345 4.985 4.640 0.001 0.000 0.245 160 D C 1.183 177.464 176.300 -0.032 0.000 1.106 160 D CA -0.734 53.280 54.000 0.024 0.000 0.905 160 D CB 1.641 42.493 40.800 0.087 0.000 1.202 160 D HN 0.285 nan 8.370 nan 0.000 0.426 161 L N 2.139 123.337 121.223 -0.042 0.000 2.627 161 L HA -0.003 4.338 4.340 0.001 0.000 0.233 161 L C 1.712 178.659 176.870 0.129 0.000 1.144 161 L CA 0.539 55.383 54.840 0.005 0.000 0.892 161 L CB -0.111 41.947 42.059 -0.001 0.000 1.039 161 L HN 0.493 nan 8.230 nan 0.000 0.442 162 V N -0.827 119.141 119.914 0.090 0.000 3.307 162 V HA -0.023 4.097 4.120 0.001 0.000 0.253 162 V C 2.116 178.268 176.094 0.096 0.000 1.149 162 V CA 0.803 63.180 62.300 0.128 0.000 1.112 162 V CB -0.014 31.873 31.823 0.106 0.000 0.777 162 V HN 0.597 nan 8.190 nan 0.000 0.464 163 N N 0.677 119.408 118.700 0.052 0.000 2.216 163 N HA -0.137 4.604 4.740 0.001 0.000 0.183 163 N C 1.960 177.491 175.510 0.037 0.000 1.017 163 N CA 1.856 54.921 53.050 0.024 0.000 0.861 163 N CB -0.144 38.316 38.487 -0.044 0.000 0.986 163 N HN 0.556 nan 8.380 nan 0.000 0.428 164 L N 0.793 122.045 121.223 0.050 0.000 2.127 164 L HA 0.007 4.347 4.340 0.001 0.000 0.211 164 L C 1.820 178.779 176.870 0.149 0.000 1.089 164 L CA 1.258 56.159 54.840 0.103 0.000 0.757 164 L CB -0.252 41.891 42.059 0.141 0.000 0.899 164 L HN 0.123 nan 8.230 nan 0.000 0.434 165 M N -0.752 118.938 119.600 0.150 0.000 2.686 165 M HA 0.069 4.550 4.480 0.001 0.000 0.216 165 M C 1.108 177.473 176.300 0.108 0.000 1.221 165 M CA 0.646 56.035 55.300 0.148 0.000 0.992 165 M CB -0.272 32.429 32.600 0.169 0.000 1.739 165 M HN 0.569 nan 8.290 nan 0.000 0.461 166 S N -2.546 113.207 115.700 0.090 0.000 2.651 166 S HA 0.209 4.680 4.470 0.001 0.000 0.259 166 S C 0.531 175.166 174.600 0.057 0.000 1.073 166 S CA -0.667 57.573 58.200 0.068 0.000 1.090 166 S CB 0.368 63.604 63.200 0.060 0.000 1.042 166 S HN 0.351 nan 8.310 nan 0.000 0.581 173 K N 0.021 120.499 120.400 0.130 0.000 2.442 173 K HA -0.056 4.265 4.320 0.001 0.000 0.198 173 K C 0.800 177.628 176.600 0.380 0.000 1.042 173 K CA 1.018 57.430 56.287 0.209 0.000 0.958 173 K CB 0.092 32.694 32.500 0.169 0.000 0.766 173 K HN 0.209 nan 8.250 nan 0.000 0.474 174 W N 0.038 121.323 121.300 -0.025 0.000 2.580 174 W HA 0.186 4.847 4.660 0.001 0.000 0.287 174 W C 2.270 178.737 176.519 -0.086 0.000 1.175 174 W CA 0.217 57.483 57.345 -0.132 0.000 1.409 174 W CB -0.816 28.543 29.460 -0.168 0.000 1.101 174 W HN -0.026 nan 8.180 nan 0.000 0.558 175 A N 0.243 123.230 122.820 0.277 0.000 1.930 175 A HA -0.142 4.179 4.320 0.001 0.000 0.217 175 A C 2.077 179.891 177.584 0.383 0.000 1.175 175 A CA 1.600 53.806 52.037 0.281 0.000 0.627 175 A CB -0.725 18.443 19.000 0.281 0.000 0.815 175 A HN 0.246 nan 8.150 nan 0.000 0.443 176 R N -1.740 118.970 120.500 0.350 0.000 2.189 176 R HA -0.113 4.227 4.340 0.001 0.000 0.223 176 R C 1.798 178.360 176.300 0.436 0.000 1.092 176 R CA 1.441 57.756 56.100 0.359 0.000 0.989 176 R CB -0.314 30.005 30.300 0.031 0.000 0.876 176 R HN 0.584 nan 8.270 nan 0.000 0.457 177 F N -0.100 119.924 119.950 0.123 0.000 2.094 177 F HA -0.131 4.397 4.527 0.001 0.000 0.291 177 F C 1.560 177.335 175.800 -0.041 0.000 1.109 177 F CA 1.306 59.181 58.000 -0.208 0.000 1.221 177 F CB -0.542 38.264 39.000 -0.323 0.000 1.014 177 F HN -0.043 nan 8.300 nan 0.000 0.473 178 Y N 0.568 120.960 120.300 0.154 0.000 2.049 178 Y HA -0.316 4.234 4.550 0.001 0.000 0.277 178 Y C 2.647 178.615 175.900 0.114 0.000 1.143 178 Y CA 1.309 59.471 58.100 0.103 0.000 1.115 178 Y CB -1.050 37.571 38.460 0.269 0.000 0.975 178 Y HN 0.008 nan 8.280 nan 0.000 0.487 179 T N 0.257 115.080 114.554 0.449 0.000 2.721 179 T HA -0.336 4.015 4.350 0.001 0.000 0.268 179 T C 1.954 176.897 174.700 0.404 0.000 1.038 179 T CA 1.289 63.687 62.100 0.496 0.000 1.145 179 T CB -0.638 68.592 68.868 0.603 0.000 0.858 179 T HN 0.508 nan 8.240 nan 0.000 0.459 180 A N 1.469 124.442 122.820 0.255 0.000 1.845 180 A HA -0.153 4.168 4.320 0.001 0.000 0.215 180 A C 2.243 179.749 177.584 -0.130 0.000 1.195 180 A CA 1.723 53.782 52.037 0.036 0.000 0.616 180 A CB -0.683 18.120 19.000 -0.327 0.000 0.832 180 A HN 0.546 nan 8.150 nan 0.000 0.443 181 E N -0.549 119.437 120.200 -0.356 0.000 2.097 181 E HA -0.173 4.178 4.350 0.001 0.000 0.196 181 E C 2.009 178.246 176.600 -0.605 0.000 1.000 181 E CA 1.520 57.574 56.400 -0.577 0.000 0.804 181 E CB -0.293 29.136 29.700 -0.452 0.000 0.740 181 E HN 0.373 nan 8.360 nan 0.000 0.454 182 V N 0.676 120.454 119.914 -0.225 0.000 2.427 182 V HA -0.206 3.915 4.120 0.001 0.000 0.248 182 V C 2.299 178.375 176.094 -0.030 0.000 1.051 182 V CA 1.155 63.376 62.300 -0.132 0.000 1.048 182 V CB -0.129 31.730 31.823 0.060 0.000 0.666 182 V HN 0.136 nan 8.190 nan 0.000 0.456 183 V N -0.310 119.664 119.914 0.100 0.000 2.407 183 V HA -0.242 3.878 4.120 0.001 0.000 0.248 183 V C 2.178 178.289 176.094 0.030 0.000 1.055 183 V CA 1.834 64.272 62.300 0.230 0.000 1.049 183 V CB -0.456 31.465 31.823 0.163 0.000 0.662 183 V HN 0.440 nan 8.190 nan 0.000 0.455 184 L N -0.249 120.800 121.223 -0.290 0.000 2.068 184 L HA -0.008 4.333 4.340 0.001 0.000 0.204 184 L C 2.785 179.266 176.870 -0.648 0.000 1.076 184 L CA 1.287 55.865 54.840 -0.437 0.000 0.753 184 L CB -0.861 40.926 42.059 -0.453 0.000 0.910 184 L HN 0.317 nan 8.230 nan 0.000 0.439 185 A N 0.191 122.350 122.820 -1.102 0.000 1.917 185 A HA -0.253 4.068 4.320 0.001 0.000 0.219 185 A C 2.286 179.723 177.584 -0.245 0.000 1.182 185 A CA 1.787 53.405 52.037 -0.699 0.000 0.633 185 A CB -0.826 17.882 19.000 -0.488 0.000 0.819 185 A HN 0.377 nan 8.150 nan 0.000 0.448 186 L N -0.741 120.355 121.223 -0.212 0.000 2.093 186 L HA -0.169 4.172 4.340 0.001 0.000 0.208 186 L C 2.298 179.062 176.870 -0.178 0.000 1.085 186 L CA 1.813 56.510 54.840 -0.238 0.000 0.755 186 L CB -0.274 41.621 42.059 -0.273 0.000 0.904 186 L HN 0.486 nan 8.230 nan 0.000 0.435 187 D N -0.382 120.089 120.400 0.117 0.000 2.218 187 D HA -0.177 4.463 4.640 0.001 0.000 0.204 187 D C 2.087 178.470 176.300 0.138 0.000 0.976 187 D CA 1.170 55.326 54.000 0.260 0.000 0.853 187 D CB 0.206 41.150 40.800 0.239 0.000 0.939 187 D HN 0.348 nan 8.370 nan 0.000 0.481 188 A N 0.853 123.719 122.820 0.077 0.000 1.851 188 A HA -0.182 4.138 4.320 0.001 0.000 0.216 188 A C 2.243 179.853 177.584 0.043 0.000 1.195 188 A CA 1.611 53.709 52.037 0.101 0.000 0.622 188 A CB -0.787 18.311 19.000 0.163 0.000 0.831 188 A HN 0.292 nan 8.150 nan 0.000 0.444 189 I N 0.019 120.562 120.570 -0.045 0.000 2.087 189 I HA -0.286 3.884 4.170 0.001 0.000 0.240 189 I C 2.403 178.533 176.117 0.021 0.000 1.054 189 I CA 1.947 63.197 61.300 -0.084 0.000 1.311 189 I CB -2.108 35.792 38.000 -0.166 0.000 1.024 189 I HN 0.451 nan 8.210 nan 0.000 0.402 190 H N 0.716 119.842 119.070 0.093 0.000 2.353 190 H HA -0.113 4.444 4.556 0.001 0.000 0.298 190 H C 2.486 177.887 175.328 0.122 0.000 1.103 190 H CA 1.796 57.903 56.048 0.098 0.000 1.293 190 H CB -0.608 29.197 29.762 0.071 0.000 1.372 190 H HN 0.288 nan 8.280 nan 0.000 0.501 191 S N 0.319 116.155 115.700 0.226 0.000 2.419 191 S HA -0.073 4.397 4.470 0.001 0.000 0.233 191 S C 2.123 176.819 174.600 0.159 0.000 1.016 191 S CA 0.609 58.909 58.200 0.168 0.000 0.974 191 S CB -0.135 63.147 63.200 0.136 0.000 0.786 191 S HN 0.339 nan 8.310 nan 0.000 0.492 192 M N 0.229 119.935 119.600 0.178 0.000 2.619 192 M HA 0.066 4.547 4.480 0.001 0.000 0.251 192 M C 1.431 177.974 176.300 0.405 0.000 1.106 192 M CA 0.623 56.059 55.300 0.227 0.000 1.086 192 M CB -0.062 32.590 32.600 0.086 0.000 1.465 192 M HN 0.508 nan 8.290 nan 0.000 0.506 193 G N 0.673 109.667 108.800 0.323 0.000 2.130 193 G HA2 -0.233 3.727 3.960 0.001 0.000 0.216 