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 1qi9_1_A DATA FIRST_RESID 2 DATA SEQUENCE TCSTSDDADD PTPPNERDDE AFASRVAAAK RELEGTGTVC QINNGETDLA DATA SEQUENCE AKFHKSLPHD DLGQVDADAF AALEDcILNG DLSIcEDVPV GNSEGDPVGR DATA SEQUENCE LVNPTAAFAI DISGPAFSAT TIPPVPTLPS PELAAQLAEV YWMALARDVP DATA SEQUENCE FMQYGTDDIT VTAAANLAGM EGFPNLDAVS IGSDGTVDPL SQLFRATFVG DATA SEQUENCE VETGPFISQL LVNSFTIDSI TVEPKQETFA PDVNYMVDFD EWLNIQNGGP DATA SEQUENCE PAGPELLDDE LRFVRNARDL ARVTFTDNIN TEAYRGALIL LGLDAFNRAG DATA SEQUENCE VNGPFIDIDR QAGFVNFGIS HYFRLIGAAE LAQRSSWYQK WQVHRFARPE DATA SEQUENCE ALGGTLHLTI KGELNADFDL SLLENAELLK RVAAINAAQN PNNEVTYLLP DATA SEQUENCE QAIQEGSPTH PSYPSGHATQ NGAFATVLKA LIGLDRGGDc YPDPVYPDDD DATA SEQUENCE GLKLIDFRGS cLTFEGEINK LAVNVAFGRQ MLGIHYRFDG IQGLLLGETI DATA SEQUENCE TVRTLHQELM TFAEESTFEF RLFTGEVIKL FQDGTFTIDG FKcPGLVYTG DATA SEQUENCE VENcV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.701 174.700 0.001 0.000 1.109 2 T CA 0.000 62.100 62.100 0.001 0.000 1.349 2 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 3 C N 2.785 122.087 119.300 0.002 0.000 2.767 3 C HA 0.812 5.272 4.460 -0.000 0.000 0.353 3 C C 1.656 176.647 174.990 0.002 0.000 1.376 3 C CA 0.919 59.939 59.018 0.003 0.000 2.284 3 C CB -0.001 27.741 27.740 0.004 0.000 2.535 3 C HN 1.204 nan 8.230 nan 0.000 0.745 4 S N -1.036 114.666 115.700 0.003 0.000 4.696 4 S HA 0.047 4.516 4.470 -0.000 0.000 0.185 4 S C 1.120 175.723 174.600 0.005 0.000 1.139 4 S CA 0.718 58.920 58.200 0.003 0.000 1.227 4 S CB -0.692 62.509 63.200 0.002 0.000 1.682 4 S HN 1.398 nan 8.310 nan 0.000 0.551 5 T N -0.522 114.035 114.554 0.005 0.000 3.040 5 T HA 0.522 4.872 4.350 -0.000 0.000 0.250 5 T C 0.458 175.162 174.700 0.007 0.000 1.058 5 T CA 0.529 62.633 62.100 0.006 0.000 0.988 5 T CB 0.308 69.180 68.868 0.006 0.000 0.993 5 T HN 0.451 nan 8.240 nan 0.000 0.519 6 S N 0.902 116.606 115.700 0.006 0.000 2.579 6 S HA 0.651 5.121 4.470 -0.000 0.000 0.272 6 S C -2.075 172.528 174.600 0.007 0.000 1.141 6 S CA -0.551 57.654 58.200 0.007 0.000 0.843 6 S CB 1.884 65.088 63.200 0.006 0.000 1.122 6 S HN 0.682 nan 8.310 nan 0.000 0.468 7 D N 0.529 120.934 120.400 0.007 0.000 3.145 7 D HA 0.308 4.948 4.640 -0.000 0.000 0.345 7 D C -0.743 175.561 176.300 0.007 0.000 1.391 7 D CA -0.353 53.651 54.000 0.007 0.000 0.930 7 D CB -0.359 40.445 40.800 0.007 0.000 1.451 7 D HN 0.320 nan 8.370 nan 0.000 0.555 8 D N -0.500 119.904 120.400 0.007 0.000 2.339 8 D HA 0.320 4.960 4.640 -0.000 0.000 0.217 8 D C 0.420 176.725 176.300 0.008 0.000 1.050 8 D CA 0.176 54.180 54.000 0.006 0.000 0.856 8 D CB 0.152 40.955 40.800 0.005 0.000 0.922 8 D HN 0.543 nan 8.370 nan 0.000 0.518 9 A N 0.757 123.583 122.820 0.010 0.000 2.371 9 A HA 0.121 4.441 4.320 -0.000 0.000 0.257 9 A C 0.190 177.782 177.584 0.012 0.000 1.089 9 A CA -0.243 51.800 52.037 0.011 0.000 0.794 9 A CB 0.491 19.500 19.000 0.014 0.000 1.029 9 A HN -0.177 nan 8.150 nan 0.000 0.488 10 D N 1.531 121.939 120.400 0.013 0.000 2.619 10 D HA 0.233 4.873 4.640 -0.000 0.000 0.224 10 D C -0.954 175.356 176.300 0.017 0.000 1.133 10 D CA 0.700 54.708 54.000 0.014 0.000 1.017 10 D CB 0.192 41.000 40.800 0.013 0.000 1.077 10 D HN 0.450 nan 8.370 nan 0.000 0.503 11 D N 0.794 121.205 120.400 0.017 0.000 2.686 11 D HA 0.207 4.847 4.640 -0.000 0.000 0.249 11 D C -1.758 174.553 176.300 0.019 0.000 1.260 11 D CA -1.807 52.206 54.000 0.020 0.000 0.910 11 D CB 2.273 43.085 40.800 0.021 0.000 1.323 11 D HN -0.103 nan 8.370 nan 0.000 0.561 12 P HA -0.031 nan 4.420 nan 0.000 0.218 12 P C 0.156 177.468 177.300 0.019 0.000 1.148 12 P CA 0.851 63.963 63.100 0.019 0.000 0.822 12 P CB 0.166 31.878 31.700 0.020 0.000 0.784 13 T N 2.010 116.577 114.554 0.021 0.000 2.832 13 T HA 0.266 4.616 4.350 -0.000 0.000 0.296 13 T C -2.420 172.291 174.700 0.019 0.000 0.968 13 T CA -1.290 60.822 62.100 0.022 0.000 1.107 13 T CB 0.505 69.388 68.868 0.026 0.000 0.916 13 T HN -0.063 nan 8.240 nan 0.000 0.517 14 P HA 0.161 nan 4.420 nan 0.000 0.269 14 P C -1.903 175.406 177.300 0.015 0.000 1.209 14 P CA -1.538 61.571 63.100 0.014 0.000 0.776 14 P CB 0.108 31.815 31.700 0.012 0.000 0.876 15 P HA -0.235 nan 4.420 nan 0.000 0.216 15 P C 0.968 178.275 177.300 0.011 0.000 1.157 15 P CA 1.808 64.916 63.100 0.012 0.000 0.880 15 P CB -0.389 31.317 31.700 0.009 0.000 0.791 16 N N -0.760 117.946 118.700 0.009 0.000 2.521 16 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 16 N C 0.898 176.414 175.510 0.010 0.000 1.146 16 N CA 0.892 53.946 53.050 0.006 0.000 0.893 16 N CB -0.816 37.673 38.487 0.003 0.000 0.975 16 N HN 0.293 nan 8.380 nan 0.000 0.451 17 E N -0.436 119.773 120.200 0.015 0.000 2.511 17 E HA 0.212 4.561 4.350 -0.000 0.000 0.209 17 E C 1.295 177.913 176.600 0.030 0.000 0.986 17 E CA -0.269 56.144 56.400 0.022 0.000 0.974 17 E CB 0.376 30.090 29.700 0.022 0.000 1.030 17 E HN 0.298 nan 8.360 nan 0.000 0.490 18 R N 1.593 122.110 120.500 0.027 0.000 2.115 18 R HA -0.124 4.216 4.340 -0.000 0.000 0.230 18 R C 1.846 178.172 176.300 0.043 0.000 1.111 18 R CA 1.671 57.792 56.100 0.034 0.000 0.976 18 R CB -0.174 30.143 30.300 0.029 0.000 0.870 18 R HN 0.237 nan 8.270 nan 0.000 0.445 19 D N 0.867 121.289 120.400 0.037 0.000 2.097 19 D HA -0.181 4.458 4.640 -0.000 0.000 0.197 19 D C 1.142 177.484 176.300 0.071 0.000 0.984 19 D CA 1.229 55.254 54.000 0.042 0.000 0.826 19 D CB -0.519 40.289 40.800 0.015 0.000 0.973 19 D HN 0.078 nan 8.370 nan 0.000 0.460 20 D N 0.955 121.390 120.400 0.058 0.000 2.117 20 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 20 D C 1.978 178.359 176.300 0.135 0.000 0.987 20 D CA 0.865 54.923 54.000 0.096 0.000 0.829 20 D CB -0.155 40.682 40.800 0.063 0.000 0.961 20 D HN 0.506 nan 8.370 nan 0.000 0.460 21 E N 0.778 121.032 120.200 0.090 0.000 2.150 21 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 21 E C 2.099 178.748 176.600 0.080 0.000 0.985 21 E CA 0.767 57.212 56.400 0.076 0.000 0.814 21 E CB 0.023 29.755 29.700 0.053 0.000 0.752 21 E HN 0.178 nan 8.360 nan 0.000 0.466 22 A N 1.095 123.971 122.820 0.094 0.000 1.898 22 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 22 A C 1.947 179.601 177.584 0.116 0.000 1.181 22 A CA 0.845 52.934 52.037 0.087 0.000 0.620 22 A CB -0.664 18.387 19.000 0.084 0.000 0.819 22 A HN 0.307 nan 8.150 nan 0.000 0.442 23 F N 1.198 121.153 119.950 0.009 0.000 2.095 23 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 23 F C 2.521 178.324 175.800 0.005 0.000 1.104 23 F CA 1.360 59.364 58.000 0.007 0.000 1.232 23 F CB -0.508 38.496 39.000 0.006 0.000 0.987 23 F HN 0.247 nan 8.300 nan 0.000 0.475 24 A N -0.776 122.079 122.820 0.059 0.000 1.883 24 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 24 A C 2.373 179.890 177.584 -0.111 0.000 1.186 24 A CA 2.100 54.104 52.037 -0.054 0.000 0.624 24 A CB -1.557 17.468 19.000 0.042 0.000 0.822 24 A HN 0.489 nan 8.150 nan 0.000 0.444 25 S N -0.712 114.955 115.700 -0.055 0.000 2.370 25 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 25 S C 2.185 176.732 174.600 -0.089 0.000 1.033 25 S CA 1.623 59.791 58.200 -0.052 0.000 1.011 25 S CB -0.317 62.874 63.200 -0.014 0.000 0.852 25 S HN 0.629 nan 8.310 nan 0.000 0.457 26 R N -0.080 120.349 120.500 -0.120 0.000 2.090 26 R HA 0.044 4.384 4.340 -0.000 0.000 0.228 26 R C 2.313 178.490 176.300 -0.205 0.000 1.110 26 R CA 1.324 57.343 56.100 -0.134 0.000 0.973 26 R CB -0.539 29.696 30.300 -0.109 0.000 0.869 26 R HN 0.310 nan 8.270 nan 0.000 0.440 27 V N 1.228 120.932 119.914 -0.349 0.000 2.295 27 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 27 V C 2.469 178.449 176.094 -0.191 0.000 1.049 27 V CA 2.056 64.148 62.300 -0.346 0.000 1.024 27 V CB -0.724 30.783 31.823 -0.526 0.000 0.648 27 V HN 0.404 nan 8.190 nan 0.000 0.447 28 A N -0.031 122.696 122.820 -0.154 0.000 1.908 28 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 28 A C 2.429 179.961 177.584 -0.087 0.000 1.181 28 A CA 2.329 54.307 52.037 -0.098 0.000 0.627 28 A CB -0.859 18.096 19.000 -0.074 0.000 0.818 28 A HN 0.594 nan 8.150 nan 0.000 0.445 29 A N -0.215 122.551 122.820 -0.090 0.000 1.877 29 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 29 A C 2.521 180.061 177.584 -0.074 0.000 1.186 29 A CA 2.222 54.212 52.037 -0.078 0.000 0.620 29 A CB -1.060 17.897 19.000 -0.072 0.000 0.822 29 A HN 1.120 nan 8.150 nan 0.000 0.443 30 A N -0.357 122.415 122.820 -0.081 0.000 1.933 30 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 30 A C 2.109 179.654 177.584 -0.065 0.000 1.175 30 A CA 2.052 54.046 52.037 -0.072 0.000 0.628 30 A CB -0.421 18.531 19.000 -0.080 0.000 0.814 30 A HN 0.568 nan 8.150 nan 0.000 0.444 31 K N -0.358 120.000 120.400 -0.070 0.000 2.097 31 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 31 K C 2.279 178.852 176.600 -0.045 0.000 1.050 31 K CA 1.381 57.635 56.287 -0.055 0.000 0.938 31 K CB -0.179 32.287 32.500 -0.056 0.000 0.718 31 K HN 0.432 nan 8.250 nan 0.000 0.442 32 R N 0.416 120.886 120.500 -0.050 0.000 2.096 32 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 32 R C 1.724 178.000 176.300 -0.040 0.000 1.127 32 R CA 1.483 57.557 56.100 -0.044 0.000 0.968 32 R CB 0.046 30.311 30.300 -0.059 0.000 0.861 32 R HN 0.214 nan 8.270 nan 0.000 0.440 33 E N 0.689 120.861 120.200 -0.047 0.000 2.107 33 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 33 E C 1.971 178.547 176.600 -0.040 0.000 0.982 33 E CA 0.684 57.058 56.400 -0.043 0.000 0.809 33 E CB -0.235 29.436 29.700 -0.048 0.000 0.756 33 E HN 0.234 nan 8.360 nan 0.000 0.459 34 L N 1.996 123.195 121.223 -0.040 0.000 1.971 34 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 34 L C 1.951 178.806 176.870 -0.025 0.000 1.072 34 L CA 2.034 56.853 54.840 -0.035 0.000 0.758 34 L CB -0.500 41.540 42.059 -0.033 0.000 0.889 34 L HN 0.030 nan 8.230 nan 0.000 0.433 35 E N -0.751 119.437 120.200 -0.020 0.000 2.106 35 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 35 E C 2.018 178.617 176.600 -0.002 0.000 0.984 35 E CA 0.916 57.311 56.400 -0.010 0.000 0.806 35 E CB -0.499 29.196 29.700 -0.008 0.000 0.750 35 E HN 0.717 nan 8.360 nan 0.000 0.458 36 G N 0.419 109.218 108.800 -0.002 0.000 2.484 36 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 36 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 36 G C 1.528 176.431 174.900 0.006 0.000 1.130 36 G CA 0.920 46.029 45.100 0.014 0.000 0.784 36 G HN 0.145 nan 8.290 nan 0.000 0.543 37 T N 0.118 114.665 114.554 -0.011 0.000 2.755 37 T HA 0.371 4.721 4.350 -0.000 0.000 0.251 37 T C 1.813 176.504 174.700 -0.014 0.000 1.044 37 T CA 1.294 63.381 62.100 -0.020 0.000 1.154 37 T CB -0.568 68.275 68.868 -0.042 0.000 0.866 37 T HN 0.869 nan 8.240 nan 0.000 0.416 38 G N 1.133 109.924 108.800 -0.015 0.000 2.566 38 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.280 38 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.280 38 G C -0.033 174.861 174.900 -0.010 0.000 1.225 38 G CA 0.143 45.238 45.100 -0.008 0.000 0.966 38 G HN 0.547 nan 8.290 nan 0.000 0.560 39 T N 0.972 115.525 114.554 -0.001 0.000 2.728 39 T HA 0.524 4.873 4.350 -0.000 0.000 0.296 39 T C 0.088 174.793 174.700 0.009 0.000 0.940 39 T CA -0.113 61.990 62.100 0.004 0.000 1.013 39 T CB 1.457 70.331 68.868 0.011 0.000 0.912 39 T HN 0.810 nan 8.240 nan 0.000 0.484 40 V N 3.514 123.434 119.914 0.011 0.000 2.417 40 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 40 V C -0.003 176.117 176.094 0.043 0.000 1.024 40 V CA -0.884 61.429 62.300 0.022 0.000 0.861 40 V CB 1.440 33.270 31.823 0.012 0.000 0.985 40 V HN 0.999 nan 8.190 nan 0.000 0.436 41 C N 5.173 124.499 119.300 0.045 0.000 2.239 41 C HA 0.431 4.891 4.460 -0.000 0.000 0.325 41 C C 0.221 175.245 174.990 0.057 0.000 1.231 41 C CA -1.090 57.958 59.018 0.049 0.000 1.652 41 C CB 0.140 27.902 27.740 0.037 0.000 2.284 41 C HN 0.729 nan 8.230 nan 0.000 0.499 42 Q N 3.509 123.346 119.800 0.062 0.000 2.295 42 Q HA 0.468 4.808 4.340 -0.000 0.000 0.259 42 Q C -0.278 175.720 176.000 -0.004 0.000 0.976 42 Q CA 0.232 56.058 55.803 0.038 0.000 0.923 42 Q CB 1.164 29.914 28.738 0.020 0.000 1.185 42 Q HN 0.597 nan 8.270 nan 0.000 0.410 43 I N 3.288 123.861 120.570 0.006 0.000 2.436 43 I HA 0.243 4.413 4.170 -0.000 0.000 0.289 43 I C 0.159 176.288 176.117 0.019 0.000 1.010 43 I CA -0.964 60.342 61.300 0.010 0.000 1.098 43 I CB 1.476 39.500 38.000 0.040 0.000 1.266 43 I HN 0.540 nan 8.210 nan 0.000 0.434 44 N N 4.394 123.082 118.700 -0.020 0.000 2.671 44 N HA 0.210 4.950 4.740 -0.000 0.000 0.303 44 N C 0.429 175.974 175.510 0.059 0.000 1.277 44 N CA -0.666 52.415 53.050 0.053 0.000 0.933 44 N CB 0.066 38.535 38.487 -0.029 0.000 1.190 44 N HN 0.454 nan 8.380 nan 0.000 0.600 45 N N -2.126 116.606 118.700 0.053 0.000 2.521 45 N HA 0.071 4.810 4.740 -0.000 0.000 0.188 45 N C 1.103 176.621 175.510 0.014 0.000 1.146 45 N CA 0.729 53.781 53.050 0.003 0.000 0.893 45 N CB -0.600 37.856 38.487 -0.052 0.000 0.975 45 N HN 0.951 nan 8.380 nan 0.000 0.451 46 G N 0.028 108.846 108.800 0.030 0.000 2.196 46 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.268 46 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.268 46 G C -0.170 174.747 174.900 0.029 0.000 0.975 46 G CA 0.613 45.730 45.100 0.028 0.000 0.648 46 G HN 0.881 nan 8.290 nan 0.000 0.538 47 E N 0.211 120.431 120.200 0.033 0.000 2.373 47 E HA 0.453 4.802 4.350 -0.000 0.000 0.267 47 E C 1.201 177.817 176.600 0.026 0.000 1.032 47 E CA 0.273 56.687 56.400 0.023 0.000 0.889 47 E CB 0.699 30.413 29.700 0.023 0.000 0.984 47 E HN 0.467 nan 8.360 nan 0.000 0.425 48 T N -0.717 113.841 114.554 0.007 0.000 3.044 48 T HA -0.033 4.317 4.350 -0.000 0.000 0.250 48 T C 0.416 175.099 174.700 -0.028 0.000 1.081 48 T CA -0.050 62.053 62.100 0.005 0.000 1.040 48 T CB 0.040 68.910 68.868 0.004 0.000 0.962 48 T HN 0.477 nan 8.240 nan 0.000 0.506 49 D N 1.519 121.893 120.400 -0.043 0.000 2.487 49 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 49 D C 1.132 177.371 176.300 -0.102 0.000 1.154 49 D CA -0.173 53.784 54.000 -0.072 0.000 0.876 49 D CB 0.418 41.171 40.800 -0.078 0.000 1.161 49 D HN 0.223 nan 8.370 nan 0.000 0.478 50 L N 3.409 124.543 121.223 -0.149 0.000 2.362 50 L HA -0.088 4.252 4.340 -0.000 0.000 0.219 50 L C 2.277 179.124 176.870 -0.038 0.000 1.134 50 L CA 0.772 55.471 54.840 -0.234 0.000 0.807 50 L CB -0.369 41.442 42.059 -0.413 0.000 0.927 50 L HN 0.489 nan 8.230 nan 0.000 0.447 51 A N 0.320 123.124 122.820 -0.027 0.000 2.019 51 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 51 A C 2.216 179.761 177.584 -0.065 0.000 1.164 51 A CA 1.496 53.544 52.037 0.020 0.000 0.644 51 A CB -0.328 18.663 19.000 -0.016 0.000 0.805 51 A HN 0.370 nan 8.150 nan 0.000 0.449 52 A N -1.165 121.575 122.820 -0.134 0.000 2.337 52 A HA 0.307 4.627 4.320 -0.000 0.000 0.227 52 A C 0.519 177.885 177.584 -0.363 0.000 1.259 52 A CA -0.062 51.804 52.037 -0.285 0.000 0.870 52 A CB 0.042 18.942 19.000 -0.167 0.000 0.927 52 A HN 0.205 nan 8.150 nan 0.000 0.497 53 K N -0.904 119.380 120.400 -0.192 0.000 2.221 53 K HA 0.412 4.732 4.320 -0.000 0.000 0.243 53 K C -0.975 175.547 176.600 -0.130 0.000 0.968 53 K CA -0.944 55.314 56.287 -0.048 0.000 0.846 53 K CB 1.113 33.681 32.500 0.113 0.000 1.141 53 K HN 0.172 nan 8.250 nan 0.000 0.434 54 F N 2.743 122.659 119.950 -0.056 0.000 2.467 54 F HA 0.092 4.619 4.527 -0.000 0.000 0.362 54 F C 0.506 176.352 175.800 0.078 0.000 1.090 54 F CA 0.217 58.145 58.000 -0.121 0.000 1.202 54 F CB 0.281 39.213 39.000 -0.114 0.000 1.113 54 F HN 0.676 nan 8.300 nan 0.000 0.541 55 H N 2.410 121.045 119.070 -0.725 0.000 3.192 55 H HA 0.211 4.767 4.556 -0.000 0.000 0.247 55 H C -0.297 174.735 175.328 -0.494 0.000 1.203 55 H CA -0.900 54.874 56.048 -0.457 0.000 0.973 55 H CB -0.828 28.996 29.762 0.104 0.000 2.500 55 H HN 0.494 nan 8.280 nan 0.000 0.678 56 K N 2.129 121.915 120.400 -1.024 0.000 2.484 56 K HA 0.125 4.445 4.320 -0.000 0.000 0.280 56 K C 0.610 177.164 176.600 -0.077 0.000 1.013 56 K CA 1.275 57.348 56.287 -0.357 0.000 1.029 56 K CB 0.249 32.605 32.500 -0.239 0.000 0.902 56 K HN 0.699 nan 8.250 nan 0.000 0.481 57 S N 1.073 116.806 115.700 0.055 0.000 2.205 57 S HA -0.146 4.324 4.470 -0.000 0.000 0.252 57 S C -0.161 174.469 174.600 0.049 0.000 1.223 57 S CA 0.457 58.698 58.200 0.069 0.000 1.349 57 S CB -1.352 61.914 63.200 0.110 0.000 1.671 57 S HN 0.414 nan 8.310 nan 0.000 0.604 58 L N 2.679 123.904 121.223 0.004 0.000 2.479 58 L HA 0.636 4.976 4.340 -0.000 0.000 0.249 58 L C -2.107 174.617 176.870 -0.244 0.000 1.178 58 L CA -1.791 52.978 54.840 -0.118 0.000 0.811 58 L CB -0.361 41.596 42.059 -0.171 0.000 1.187 58 L HN 0.047 nan 8.230 nan 0.000 0.480 59 P HA 0.211 nan 4.420 nan 0.000 0.271 59 P C -1.513 175.570 