193 G HA3 -0.233 3.727 3.960 0.001 0.000 0.216 193 G C -0.376 174.584 174.900 0.099 0.000 0.999 193 G CA -0.484 44.727 45.100 0.185 0.000 0.686 193 G HN 0.344 nan 8.290 nan 0.000 0.515 194 F N -0.360 119.618 119.950 0.046 0.000 2.508 194 F HA 0.776 5.304 4.527 0.001 0.000 0.325 194 F C 0.495 176.330 175.800 0.058 0.000 1.090 194 F CA -1.578 56.438 58.000 0.026 0.000 0.945 194 F CB 1.700 40.700 39.000 0.000 0.000 1.156 194 F HN -0.044 nan 8.300 nan 0.000 0.463 195 I N 2.385 123.071 120.570 0.193 0.000 2.411 195 I HA 0.206 4.377 4.170 0.001 0.000 0.284 195 I C 0.870 177.064 176.117 0.130 0.000 1.012 195 I CA -0.324 61.080 61.300 0.174 0.000 1.119 195 I CB 1.468 39.531 38.000 0.106 0.000 1.261 195 I HN 0.746 nan 8.210 nan 0.000 0.448 196 H N 6.761 125.833 119.070 0.002 0.000 2.267 196 H HA -0.031 4.525 4.556 0.001 0.000 0.297 196 H C 0.630 175.950 175.328 -0.013 0.000 1.080 196 H CA 2.116 58.158 56.048 -0.010 0.000 1.278 196 H CB 0.251 29.939 29.762 -0.124 0.000 1.365 196 H HN 0.544 nan 8.280 nan 0.000 0.489 197 R N -0.392 120.241 120.500 0.221 0.000 3.762 197 R HA -0.166 4.175 4.340 0.001 0.000 0.328 197 R C -0.948 175.457 176.300 0.175 0.000 1.164 197 R CA 0.794 56.984 56.100 0.150 0.000 0.861 197 R CB -2.194 28.164 30.300 0.096 0.000 1.408 197 R HN 0.585 nan 8.270 nan 0.000 0.502 198 D N -0.403 120.160 120.400 0.272 0.000 3.937 198 D HA 0.098 4.739 4.640 0.001 0.000 0.250 198 D C -0.415 175.706 176.300 -0.297 0.000 1.434 198 D CA -0.183 53.851 54.000 0.056 0.000 0.834 198 D CB 0.481 41.366 40.800 0.142 0.000 1.395 198 D HN 0.007 nan 8.370 nan 0.000 0.778 199 V N 1.978 121.678 119.914 -0.356 0.000 2.924 199 V HA 0.549 4.670 4.120 0.001 0.000 0.305 199 V C 0.534 176.289 176.094 -0.566 0.000 1.073 199 V CA 0.317 62.315 62.300 -0.505 0.000 1.098 199 V CB 1.164 32.782 31.823 -0.341 0.000 1.000 199 V HN 0.542 nan 8.190 nan 0.000 0.484 200 K N 2.575 122.571 120.400 -0.673 0.000 2.991 200 K HA 0.213 4.534 4.320 0.001 0.000 0.309 200 K C -2.939 173.293 176.600 -0.614 0.000 1.122 200 K CA -0.964 54.819 56.287 -0.839 0.000 0.879 200 K CB 1.010 32.934 32.500 -0.958 0.000 1.418 200 K HN 0.243 nan 8.250 nan 0.000 0.369 201 P HA -0.093 nan 4.420 nan 0.000 0.226 201 P C 0.011 177.198 177.300 -0.189 0.000 1.153 201 P CA 1.226 64.165 63.100 -0.269 0.000 0.777 201 P CB 0.045 31.802 31.700 0.094 0.000 0.794 202 D N -0.122 120.161 120.400 -0.196 0.000 2.178 202 D HA -0.102 4.539 4.640 0.001 0.000 0.201 202 D C 1.415 177.616 176.300 -0.165 0.000 0.980 202 D CA 0.955 54.872 54.000 -0.137 0.000 0.842 202 D CB -0.465 40.254 40.800 -0.134 0.000 0.948 202 D HN 0.127 nan 8.370 nan 0.000 0.472 203 N N -0.232 118.309 118.700 -0.266 0.000 2.270 203 N HA 0.124 4.865 4.740 0.001 0.000 0.198 203 N C -0.398 174.943 175.510 -0.282 0.000 1.117 203 N CA 0.153 53.031 53.050 -0.287 0.000 0.845 203 N CB 0.381 38.629 38.487 -0.399 0.000 0.980 203 N HN 0.261 nan 8.380 nan 0.000 0.486 204 M N 1.351 120.800 119.600 -0.252 0.000 2.101 204 M HA 0.394 4.875 4.480 0.001 0.000 0.340 204 M C -0.635 175.596 176.300 -0.116 0.000 1.057 204 M CA -0.150 55.015 55.300 -0.224 0.000 0.984 204 M CB 1.804 34.209 32.600 -0.325 0.000 1.560 204 M HN -0.260 nan 8.290 nan 0.000 0.435 205 L N 3.957 125.145 121.223 -0.059 0.000 2.319 205 L HA 0.734 5.074 4.340 0.001 0.000 0.267 205 L C -0.886 175.988 176.870 0.008 0.000 1.011 205 L CA -1.068 53.775 54.840 0.006 0.000 0.818 205 L CB 1.940 44.034 42.059 0.060 0.000 1.316 205 L HN 0.629 nan 8.230 nan 0.000 0.432 206 L N 0.835 122.064 121.223 0.009 0.000 2.346 206 L HA 0.428 4.768 4.340 0.001 0.000 0.276 206 L C -0.787 176.097 176.870 0.023 0.000 1.006 206 L CA -0.931 53.920 54.840 0.019 0.000 0.817 206 L CB 1.968 44.013 42.059 -0.022 0.000 1.272 206 L HN 0.615 nan 8.230 nan 0.000 0.421 207 D N 0.991 121.431 120.400 0.067 0.000 2.478 207 D HA 0.092 4.733 4.640 0.001 0.000 0.269 207 D C 0.918 177.238 176.300 0.034 0.000 1.232 207 D CA -0.781 53.248 54.000 0.047 0.000 1.059 207 D CB 0.564 41.412 40.800 0.080 0.000 1.104 207 D HN 0.566 nan 8.370 nan 0.000 0.566 208 K N -0.957 119.459 120.400 0.027 0.000 2.293 208 K HA -0.203 4.118 4.320 0.001 0.000 0.204 208 K C 0.914 177.545 176.600 0.051 0.000 1.045 208 K CA 1.776 58.080 56.287 0.029 0.000 0.933 208 K CB -0.396 32.126 32.500 0.037 0.000 0.736 208 K HN 0.306 nan 8.250 nan 0.000 0.463 209 S N -0.759 115.002 115.700 0.101 0.000 2.562 209 S HA 0.329 4.800 4.470 0.001 0.000 0.246 209 S C 0.992 175.692 174.600 0.166 0.000 1.056 209 S CA -0.166 58.131 58.200 0.162 0.000 1.042 209 S CB 0.350 63.699 63.200 0.248 0.000 0.822 209 S HN 0.593 nan 8.310 nan 0.000 0.465 210 G N 1.135 109.972 108.800 0.061 0.000 2.200 210 G HA2 -0.284 3.676 3.960 0.001 0.000 0.267 210 G HA3 -0.284 3.676 3.960 0.001 0.000 0.267 210 G C -0.111 174.796 174.900 0.012 0.000 0.993 210 G CA 0.818 45.911 45.100 -0.011 0.000 0.701 210 G HN 0.756 nan 8.290 nan 0.000 0.524 211 H N -1.054 118.112 119.070 0.161 0.000 2.467 211 H HA 0.611 5.167 4.556 0.001 0.000 0.331 211 H C 0.686 176.128 175.328 0.189 0.000 1.120 211 H CA -0.251 55.946 56.048 0.248 0.000 1.270 211 H CB 1.567 31.451 29.762 0.204 0.000 1.466 211 H HN 0.430 nan 8.280 nan 0.000 0.504 212 L N 2.162 123.584 121.223 0.332 0.000 2.357 212 L HA 0.482 4.823 4.340 0.001 0.000 0.273 212 L C -0.908 176.123 176.870 0.268 0.000 1.080 212 L CA -0.455 54.492 54.840 0.178 0.000 0.803 212 L CB 0.679 42.749 42.059 0.018 0.000 1.174 212 L HN 0.608 nan 8.230 nan 0.000 0.443 213 K N 3.934 124.427 120.400 0.155 0.000 2.439 213 K HA 0.606 4.926 4.320 0.001 0.000 0.260 213 K C -1.470 175.163 176.600 0.056 0.000 1.032 213 K CA -0.846 55.548 56.287 0.179 0.000 0.882 213 K CB 1.952 34.555 32.500 0.172 0.000 1.420 213 K HN 0.523 nan 8.250 nan 0.000 0.455 214 L N 0.808 122.077 121.223 0.078 0.000 2.334 214 L HA 0.487 4.827 4.340 0.001 0.000 0.275 214 L C 0.383 177.254 176.870 0.002 0.000 1.036 214 L CA -0.214 54.587 54.840 -0.065 0.000 0.807 214 L CB 1.695 43.681 42.059 -0.121 0.000 1.231 214 L HN 0.940 nan 8.230 nan 0.000 0.438 215 A N 0.783 123.472 122.820 -0.219 0.000 2.066 215 A HA 0.152 4.473 4.320 0.001 0.000 0.198 215 A C 0.275 177.787 177.584 -0.119 0.000 1.405 215 A CA 0.109 52.125 52.037 -0.035 0.000 0.973 215 A CB 0.333 19.320 19.000 -0.021 0.000 1.026 215 A HN 0.642 nan 8.150 nan 0.000 0.474 216 D N -1.839 118.300 120.400 -0.434 0.000 2.198 216 D HA 0.635 5.276 4.640 0.001 0.000 0.247 216 D C -0.929 174.994 176.300 -0.628 0.000 1.010 216 D CA -0.298 53.537 54.000 -0.276 0.000 0.880 216 D CB 1.208 41.919 40.800 -0.147 0.000 1.209 216 D HN 0.139 nan 8.370 nan 0.000 0.451 217 F N -0.511 119.424 119.950 -0.025 0.000 2.974 217 F HA 0.241 4.769 4.527 0.001 0.000 0.357 217 F C 1.690 177.380 175.800 -0.183 0.000 1.114 217 F CA -0.681 57.198 58.000 -0.201 0.000 1.099 217 F CB 0.849 39.778 39.000 -0.118 0.000 1.205 217 F HN 0.424 nan 8.300 nan 0.000 0.535 218 G N 1.199 110.021 108.800 0.036 0.000 2.990 218 G HA2 0.321 4.282 3.960 0.001 0.000 0.256 218 G HA3 0.321 4.282 3.960 0.001 0.000 0.256 218 G C 0.627 175.498 174.900 -0.047 0.000 0.798 218 G CA 1.279 46.407 45.100 0.046 0.000 2.012 218 G HN 0.412 nan 8.290 nan 0.000 0.598 219 T N -3.535 110.991 114.554 -0.047 0.000 3.822 219 T HA -0.084 4.267 4.350 0.001 0.000 0.318 219 T C 1.193 175.853 174.700 -0.067 0.000 0.894 219 T CA -0.098 61.953 62.100 -0.081 0.000 1.147 219 T CB -0.341 68.431 68.868 -0.161 0.000 1.088 219 T HN 0.293 nan 8.240 nan 0.000 0.529 220 C N 2.702 121.928 119.300 -0.123 0.000 2.522 220 C HA 0.468 4.929 4.460 0.001 0.000 0.394 220 C C 0.445 175.466 174.990 0.051 0.000 1.359 220 C CA 0.210 59.241 59.018 0.021 0.000 1.667 220 C CB -1.169 26.711 