177.300 -0.360 0.000 1.220 59 P CA 0.087 63.079 63.100 -0.180 0.000 0.768 59 P CB 0.426 32.065 31.700 -0.102 0.000 0.848 60 H N -0.482 118.562 119.070 -0.043 0.000 2.797 60 H HA 0.356 4.912 4.556 -0.000 0.000 0.372 60 H C 0.246 175.572 175.328 -0.004 0.000 1.168 60 H CA -0.566 55.458 56.048 -0.040 0.000 1.163 60 H CB 0.847 30.584 29.762 -0.042 0.000 1.778 60 H HN 0.380 nan 8.280 nan 0.000 0.551 61 D N -0.450 120.038 120.400 0.145 0.000 2.398 61 D HA -0.041 4.599 4.640 -0.000 0.000 0.264 61 D C 0.247 176.644 176.300 0.162 0.000 1.263 61 D CA -0.339 53.730 54.000 0.115 0.000 1.037 61 D CB 0.471 41.323 40.800 0.087 0.000 1.101 61 D HN 0.440 nan 8.370 nan 0.000 0.551 62 D N -1.145 119.352 120.400 0.161 0.000 2.363 62 D HA 0.030 4.669 4.640 -0.000 0.000 0.226 62 D C 1.026 177.527 176.300 0.336 0.000 1.020 62 D CA 0.334 54.474 54.000 0.233 0.000 0.892 62 D CB 0.046 40.958 40.800 0.187 0.000 0.900 62 D HN 0.313 nan 8.370 nan 0.000 0.531 63 L N -0.655 120.734 121.223 0.278 0.000 2.700 63 L HA 0.243 4.582 4.340 -0.000 0.000 0.234 63 L C 1.304 178.402 176.870 0.380 0.000 1.156 63 L CA -0.099 54.930 54.840 0.315 0.000 0.946 63 L CB 0.231 42.394 42.059 0.174 0.000 1.216 63 L HN -0.000 nan 8.230 nan 0.000 0.493 64 G N 0.263 109.278 108.800 0.357 0.000 2.153 64 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.252 64 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.252 64 G C 0.189 175.231 174.900 0.238 0.000 0.994 64 G CA 0.002 45.254 45.100 0.253 0.000 0.698 64 G HN 0.487 nan 8.290 nan 0.000 0.521 65 Q N -0.250 119.690 119.800 0.233 0.000 2.274 65 Q HA 0.548 4.888 4.340 -0.000 0.000 0.256 65 Q C 0.585 176.644 176.000 0.099 0.000 0.927 65 Q CA -0.619 55.277 55.803 0.155 0.000 0.939 65 Q CB 2.556 31.344 28.738 0.085 0.000 1.201 65 Q HN 0.228 nan 8.270 nan 0.000 0.426 66 V N 2.713 122.561 119.914 -0.110 0.000 2.872 66 V HA -0.099 4.021 4.120 -0.000 0.000 0.307 66 V C -0.089 175.856 176.094 -0.248 0.000 1.072 66 V CA 0.351 62.407 62.300 -0.408 0.000 1.148 66 V CB 1.157 32.406 31.823 -0.956 0.000 0.954 66 V HN 0.821 nan 8.190 nan 0.000 0.490 67 D N 4.411 124.673 120.400 -0.230 0.000 2.383 67 D HA 0.388 5.028 4.640 -0.000 0.000 0.252 67 D C 0.898 177.162 176.300 -0.060 0.000 1.166 67 D CA 0.590 54.522 54.000 -0.113 0.000 0.879 67 D CB 1.581 42.324 40.800 -0.095 0.000 1.164 67 D HN 0.699 nan 8.370 nan 0.000 0.462 68 A N 4.062 126.865 122.820 -0.029 0.000 1.865 68 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 68 A C 1.808 179.428 177.584 0.060 0.000 1.191 68 A CA 1.716 53.764 52.037 0.018 0.000 0.623 68 A CB -0.574 18.431 19.000 0.007 0.000 0.826 68 A HN 0.741 nan 8.150 nan 0.000 0.444 69 D N -0.023 120.394 120.400 0.029 0.000 2.104 69 D HA -0.086 4.554 4.640 -0.000 0.000 0.194 69 D C 2.247 178.564 176.300 0.030 0.000 0.994 69 D CA 1.685 55.702 54.000 0.028 0.000 0.830 69 D CB -0.562 40.244 40.800 0.010 0.000 0.959 69 D HN 0.434 nan 8.370 nan 0.000 0.452 70 A N 0.299 123.128 122.820 0.015 0.000 1.902 70 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 70 A C 2.145 179.752 177.584 0.037 0.000 1.181 70 A CA 1.107 53.147 52.037 0.005 0.000 0.623 70 A CB -1.048 17.931 19.000 -0.035 0.000 0.818 70 A HN 0.250 nan 8.150 nan 0.000 0.443 71 F N 0.884 120.799 119.950 -0.057 0.000 2.171 71 F HA -0.065 4.462 4.527 -0.000 0.000 0.300 71 F C 2.499 178.318 175.800 0.031 0.000 1.090 71 F CA 1.112 59.105 58.000 -0.013 0.000 1.293 71 F CB -0.305 38.669 39.000 -0.044 0.000 1.013 71 F HN 0.245 nan 8.300 nan 0.000 0.486 72 A N 0.044 122.916 122.820 0.087 0.000 1.969 72 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 72 A C 2.344 179.902 177.584 -0.043 0.000 1.169 72 A CA 1.501 53.554 52.037 0.026 0.000 0.635 72 A CB -1.397 17.643 19.000 0.067 0.000 0.810 72 A HN 0.446 nan 8.150 nan 0.000 0.445 73 A N -0.664 122.134 122.820 -0.037 0.000 1.968 73 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 73 A C 2.058 179.600 177.584 -0.069 0.000 1.169 73 A CA 1.479 53.493 52.037 -0.038 0.000 0.638 73 A CB -0.459 18.529 19.000 -0.020 0.000 0.812 73 A HN 0.636 nan 8.150 nan 0.000 0.446 74 L N 0.180 121.326 121.223 -0.129 0.000 2.056 74 L HA -0.096 4.244 4.340 -0.000 0.000 0.207 74 L C 2.066 178.846 176.870 -0.150 0.000 1.078 74 L CA 2.289 57.049 54.840 -0.133 0.000 0.749 74 L CB -0.600 41.359 42.059 -0.167 0.000 0.901 74 L HN 0.496 nan 8.230 nan 0.000 0.433 75 E N -0.553 119.497 120.200 -0.251 0.000 2.110 75 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 75 E C 1.774 178.351 176.600 -0.039 0.000 0.988 75 E CA 1.387 57.706 56.400 -0.135 0.000 0.804 75 E CB -0.151 29.478 29.700 -0.118 0.000 0.745 75 E HN 0.586 nan 8.360 nan 0.000 0.458 76 D N -0.028 120.348 120.400 -0.040 0.000 2.104 76 D HA -0.193 4.446 4.640 -0.000 0.000 0.194 76 D C 2.081 178.374 176.300 -0.012 0.000 0.994 76 D CA 1.322 55.312 54.000 -0.017 0.000 0.830 76 D CB -0.131 40.656 40.800 -0.021 0.000 0.959 76 D HN 0.212 nan 8.370 nan 0.000 0.452 77 c N 0.028 118.613 118.600 -0.025 0.000 2.432 77 c HA -0.101 4.469 4.570 -0.000 0.000 0.277 77 c C 2.635 176.715 174.090 -0.017 0.000 1.249 77 c CA 0.429 56.738 56.329 -0.033 0.000 1.725 77 c CB -1.335 41.142 42.510 -0.055 0.000 2.028 77 c HN 0.352 nan 8.230 nan 0.000 0.477 78 I N 0.620 121.192 120.570 0.003 0.000 2.226 78 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 78 I C 2.532 178.770 176.117 0.202 0.000 1.100 78 I CA 1.498 62.837 61.300 0.064 0.000 1.374 78 I CB -0.567 37.507 38.000 0.124 0.000 1.057 78 I HN 0.412 nan 8.210 nan 0.000 0.413 79 L N 0.930 122.242 121.223 0.148 0.000 2.027 79 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 79 L C 1.893 178.785 176.870 0.036 0.000 1.074 79 L CA 1.970 56.902 54.840 0.154 0.000 0.745 79 L CB -0.774 41.325 42.059 0.067 0.000 0.898 79 L HN 0.216 nan 8.230 nan 0.000 0.433 80 N N 0.190 118.882 118.700 -0.013 0.000 2.398 80 N HA 0.057 4.796 4.740 -0.000 0.000 0.188 80 N C 1.016 176.435 175.510 -0.153 0.000 1.122 80 N CA 0.849 53.834 53.050 -0.109 0.000 0.866 80 N CB -0.005 38.446 38.487 -0.059 0.000 0.970 80 N HN 0.495 nan 8.380 nan 0.000 0.462 81 G N 1.884 110.654 108.800 -0.050 0.000 2.390 81 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.299 81 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.299 81 G C -0.493 174.394 174.900 -0.021 0.000 1.002 81 G CA 0.544 45.663 45.100 0.032 0.000 0.979 81 G HN 0.400 nan 8.290 nan 0.000 0.513 82 D N -0.598 119.788 120.400 -0.023 0.000 2.593 82 D HA 0.339 4.979 4.640 -0.000 0.000 0.251 82 D C 1.570 177.855 176.300 -0.024 0.000 1.140 82 D CA -0.780 53.203 54.000 -0.029 0.000 0.855 82 D CB 1.136 41.914 40.800 -0.036 0.000 1.267 82 D HN 0.027 nan 8.370 nan 0.000 0.532 83 L N 2.409 123.619 121.223 -0.022 0.000 2.012 83 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 83 L C 2.428 179.286 176.870 -0.020 0.000 1.073 83 L CA 1.052 55.879 54.840 -0.023 0.000 0.748 83 L CB -0.370 41.678 42.059 -0.018 0.000 0.891 83 L HN 0.388 nan 8.230 nan 0.000 0.431 84 S N -0.043 115.647 115.700 -0.018 0.000 2.370 84 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 84 S C 1.914 176.505 174.600 -0.016 0.000 1.033 84 S CA 1.228 59.420 58.200 -0.015 0.000 1.011 84 S CB -0.226 62.966 63.200 -0.013 0.000 0.852 84 S HN 0.301 nan 8.310 nan 0.000 0.457 85 I N 0.707 121.266 120.570 -0.019 0.000 2.315 85 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 85 I C 2.367 178.471 176.117 -0.022 0.000 1.117 85 I CA 0.755 62.043 61.300 -0.020 0.000 1.404 85 I CB -0.434 37.552 38.000 -0.022 0.000 1.071 85 I HN 0.404 nan 8.210 nan 0.000 0.419 86 c N 0.610 119.193 118.600 -0.029 0.000 2.419 86 c HA -0.095 4.475 4.570 -0.000 0.000 0.281 86 c C 2.523 176.602 174.090 -0.018 0.000 1.336 86 c CA 0.515 56.823 56.329 -0.036 0.000 1.770 86 c CB -0.962 41.511 42.510 -0.061 0.000 1.929 86 c HN 0.456 nan 8.230 nan 0.000 0.509 87 E N 0.787 120.980 120.200 -0.012 0.000 2.418 87 E HA -0.087 4.263 4.350 -0.000 0.000 0.197 87 E C 1.134 177.733 176.600 -0.001 0.000 1.026 87 E CA 0.834 57.233 56.400 -0.003 0.000 0.862 87 E CB -0.389 29.310 29.700 -0.003 0.000 0.799 87 E HN 0.642 nan 8.360 nan 0.000 0.518 88 D N 0.010 120.407 120.400 -0.005 0.000 2.349 88 D HA -0.006 4.634 4.640 -0.000 0.000 0.215 88 D C 0.205 176.504 176.300 -0.003 0.000 1.016 88 D CA 0.093 54.090 54.000 -0.004 0.000 0.870 88 D CB 0.556 41.352 40.800 -0.007 0.000 