27.740 0.233 0.000 2.595 220 C HN 0.733 nan 8.230 nan 0.000 0.604 221 M N 2.294 121.891 119.600 -0.005 0.000 2.371 221 M HA 0.351 4.831 4.480 0.001 0.000 0.287 221 M C -0.671 175.469 176.300 -0.266 0.000 1.149 221 M CA -0.463 54.765 55.300 -0.121 0.000 0.929 221 M CB 1.189 33.732 32.600 -0.095 0.000 1.683 221 M HN 0.741 nan 8.290 nan 0.000 0.470 222 K N 5.556 125.703 120.400 -0.422 0.000 2.349 222 K HA 0.398 4.719 4.320 0.001 0.000 0.288 222 K C -0.691 175.755 176.600 -0.257 0.000 1.058 222 K CA -0.300 55.680 56.287 -0.511 0.000 0.953 222 K CB 0.542 32.699 32.500 -0.571 0.000 0.997 222 K HN 0.746 nan 8.250 nan 0.000 0.477 223 M N 3.220 122.711 119.600 -0.182 0.000 2.228 223 M HA 0.148 4.629 4.480 0.001 0.000 0.351 223 M C -0.002 176.253 176.300 -0.076 0.000 1.233 223 M CA -0.750 54.490 55.300 -0.101 0.000 1.129 223 M CB 0.126 32.693 32.600 -0.056 0.000 1.604 223 M HN 0.527 nan 8.290 nan 0.000 0.457 224 N N 3.383 122.058 118.700 -0.042 0.000 2.263 224 N HA 0.046 4.787 4.740 0.001 0.000 0.239 224 N C 0.476 175.981 175.510 -0.007 0.000 1.317 224 N CA -0.530 52.507 53.050 -0.023 0.000 0.909 224 N CB 0.203 38.691 38.487 0.003 0.000 1.171 224 N HN 0.659 nan 8.380 nan 0.000 0.492 225 K N -0.392 120.007 120.400 -0.001 0.000 2.442 225 K HA -0.205 4.116 4.320 0.001 0.000 0.200 225 K C 0.210 176.818 176.600 0.013 0.000 1.045 225 K CA 1.310 57.600 56.287 0.006 0.000 0.937 225 K CB -0.492 32.012 32.500 0.007 0.000 0.757 225 K HN 0.886 nan 8.250 nan 0.000 0.474 226 E N 0.429 120.640 120.200 0.017 0.000 2.437 226 E HA 0.130 4.481 4.350 0.001 0.000 0.195 226 E C 0.580 177.175 176.600 -0.008 0.000 1.029 226 E CA 0.232 56.640 56.400 0.013 0.000 0.948 226 E CB -0.193 29.526 29.700 0.031 0.000 1.082 226 E HN 0.309 nan 8.360 nan 0.000 0.456 227 G N 1.597 110.393 108.800 -0.006 0.000 2.186 227 G HA2 -0.304 3.657 3.960 0.001 0.000 0.266 227 G HA3 -0.304 3.657 3.960 0.001 0.000 0.266 227 G C 0.388 175.257 174.900 -0.051 0.000 0.982 227 G CA 1.182 46.271 45.100 -0.018 0.000 0.670 227 G HN 0.297 nan 8.290 nan 0.000 0.533 228 M N -0.255 119.312 119.600 -0.055 0.000 2.706 228 M HA 0.719 5.200 4.480 0.001 0.000 0.304 228 M C 0.444 176.729 176.300 -0.026 0.000 1.217 228 M CA -0.917 54.317 55.300 -0.111 0.000 0.922 228 M CB 1.760 34.199 32.600 -0.267 0.000 1.637 228 M HN 0.508 nan 8.290 nan 0.000 0.492 229 V N -0.426 119.451 119.914 -0.061 0.000 2.925 229 V HA 0.594 4.715 4.120 0.001 0.000 0.311 229 V C -0.265 175.870 176.094 0.068 0.000 1.104 229 V CA -0.961 61.286 62.300 -0.089 0.000 0.954 229 V CB 2.429 34.050 31.823 -0.336 0.000 1.022 229 V HN 0.867 nan 8.190 nan 0.000 0.427 230 R N 1.447 121.932 120.500 -0.026 0.000 3.039 230 R HA 0.374 4.715 4.340 0.001 0.000 0.336 230 R C -0.125 176.129 176.300 -0.076 0.000 1.258 230 R CA -0.118 55.924 56.100 -0.097 0.000 1.125 230 R CB 0.490 30.617 30.300 -0.289 0.000 1.427 230 R HN 0.880 nan 8.270 nan 0.000 0.588 231 C N 0.323 119.581 119.300 -0.070 0.000 2.480 231 C HA 0.285 4.746 4.460 0.001 0.000 0.358 231 C C 0.478 175.526 174.990 0.097 0.000 1.309 231 C CA -0.003 59.014 59.018 -0.002 0.000 2.465 231 C CB 0.502 28.239 27.740 -0.005 0.000 2.379 231 C HN 0.544 nan 8.230 nan 0.000 0.642 232 D N 1.449 121.895 120.400 0.077 0.000 3.118 232 D HA 0.242 4.883 4.640 0.001 0.000 0.352 232 D C -1.021 175.310 176.300 0.051 0.000 1.498 232 D CA 0.158 54.203 54.000 0.076 0.000 0.759 232 D CB 0.687 41.511 40.800 0.041 0.000 1.251 232 D HN 0.622 nan 8.370 nan 0.000 0.504 233 T N 0.111 114.702 114.554 0.062 0.000 2.993 233 T HA 0.642 4.993 4.350 0.001 0.000 0.312 233 T C -0.367 174.358 174.700 0.042 0.000 1.115 233 T CA -0.609 61.513 62.100 0.038 0.000 1.027 233 T CB 2.199 71.085 68.868 0.030 0.000 1.116 233 T HN 0.080 nan 8.240 nan 0.000 0.464 234 A N 2.382 125.210 122.820 0.014 0.000 2.401 234 A HA 0.730 5.050 4.320 0.001 0.000 0.259 234 A C 0.299 177.884 177.584 0.002 0.000 1.103 234 A CA -0.404 51.632 52.037 -0.002 0.000 0.789 234 A CB -0.123 18.862 19.000 -0.025 0.000 1.035 234 A HN 1.102 nan 8.150 nan 0.000 0.491 235 V N 0.083 119.999 119.914 0.003 0.000 3.078 235 V HA 1.031 5.152 4.120 0.001 0.000 0.311 235 V C 0.363 176.449 176.094 -0.013 0.000 1.138 235 V CA 0.139 62.436 62.300 -0.005 0.000 1.007 235 V CB 1.073 32.899 31.823 0.005 0.000 1.045 235 V HN 2.510 nan 8.190 nan 0.000 0.432 236 G N 1.502 110.286 108.800 -0.027 0.000 2.217 236 G HA2 0.282 4.242 3.960 0.001 0.000 0.173 236 G HA3 0.282 4.242 3.960 0.001 0.000 0.173 236 G C -0.400 174.479 174.900 -0.035 0.000 1.324 236 G CA -0.001 45.083 45.100 -0.027 0.000 1.225 236 G HN 1.256 nan 8.290 nan 0.000 0.494 237 T N 3.132 117.686 114.554 -0.001 0.000 2.861 237 T HA 0.652 5.003 4.350 0.001 0.000 0.287 237 T C -1.197 173.573 174.700 0.118 0.000 1.003 237 T CA -0.461 61.667 62.100 0.047 0.000 0.977 237 T CB 2.739 71.637 68.868 0.050 0.000 0.996 237 T HN 0.363 nan 8.240 nan 0.000 0.448 238 P HA -0.148 nan 4.420 nan 0.000 0.213 238 P C 0.573 177.911 177.300 0.062 0.000 1.176 238 P CA 1.605 64.731 63.100 0.043 0.000 0.919 238 P CB 0.033 31.741 31.700 0.013 0.000 0.791 239 D N -2.355 118.101 120.400 0.093 0.000 2.411 239 D HA -0.143 4.498 4.640 0.001 0.000 0.226 239 D C 1.185 177.380 176.300 -0.175 0.000 0.988 239 D CA 0.985 54.966 54.000 -0.031 0.000 0.938 239 D CB -0.535 40.221 40.800 -0.073 0.000 0.883 239 D HN 0.412 nan 8.370 nan 0.000 0.525 240 Y N -0.515 119.826 120.300 0.067 0.000 2.701 240 Y HA 0.252 4.803 4.550 0.001 0.000 0.275 240 Y C 0.913 176.840 175.900 0.044 0.000 1.133 240 Y CA -0.966 57.205 58.100 0.117 0.000 1.241 240 Y CB 0.186 38.694 38.460 0.079 0.000 1.389 240 Y HN -0.143 nan 8.280 nan 0.000 0.486 241 I N 2.369 122.988 120.570 0.082 0.000 3.075 241 I HA -0.168 4.003 4.170 0.001 0.000 0.320 241 I C 0.686 176.558 176.117 -0.409 0.000 1.211 241 I CA 0.255 61.487 61.300 -0.114 0.000 1.463 241 I CB 0.493 38.420 38.000 -0.122 0.000 1.308 241 I HN 0.270 nan 8.210 nan 0.000 0.553 242 S N 6.401 121.740 115.700 -0.602 0.000 2.652 242 S HA 0.479 4.950 4.470 0.001 0.000 0.270 242 S C -1.802 172.213 174.600 -0.974 0.000 1.243 242 S CA -1.006 56.455 58.200 -1.233 0.000 0.999 242 S CB 1.184 63.819 63.200 -0.943 0.000 0.973 242 S HN 0.547 nan 8.310 nan 0.000 0.544 243 P HA -0.186 nan 4.420 nan 0.000 0.215 243 P C 1.599 178.575 177.300 -0.539 0.000 1.157 243 P CA 1.445 64.073 63.100 -0.788 0.000 0.874 243 P CB -0.081 31.102 31.700 -0.862 0.000 0.790 244 E N -0.236 119.642 120.200 -0.536 0.000 2.268 244 E HA -0.086 4.265 4.350 0.001 0.000 0.195 244 E C 1.691 177.957 176.600 -0.557 0.000 0.995 244 E CA 1.190 57.313 56.400 -0.462 0.000 0.836 244 E CB -1.239 28.197 29.700 -0.440 0.000 0.763 244 E HN 0.136 nan 8.360 nan 0.000 0.491 245 V N 0.747 120.314 119.914 -0.579 0.000 2.871 245 V HA -0.135 3.986 4.120 0.001 0.000 0.256 245 V C 2.141 178.079 176.094 -0.261 0.000 1.082 245 V CA 0.764 62.781 62.300 -0.472 0.000 1.105 245 V CB -0.384 31.226 31.823 -0.356 0.000 0.713 245 V HN 0.111 nan 8.190 nan 0.000 0.473 246 L N -0.167 120.902 121.223 -0.256 0.000 2.162 246 L HA 0.082 4.423 4.340 0.001 0.000 0.205 246 L C 2.113 178.939 176.870 -0.074 0.000 1.086 246 L CA 1.562 56.327 54.840 -0.126 0.000 0.778 246 L CB -0.594 41.391 42.059 -0.123 0.000 0.928 246 L HN 0.220 nan 8.230 nan 0.000 0.446 247 K N -1.305 119.017 120.400 -0.130 0.000 2.525 247 K HA 0.009 4.330 4.320 0.001 0.000 0.192 247 K C 2.095 178.659 176.600 -0.059 0.000 1.029 247 K CA 0.432 56.672 56.287 -0.079 0.000 1.029 247 K CB -0.064 32.375 32.500 -0.102 0.000 0.814 247 K HN 0.085 nan 8.250 nan 0.000 0.503 248 S N 0.935 116.588 115.700 -0.078 0.000 2.419 248 S HA -0.158 4.313 4.470 0.001 0.000 0.235 248 S C 1.076 175.687 174.600 0.019 0.000 1.019 248 S CA 1.122 59.313 58.200 -0.015 0.000 0.982 248 S CB 0.024 63.226 63.200 0.004 0.000 0.789 248 S HN 0.295 nan 8.310 nan 0.000 0.490 255 Y N 2.302 122.586 120.300 -0.028 0.000 2.877 255 Y HA 0.941 5.492 4.550 0.001 0.000 0.295 255 Y C -0.324 175.500 175.900 -0.125 0.000 1.701 255 Y CA -1.083 56.930 58.100 -0.144 0.000 1.084 255 Y CB 0.200 38.616 38.460 -0.073 0.000 2.790 255 Y HN 0.680 nan 8.280 nan 0.000 0.364 256 G N -0.357 108.489 108.800 0.077 0.000 2.731 256 G HA2 0.415 4.376 3.960 0.001 0.000 0.309 256 G HA3 0.415 4.376 3.960 0.001 0.000 0.309 256 G C -0.472 174.448 174.900 0.034 0.000 1.273 256 G CA -0.542 44.544 45.100 -0.024 0.000 0.798 256 G HN 0.913 nan 8.290 nan 0.000 0.509 257 R N 0.041 120.503 120.500 -0.062 0.000 2.189 257 R HA -0.014 4.327 4.340 0.001 0.000 0.223 257 R C 1.786 177.950 176.300 -0.226 0.000 1.092 257 R CA 1.935 57.908 56.100 -0.212 0.000 0.989 257 R CB -0.405 29.514 30.300 -0.635 0.000 0.876 257 R HN 0.585 nan 8.270 nan 0.000 0.457 258 E N 1.728 121.916 120.200 -0.021 0.000 2.219 258 E HA -0.267 4.084 4.350 0.001 0.000 0.198 258 E C 2.001 178.662 176.600 0.102 0.000 0.998 258 E CA 1.617 58.103 56.400 0.144 0.000 0.818 258 E CB -0.660 29.148 29.700 0.179 0.000 0.741 258 E HN 0.674 nan 8.360 nan 0.000 0.477 259 C N 0.432 119.759 119.300 0.045 0.000 2.448 259 C HA 0.060 4.521 4.460 0.001 0.000 0.280 259 C C 2.041 177.039 174.990 0.014 0.000 1.398 259 C CA 0.364 59.406 59.018 0.040 0.000 1.774 259 C CB -0.414 27.324 27.740 -0.004 0.000 1.888 259 C HN 0.129 nan 8.230 nan 0.000 0.519 260 D N 0.143 120.465 120.400 -0.131 0.000 2.269 260 D HA -0.046 4.594 4.640 0.001 0.000 0.208 260 D C 1.798 177.909 176.300 -0.315 0.000 0.963 260 D CA 1.148 55.001 54.000 -0.245 0.000 0.864 260 D CB -0.309 40.298 40.800 -0.322 0.000 0.936 260 D HN 0.806 nan 8.370 nan 0.000 0.505 261 W N 0.312 121.560 121.300 -0.086 0.000 2.443 261 W HA -0.057 4.603 4.660 0.001 0.000 0.296 261 W C 2.360 178.541 176.519 -0.564 0.000 1.202 261 W CA -0.489 56.578 57.345 -0.464 0.000 1.312 261 W CB -0.500 28.668 29.460 -0.487 0.000 1.120 261 W HN 0.025 nan 8.180 nan 0.000 0.536 262 W N 1.927 123.154 121.300 -0.121 0.000 2.304 262 W HA -0.294 4.366 4.660 0.001 0.000 0.315 262 W C 1.815 178.325 176.519 -0.015 0.000 1.233 262 W CA 2.534 59.848 57.345 -0.051 0.000 1.261 262 W CB -1.016 28.419 29.460 -0.042 0.000 1.150 262 W HN -0.189 nan 8.180 nan 0.000 0.494 263 S N 0.866 116.769 115.700 0.339 0.000 2.383 263 S HA -0.197 4.273 4.470 0.001 0.000 0.229 263 S C 1.920 176.649 174.600 0.215 0.000 1.030 263 S CA 1.786 60.179 58.200 0.321 0.000 1.002 263 S CB -0.864 62.440 63.200 0.174 0.000 0.829 263 S HN 0.165 nan 8.310 nan 0.000 0.467 264 V N 1.977 121.939 119.914 0.079 0.000 2.282 264 V HA -0.212 3.909 4.120 0.001 0.000 0.249 264 V C 2.693 178.964 176.094 0.296 0.000 1.057 264 V CA 2.036 64.444 62.300 0.181 0.000 1.032 264 V CB -1.659 30.227 31.823 0.106 0.000 0.645 264 V HN 0.599 nan 8.190 nan 0.000 0.447 265 G N -0.075 108.842 108.800 0.196 0.000 2.440 265 G HA2 -0.213 3.748 3.960 0.001 0.000 0.218 265 G HA3 -0.213 3.748 3.960 0.001 0.000 0.218 265 G C 1.609 176.604 174.900 0.157 0.000 1.154 265 G CA 1.300 46.566 45.100 0.276 0.000 0.767 265 G HN 0.438 nan 8.290 nan 0.000 0.552 266 V N 0.217 120.200 119.914 0.115 0.000 2.515 266 V HA -0.086 4.035 4.120 0.001 0.000 0.250 266 V C 2.284 178.593 176.094 0.358 0.000 1.058 266 V CA 1.430 63.821 62.300 0.152 0.000 1.064 266 V CB -0.620 31.303 31.823 0.166 0.000 0.675 266 V HN 0.315 nan 8.190 nan 0.000 0.461 267 F N 0.895 121.017 119.950 0.287 0.000 2.074 267 F HA -0.086 4.442 4.527 0.001 0.000 0.293 267 F C 2.114 178.062 175.800 0.247 0.000 1.116 267 F CA 1.549 59.729 58.000 0.301 0.000 1.212 267 F CB -0.740 38.406 39.000 0.243 0.000 0.998 267 F HN 0.131 nan 8.300 nan 0.000 0.471 268 L N -0.052 121.278 121.223 0.178 0.000 2.051 268 L HA -0.275 4.066 4.340 0.001 0.000 0.214 268 L C 2.206 179.083 176.870 0.012 0.000 1.076 268 L CA 2.178 57.032 54.840 0.024 0.000 0.758 268 L CB -1.548 40.545 42.059 0.058 0.000 0.890 268 L HN 0.376 nan 8.230 nan 0.000 0.433 269 Y N 0.531 120.813 120.300 -0.029 0.000 2.036 269 Y HA -0.314 4.236 4.550 0.001 0.000 0.273 269 Y C 2.762 178.630 175.900 -0.053 0.000 1.135 269 Y CA 2.407 60.463 58.100 -0.073 0.000 1.106 269 Y CB -0.401 37.982 38.460 -0.129 0.000 0.976 269 Y HN 0.415 nan 8.280 nan 0.000 0.483 270 E N 0.035 120.409 120.200 0.290 0.000 2.209 270 E HA -0.314 4.037 4.350 0.001 0.000 0.196 270 E C 2.216 178.850 176.600 0.057 0.000 0.993 270 E CA 1.395 57.916 56.400 0.202 0.000 0.819 270 E CB -0.234 29.624 29.700 0.263 0.000 0.745 270 E HN 0.656 nan 8.360 nan 0.000 0.477 271 M N 0.143 119.725 119.600 -0.030 0.000 2.067 271 M HA -0.178 4.303 4.480 0.001 0.000 0.260 271 M C 1.976 178.245 176.300 -0.052 0.000 1.069 271 M CA 1.491 56.733 55.300 -0.096 0.000 1.117 271 M CB 0.028 32.446 32.600 -0.303 0.000 1.334 271 M HN 0.131 nan 8.290 nan 0.000 0.407 272 L N -0.761 120.407 121.223 -0.092 0.000 2.007 272 L HA -0.121 4.220 4.340 0.001 0.000 0.205 272 L C 2.228 179.012 176.870 -0.145 0.000 1.073 272 L CA 0.806 55.588 54.840 -0.098 0.000 0.744 272 L CB -0.985 41.006 42.059 -0.114 0.000 0.898 272 L HN 0.191 nan 8.230 nan 0.000 0.435 273 V N -0.242 119.509 119.914 -0.272 0.000 2.271 273 V HA -0.113 4.008 4.120 0.001 0.000 0.221 273 V C 1.779 177.799 176.094 -0.124 0.000 0.991 273 V CA 2.011 64.136 62.300 -0.291 0.000 1.008 273 V CB -0.931 30.535 31.823 -0.595 0.000 0.653 273 V HN 0.640 nan 8.190 nan 0.000 0.473 274 G N -1.889 106.874 108.800 -0.061 0.000 4.103 274 G HA2 0.084 4.045 3.960 0.001 0.000 0.163 274 G HA3 0.084 4.045 3.960 0.001 0.000 0.163 274 G C -0.480 174.444 174.900 0.039 0.000 0.840 274 G CA 0.164 45.259 45.100 -0.008 0.000 0.905 274 G HN 0.475 nan 8.290 nan 0.000 0.377 275 D N 0.860 121.299 120.400 0.065 0.000 2.552 275 D HA 0.539 5.180 4.640 0.001 0.000 0.239 275 D C 0.359 176.790 176.300 0.218 0.000 1.139 275 D CA 0.223 54.290 54.000 0.112 0.000 0.914 275 D CB 1.643 42.429 40.800 -0.023 0.000 1.461 275 D HN 0.236 nan 8.370 nan 0.000 0.462 276 T N -1.096 113.559 114.554 0.169 0.000 2.939 276 T HA 0.098 4.448 4.350 0.001 0.000 0.319 276 T C -1.758 172.832 174.700 -0.184 0.000 1.082 276 T CA -0.777 61.340 62.100 0.028 0.000 1.133 276 T CB 0.527 69.380 68.868 -0.024 0.000 1.019 276 T HN 0.156 nan 8.240 nan 0.000 0.548 277 P HA 0.210 nan 4.420 nan 0.000 0.258 277 P C -0.310 176.297 177.300 -1.155 0.000 1.403 277 P CA 0.136 62.403 63.100 -1.390 0.000 0.826 277 P CB -0.502 30.078 31.700 -1.867 0.000 1.414 278 F N -3.290 116.525 119.950 -0.226 0.000 2.988 278 F HA 0.193 4.721 4.527 0.001 0.000 0.333 278 F C 0.704 176.497 175.800 -0.011 0.000 1.243 278 F CA -0.959 56.984 58.000 -0.094 0.000 1.041 278 F CB -0.476 38.484 39.000 -0.067 0.000 1.354 278 F HN -0.220 nan 8.300 nan 0.000 0.505 279 Y N 2.757 123.058 120.300 0.003 0.000 2.986 279 Y HA 0.258 4.809 4.550 0.001 0.000 0.342 279 Y C 0.096 176.014 175.900 0.031 0.000 1.275 279 Y CA 0.229 58.339 58.100 0.017 0.000 1.527 279 Y CB 0.445 38.905 38.460 0.001 0.000 1.296 279 Y HN 0.157 nan 8.280 nan 0.000 0.628 280 A N 5.181 127.731 122.820 -0.450 0.000 2.517 280 A HA 0.248 4.568 4.320 0.001 0.000 0.297 280 A C 0.146 177.526 177.584 -0.339 0.000 1.050 280 A CA -0.428 51.506 52.037 -0.172 0.000 0.694 280 A CB 0.944 19.904 19.000 -0.068 0.000 1.277 280 A HN 0.839 nan 8.150 nan 0.000 0.400 281 D N 0.903 121.306 120.400 0.004 0.000 2.158 281 D HA -0.089 4.552 4.640 0.001 0.000 0.197 281 D C 0.602 176.873 176.300 -0.048 0.000 0.995 281 D CA 1.966 55.985 54.000 0.032 0.000 0.846 281 D CB 0.305 41.160 40.800 0.092 0.000 0.941 