0.917 88 D HN -0.070 nan 8.370 nan 0.000 0.524 89 V N 3.209 123.122 119.914 -0.001 0.000 2.479 89 V HA 0.096 4.215 4.120 -0.000 0.000 0.281 89 V C -1.844 174.255 176.094 0.008 0.000 1.031 89 V CA -1.240 61.062 62.300 0.004 0.000 1.038 89 V CB 0.554 32.386 31.823 0.015 0.000 0.981 89 V HN -0.048 nan 8.190 nan 0.000 0.478 90 P HA 0.141 nan 4.420 nan 0.000 0.267 90 P C -0.569 176.731 177.300 0.000 0.000 1.200 90 P CA 0.106 63.204 63.100 -0.004 0.000 0.772 90 P CB 0.680 32.371 31.700 -0.016 0.000 0.855 91 V N 2.074 121.990 119.914 0.003 0.000 2.667 91 V HA 0.596 4.716 4.120 -0.000 0.000 0.308 91 V C 1.162 177.254 176.094 -0.004 0.000 1.048 91 V CA -0.015 62.291 62.300 0.010 0.000 0.928 91 V CB 1.580 33.417 31.823 0.023 0.000 1.004 91 V HN 0.711 nan 8.190 nan 0.000 0.444 92 G N 4.206 113.003 108.800 -0.004 0.000 2.985 92 G HA2 0.092 4.052 3.960 -0.000 0.000 0.209 92 G HA3 0.092 4.052 3.960 -0.000 0.000 0.209 92 G C 0.418 175.319 174.900 0.002 0.000 1.165 92 G CA 0.056 45.153 45.100 -0.006 0.000 0.776 92 G HN 0.660 nan 8.290 nan 0.000 0.541 93 N N -0.111 118.591 118.700 0.003 0.000 2.425 93 N HA 0.086 4.826 4.740 -0.000 0.000 0.289 93 N C 0.251 175.764 175.510 0.005 0.000 1.074 93 N CA -0.095 52.956 53.050 0.001 0.000 0.905 93 N CB 1.834 40.317 38.487 -0.007 0.000 1.586 93 N HN -0.063 nan 8.380 nan 0.000 0.490 94 S N 1.787 117.490 115.700 0.005 0.000 2.614 94 S HA 0.148 4.618 4.470 -0.000 0.000 0.230 94 S C 0.555 175.160 174.600 0.008 0.000 0.952 94 S CA -0.184 58.021 58.200 0.007 0.000 0.949 94 S CB -0.149 63.055 63.200 0.006 0.000 0.786 94 S HN 0.656 nan 8.310 nan 0.000 0.478 95 E N 1.182 121.386 120.200 0.007 0.000 2.511 95 E HA 0.188 4.538 4.350 -0.000 0.000 0.196 95 E C 1.325 177.931 176.600 0.010 0.000 1.066 95 E CA 0.182 56.586 56.400 0.007 0.000 0.871 95 E CB -0.361 29.341 29.700 0.004 0.000 0.863 95 E HN 0.739 nan 8.360 nan 0.000 0.520 96 G N 2.437 111.245 108.800 0.014 0.000 2.168 96 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.257 96 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.257 96 G C -0.081 174.831 174.900 0.021 0.000 0.997 96 G CA 0.449 45.560 45.100 0.018 0.000 0.708 96 G HN 0.366 nan 8.290 nan 0.000 0.520 97 D N 0.288 120.700 120.400 0.020 0.000 2.382 97 D HA 0.259 4.898 4.640 -0.000 0.000 0.245 97 D C -0.300 176.020 176.300 0.034 0.000 1.120 97 D CA -1.233 52.781 54.000 0.023 0.000 0.890 97 D CB 1.249 42.059 40.800 0.017 0.000 1.201 97 D HN 0.102 nan 8.370 nan 0.000 0.433 98 P HA -0.115 nan 4.420 nan 0.000 0.222 98 P C 1.495 178.836 177.300 0.068 0.000 1.147 98 P CA 0.664 63.795 63.100 0.051 0.000 0.790 98 P CB -0.055 31.673 31.700 0.046 0.000 0.780 99 V N -2.677 117.274 119.914 0.061 0.000 2.759 99 V HA 0.005 4.125 4.120 -0.000 0.000 0.256 99 V C 2.116 178.259 176.094 0.082 0.000 1.080 99 V CA 2.027 64.370 62.300 0.073 0.000 1.101 99 V CB -1.975 29.880 31.823 0.054 0.000 0.698 99 V HN 0.105 nan 8.190 nan 0.000 0.477 100 G N 0.078 108.920 108.800 0.070 0.000 2.650 100 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.214 100 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.214 100 G C 0.955 175.923 174.900 0.113 0.000 1.136 100 G CA -0.354 44.793 45.100 0.077 0.000 0.789 100 G HN 0.560 nan 8.290 nan 0.000 0.536 101 R N -0.028 120.545 120.500 0.122 0.000 2.543 101 R HA 0.333 4.673 4.340 -0.000 0.000 0.277 101 R C -0.052 176.380 176.300 0.219 0.000 1.074 101 R CA -0.469 55.715 56.100 0.141 0.000 1.076 101 R CB 0.953 31.323 30.300 0.117 0.000 0.993 101 R HN 0.103 nan 8.270 nan 0.000 0.459 102 L N 2.958 124.319 121.223 0.229 0.000 2.513 102 L HA 0.025 4.364 4.340 -0.000 0.000 0.272 102 L C -0.017 177.058 176.870 0.343 0.000 1.187 102 L CA -0.198 54.848 54.840 0.343 0.000 0.895 102 L CB 0.572 42.762 42.059 0.218 0.000 1.147 102 L HN 0.382 nan 8.230 nan 0.000 0.483 103 V N 4.628 124.869 119.914 0.546 0.000 2.326 103 V HA -0.008 4.112 4.120 -0.000 0.000 0.249 103 V C 0.966 177.403 176.094 0.572 0.000 1.114 103 V CA -0.043 62.581 62.300 0.540 0.000 1.028 103 V CB -0.507 31.739 31.823 0.706 0.000 1.170 103 V HN 1.006 nan 8.190 nan 0.000 0.494 104 N N 4.306 123.152 118.700 0.243 0.000 2.688 104 N HA -0.134 4.606 4.740 -0.000 0.000 0.258 104 N C -1.377 174.145 175.510 0.020 0.000 1.016 104 N CA 0.216 53.321 53.050 0.092 0.000 0.747 104 N CB 0.395 38.877 38.487 -0.008 0.000 0.895 104 N HN 0.488 nan 8.380 nan 0.000 0.543 105 P HA -0.162 nan 4.420 nan 0.000 0.222 105 P C 1.193 178.204 177.300 -0.483 0.000 1.147 105 P CA 1.546 63.988 63.100 -1.098 0.000 0.790 105 P CB -0.126 30.853 31.700 -1.201 0.000 0.780 106 T N -4.246 110.188 114.554 -0.200 0.000 3.129 106 T HA 0.367 4.716 4.350 -0.000 0.000 0.251 106 T C 1.839 176.513 174.700 -0.043 0.000 1.117 106 T CA 0.446 62.525 62.100 -0.036 0.000 1.034 106 T CB -0.575 68.299 68.868 0.010 0.000 0.968 106 T HN -0.031 nan 8.240 nan 0.000 0.526 107 A N 1.876 124.657 122.820 -0.066 0.000 1.908 107 A HA 0.211 4.530 4.320 -0.000 0.000 0.218 107 A C 2.802 180.273 177.584 -0.188 0.000 1.181 107 A CA 1.752 53.715 52.037 -0.124 0.000 0.627 107 A CB -1.432 17.411 19.000 -0.263 0.000 0.818 107 A HN 0.780 nan 8.150 nan 0.000 0.445 108 A N -0.890 121.785 122.820 -0.241 0.000 1.948 108 A HA -0.042 4.277 4.320 -0.000 0.000 0.220 108 A C 0.958 177.880 177.584 -1.102 0.000 1.177 108 A CA 0.993 52.695 52.037 -0.559 0.000 0.636 108 A CB -0.738 17.937 19.000 -0.541 0.000 0.815 108 A HN 0.433 nan 8.150 nan 0.000 0.449 109 F N 0.442 120.052 119.950 -0.567 0.000 2.651 109 F HA 0.484 5.011 4.527 -0.000 0.000 0.369 109 F C 0.748 176.380 175.800 -0.280 0.000 1.187 109 F CA 0.084 57.770 58.000 -0.523 0.000 1.335 109 F CB -0.579 38.303 39.000 -0.196 0.000 1.707 109 F HN 0.245 nan 8.300 nan 0.000 0.637 110 A N 1.627 124.345 122.820 -0.169 0.000 2.414 110 A HA 0.654 4.974 4.320 -0.000 0.000 0.286 110 A C -0.506 177.187 177.584 0.182 0.000 1.073 110 A CA -0.561 51.495 52.037 0.031 0.000 0.727 110 A CB 0.539 19.525 19.000 -0.023 0.000 1.215 110 A HN 0.351 nan 8.150 nan 0.000 0.430 111 I N 3.432 124.137 120.570 0.225 0.000 2.329 111 I HA 0.096 4.266 4.170 -0.000 0.000 0.295 111 I C -0.313 175.871 176.117 0.111 0.000 1.109 111 I CA -0.158 61.267 61.300 0.209 0.000 1.297 111 I CB 0.406 38.494 38.000 0.146 0.000 1.433 111 I HN 0.552 nan 8.210 nan 0.000 0.509 112 D N 5.978 126.438 120.400 0.099 0.000 2.382 112 D HA 0.071 4.711 4.640 -0.000 0.000 0.245 112 D C 1.194 177.515 176.300 0.035 0.000 1.120 112 D CA -0.011 54.021 54.000 0.053 0.000 0.890 112 D CB 2.400 43.227 40.800 0.044 0.000 1.201 112 D HN 0.530 nan 8.370 nan 0.000 0.433 113 I N 1.149 121.734 120.570 0.025 0.000 2.439 113 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 113 I C 1.206 177.326 176.117 0.005 0.000 1.139 113 I CA 0.707 62.016 61.300 0.014 0.000 1.438 113 I CB 0.236 38.245 38.000 0.016 0.000 1.085 113 I HN 0.286 nan 8.210 nan 0.000 0.427 114 S N -0.078 115.627 115.700 0.009 0.000 2.672 114 S HA 0.630 5.100 4.470 -0.000 0.000 0.276 114 S C 0.440 175.042 174.600 0.004 0.000 1.207 114 S CA -0.007 58.195 58.200 0.004 0.000 1.002 114 S CB 1.338 64.544 63.200 0.010 0.000 0.998 114 S HN 0.716 nan 8.310 nan 0.000 0.542 115 G N 1.166 109.965 108.800 -0.001 0.000 2.749 115 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.242 115 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.242 115 G C -2.883 172.012 174.900 -0.008 0.000 1.364 115 G CA -0.382 44.718 45.100 -0.000 0.000 0.888 115 G HN 0.864 nan 8.290 nan 0.000 0.566 116 P HA 0.514 nan 4.420 nan 0.000 0.276 116 P C 0.340 177.620 177.300 -0.034 0.000 1.230 116 P CA 0.591 63.677 63.100 -0.022 0.000 0.776 116 P CB 0.971 32.666 31.700 -0.010 0.000 0.888 117 A N 3.455 126.225 122.820 -0.084 0.000 2.429 117 A HA 0.152 4.472 4.320 -0.000 0.000 0.242 117 A C 1.234 178.714 177.584 -0.173 0.000 1.088 117 A CA -0.283 51.669 52.037 -0.141 0.000 0.784 117 A CB -0.615 18.227 19.000 -0.263 0.000 1.038 117 A HN 0.636 nan 8.150 nan 0.000 0.501 118 F N 0.374 120.239 119.950 -0.142 0.000 2.202 118 F HA -0.116 4.411 4.527 -0.000 0.000 0.301 118 F C 1.820 177.419 175.800 -0.335 0.000 1.082 118 F CA 1.466 59.336 58.000 -0.216 0.000 1.313 118 F CB -0.803 38.023 39.000 -0.290 0.000 1.024 118 F HN 0.349 nan 8.300 nan 0.000 0.495 119 S N -0.303 114.860 115.700 -0.894 0.000 2.597 119 S HA 0.564 5.034 4.470 -0.000 0.000 0.224 119 S C 1.457 