281 D HN 0.368 nan 8.370 nan 0.000 0.456 282 S N -0.166 115.508 115.700 -0.044 0.000 2.532 282 S HA 0.280 4.751 4.470 0.001 0.000 0.318 282 S C 1.395 175.958 174.600 -0.061 0.000 1.083 282 S CA -0.660 57.514 58.200 -0.043 0.000 1.131 282 S CB 0.435 63.627 63.200 -0.012 0.000 0.973 282 S HN 0.027 nan 8.310 nan 0.000 0.468 283 L N 4.559 125.728 121.223 -0.089 0.000 2.064 283 L HA -0.214 4.127 4.340 0.001 0.000 0.216 283 L C 2.362 179.217 176.870 -0.025 0.000 1.077 283 L CA 1.427 56.219 54.840 -0.081 0.000 0.766 283 L CB -1.100 40.915 42.059 -0.073 0.000 0.890 283 L HN 0.531 nan 8.230 nan 0.000 0.435 284 V N 0.650 120.553 119.914 -0.019 0.000 2.280 284 V HA -0.381 3.740 4.120 0.001 0.000 0.258 284 V C 2.611 178.740 176.094 0.058 0.000 1.081 284 V CA 2.326 64.626 62.300 -0.001 0.000 1.070 284 V CB -1.603 30.209 31.823 -0.018 0.000 0.666 284 V HN 0.664 nan 8.190 nan 0.000 0.450 285 G N -0.695 108.134 108.800 0.048 0.000 2.421 285 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 285 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 285 G C 1.578 176.536 174.900 0.097 0.000 1.171 285 G CA 1.388 46.535 45.100 0.079 0.000 0.775 285 G HN 0.505 nan 8.290 nan 0.000 0.543 286 T N 0.268 114.858 114.554 0.061 0.000 2.792 286 T HA -0.315 4.036 4.350 0.001 0.000 0.268 286 T C 1.839 176.558 174.700 0.032 0.000 1.059 286 T CA 1.587 63.722 62.100 0.057 0.000 1.136 286 T CB -0.391 68.484 68.868 0.010 0.000 0.846 286 T HN 0.506 nan 8.240 nan 0.000 0.489 287 Y N 2.292 122.559 120.300 -0.055 0.000 2.089 287 Y HA -0.186 4.364 4.550 0.001 0.000 0.282 287 Y C 2.584 178.441 175.900 -0.073 0.000 1.139 287 Y CA 1.702 59.752 58.100 -0.083 0.000 1.123 287 Y CB -0.652 37.767 38.460 -0.068 0.000 0.980 287 Y HN 0.116 nan 8.280 nan 0.000 0.493 288 S N 1.010 116.629 115.700 -0.134 0.000 2.402 288 S HA -0.144 4.326 4.470 0.001 0.000 0.229 288 S C 1.834 176.368 174.600 -0.110 0.000 1.021 288 S CA 1.010 59.076 58.200 -0.224 0.000 0.974 288 S CB -0.247 62.991 63.200 0.063 0.000 0.800 288 S HN 0.395 nan 8.310 nan 0.000 0.484 289 K N 1.297 121.704 120.400 0.012 0.000 2.000 289 K HA -0.151 4.170 4.320 0.001 0.000 0.218 289 K C 1.971 178.652 176.600 0.135 0.000 1.053 289 K CA 1.593 57.990 56.287 0.184 0.000 0.946 289 K CB -0.729 31.964 32.500 0.322 0.000 0.723 289 K HN 0.374 nan 8.250 nan 0.000 0.446 290 I N 1.127 121.518 120.570 -0.298 0.000 2.264 290 I HA -0.286 3.885 4.170 0.001 0.000 0.248 290 I C 2.494 178.398 176.117 -0.354 0.000 1.111 290 I CA 0.952 61.807 61.300 -0.742 0.000 1.382 290 I CB -0.273 37.258 38.000 -0.783 0.000 1.060 290 I HN 0.211 nan 8.210 nan 0.000 0.418 291 M N 0.207 119.609 119.600 -0.331 0.000 2.213 291 M HA -0.163 4.318 4.480 0.001 0.000 0.263 291 M C 0.799 177.139 176.300 0.067 0.000 1.062 291 M CA 1.663 56.826 55.300 -0.229 0.000 1.105 291 M CB -1.393 30.966 32.600 -0.402 0.000 1.385 291 M HN 0.315 nan 8.290 nan 0.000 0.417 292 N N 0.630 119.378 118.700 0.081 0.000 2.575 292 N HA 0.014 4.755 4.740 0.001 0.000 0.275 292 N C 1.073 176.711 175.510 0.213 0.000 1.202 292 N CA -0.252 52.865 53.050 0.112 0.000 0.945 292 N CB 0.017 38.541 38.487 0.062 0.000 1.247 292 N HN 0.355 nan 8.380 nan 0.000 0.510 293 H N 0.749 119.947 119.070 0.215 0.000 2.357 293 H HA -0.173 4.384 4.556 0.001 0.000 0.296 293 H C 1.183 176.675 175.328 0.273 0.000 1.108 293 H CA 1.300 57.607 56.048 0.433 0.000 1.273 293 H CB -0.268 29.838 29.762 0.573 0.000 1.367 293 H HN 0.215 nan 8.280 nan 0.000 0.498 294 K N 0.832 121.002 120.400 -0.383 0.000 2.015 294 K HA -0.187 4.133 4.320 0.001 0.000 0.216 294 K C 2.209 178.780 176.600 -0.048 0.000 1.052 294 K CA 2.162 58.310 56.287 -0.231 0.000 0.937 294 K CB -0.162 32.166 32.500 -0.288 0.000 0.719 294 K HN 0.544 nan 8.250 nan 0.000 0.446 295 N N -0.108 118.579 118.700 -0.021 0.000 2.202 295 N HA -0.113 4.628 4.740 0.001 0.000 0.191 295 N C 1.829 177.354 175.510 0.025 0.000 1.054 295 N CA 0.706 53.761 53.050 0.009 0.000 0.877 295 N CB -0.326 38.168 38.487 0.012 0.000 1.057 295 N HN 0.016 nan 8.380 nan 0.000 0.456 296 S N 0.973 116.710 115.700 0.061 0.000 2.441 296 S HA -0.223 4.247 4.470 0.001 0.000 0.249 296 S C 0.822 175.353 174.600 -0.115 0.000 1.097 296 S CA 0.767 58.993 58.200 0.043 0.000 1.080 296 S CB -0.657 62.670 63.200 0.212 0.000 0.914 296 S HN 0.258 nan 8.310 nan 0.000 0.464 297 L N 3.867 125.014 121.223 -0.127 0.000 2.865 297 L HA 0.118 4.459 4.340 0.001 0.000 0.283 297 L C 0.914 177.666 176.870 -0.198 0.000 1.101 297 L CA 0.894 55.557 54.840 -0.296 0.000 1.061 297 L CB -1.005 40.989 42.059 -0.109 0.000 1.437 297 L HN 0.501 nan 8.230 nan 0.000 0.460 298 T N 1.529 115.904 114.554 -0.298 0.000 2.833 298 T HA 0.644 4.995 4.350 0.001 0.000 0.292 298 T C -0.222 174.396 174.700 -0.136 0.000 1.031 298 T CA -0.389 61.636 62.100 -0.125 0.000 0.937 298 T CB 0.904 69.708 68.868 -0.106 0.000 1.256 298 T HN 0.313 nan 8.240 nan 0.000 0.551 299 F N 0.072 120.032 119.950 0.017 0.000 2.662 299 F HA 0.413 4.941 4.527 0.001 0.000 0.319 299 F C -2.217 173.578 175.800 -0.009 0.000 1.079 299 F CA -1.395 56.622 58.000 0.028 0.000 1.062 299 F CB 0.864 39.866 39.000 0.003 0.000 1.299 299 F HN 0.668 nan 8.300 nan 0.000 0.487 305 I N 0.142 120.680 120.570 -0.054 0.000 4.274 305 I HA 0.300 4.471 4.170 0.001 0.000 0.246 305 I C 0.401 176.506 176.117 -0.019 0.000 1.052 305 I CA 0.421 61.702 61.300 -0.032 0.000 1.840 305 I CB -0.401 37.586 38.000 -0.021 0.000 1.576 305 I HN -0.194 nan 8.210 nan 0.000 0.451 306 S N 0.631 116.326 115.700 -0.008 0.000 2.566 306 S HA 0.354 4.825 4.470 0.001 0.000 0.298 306 S C 0.653 175.238 174.600 -0.024 0.000 1.083 306 S CA -0.567 57.643 58.200 0.017 0.000 0.978 306 S CB 3.044 66.317 63.200 0.121 0.000 1.073 306 S HN 0.176 nan 8.310 nan 0.000 0.491 307 K N 0.842 121.230 120.400 -0.020 0.000 2.228 307 K HA 0.024 4.344 4.320 0.001 0.000 0.202 307 K C 1.018 177.611 176.600 -0.011 0.000 1.051 307 K CA 0.947 57.209 56.287 -0.042 0.000 0.960 307 K CB 0.104 32.579 32.500 -0.042 0.000 0.743 307 K HN 0.398 nan 8.250 nan 0.000 0.458 308 E N 0.619 120.853 120.200 0.058 0.000 2.072 308 E HA -0.079 4.272 4.350 0.001 0.000 0.190 308 E C 1.874 178.512 176.600 0.063 0.000 0.982 308 E CA 1.022 57.507 56.400 0.143 0.000 0.803 308 E CB -0.331 29.528 29.700 0.265 0.000 0.755 308 E HN 0.365 nan 8.360 nan 0.000 0.453 309 A N 2.162 124.992 122.820 0.016 0.000 1.849 309 A HA -0.274 4.047 4.320 0.001 0.000 0.217 309 A C 2.091 179.498 177.584 -0.294 0.000 1.202 309 A CA 2.164 53.962 52.037 -0.398 0.000 0.629 309 A CB -0.533 18.383 19.000 -0.141 0.000 0.834 309 A HN 0.181 nan 8.150 nan 0.000 0.447 310 K N -0.491 119.824 120.400 -0.141 0.000 2.020 310 K HA -0.217 4.104 4.320 0.001 0.000 0.212 310 K C 1.808 178.347 176.600 -0.103 0.000 1.050 310 K CA 1.848 58.070 56.287 -0.109 0.000 0.929 310 K CB -0.448 31.918 32.500 -0.224 0.000 0.714 310 K HN 0.476 nan 8.250 nan 0.000 0.443 311 N N 1.013 119.667 118.700 -0.076 0.000 2.272 311 N HA -0.141 4.599 4.740 0.001 0.000 0.185 311 N C 1.589 177.014 175.510 -0.142 0.000 1.014 311 N CA 0.670 53.716 53.050 -0.007 0.000 0.870 311 N CB -0.057 38.508 38.487 0.131 0.000 0.975 311 N HN 0.149 nan 8.380 nan 0.000 0.433 312 L N 0.233 121.260 121.223 -0.326 0.000 1.982 312 L HA -0.051 4.290 4.340 0.001 0.000 0.206 312 L C 1.833 178.381 176.870 -0.538 0.000 1.078 312 L CA 0.962 55.389 54.840 -0.687 0.000 0.749 312 L CB -0.359 41.241 42.059 -0.766 0.000 0.894 312 L HN 0.125 nan 8.230 nan 0.000 0.436 313 I N 0.270 120.647 120.570 -0.320 0.000 2.094 313 I HA -0.455 3.715 4.170 0.001 0.000 0.236 313 I C 2.041 178.113 176.117 -0.075 0.000 1.016 313 I CA 1.877 63.112 61.300 -0.109 0.000 1.294 313 I CB -0.554 37.485 38.000 0.065 0.000 1.006 313 I HN 0.474 nan 8.210 nan 0.000 0.397 314 C N 1.259 120.549 119.300 -0.018 0.000 2.399 314 C HA 0.280 4.741 4.460 0.001 0.000 0.348 314 C C 1.968 176.939 174.990 -0.031 0.000 1.318 314 C CA 0.386 59.414 59.018 0.016 0.000 1.621 314 C CB -2.030 25.762 27.740 0.086 0.000 1.683 314 C HN 0.562 nan 8.230 nan 0.000 0.595 315 A N -1.582 121.161 122.820 -0.128 0.000 2.287 315 A HA 0.369 4.690 4.320 0.001 0.000 0.214 315 A C 1.491 179.052 177.584 -0.039 0.000 1.228 315 A CA 0.101 52.055 52.037 -0.138 0.000 0.939 315 A CB -0.184 18.627 19.000 -0.315 0.000 0.992 315 A HN 0.488 nan 8.150 nan 0.000 0.502 316 F N -0.480 119.403 119.950 -0.112 0.000 2.220 316 F HA 0.086 4.614 4.527 0.001 0.000 0.290 316 F C 1.016 176.684 175.800 -0.220 0.000 1.080 316 F CA 0.191 58.133 58.000 -0.098 0.000 1.318 316 F CB 0.210 39.138 39.000 -0.121 0.000 1.063 316 F HN 0.052 nan 8.300 nan 0.000 0.498 317 L N 1.563 122.655 121.223 -0.218 0.000 2.855 317 L HA 0.005 4.346 4.340 0.001 0.000 0.257 317 L C 0.785 177.671 176.870 0.026 0.000 1.206 317 L CA 0.528 54.961 54.840 -0.679 0.000 1.042 317 L CB -2.009 39.772 42.059 -0.464 0.000 1.321 317 L HN 0.050 nan 8.230 nan 0.000 0.417 318 T N -5.467 109.223 114.554 0.227 0.000 2.912 318 T HA 0.367 4.717 4.350 0.001 0.000 0.280 318 T C -0.014 174.979 174.700 0.488 0.000 0.989 318 T CA -0.988 61.340 62.100 0.381 0.000 0.995 318 T CB 1.394 70.397 68.868 0.224 0.000 1.077 318 T HN -0.017 nan 8.240 nan 0.000 0.531 319 D N -0.294 120.392 120.400 0.476 0.000 2.455 319 D HA 0.120 4.761 4.640 0.001 0.000 0.241 319 D C 1.531 177.946 176.300 0.192 0.000 1.138 319 D CA -0.128 54.074 54.000 0.337 0.000 0.877 319 D CB 0.809 41.817 40.800 0.346 0.000 1.187 319 D HN 0.660 nan 8.370 nan 0.000 0.451 320 R N 2.275 122.830 120.500 0.092 0.000 2.159 320 R HA -0.249 4.092 4.340 0.001 0.000 0.249 320 R C 1.219 177.575 176.300 0.094 0.000 1.136 320 R CA 1.860 58.007 56.100 0.077 0.000 0.951 320 R CB -0.148 30.142 30.300 -0.018 0.000 0.876 320 R HN 0.561 nan 8.270 nan 0.000 0.440 321 E N 0.082 120.326 120.200 0.073 0.000 2.463 321 E HA -0.097 4.254 4.350 0.001 0.000 0.201 321 E C 0.580 177.229 176.600 0.083 0.000 1.045 321 E CA 0.661 57.100 56.400 0.065 0.000 0.872 321 E CB -0.088 29.643 29.700 0.052 0.000 0.797 321 E HN 0.264 nan 8.360 nan 0.000 0.538 322 V N 0.563 120.543 119.914 0.111 0.000 2.670 322 V HA 0.347 4.467 4.120 0.001 0.000 0.258 322 V C -1.215 174.968 176.094 0.149 0.000 0.906 322 V CA -0.646 61.722 62.300 0.114 0.000 0.887 322 V CB 0.452 32.336 31.823 0.102 0.000 1.059 322 V HN 0.070 nan 8.190 nan 0.000 0.484 323 R N 3.594 124.194 120.500 0.167 0.000 2.686 323 R HA 0.582 4.923 4.340 0.001 0.000 0.283 323 R C -0.966 175.461 176.300 0.212 0.000 0.978 323 R CA -1.055 55.181 56.100 0.227 0.000 0.897 323 R CB 1.879 32.359 30.300 0.299 0.000 1.192 323 R HN 0.575 nan 8.270 nan 0.000 0.457 324 L N 4.261 125.608 121.223 0.207 0.000 2.780 324 L HA 0.100 4.441 4.340 0.001 0.000 0.275 324 L C 0.874 177.834 176.870 0.150 0.000 1.153 324 L CA 2.293 57.189 54.840 0.094 0.000 0.993 324 L CB 0.216 42.155 42.059 -0.199 0.000 1.319 324 L HN 0.981 nan 8.230 nan 0.000 0.479 325 G N 3.341 112.182 108.800 0.067 0.000 2.154 325 G HA2 -0.253 3.708 3.960 0.001 0.000 0.186 325 G HA3 -0.253 3.708 3.960 0.001 0.000 0.186 325 G C 1.284 176.259 174.900 0.126 0.000 1.000 325 G CA 0.331 45.447 45.100 0.026 0.000 0.664 325 G HN 0.667 nan 8.290 nan 0.000 0.513 326 R N 0.641 121.220 120.500 0.132 0.000 2.191 326 R HA -0.250 4.091 4.340 0.001 0.000 0.248 326 R C 1.073 177.430 176.300 0.095 0.000 1.127 326 R CA 2.613 58.784 56.100 0.118 0.000 0.943 326 R CB -0.256 30.099 30.300 0.091 0.000 0.891 326 R HN 0.779 nan 8.270 nan 0.000 0.439 327 N N -2.323 116.422 118.700 0.076 0.000 2.235 327 N HA 0.393 5.134 4.740 0.001 0.000 0.293 327 N C -1.184 174.360 175.510 0.056 0.000 1.083 327 N CA -0.105 52.983 53.050 0.064 0.000 0.801 327 N CB 2.201 40.717 38.487 0.049 0.000 1.559 327 N HN 0.278 nan 8.380 nan 0.000 0.472 328 G N -0.229 108.606 108.800 0.057 0.000 3.273 328 G HA2 -0.168 3.793 3.960 0.001 0.000 0.325 328 G HA3 -0.168 3.793 3.960 0.001 0.000 0.325 328 G C 0.195 175.111 174.900 0.027 0.000 0.960 328 G CA -0.162 44.964 45.100 0.044 0.000 0.808 328 G HN 1.152 nan 8.290 nan 0.000 0.387 329 V N 2.398 122.327 119.914 0.024 0.000 3.510 329 V HA 0.036 4.157 4.120 0.001 0.000 0.270 329 V C 2.136 178.175 176.094 -0.092 0.000 1.201 329 V CA 2.113 64.383 62.300 -0.049 0.000 1.166 329 V CB -0.025 31.812 31.823 0.024 0.000 0.825 329 V HN 0.730 nan 8.190 nan 0.000 0.484 330 E N 1.159 121.333 120.200 -0.044 0.000 2.106 330 E HA -0.229 4.121 4.350 0.001 0.000 0.192 330 E C 2.084 178.702 176.600 0.030 0.000 0.984 330 E CA 1.671 58.049 56.400 -0.037 0.000 0.806 330 E CB -0.201 29.498 29.700 -0.001 0.000 0.750 330 E HN 0.980 nan 8.360 nan 0.000 0.458 331 E N 0.739 120.963 120.200 0.039 0.000 2.153 331 E HA -0.156 4.195 4.350 0.001 0.000 0.194 331 E C 2.204 178.877 176.600 0.121 0.000 0.988 331 E CA 0.956 57.404 56.400 0.080 0.000 0.811 331 E CB -0.492 29.245 29.700 0.062 0.000 0.746 331 E HN 0.253 nan 8.360 nan 0.000 0.466 332 I N 1.270 121.873 120.570 0.056 0.000 2.315 332 I HA -0.215 3.956 4.170 0.001 0.000 0.248 332 I C 2.545 178.921 176.117 0.432 0.000 1.117 332 I CA 1.159 62.520 61.300 0.102 0.000 1.404 332 I CB -0.293 37.656 38.000 -0.085 0.000 1.071 332 I HN 0.076 nan 8.210 nan 0.000 0.419 333 K N 0.973 121.554 120.400 0.303 0.000 1.985 333 K HA -0.114 4.207 4.320 0.001 0.000 0.210 333 K C 1.503 178.590 176.600 0.812 0.000 1.047 333 K CA 1.255 57.874 56.287 0.554 0.000 0.932 333 K CB -0.170 32.276 32.500 -0.090 0.000 0.716 333 K HN 0.205 nan 8.250 nan 0.000 0.439 334 R N 1.164 121.936 120.500 0.454 0.000 4.054 334 R HA 0.020 4.361 4.340 0.001 0.000 0.227 334 R C -0.436 176.027 176.300 0.272 0.000 1.902 334 R CA -0.051 56.250 56.100 0.334 0.000 1.590 334 R CB -0.437 29.984 30.300 0.201 0.000 1.245 334 R HN 0.215 nan 8.270 nan 0.000 0.647 335 H N -0.640 118.582 119.070 0.253 0.000 2.457 335 H HA 0.119 4.676 4.556 0.001 0.000 0.335 335 H C 1.144 176.507 175.328 0.059 0.000 1.115 335 H CA -0.473 55.625 56.048 0.083 0.000 1.219 335 H CB 1.183 30.923 29.762 -0.037 0.000 1.471 335 H HN 0.039 nan 8.280 nan 0.000 0.491 336 L N 3.852 124.962 121.223 -0.189 0.000 2.137 336 L HA -0.243 4.097 4.340 0.001 0.000 0.213 336 L C 1.778 178.660 176.870 0.021 0.000 1.085 336 L CA 1.228 56.021 54.840 -0.078 0.000 0.760 336 L CB -0.355 41.615 42.059 -0.148 0.000 0.893 336 L HN 0.691 nan 8.230 nan 0.000 0.434 337 F N 0.090 119.988 119.950 -0.087 0.000 2.184 337 F HA -0.316 4.211 4.527 0.001 0.000 0.301 337 F C 1.848 177.581 175.800 -0.111 0.000 1.076 337 F CA 1.681 59.589 58.000 -0.153 0.000 1.295 337 F CB -0.439 38.392 39.000 -0.280 0.000 1.026 337 F HN -0.001 nan 8.300 nan 0.000 0.494 338 F N -0.026 119.926 119.950 0.003 0.000 2.512 338 F HA 0.027 4.555 4.527 0.001 0.000 0.296 338 F C 1.269 176.847 175.800 -0.370 0.000 1.110 338 F CA -0.068 57.830 58.000 -0.171 0.000 1.446 338 F CB -0.413 38.592 39.000 0.007 0.000 1.092 338 F HN -0.341 nan 8.300 nan 0.000 0.554 339 K N 2.494 122.836 120.400 -0.096 0.000 2.440 339 K HA -0.092 4.229 4.320 0.001 0.000 0.275 339 K C -0.428 175.999 176.600 -0.288 0.000 1.082 339 K CA 0.470 56.646 56.287 -0.186 0.000 1.135 339 K CB -0.184 32.246 32.500 -0.116 0.000 0.864 339 K HN 0.445 nan 8.250 nan 0.000 0.479 340 N N 1.113 119.573 118.700 -0.400 0.000 3.308 340 N HA 0.238 4.979 4.740 0.001 0.000 0.276 340 N C -2.158 173.101 175.510 -0.417 0.000 1.533 340 N CA -0.901 51.891 53.050 -0.430 0.000 0.878 340 N CB 1.092 39.219 38.487 -0.601 0.000 1.566 340 N HN 0.303 nan 