175.941 174.600 -0.194 0.000 0.955 119 S CA -0.117 57.768 58.200 -0.526 0.000 0.933 119 S CB -0.144 62.682 63.200 -0.623 0.000 0.788 119 S HN 0.472 nan 8.310 nan 0.000 0.488 120 A N 1.538 124.253 122.820 -0.174 0.000 2.218 120 A HA 0.342 4.661 4.320 -0.000 0.000 0.209 120 A C 1.233 178.805 177.584 -0.020 0.000 1.168 120 A CA 0.679 52.663 52.037 -0.088 0.000 0.804 120 A CB -0.413 18.529 19.000 -0.096 0.000 0.834 120 A HN 0.660 nan 8.150 nan 0.000 0.482 121 T N -2.572 111.994 114.554 0.020 0.000 2.930 121 T HA 0.650 4.999 4.350 -0.000 0.000 0.290 121 T C -0.328 174.429 174.700 0.094 0.000 1.052 121 T CA 0.024 62.151 62.100 0.045 0.000 1.017 121 T CB 1.706 70.602 68.868 0.047 0.000 1.137 121 T HN 0.440 nan 8.240 nan 0.000 0.511 122 T N -1.292 113.312 114.554 0.083 0.000 2.883 122 T HA 0.770 5.120 4.350 -0.000 0.000 0.296 122 T C -0.576 174.183 174.700 0.099 0.000 1.117 122 T CA -1.064 61.105 62.100 0.114 0.000 1.006 122 T CB 1.321 70.250 68.868 0.101 0.000 1.191 122 T HN 1.188 nan 8.240 nan 0.000 0.508 123 I N -1.950 118.704 120.570 0.139 0.000 2.828 123 I HA 0.782 4.952 4.170 -0.000 0.000 0.302 123 I C -3.151 173.069 176.117 0.171 0.000 1.101 123 I CA -3.201 58.154 61.300 0.092 0.000 1.031 123 I CB 2.082 40.044 38.000 -0.064 0.000 1.231 123 I HN 0.368 nan 8.210 nan 0.000 0.427 124 P HA 0.333 nan 4.420 nan 0.000 0.272 124 P C -2.581 174.744 177.300 0.042 0.000 1.230 124 P CA -0.960 62.194 63.100 0.089 0.000 0.788 124 P CB -0.301 31.419 31.700 0.034 0.000 0.949 125 P HA -0.006 nan 4.420 nan 0.000 0.268 125 P C -0.538 176.507 177.300 -0.424 0.000 1.208 125 P CA 0.177 63.241 63.100 -0.060 0.000 0.777 125 P CB 0.264 31.944 31.700 -0.032 0.000 0.875 126 V N 4.400 123.891 119.914 -0.704 0.000 2.834 126 V HA 0.204 4.324 4.120 -0.000 0.000 0.301 126 V C -1.971 173.675 176.094 -0.747 0.000 1.066 126 V CA -1.731 59.842 62.300 -1.212 0.000 1.052 126 V CB 0.326 31.102 31.823 -1.744 0.000 1.021 126 V HN 0.546 nan 8.190 nan 0.000 0.480 127 P HA 0.099 nan 4.420 nan 0.000 0.265 127 P C 0.161 177.318 177.300 -0.238 0.000 1.193 127 P CA 0.135 63.024 63.100 -0.352 0.000 0.765 127 P CB 0.131 31.688 31.700 -0.238 0.000 0.823 128 T N 0.569 115.070 114.554 -0.090 0.000 2.766 128 T HA 0.071 4.421 4.350 -0.000 0.000 0.295 128 T C 1.269 176.009 174.700 0.067 0.000 1.024 128 T CA -0.627 61.477 62.100 0.007 0.000 1.018 128 T CB 0.257 69.123 68.868 -0.004 0.000 1.002 128 T HN 0.285 nan 8.240 nan 0.000 0.532 129 L N 0.846 122.116 121.223 0.078 0.000 2.079 129 L HA 0.053 4.393 4.340 -0.000 0.000 0.210 129 L C -0.759 176.107 176.870 -0.006 0.000 1.081 129 L CA 1.202 56.065 54.840 0.038 0.000 0.752 129 L CB -0.944 41.053 42.059 -0.104 0.000 0.896 129 L HN 0.572 nan 8.230 nan 0.000 0.433 130 P HA -0.005 nan 4.420 nan 0.000 0.241 130 P C 0.172 177.501 177.300 0.048 0.000 1.191 130 P CA 0.382 63.474 63.100 -0.012 0.000 0.771 130 P CB 0.002 31.680 31.700 -0.038 0.000 0.929 131 S N -0.230 115.505 115.700 0.057 0.000 2.585 131 S HA 0.203 4.672 4.470 -0.000 0.000 0.273 131 S C -1.439 173.214 174.600 0.088 0.000 1.339 131 S CA -1.066 57.166 58.200 0.054 0.000 1.028 131 S CB 0.303 63.519 63.200 0.026 0.000 0.906 131 S HN -0.057 nan 8.310 nan 0.000 0.528 132 P HA -0.047 nan 4.420 nan 0.000 0.218 132 P C 0.898 178.259 177.300 0.101 0.000 1.149 132 P CA 1.131 64.282 63.100 0.087 0.000 0.817 132 P CB 0.019 31.759 31.700 0.068 0.000 0.785 133 E N -0.080 120.167 120.200 0.079 0.000 2.047 133 E HA -0.130 4.219 4.350 -0.000 0.000 0.191 133 E C 2.038 178.715 176.600 0.129 0.000 0.987 133 E CA 0.682 57.132 56.400 0.083 0.000 0.799 133 E CB -1.377 28.345 29.700 0.037 0.000 0.752 133 E HN 0.122 nan 8.360 nan 0.000 0.449 134 L N 0.481 121.784 121.223 0.134 0.000 2.042 134 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 134 L C 2.097 179.109 176.870 0.236 0.000 1.076 134 L CA 2.052 57.014 54.840 0.204 0.000 0.749 134 L CB -0.601 41.592 42.059 0.223 0.000 0.893 134 L HN 0.142 nan 8.230 nan 0.000 0.432 135 A N -0.340 122.608 122.820 0.214 0.000 1.883 135 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 135 A C 2.446 180.135 177.584 0.175 0.000 1.186 135 A CA 2.098 54.246 52.037 0.185 0.000 0.624 135 A CB -1.268 17.823 19.000 0.151 0.000 0.822 135 A HN 0.608 nan 8.150 nan 0.000 0.444 136 A N -1.464 121.468 122.820 0.186 0.000 1.929 136 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 136 A C 2.139 179.867 177.584 0.240 0.000 1.176 136 A CA 1.425 53.602 52.037 0.233 0.000 0.628 136 A CB -0.417 18.743 19.000 0.267 0.000 0.816 136 A HN 0.552 nan 8.150 nan 0.000 0.444 137 Q N -0.879 119.035 119.800 0.190 0.000 2.050 137 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 137 Q C 2.141 178.266 176.000 0.209 0.000 0.980 137 Q CA 1.510 57.392 55.803 0.132 0.000 0.840 137 Q CB -0.550 28.219 28.738 0.051 0.000 0.898 137 Q HN 0.574 nan 8.270 nan 0.000 0.424 138 L N 0.825 122.221 121.223 0.288 0.000 2.017 138 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 138 L C 2.217 179.265 176.870 0.296 0.000 1.073 138 L CA 2.139 57.176 54.840 0.327 0.000 0.745 138 L CB -0.974 41.295 42.059 0.349 0.000 0.894 138 L HN 0.135 nan 8.230 nan 0.000 0.432 139 A N -0.893 122.075 122.820 0.247 0.000 1.908 139 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 139 A C 2.330 180.138 177.584 0.373 0.000 1.181 139 A CA 1.884 54.072 52.037 0.252 0.000 0.627 139 A CB -0.771 18.378 19.000 0.248 0.000 0.818 139 A HN 0.631 nan 8.150 nan 0.000 0.445 140 E N -0.187 120.224 120.200 0.352 0.000 2.110 140 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 140 E C 1.838 178.555 176.600 0.195 0.000 0.988 140 E CA 1.478 58.101 56.400 0.371 0.000 0.804 140 E CB -0.133 29.746 29.700 0.298 0.000 0.745 140 E HN 0.364 nan 8.360 nan 0.000 0.458 141 V N 0.345 120.296 119.914 0.061 0.000 2.343 141 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 141 V C 1.914 177.938 176.094 -0.116 0.000 1.051 141 V CA 1.819 64.051 62.300 -0.114 0.000 1.036 141 V CB -0.753 30.941 31.823 -0.214 0.000 0.654 141 V HN 0.347 nan 8.190 nan 0.000 0.451 142 Y N -1.266 118.978 120.300 -0.093 0.000 2.145 142 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 142 Y C 2.308 178.110 175.900 -0.162 0.000 1.145 142 Y CA 2.098 60.090 58.100 -0.180 0.000 1.148 142 Y CB -0.462 37.834 38.460 -0.273 0.000 0.981 142 Y HN 0.203 nan 8.280 nan 0.000 0.507 143 W N -0.750 120.643 121.300 0.155 0.000 2.402 143 W HA -0.188 4.472 4.660 -0.000 0.000 0.286 143 W C 2.403 178.988 176.519 0.110 0.000 1.221 143 W CA 0.931 58.370 57.345 0.157 0.000 1.257 143 W CB -0.375 29.234 29.460 0.248 0.000 1.120 143 W HN 0.042 nan 8.180 nan 0.000 0.551 144 M N -0.281 119.366 119.600 0.078 0.000 2.117 144 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 144 M C 2.404 178.628 176.300 -0.126 0.000 1.065 144 M CA 1.959 57.058 55.300 -0.336 0.000 1.114 144 M CB -0.726 31.521 32.600 -0.589 0.000 1.361 144 M HN 0.060 nan 8.290 nan 0.000 0.408 145 A N 0.466 123.217 122.820 -0.115 0.000 1.877 145 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 145 A C 2.054 179.595 177.584 -0.071 0.000 1.186 145 A CA 1.439 53.400 52.037 -0.127 0.000 0.620 145 A CB -1.001 17.886 19.000 -0.187 0.000 0.822 145 A HN 0.473 nan 8.150 nan 0.000 0.443 146 L N -1.087 120.124 121.223 -0.020 0.000 2.131 146 L HA -0.140 4.199 4.340 -0.000 0.000 0.210 146 L C 2.622 179.531 176.870 0.065 0.000 1.092 146 L CA 0.988 55.834 54.840 0.010 0.000 0.759 146 L CB -0.374 41.695 42.059 0.016 0.000 0.903 146 L HN 0.438 nan 8.230 nan 0.000 0.435 147 A N -0.731 122.160 122.820 0.119 0.000 2.307 147 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 147 A C 2.084 179.689 177.584 0.036 0.000 1.228 147 A CA -0.110 51.983 52.037 0.092 0.000 0.857 147 A CB -0.288 18.823 19.000 0.187 0.000 0.897 147 A HN 0.230 nan 8.150 nan 0.000 0.495 148 R N 0.581 121.079 120.500 -0.004 0.000 2.119 148 R HA -0.161 4.178 4.340 -0.000 0.000 0.246 148 R C 0.267 176.543 176.300 -0.041 0.000 1.146 148 R CA 1.735 57.816 56.100 -0.031 0.000 0.962 148 R CB -0.144 30.123 30.300 -0.054 0.000 0.863 148 R HN 0.460 nan 8.270 nan 0.000 0.442 149 D N -0.033 120.347 120.400 -0.033 0.000 2.342 149 D HA 0.059 4.699 4.640 -0.000 0.000 0.221 149 D C -0.387 175.895 176.300 -0.031 0.000 1.101 149 D CA 0.179 54.159 54.000 -0.033 0.000 0.837 149 D CB 0.550 41.336 40.800 -0.023 0.000 0.938 149 D HN -0.049 nan 8.370 nan 0.000 0.508 150 V N 2.829 122.730 119.914 -0.022 0.000 2.461 150 V HA 0.177 4.297 4.120 -0.000 0.000 0.275 150 V C -2.099 173.992 176.094 -0.005 0.000 1.047 150 V CA -1.623 60.685 62.300 0.013 0.000 0.955 150 V CB 1.248 33.079 31.823 0.014 0.000 0.988 150 V HN -0.120 nan 8.190 nan 0.000 0.471 151 P HA 0.142 nan 4.420 nan 0.000 0.268 151 P C 0.437 177.697 177.300 -0.067 0.000 1.204 151 P CA -0.096 62.949 63.100 -0.090 0.000 0.768 151 P CB 0.341 32.049 31.700 0.013 0.000 0.842 152 F N 0.964 120.840 119.950 -0.124 0.000 2.154 152 F HA -0.191 4.336 4.527 -0.000 0.000 0.301 152 F C 2.122 177.756 175.800 -0.276 0.000 1.087 152 F CA 1.614 59.321 58.000 -0.488 0.000 1.274 152 F CB -0.945 37.770 39.000 -0.475 0.000 1.009 152 F HN 0.271 nan 8.300 nan 0.000 0.485 153 M N -0.732 118.907 119.600 0.066 0.000 2.619 153 M HA -0.074 4.406 4.480 -0.000 0.000 0.251 153 M C 1.133 177.482 176.300 0.081 0.000 1.106 153 M CA 1.087 56.402 55.300 0.025 0.000 1.086 153 M CB -1.027 31.580 32.600 0.010 0.000 1.465 153 M HN 0.289 nan 8.290 nan 0.000 0.506 154 Q N -1.683 118.200 119.800 0.138 0.000 2.198 154 Q HA 0.043 4.382 4.340 -0.000 0.000 0.209 154 Q C 0.949 177.075 176.000 0.210 0.000 0.848 154 Q CA -0.169 55.718 55.803 0.140 0.000 0.974 154 Q CB 0.420 29.222 28.738 0.106 0.000 1.115 154 Q HN 0.303 nan 8.270 nan 0.000 0.494 155 Y N -0.018 120.293 120.300 0.018 0.000 2.224 155 Y HA -0.113 4.437 4.550 -0.000 0.000 0.289 155 Y C 2.309 178.193 175.900 -0.027 0.000 1.146 155 Y CA 1.484 59.584 58.100 -0.000 0.000 1.182 155 Y CB -0.557 37.919 38.460 0.027 0.000 0.983 155 Y HN 0.206 nan 8.280 nan 0.000 0.524 156 G N -1.948 106.934 108.800 0.138 0.000 2.598 156 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.215 156 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.215 156 G C 1.423 176.333 174.900 0.018 0.000 1.131 156 G CA 1.440 46.570 45.100 0.051 0.000 0.785 156 G HN 0.476 nan 8.290 nan 0.000 0.539 157 T N -3.951 110.620 114.554 0.027 0.000 2.975 157 T HA 0.177 4.527 4.350 -0.000 0.000 0.261 157 T C 0.371 175.069 174.700 -0.004 0.000 0.984 157 T CA -0.216 61.890 62.100 0.009 0.000 0.911 157 T CB 0.476 69.357 68.868 0.022 0.000 1.127 157 T HN 0.052 nan 8.240 nan 0.000 0.514 158 D N 1.865 122.260 120.400 -0.008 0.000 2.350 158 D HA 0.093 4.733 4.640 -0.000 0.000 0.249 158 D C 0.575 176.844 176.300 -0.052 0.000 1.119 158 D CA 0.033 54.020 54.000 -0.023 0.000 0.886 158 D CB 1.778 42.563 40.800 -0.025 0.000 1.195 158 D HN 0.116 nan 8.370 nan 0.000 0.437 159 D N 3.101 123.481 120.400 -0.034 0.000 2.133 159 D HA -0.206 4.434 4.640 -0.000 0.000 0.195 159 D C 1.907 178.182 176.300 -0.043 0.000 0.997 159 D CA 1.496 55.476 54.000 -0.034 0.000 0.840 159 D CB 0.015 40.810 40.800 -0.009 0.000 0.947 159 D HN 0.523 nan 8.370 nan 0.000 0.452 160 I N 0.086 120.644 120.570 -0.021 0.000 2.179 160 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 160 I C 2.500 178.551 176.117 -0.110 0.000 1.088 160 I CA 1.749 63.068 61.300 0.031 0.000 1.357 160 I CB -0.573 37.465 38.000 0.063 0.000 1.051 160 I HN 0.218 nan 8.210 nan 0.000 0.409 161 T N -2.327 112.088 114.554 -0.231 0.000 2.978 161 T HA 0.029 4.378 4.350 -0.000 0.000 0.262 161 T C 1.825 176.300 174.700 -0.375 0.000 1.063 161 T CA 0.522 62.372 62.100 -0.418 0.000 1.140 161 T CB -0.596 67.876 68.868 -0.660 0.000 0.886 161 T HN 0.104 nan 8.240 nan 0.000 0.470 162 V N 2.167 121.932 119.914 -0.248 0.000 2.407 162 V HA -0.161 3.958 4.120 -0.000 0.000 0.248 162 V C 2.993 178.924 176.094 -0.272 0.000 1.055 162 V CA 2.262 64.437 62.300 -0.210 0.000 1.049 162 V CB -1.153 30.595 31.823 -0.126 0.000 0.662 162 V HN 0.571 nan 8.190 nan 0.000 0.455 163 T N 0.288 114.670 114.554 -0.287 0.000 2.777 163 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 163 T C 2.105 176.359 174.700 -0.744 0.000 1.040 163 T CA 1.425 63.317 62.100 -0.347 0.000 1.141 163 T CB -0.423 68.356 68.868 -0.147 0.000 0.868 163 T HN 0.552 nan 8.240 nan 0.000 0.444 164 A N 1.632 123.768 122.820 -1.139 0.000 1.917 164 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 164 A C 2.624 179.582 177.584 -1.043 0.000 1.182 164 A CA 2.048 53.034 52.037 -1.751 0.000 0.633 164 A CB -1.130 17.189 19.000 -1.134 0.000 0.819 164 A HN 0.521 nan 8.150 nan 0.000 0.448 165 A N -0.429 121.979 122.820 -0.686 0.000 1.898 165 A HA 0.211 4.530 4.320 -0.000 0.000 0.216 165 A C 2.502 179.815 177.584 -0.452 0.000 1.181 165 A CA 2.009 53.738 52.037 -0.513 0.000 0.620 165 A CB -0.957 17.826 19.000 -0.361 0.000 0.819 165 A HN 1.065 nan 8.150 nan 0.000 0.442 166 A N 0.055 122.647 122.820 -0.380 0.000 1.898 166 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 166 A C 2.083 179.496 177.584 -0.286 0.000 1.181 166 A CA 1.661 53.531 52.037 -0.278 0.000 0.620 166 A CB -0.637 18.241 19.000 -0.204 0.000 0.819 166 A HN 0.638 nan 8.150 nan 0.000 0.442 167 N N -0.030 118.460 118.700 -0.351 0.000 2.216 167 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 167 N C 1.759 177.132 175.510 -0.229 0.000 1.017 167 N CA 1.182 54.106 53.050 -0.209 0.000 0.861 167 N CB -0.137 38.309 38.487 -0.069 0.000 0.986 167 N HN 0.478 nan 8.380 nan 0.000 0.428 168 L N 0.860 121.808 121.223 -0.458 0.000 2.072 168 L HA -0.033 4.307 4.340 -0.000 0.000 0.205 168 L C 2.612 179.015 176.870 -0.778 0.000 1.079 168 L CA 1.081 55.596 54.840 -0.543 0.000 0.752 168 L CB -0.401 41.200 42.059 -0.764 0.000 0.906 168 L HN 0.136 nan 8.230 nan 0.000 0.436 169 A N -0.040 122.312 122.820 -0.780 0.000 2.019 169 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 169 A C 2.238 179.712 177.584 -0.184 0.000 1.164 169 A CA 1.583 53.316 52.037 -0.507 0.000 0.644 169 A CB -0.981 17.825 19.000 -0.322 0.000 0.805 169 A HN 0.461 nan 8.150 nan 0.000 0.449 170 G N -1.355 107.350 108.800 -0.157 0.000 2.712 170 G HA2 0.223 4.183 3.960 -0.000 0.000 0.212 170 G HA3 0.223 4.183 3.960 -0.000 0.000 0.212 170 G C 0.672 175.566 174.900 -0.010 0.000 1.142 170 G CA -0.192 44.872 45.100 -0.062 0.000 0.789 170 G HN 0.463 nan 8.290 nan 0.000 0.535 171 M N 0.777 120.381 119.600 0.005 0.000 2.200 171 M HA 0.155 4.634 4.480 -0.000 0.000 0.355 171 M C 1.411 177.778 176.300 0.113 0.000 1.283 171 M CA -0.134 55.210 55.300 0.074 0.000 1.124 171 M CB 1.630 34.298 32.600 0.113 0.000 1.625 171 M HN 0.225 nan 8.290 nan 0.000 0.463 172 E N 2.817 123.070 120.200 0.088 0.000 2.086 172 E HA -0.213 4.137 4.350 -0.000 0.000 0.200 172 E C 1.643 178.306 176.600 0.105 0.000 1.012 172 E CA 1.920 58.370 56.400 0.083 0.000 0.812 172 E CB -0.003 29.733 29.700 0.062 0.000 0.743 172 E HN 1.037 nan 8.360 nan 0.000 0.453 173 G N -0.452 108.420 108.800 0.120 0.000 2.650 173 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.214 173 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.214 173 G C 1.179 176.158 174.900 0.132 0.000 1.136 173 G CA 0.152 45.318 45.100 0.111 0.000 0.789 173 G HN 0.330 nan 8.290 nan 0.000 0.536 174 F N 2.646 122.621 119.950 0.041 0.000 2.095 174 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 174 F C -0.094 175.725 175.800 0.031 0.000 1.104 174 F CA 1.296 59.319 58.000 0.039 0.000 1.232 174 F CB -0.574 38.444 39.000 0.030 0.000 0.987 174 F HN 0.107 nan 8.300 nan 0.000 0.475 175 P HA -0.099 nan 4.420 nan 0.000 0.225 175 P C 0.430 177.661 177.300 -0.115 0.000 1.148 175 P CA 1.236 64.294 63.100 -0.070 0.000 0.779 175 P CB -0.087 31.641 31.700 0.047 0.000 0.780 176 N N -0.950 117.700 118.700 -0.083 0.000 2.322 176 N HA 0.077 4.817 4.740 -0.000 0.000 0.194 176 N C 0.320 175.777 175.510 -0.089 0.000 1.126 176 N CA 0.156 53.168 53.050 -0.062 0.000 0.845 176 N CB -0.262 38.213 38.487 -0.019 0.000 0.976 176 N HN 0.219 nan 8.380 nan 0.000 0.475 177 L N 1.062 122.172 121.223 -0.189 0.000 2.439 177 L HA 0.102 4.442 4.340 -0.000 0.000 0.269 177 L C -0.112 176.688 176.870 -0.117 0.000 1.179 177 L CA -0.504 54.242 54.840 -0.158 0.000 0.828 177 L CB 0.306 42.199 42.059 -0.277 0.000 1.106 177 L HN -0.027 nan 8.230 nan 0.000 0.467 178 D N 2.818 123.193 120.400 -0.041 0.000 2.520 178 D HA 0.189 4.829 4.640 -0.000 0.000 0.243 178 D C 0.900 177.156 176.300 -0.073 0.000 1.160 178 D CA 0.828 54.816 54.000 -0.019 0.000 0.877 178 D CB 0.358 41.181 40.800 0.040 0.000 1.150 178 D HN 0.741 nan 8.370 nan 0.000 0.494 179 A N 1.854 124.629 122.820 -0.075 0.000 2.715 179 A HA -0.201 4.118 4.320 -0.000 