8.380 nan 0.000 0.546 341 D N -1.719 118.474 120.400 -0.346 0.000 2.846 341 D HA 0.223 4.864 4.640 0.001 0.000 0.279 341 D C -0.638 175.551 176.300 -0.185 0.000 1.222 341 D CA -0.536 53.316 54.000 -0.247 0.000 0.769 341 D CB 0.609 41.316 40.800 -0.153 0.000 1.299 341 D HN 0.571 nan 8.370 nan 0.000 0.537 342 Q N 0.072 119.732 119.800 -0.233 0.000 1.892 342 Q HA 0.115 4.456 4.340 0.001 0.000 0.200 342 Q C -0.407 175.674 176.000 0.135 0.000 0.726 342 Q CA -0.257 55.529 55.803 -0.029 0.000 0.853 342 Q CB 1.102 29.873 28.738 0.055 0.000 1.211 342 Q HN 0.621 nan 8.270 nan 0.000 0.420 343 W N -0.027 121.274 121.300 0.002 0.000 2.989 343 W HA 0.830 5.491 4.660 0.001 0.000 0.344 343 W C -1.893 174.592 176.519 -0.056 0.000 1.233 343 W CA -0.869 56.489 57.345 0.021 0.000 1.187 343 W CB 0.879 30.398 29.460 0.099 0.000 1.443 343 W HN 0.018 nan 8.180 nan 0.000 0.573 344 A N 0.105 123.137 122.820 0.353 0.000 2.539 344 A HA 0.575 4.896 4.320 0.001 0.000 0.296 344 A C -0.045 177.768 177.584 0.381 0.000 1.073 344 A CA -0.851 51.271 52.037 0.141 0.000 0.700 344 A CB 0.769 19.795 19.000 0.044 0.000 1.296 344 A HN 0.862 nan 8.150 nan 0.000 0.405 345 W N 1.003 122.500 121.300 0.329 0.000 2.287 345 W HA -0.298 4.363 4.660 0.001 0.000 0.341 345 W C 1.915 178.558 176.519 0.207 0.000 1.361 345 W CA 1.516 59.008 57.345 0.246 0.000 1.241 345 W CB 0.042 29.589 29.460 0.145 0.000 1.120 345 W HN 0.798 nan 8.180 nan 0.000 0.468 346 E N 0.490 120.954 120.200 0.439 0.000 2.705 346 E HA 0.001 4.352 4.350 0.001 0.000 0.272 346 E C 0.501 177.232 176.600 0.218 0.000 1.528 346 E CA 1.323 57.890 56.400 0.277 0.000 1.750 346 E CB 0.183 30.006 29.700 0.206 0.000 1.439 346 E HN 0.318 nan 8.360 nan 0.000 0.449 347 T N -1.147 113.559 114.554 0.252 0.000 3.415 347 T HA -0.089 4.262 4.350 0.001 0.000 0.275 347 T C 0.926 175.763 174.700 0.229 0.000 0.864 347 T CA 0.286 62.505 62.100 0.197 0.000 0.796 347 T CB -0.651 68.326 68.868 0.181 0.000 1.240 347 T HN 0.136 nan 8.240 nan 0.000 0.789 348 L N 2.559 123.963 121.223 0.303 0.000 2.113 348 L HA -0.085 4.256 4.340 0.001 0.000 0.221 348 L C 2.172 179.203 176.870 0.268 0.000 1.084 348 L CA 2.837 57.821 54.840 0.240 0.000 0.787 348 L CB -0.476 41.611 42.059 0.047 0.000 0.893 348 L HN 0.372 nan 8.230 nan 0.000 0.440 349 R N -0.841 119.769 120.500 0.184 0.000 2.090 349 R HA -0.106 4.235 4.340 0.001 0.000 0.228 349 R C 1.938 178.178 176.300 -0.100 0.000 1.110 349 R CA 1.387 57.489 56.100 0.002 0.000 0.973 349 R CB -0.232 29.872 30.300 -0.326 0.000 0.869 349 R HN 0.568 nan 8.270 nan 0.000 0.440 350 D N 0.471 120.875 120.400 0.007 0.000 2.178 350 D HA -0.139 4.501 4.640 0.001 0.000 0.201 350 D C 1.228 177.598 176.300 0.117 0.000 0.980 350 D CA 1.466 55.477 54.000 0.018 0.000 0.842 350 D CB -0.341 40.485 40.800 0.043 0.000 0.948 350 D HN 0.398 nan 8.370 nan 0.000 0.472 351 T N -0.511 114.175 114.554 0.221 0.000 2.905 351 T HA 0.083 4.434 4.350 0.001 0.000 0.400 351 T C 0.495 175.350 174.700 0.258 0.000 1.098 351 T CA -0.428 61.815 62.100 0.238 0.000 1.095 351 T CB 0.552 69.601 68.868 0.302 0.000 1.281 351 T HN -0.176 nan 8.240 nan 0.000 0.515 352 V N 0.966 120.961 119.914 0.136 0.000 2.555 352 V HA 0.685 4.806 4.120 0.001 0.000 0.302 352 V C 0.734 176.671 176.094 -0.261 0.000 1.038 352 V CA -0.934 61.386 62.300 0.033 0.000 0.887 352 V CB 1.067 32.889 31.823 -0.001 0.000 0.991 352 V HN 1.270 nan 8.190 nan 0.000 0.434 353 A N 5.441 127.992 122.820 -0.448 0.000 2.407 353 A HA 0.509 4.830 4.320 0.001 0.000 0.248 353 A C -1.352 175.760 177.584 -0.788 0.000 1.082 353 A CA -0.986 50.538 52.037 -0.855 0.000 0.785 353 A CB -0.026 18.589 19.000 -0.642 0.000 1.020 353 A HN 0.740 nan 8.150 nan 0.000 0.489 354 P HA -0.062 nan 4.420 nan 0.000 0.220 354 P C -0.290 176.456 177.300 -0.922 0.000 1.144 354 P CA 1.245 63.627 63.100 -1.198 0.000 0.800 354 P CB -0.059 30.521 31.700 -1.867 0.000 0.772 355 V N -1.420 118.125 119.914 -0.615 0.000 2.760 355 V HA 0.329 4.450 4.120 0.001 0.000 0.309 355 V C -0.357 175.618 176.094 -0.199 0.000 1.077 355 V CA -0.916 61.180 62.300 -0.340 0.000 0.910 355 V CB 2.743 34.424 31.823 -0.237 0.000 1.008 355 V HN -0.414 nan 8.190 nan 0.000 0.424 356 V N 4.460 124.298 119.914 -0.125 0.000 2.495 356 V HA 0.442 4.563 4.120 0.001 0.000 0.298 356 V C -2.388 173.682 176.094 -0.039 0.000 1.031 356 V CA -2.028 60.229 62.300 -0.072 0.000 0.871 356 V CB 1.982 33.773 31.823 -0.054 0.000 0.988 356 V HN 0.794 nan 8.190 nan 0.000 0.432 357 P HA 0.055 nan 4.420 nan 0.000 0.256 357 P C -0.535 176.763 177.300 -0.004 0.000 1.189 357 P CA 0.214 63.303 63.100 -0.017 0.000 0.808 357 P CB 0.032 31.726 31.700 -0.010 0.000 0.793 358 D N 3.780 124.179 120.400 -0.003 0.000 2.558 358 D HA 0.136 4.777 4.640 0.001 0.000 0.221 358 D C -0.322 175.989 176.300 0.018 0.000 1.143 358 D CA -0.048 53.956 54.000 0.008 0.000 1.010 358 D CB -0.441 40.364 40.800 0.008 0.000 1.068 358 D HN 0.216 nan 8.370 nan 0.000 0.511 359 L N 1.458 122.697 121.223 0.026 0.000 2.326 359 L HA 0.208 4.548 4.340 0.001 0.000 0.278 359 L C 1.818 178.714 176.870 0.043 0.000 1.092 359 L CA -0.446 54.420 54.840 0.043 0.000 0.810 359 L CB 1.584 43.676 42.059 0.054 0.000 1.153 359 L HN 0.292 nan 8.230 nan 0.000 0.439 360 S N 0.551 116.282 115.700 0.050 0.000 2.395 360 S HA -0.001 4.470 4.470 0.001 0.000 0.225 360 S C 0.833 175.461 174.600 0.047 0.000 1.027 360 S CA 0.563 58.790 58.200 0.044 0.000 0.965 360 S CB 0.102 63.328 63.200 0.044 0.000 0.812 360 S HN 0.818 nan 8.310 nan 0.000 0.482 361 S N 1.073 116.810 115.700 0.060 0.000 3.211 361 S HA 0.312 4.783 4.470 0.001 0.000 0.320 361 S C -0.085 174.564 174.600 0.081 0.000 1.225 361 S CA 0.136 58.372 58.200 0.059 0.000 1.044 361 S CB 0.211 63.442 63.200 0.051 0.000 1.410 361 S HN 0.276 nan 8.310 nan 0.000 0.640 362 D N 0.998 121.445 120.400 0.079 0.000 2.323 362 D HA 0.024 4.665 4.640 0.001 0.000 0.209 362 D C 1.329 177.720 176.300 0.151 0.000 0.973 362 D CA 0.756 54.819 54.000 0.104 0.000 0.874 362 D CB -0.490 40.350 40.800 0.066 0.000 0.930 362 D HN 0.754 nan 8.370 nan 0.000 0.521 363 I N -1.935 118.708 120.570 0.121 0.000 3.424 363 I HA 0.352 4.522 4.170 0.001 0.000 0.339 363 I C -0.684 175.522 176.117 0.149 0.000 1.549 363 I CA -0.718 60.651 61.300 0.114 0.000 1.049 363 I CB 0.018 38.043 38.000 0.042 0.000 1.439 363 I HN -0.350 nan 8.210 nan 0.000 0.500 364 D N 3.081 123.599 120.400 0.196 0.000 2.402 364 D HA 0.054 4.695 4.640 0.001 0.000 0.235 364 D C 1.321 177.768 176.300 0.246 0.000 1.226 364 D CA 0.119 54.222 54.000 0.172 0.000 0.918 364 D CB 0.957 41.833 40.800 0.127 0.000 1.043 364 D HN 0.430 nan 8.370 nan 0.000 0.506 365 T N 0.005 114.698 114.554 0.232 0.000 3.406 365 T HA 0.028 4.378 4.350 0.001 0.000 0.244 365 T C 1.523 176.367 174.700 0.241 0.000 0.949 365 T CA 0.133 62.424 62.100 0.319 0.000 0.926 365 T CB -0.365 68.655 68.868 0.253 0.000 1.089 365 T HN 0.185 nan 8.240 nan 0.000 0.604 366 S N 2.135 117.926 115.700 0.152 0.000 2.368 366 S HA -0.138 4.333 4.470 0.001 0.000 0.224 366 S C 1.624 176.230 174.600 0.009 0.000 1.029 366 S CA 0.756 59.001 58.200 0.075 0.000 0.988 366 S CB -0.643 62.585 63.200 0.046 0.000 0.838 366 S HN 0.594 nan 8.310 nan 0.000 0.462 367 N N 1.072 119.714 118.700 -0.097 0.000 2.571 367 N HA 0.204 4.944 4.740 0.001 0.000 0.189 367 N C -0.923 174.276 175.510 -0.518 0.000 1.154 367 N CA 0.395 53.241 53.050 -0.339 0.000 0.907 367 N CB -0.333 37.842 38.487 -0.521 0.000 0.977 367 N HN 0.427 nan 8.380 nan 0.000 0.449 368 F N 1.080 121.066 119.950 0.061 0.000 2.467 368 F HA 0.248 4.776 4.527 0.001 0.000 0.336 368 F C -0.174 175.656 175.800 0.050 0.000 1.123 368 F CA -1.767 56.268 58.000 0.059 0.000 0.964 368 F CB 1.041 