0.000 0.301 179 A C 0.641 178.153 177.584 -0.119 0.000 1.515 179 A CA 0.389 52.355 52.037 -0.118 0.000 0.816 179 A CB -1.666 17.125 19.000 -0.349 0.000 1.004 179 A HN 0.554 nan 8.150 nan 0.000 0.483 180 V N 0.659 120.499 119.914 -0.123 0.000 2.599 180 V HA 0.366 4.485 4.120 -0.000 0.000 0.300 180 V C 1.072 177.125 176.094 -0.068 0.000 1.034 180 V CA 0.842 63.052 62.300 -0.151 0.000 1.115 180 V CB 1.405 32.989 31.823 -0.399 0.000 0.934 180 V HN 1.255 nan 8.190 nan 0.000 0.485 181 S N 7.386 123.092 115.700 0.010 0.000 2.481 181 S HA 0.565 5.035 4.470 -0.000 0.000 0.276 181 S C -0.573 174.081 174.600 0.091 0.000 1.247 181 S CA -0.370 57.858 58.200 0.046 0.000 1.053 181 S CB -0.164 63.075 63.200 0.064 0.000 0.925 181 S HN 0.731 nan 8.310 nan 0.000 0.491 182 I N 3.413 124.027 120.570 0.073 0.000 2.800 182 I HA 0.474 4.644 4.170 -0.000 0.000 0.294 182 I C 0.260 176.417 176.117 0.068 0.000 1.538 182 I CA -0.698 60.667 61.300 0.108 0.000 1.010 182 I CB 1.520 39.599 38.000 0.132 0.000 1.381 182 I HN 0.779 nan 8.210 nan 0.000 0.462 183 G N 2.420 111.258 108.800 0.064 0.000 2.606 183 G HA2 0.263 4.223 3.960 -0.000 0.000 0.252 183 G HA3 0.263 4.223 3.960 -0.000 0.000 0.252 183 G C 0.976 175.900 174.900 0.040 0.000 1.206 183 G CA 0.246 45.370 45.100 0.041 0.000 0.861 183 G HN 0.852 nan 8.290 nan 0.000 0.561 184 S N -0.505 115.213 115.700 0.030 0.000 2.423 184 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 184 S C 1.485 176.101 174.600 0.026 0.000 1.014 184 S CA 1.531 59.747 58.200 0.026 0.000 0.965 184 S CB -0.140 63.072 63.200 0.021 0.000 0.785 184 S HN 0.670 nan 8.310 nan 0.000 0.495 185 D N 0.561 120.976 120.400 0.024 0.000 2.349 185 D HA 0.254 4.894 4.640 -0.000 0.000 0.224 185 D C 1.388 177.704 176.300 0.027 0.000 1.029 185 D CA 0.557 54.569 54.000 0.020 0.000 0.879 185 D CB -0.775 40.032 40.800 0.012 0.000 0.906 185 D HN 0.589 nan 8.370 nan 0.000 0.528 186 G N 0.034 108.860 108.800 0.043 0.000 2.159 186 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.256 186 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.256 186 G C 0.484 175.420 174.900 0.059 0.000 0.977 186 G CA 0.615 45.755 45.100 0.068 0.000 0.652 186 G HN 0.805 nan 8.290 nan 0.000 0.531 187 T N -2.245 112.327 114.554 0.030 0.000 2.874 187 T HA 0.694 5.044 4.350 -0.000 0.000 0.281 187 T C -0.088 174.615 174.700 0.004 0.000 0.994 187 T CA -0.351 61.745 62.100 -0.007 0.000 1.015 187 T CB 2.731 71.586 68.868 -0.021 0.000 1.028 187 T HN 0.800 nan 8.240 nan 0.000 0.523 188 V N 1.897 121.779 119.914 -0.054 0.000 2.444 188 V HA 0.345 4.464 4.120 -0.000 0.000 0.294 188 V C -0.446 175.609 176.094 -0.064 0.000 1.022 188 V CA -0.855 61.420 62.300 -0.041 0.000 0.850 188 V CB 1.372 33.130 31.823 -0.107 0.000 0.992 188 V HN 1.093 nan 8.190 nan 0.000 0.426 189 D N 7.015 127.402 120.400 -0.021 0.000 2.325 189 D HA 0.321 4.961 4.640 -0.000 0.000 0.251 189 D C -1.521 174.770 176.300 -0.015 0.000 1.196 189 D CA -1.551 52.438 54.000 -0.019 0.000 0.866 189 D CB 2.068 42.872 40.800 0.006 0.000 1.101 189 D HN 0.201 nan 8.370 nan 0.000 0.476 190 P HA -0.166 nan 4.420 nan 0.000 0.214 190 P C 1.460 178.843 177.300 0.138 0.000 1.163 190 P CA 0.428 63.516 63.100 -0.020 0.000 0.883 190 P CB 0.135 31.790 31.700 -0.075 0.000 0.788 191 L N -0.041 121.253 121.223 0.119 0.000 2.017 191 L HA -0.121 4.218 4.340 -0.000 0.000 0.208 191 L C 2.021 178.954 176.870 0.105 0.000 1.073 191 L CA 2.563 57.482 54.840 0.133 0.000 0.745 191 L CB -1.232 40.871 42.059 0.074 0.000 0.894 191 L HN 0.033 nan 8.230 nan 0.000 0.432 192 S N -3.270 112.474 115.700 0.073 0.000 2.539 192 S HA 0.145 4.615 4.470 -0.000 0.000 0.221 192 S C 1.369 176.004 174.600 0.059 0.000 0.987 192 S CA -0.074 58.156 58.200 0.050 0.000 0.929 192 S CB 0.270 63.487 63.200 0.028 0.000 0.832 192 S HN 0.629 nan 8.310 nan 0.000 0.492 193 Q N -0.391 119.459 119.800 0.084 0.000 2.360 193 Q HA 0.392 4.732 4.340 -0.000 0.000 0.261 193 Q C -0.383 175.692 176.000 0.125 0.000 0.802 193 Q CA -0.345 55.510 55.803 0.087 0.000 0.983 193 Q CB 0.305 29.082 28.738 0.066 0.000 1.211 193 Q HN 0.446 nan 8.270 nan 0.000 0.523 194 L N 1.862 123.130 121.223 0.075 0.000 2.490 194 L HA 0.013 4.353 4.340 -0.000 0.000 0.274 194 L C -0.576 176.379 176.870 0.141 0.000 1.201 194 L CA 0.754 55.541 54.840 -0.088 0.000 0.869 194 L CB -0.183 41.652 42.059 -0.373 0.000 1.123 194 L HN 0.304 nan 8.230 nan 0.000 0.484 195 F N 3.110 123.279 119.950 0.365 0.000 3.093 195 F HA -0.270 4.257 4.527 -0.000 0.000 0.287 195 F C 0.802 176.950 175.800 0.579 0.000 0.882 195 F CA 0.752 59.019 58.000 0.444 0.000 1.063 195 F CB -2.095 37.227 39.000 0.538 0.000 1.097 195 F HN 0.616 nan 8.300 nan 0.000 0.604 196 R N -0.346 120.448 120.500 0.490 0.000 2.943 196 R HA 0.969 5.309 4.340 -0.000 0.000 0.246 196 R C -0.058 176.351 176.300 0.181 0.000 1.201 196 R CA -0.517 55.721 56.100 0.231 0.000 1.056 196 R CB 2.062 32.382 30.300 0.033 0.000 1.243 196 R HN 0.129 nan 8.270 nan 0.000 0.498 197 A N -0.496 122.283 122.820 -0.069 0.000 2.566 197 A HA 0.384 4.704 4.320 -0.000 0.000 0.292 197 A C 0.258 177.746 177.584 -0.159 0.000 1.112 197 A CA -0.581 51.356 52.037 -0.167 0.000 0.707 197 A CB 1.484 20.239 19.000 -0.408 0.000 1.302 197 A HN 0.775 nan 8.150 nan 0.000 0.409 198 T N -1.301 113.174 114.554 -0.131 0.000 3.129 198 T HA 0.265 4.615 4.350 -0.000 0.000 0.251 198 T C 0.199 174.992 174.700 0.155 0.000 1.117 198 T CA 0.028 62.133 62.100 0.009 0.000 1.034 198 T CB -0.620 68.271 68.868 0.038 0.000 0.968 198 T HN 0.279 nan 8.240 nan 0.000 0.526 199 F N 2.298 122.224 119.950 -0.039 0.000 2.626 199 F HA 0.192 4.719 4.527 -0.000 0.000 0.354 199 F C 1.061 176.875 175.800 0.023 0.000 1.168 199 F CA -1.886 56.120 58.000 0.009 0.000 1.368 199 F CB -0.153 38.814 39.000 -0.054 0.000 1.092 199 F HN -0.112 nan 8.300 nan 0.000 0.612 200 V N 2.727 122.792 119.914 0.253 0.000 2.625 200 V HA 0.211 4.331 4.120 -0.000 0.000 0.305 200 V C 1.154 177.311 176.094 0.105 0.000 1.055 200 V CA 1.386 63.772 62.300 0.142 0.000 1.209 200 V CB -0.067 31.821 31.823 0.109 0.000 0.877 200 V HN 1.101 nan 8.190 nan 0.000 0.489 201 G N 3.671 112.502 108.800 0.052 0.000 2.212 201 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.266 201 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.266 201 G C 0.664 175.535 174.900 -0.049 0.000 0.978 201 G CA 0.436 45.541 45.100 0.007 0.000 0.632 201 G HN 0.706 nan 8.290 nan 0.000 0.537 202 V N 0.403 120.284 119.914 -0.054 0.000 2.515 202 V HA -0.055 4.064 4.120 -0.000 0.000 0.250 202 V C 2.334 178.317 176.094 -0.185 0.000 1.058 202 V CA 2.656 64.859 62.300 -0.161 0.000 1.064 202 V CB -0.258 31.451 31.823 -0.190 0.000 0.675 202 V HN 0.614 nan 8.190 nan 0.000 0.461 203 E N -0.514 119.623 120.200 -0.105 0.000 2.478 203 E HA 0.019 4.369 4.350 -0.000 0.000 0.194 203 E C 0.479 177.033 176.600 -0.077 0.000 1.045 203 E CA 0.097 56.445 56.400 -0.086 0.000 0.868 203 E CB 0.132 29.812 29.700 -0.034 0.000 0.885 203 E HN 0.501 nan 8.360 nan 0.000 0.505 204 T N 1.216 115.722 114.554 -0.080 0.000 2.832 204 T HA 0.429 4.779 4.350 -0.000 0.000 0.296 204 T C 0.574 175.188 174.700 -0.144 0.000 0.968 204 T CA 0.089 62.151 62.100 -0.064 0.000 1.107 204 T CB 1.263 70.111 68.868 -0.034 0.000 0.916 204 T HN 0.390 nan 8.240 nan 0.000 0.517 205 G N 4.993 113.716 108.800 -0.129 0.000 2.645 205 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.246 205 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.246 205 G C -2.666 172.004 174.900 -0.384 0.000 1.322 205 G CA -1.209 43.660 45.100 -0.384 0.000 0.898 205 G HN 0.696 nan 8.290 nan 0.000 0.573 206 P HA 0.272 nan 4.420 nan 0.000 0.267 206 P C 0.711 177.840 177.300 -0.286 0.000 1.200 206 P CA -0.095 62.787 63.100 -0.363 0.000 0.772 206 P CB 0.203 31.697 31.700 -0.343 0.000 0.855 207 F N 2.415 122.112 119.950 -0.422 0.000 2.126 207 F HA -0.079 4.447 4.527 -0.000 0.000 0.299 207 F C 0.931 176.444 175.800 -0.478 0.000 1.096 207 F CA 1.390 59.070 58.000 -0.534 0.000 1.255 207 F CB 0.191 38.577 39.000 -1.023 0.000 0.997 207 F HN 0.152 nan 8.300 nan 0.000 0.479 208 I N 0.720 121.185 120.570 -0.176 0.000 2.396 208 I HA 0.058 4.228 4.170 -0.000 0.000 0.292 208 I C 0.683 176.712 176.117 -0.148 0.000 0.999 208 I CA -0.267 60.969 61.300 -0.106 0.000 1.310 208 I CB 0.735 38.750 38.000 0.024 0.000 1.404 208 I HN -0.095 nan 8.210 