40.091 39.000 0.084 0.000 1.136 368 F HN -0.099 nan 8.300 nan 0.000 0.447 369 D N 3.254 123.780 120.400 0.211 0.000 2.346 369 D HA -0.041 4.600 4.640 0.001 0.000 0.267 369 D C -0.113 176.259 176.300 0.120 0.000 1.320 369 D CA -0.023 54.055 54.000 0.129 0.000 0.951 369 D CB 0.415 41.270 40.800 0.092 0.000 1.079 369 D HN 0.395 nan 8.370 nan 0.000 0.509 370 D N 1.863 122.325 120.400 0.104 0.000 2.795 370 D HA -0.057 4.583 4.640 0.001 0.000 0.221 370 D C -0.276 176.055 176.300 0.053 0.000 1.108 370 D CA 0.735 54.780 54.000 0.075 0.000 0.832 370 D CB 0.686 41.523 40.800 0.061 0.000 1.183 370 D HN 0.378 nan 8.370 nan 0.000 0.503 371 L N 2.751 123.995 121.223 0.036 0.000 2.431 371 L HA 0.187 4.528 4.340 0.001 0.000 0.266 371 L C 0.574 177.449 176.870 0.008 0.000 0.978 371 L CA -0.833 54.019 54.840 0.020 0.000 0.822 371 L CB 2.028 44.095 42.059 0.013 0.000 1.310 371 L HN 0.414 nan 8.230 nan 0.000 0.409 378 E N 2.000 122.135 120.200 -0.109 0.000 3.406 378 E HA 0.212 4.563 4.350 0.001 0.000 0.210 378 E C -1.107 175.348 176.600 -0.243 0.000 1.167 378 E CA -0.317 56.001 56.400 -0.137 0.000 1.132 378 E CB 0.151 29.812 29.700 -0.064 0.000 1.309 378 E HN 0.080 nan 8.360 nan 0.000 0.424 379 E N 0.932 120.881 120.200 -0.418 0.000 3.326 379 E HA -0.135 4.216 4.350 0.001 0.000 0.285 379 E C -0.147 176.040 176.600 -0.688 0.000 0.864 379 E CA 1.075 57.005 56.400 -0.784 0.000 0.984 379 E CB 0.077 28.770 29.700 -1.679 0.000 0.952 379 E HN 0.520 nan 8.360 nan 0.000 0.525 380 T N 0.146 114.547 114.554 -0.255 0.000 2.916 380 T HA 0.503 4.853 4.350 0.001 0.000 0.298 380 T C 0.149 175.107 174.700 0.431 0.000 1.031 380 T CA -0.841 61.318 62.100 0.098 0.000 0.993 380 T CB 0.585 69.480 68.868 0.045 0.000 1.045 380 T HN 0.277 nan 8.240 nan 0.000 0.454 381 F N 3.513 123.688 119.950 0.376 0.000 2.657 381 F HA 0.204 4.731 4.527 0.001 0.000 0.354 381 F C -1.001 174.813 175.800 0.022 0.000 1.148 381 F CA -0.755 57.305 58.000 0.100 0.000 1.368 381 F CB 0.650 39.643 39.000 -0.012 0.000 1.036 381 F HN 0.472 nan 8.300 nan 0.000 0.619 382 P HA 0.222 nan 4.420 nan 0.000 0.285 382 P C -0.584 176.637 177.300 -0.132 0.000 1.259 382 P CA -0.216 62.914 63.100 0.051 0.000 0.794 382 P CB 1.004 32.729 31.700 0.042 0.000 0.940 383 I N 4.902 125.339 120.570 -0.223 0.000 2.598 383 I HA 0.055 4.225 4.170 0.001 0.000 0.284 383 I C -1.685 174.245 176.117 -0.312 0.000 1.140 383 I CA -1.396 59.624 61.300 -0.467 0.000 1.420 383 I CB 0.204 37.969 38.000 -0.392 0.000 1.387 383 I HN 0.194 nan 8.210 nan 0.000 0.553 384 P HA 0.172 nan 4.420 nan 0.000 0.275 384 P C -0.415 176.870 177.300 -0.025 0.000 1.228 384 P CA -0.358 62.680 63.100 -0.103 0.000 0.786 384 P CB 0.590 32.304 31.700 0.024 0.000 0.927 385 K N 0.810 121.205 120.400 -0.009 0.000 2.437 385 K HA 0.566 4.887 4.320 0.001 0.000 0.205 385 K C 0.117 176.740 176.600 0.039 0.000 1.026 385 K CA -0.101 56.195 56.287 0.015 0.000 1.153 385 K CB 0.399 32.899 32.500 -0.001 0.000 0.863 385 K HN 0.564 nan 8.250 nan 0.000 0.502 386 A N 0.182 123.040 122.820 0.062 0.000 2.415 386 A HA 0.275 4.595 4.320 0.001 0.000 0.294 386 A C -1.961 175.705 177.584 0.136 0.000 1.019 386 A CA -0.964 51.127 52.037 0.090 0.000 0.603 386 A CB 0.062 19.096 19.000 0.055 0.000 1.382 386 A HN 0.124 nan 8.150 nan 0.000 0.483 387 F N 1.312 121.254 119.950 -0.015 0.000 2.504 387 F HA 0.403 4.931 4.527 0.001 0.000 0.369 387 F C 1.319 177.088 175.800 -0.050 0.000 1.082 387 F CA 0.850 58.829 58.000 -0.035 0.000 1.216 387 F CB 1.350 40.313 39.000 -0.062 0.000 1.108 387 F HN 0.762 nan 8.300 nan 0.000 0.554 388 V N 2.971 122.469 119.914 -0.692 0.000 2.911 388 V HA 0.434 4.555 4.120 0.001 0.000 0.237 388 V C 1.171 176.645 176.094 -1.033 0.000 1.156 388 V CA 0.409 62.306 62.300 -0.673 0.000 1.180 388 V CB -0.685 30.894 31.823 -0.406 0.000 0.932 388 V HN 1.451 nan 8.190 nan 0.000 0.483 389 G N 2.495 110.570 108.800 -1.208 0.000 2.368 389 G HA2 -0.235 3.726 3.960 0.001 0.000 0.290 389 G HA3 -0.235 3.726 3.960 0.001 0.000 0.290 389 G C 0.173 174.783 174.900 -0.483 0.000 1.098 389 G CA 0.490 45.105 45.100 -0.808 0.000 1.073 389 G HN 0.471 nan 8.290 nan 0.000 0.511 390 N N -0.361 118.046 118.700 -0.489 0.000 2.494 390 N HA -0.016 4.725 4.740 0.001 0.000 0.182 390 N C 2.023 177.250 175.510 -0.472 0.000 1.076 390 N CA 0.769 53.524 53.050 -0.492 0.000 0.908 390 N CB 0.132 38.088 38.487 -0.886 0.000 0.967 390 N HN 0.649 nan 8.380 nan 0.000 0.449 391 Q N 0.028 119.602 119.800 -0.376 0.000 2.360 391 Q HA 0.198 4.539 4.340 0.001 0.000 0.202 391 Q C 1.886 177.708 176.000 -0.297 0.000 0.915 391 Q CA -0.107 55.487 55.803 -0.348 0.000 0.943 391 Q CB 0.507 29.164 28.738 -0.134 0.000 1.064 391 Q HN 0.403 nan 8.270 nan 0.000 0.511 392 L N 1.589 122.659 121.223 -0.255 0.000 2.131 392 L HA -0.119 4.222 4.340 0.001 0.000 0.210 392 L C -0.486 176.324 176.870 -0.101 0.000 1.092 392 L CA 1.153 55.919 54.840 -0.123 0.000 0.759 392 L CB -1.179 40.823 42.059 -0.094 0.000 0.903 392 L HN 0.138 nan 8.230 nan 0.000 0.435 393 P HA -0.118 nan 4.420 nan 0.000 0.236 393 P C 0.859 178.404 177.300 0.408 0.000 1.177 393 P CA 1.141 64.242 63.100 0.003 0.000 0.773 393 P CB 0.019 31.672 31.700 -0.078 0.000 0.878 394 F N -0.865 119.171 119.950 0.144 0.000 2.647 394 F HA 0.193 4.721 4.527 0.001 0.000 0.300 394 F C 0.725 176.621 175.800 0.160 0.000 1.106 394 F CA -0.862 57.160 58.000 0.035 0.000 1.313 394 F CB 0.419 39.253 39.000 -0.276 0.000 1.007 394 F HN -0.396 nan 8.300 nan 0.000 0.536 395 V N 1.757 121.884 119.914 0.355 0.000 2.439 395 V HA 0.375 4.496 4.120 0.001 0.000 0.271 395 V C 0.982 177.340 176.094 0.440 0.000 1.040 395 V CA 0.972 63.455 62.300 0.305 0.000 1.002 395 V CB 0.322 32.259 31.823 0.190 0.000 1.000 395 V HN 0.705 nan 8.190 nan 0.000 0.477 396 G N 4.478 113.527 108.800 0.415 0.000 2.211 396 G HA2 -0.279 3.682 3.960 0.001 0.000 0.201 396 G HA3 -0.279 3.682 3.960 0.001 0.000 0.201 396 G C 0.562 175.781 174.900 0.531 0.000 0.997 396 G CA 0.260 45.629 45.100 0.447 0.000 0.652 396 G HN 0.602 nan 8.290 nan 0.000 0.500 397 F N 2.686 122.781 119.950 0.242 0.000 2.043 397 F HA 0.065 4.592 4.527 0.001 0.000 0.297 397 F C 1.866 177.689 175.800 0.039 0.000 1.121 397 F CA 2.270 60.234 58.000 -0.061 0.000 1.199 397 F CB -0.839 37.993 39.000 -0.279 0.000 0.968 397 F HN 0.108 nan 8.300 nan 0.000 0.478 398 T N 1.223 115.841 114.554 0.107 0.000 2.723 398 T HA -0.192 4.159 4.350 0.001 0.000 0.260 398 T C -1.089 173.563 174.700 -0.081 0.000 1.019 398 T CA 0.948 63.027 62.100 -0.036 0.000 1.155 398 T CB -0.749 68.101 68.868 -0.031 0.000 1.024 398 T HN 0.310 nan 8.240 nan 0.000 0.491 399 Y N 5.018 125.130 120.300 -0.312 0.000 2.359 399 Y HA 0.381 4.931 4.550 0.001 0.000 0.336 399 Y C -1.711 174.164 175.900 -0.042 0.000 1.098 399 Y CA -1.470 56.517 58.100 -0.189 0.000 1.272 399 Y CB 0.356 38.713 38.460 -0.172 0.000 1.112 399 Y HN 0.550 nan 8.280 nan 0.000 0.481 400 Y N 2.917 123.065 120.300 -0.253 0.000 2.365 400 Y HA 0.450 5.000 4.550 0.001 0.000 0.340 400 Y C 0.551 176.139 175.900 -0.521 0.000 1.016 400 Y CA -0.692 57.298 58.100 -0.182 0.000 1.196 400 Y CB 1.695 40.105 38.460 -0.084 0.000 1.167 400 Y HN 0.515 nan 8.280 nan 0.000 0.509 401 S N 4.859 120.421 115.700 -0.231 0.000 2.577 401 S HA 0.500 4.971 4.470 0.001 0.000 0.294 401 S C -0.624 173.991 174.600 0.024 0.000 1.161 401 S CA -0.325 57.684 58.200 -0.319 0.000 1.143 401 S CB -0.685 62.404 63.200 -0.184 0.000 0.991 401 S HN 0.873 nan 8.310 nan 0.000 0.475 402 N N 0.000 118.729 118.700 0.048 0.000 1.763 402 N HA 0.000 4.741 4.740 0.001 0.000 0.220 402 N CA 0.000 53.095 53.050 0.075 0.000 0.885 402 N CB 0.000 38.537 38.487 0.083 0.000 1.341 402 N HN 0.000 nan 8.380 nan 0.000 0.667