nan 0.000 0.496 209 S N 4.700 120.319 115.700 -0.136 0.000 2.558 209 S HA -0.059 4.411 4.470 -0.000 0.000 0.291 209 S C 1.270 175.775 174.600 -0.158 0.000 1.306 209 S CA -0.166 57.945 58.200 -0.148 0.000 1.056 209 S CB 0.573 63.723 63.200 -0.084 0.000 0.836 209 S HN 0.499 nan 8.310 nan 0.000 0.504 210 Q N 3.179 122.807 119.800 -0.287 0.000 2.234 210 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 210 Q C 1.803 177.708 176.000 -0.159 0.000 0.980 210 Q CA 1.505 57.069 55.803 -0.398 0.000 0.869 210 Q CB -0.406 27.642 28.738 -1.151 0.000 0.912 210 Q HN 0.786 nan 8.270 nan 0.000 0.436 211 L N -0.672 120.521 121.223 -0.051 0.000 2.478 211 L HA -0.098 4.242 4.340 -0.000 0.000 0.223 211 L C 1.489 178.409 176.870 0.083 0.000 1.140 211 L CA 0.101 54.990 54.840 0.081 0.000 0.842 211 L CB -0.090 42.021 42.059 0.087 0.000 0.953 211 L HN 0.141 nan 8.230 nan 0.000 0.452 212 L N -1.089 120.171 121.223 0.061 0.000 2.556 212 L HA 0.057 4.397 4.340 -0.000 0.000 0.226 212 L C 1.804 178.763 176.870 0.148 0.000 1.089 212 L CA 0.930 55.832 54.840 0.104 0.000 0.864 212 L CB 0.445 42.560 42.059 0.094 0.000 1.067 212 L HN 0.130 nan 8.230 nan 0.000 0.477 213 V N -5.301 114.668 119.914 0.093 0.000 3.604 213 V HA 0.345 4.464 4.120 -0.000 0.000 0.277 213 V C 0.831 176.955 176.094 0.049 0.000 1.399 213 V CA -0.386 61.947 62.300 0.056 0.000 1.034 213 V CB -0.118 31.646 31.823 -0.098 0.000 0.824 213 V HN 0.193 nan 8.190 nan 0.000 0.439 214 N N 1.502 120.275 118.700 0.122 0.000 2.495 214 N HA 0.397 5.136 4.740 -0.000 0.000 0.280 214 N C -0.077 175.595 175.510 0.270 0.000 1.168 214 N CA -0.056 53.097 53.050 0.172 0.000 0.978 214 N CB 1.674 40.293 38.487 0.221 0.000 1.191 214 N HN 0.285 nan 8.380 nan 0.000 0.497 215 S N 0.634 116.474 115.700 0.232 0.000 2.579 215 S HA 0.298 4.767 4.470 -0.000 0.000 0.275 215 S C -0.284 174.482 174.600 0.278 0.000 1.345 215 S CA -0.163 58.161 58.200 0.206 0.000 1.031 215 S CB -0.042 63.223 63.200 0.107 0.000 0.892 215 S HN 0.430 nan 8.310 nan 0.000 0.529 216 F N -1.014 119.010 119.950 0.123 0.000 2.576 216 F HA 0.735 5.262 4.527 -0.000 0.000 0.313 216 F C -0.342 175.515 175.800 0.095 0.000 1.078 216 F CA -0.942 57.126 58.000 0.114 0.000 0.921 216 F CB 0.842 39.916 39.000 0.122 0.000 1.232 216 F HN 0.266 nan 8.300 nan 0.000 0.459 217 T N 4.331 119.010 114.554 0.209 0.000 2.797 217 T HA 0.603 4.953 4.350 -0.000 0.000 0.279 217 T C -0.987 173.830 174.700 0.197 0.000 0.991 217 T CA -0.414 61.742 62.100 0.092 0.000 0.979 217 T CB 1.286 70.195 68.868 0.069 0.000 0.943 217 T HN 0.797 nan 8.240 nan 0.000 0.444 218 I N 2.825 123.487 120.570 0.153 0.000 2.468 218 I HA 0.276 4.446 4.170 -0.000 0.000 0.285 218 I C -0.967 175.205 176.117 0.092 0.000 1.039 218 I CA -0.452 60.959 61.300 0.185 0.000 1.074 218 I CB 0.943 39.123 38.000 0.300 0.000 1.228 218 I HN 0.562 nan 8.210 nan 0.000 0.436 219 D N 5.159 125.597 120.400 0.063 0.000 2.699 219 D HA -0.192 4.448 4.640 -0.000 0.000 0.239 219 D C 0.642 176.957 176.300 0.025 0.000 1.136 219 D CA 1.500 55.520 54.000 0.034 0.000 0.668 219 D CB -1.107 39.712 40.800 0.031 0.000 1.060 219 D HN 0.774 nan 8.370 nan 0.000 0.429 220 S N -2.333 113.382 115.700 0.024 0.000 3.261 220 S HA -0.267 4.203 4.470 -0.000 0.000 0.287 220 S C 0.549 175.150 174.600 0.001 0.000 1.281 220 S CA 0.958 59.166 58.200 0.013 0.000 1.053 220 S CB -1.154 62.050 63.200 0.007 0.000 1.251 220 S HN 0.620 nan 8.310 nan 0.000 0.659 221 I N 1.929 122.497 120.570 -0.003 0.000 2.328 221 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 221 I C 0.388 176.457 176.117 -0.081 0.000 1.012 221 I CA -0.147 61.134 61.300 -0.032 0.000 1.195 221 I CB 1.588 39.574 38.000 -0.024 0.000 1.350 221 I HN -0.068 nan 8.210 nan 0.000 0.464 222 T N 6.130 120.630 114.554 -0.090 0.000 2.771 222 T HA 0.399 4.748 4.350 -0.000 0.000 0.291 222 T C -0.063 174.502 174.700 -0.224 0.000 0.954 222 T CA -0.326 61.694 62.100 -0.134 0.000 1.045 222 T CB 1.113 69.943 68.868 -0.063 0.000 0.917 222 T HN 0.200 nan 8.240 nan 0.000 0.484 223 V N 4.067 123.714 119.914 -0.446 0.000 2.378 223 V HA 0.354 4.474 4.120 -0.000 0.000 0.288 223 V C 0.230 176.125 176.094 -0.332 0.000 1.016 223 V CA -0.949 61.035 62.300 -0.526 0.000 0.840 223 V CB 1.551 32.725 31.823 -1.081 0.000 0.994 223 V HN 0.846 nan 8.190 nan 0.000 0.431 224 E N 7.377 127.511 120.200 -0.108 0.000 2.229 224 E HA 0.305 4.655 4.350 -0.000 0.000 0.283 224 E C -2.037 174.613 176.600 0.084 0.000 1.030 224 E CA -1.870 54.563 56.400 0.054 0.000 0.836 224 E CB 1.469 31.197 29.700 0.046 0.000 1.068 224 E HN 0.476 nan 8.360 nan 0.000 0.401 225 P HA 0.077 nan 4.420 nan 0.000 0.228 225 P C -1.087 176.290 177.300 0.129 0.000 1.748 225 P CA 0.060 63.328 63.100 0.279 0.000 0.909 225 P CB -0.263 31.685 31.700 0.414 0.000 1.882 226 K N 1.681 121.993 120.400 -0.148 0.000 2.276 226 K HA 0.178 4.498 4.320 -0.000 0.000 0.285 226 K C 0.877 177.425 176.600 -0.087 0.000 1.062 226 K CA -0.340 55.774 56.287 -0.288 0.000 0.918 226 K CB 0.941 33.168 32.500 -0.455 0.000 1.055 226 K HN 0.397 nan 8.250 nan 0.000 0.477 227 Q N 1.236 121.018 119.800 -0.029 0.000 2.240 227 Q HA 0.301 4.641 4.340 -0.000 0.000 0.260 227 Q C -0.786 175.198 176.000 -0.026 0.000 1.018 227 Q CA -1.002 54.798 55.803 -0.005 0.000 0.898 227 Q CB 1.354 30.107 28.738 0.026 0.000 1.301 227 Q HN 0.456 nan 8.270 nan 0.000 0.469 228 E N 0.770 120.953 120.200 -0.029 0.000 2.180 228 E HA 0.157 4.507 4.350 -0.000 0.000 0.283 228 E C -1.101 175.452 176.600 -0.078 0.000 1.061 228 E CA -0.064 56.313 56.400 -0.038 0.000 0.861 228 E CB 1.126 30.807 29.700 -0.031 0.000 1.056 228 E HN 0.560 nan 8.360 nan 0.000 0.407 229 T N 3.147 117.662 114.554 -0.066 0.000 2.927 229 T HA 0.428 4.778 4.350 -0.000 0.000 0.286 229 T C -0.590 174.070 174.700 -0.067 0.000 1.040 229 T CA -0.683 61.347 62.100 -0.117 0.000 1.010 229 T CB 0.332 69.188 68.868 -0.021 0.000 1.177 229 T HN 0.286 nan 8.240 nan 0.000 0.546 230 F N 1.713 121.702 119.950 0.064 0.000 2.496 230 F HA 0.511 5.038 4.527 -0.000 0.000 0.344 230 F C 1.214 177.039 175.800 0.042 0.000 1.155 230 F CA -0.703 57.332 58.000 0.057 0.000 1.302 230 F CB 0.056 39.087 39.000 0.052 0.000 1.159 230 F HN 0.626 nan 8.300 nan 0.000 0.595 231 A N 3.989 126.963 122.820 0.258 0.000 2.386 231 A HA 0.498 4.818 4.320 -0.000 0.000 0.248 231 A C -2.196 175.448 177.584 0.099 0.000 1.082 231 A CA -1.300 50.819 52.037 0.137 0.000 0.789 231 A CB -0.541 18.523 19.000 0.107 0.000 1.025 231 A HN 0.478 nan 8.150 nan 0.000 0.490 232 P HA 0.201 nan 4.420 nan 0.000 0.274 232 P C -0.492 176.793 177.300 -0.025 0.000 1.256 232 P CA 0.034 63.143 63.100 0.016 0.000 0.795 232 P CB 0.408 32.115 31.700 0.010 0.000 1.038 233 D N -3.088 117.279 120.400 -0.055 0.000 3.006 233 D HA -0.130 4.509 4.640 -0.000 0.000 0.208 233 D C -0.090 176.125 176.300 -0.141 0.000 1.116 233 D CA 0.973 54.921 54.000 -0.086 0.000 0.998 233 D CB -1.559 39.204 40.800 -0.061 0.000 1.124 233 D HN 0.144 nan 8.370 nan 0.000 0.413 234 V N 1.241 121.044 119.914 -0.185 0.000 2.435 234 V HA 0.453 4.573 4.120 -0.000 0.000 0.290 234 V C 0.490 176.247 176.094 -0.561 0.000 1.030 234 V CA -0.671 61.437 62.300 -0.319 0.000 0.881 234 V CB 2.116 33.785 31.823 -0.257 0.000 0.983 234 V HN 0.032 nan 8.190 nan 0.000 0.445 235 N N 2.078 120.374 118.700 -0.674 0.000 2.545 235 N HA 0.641 5.381 4.740 -0.000 0.000 0.289 235 N C -1.440 173.424 175.510 -1.076 0.000 1.279 235 N CA -0.446 52.136 53.050 -0.780 0.000 0.824 235 N CB 2.262 40.509 38.487 -0.401 0.000 1.395 235 N HN 0.510 nan 8.380 nan 0.000 0.526 236 Y N -0.444 119.748 120.300 -0.180 0.000 2.633 236 Y HA 0.417 4.967 4.550 -0.000 0.000 0.339 236 Y C 0.859 176.686 175.900 -0.121 0.000 1.045 236 Y CA -0.857 57.155 58.100 -0.146 0.000 1.098 236 Y CB 1.040 39.400 38.460 -0.168 0.000 1.296 236 Y HN 0.412 nan 8.280 nan 0.000 0.494 237 M N 0.002 119.648 119.600 0.077 0.000 2.576 237 M HA -0.202 4.278 4.480 -0.000 0.000 0.200 237 M C 0.098 176.410 176.300 0.020 0.000 0.487 237 M CA 0.681 56.015 55.300 0.057 0.000 0.553 237 M CB -1.431 31.212 32.600 0.072 0.000 2.042 237 M HN 0.520 nan 8.290 nan 0.000 0.758 238 V N -4.313 115.576 119.914 -0.042 0.000 3.643 238 V HA 0.225 4.345 4.120 -0.000 0.000 0.280 238 V C 0.691 176.737 176.094 -0.080 0.000 1.351 238 V CA 0.550 62.790 62.300 -0.099 0.000 1.073 238 V CB 0.407 32.147 31.823 -0.138 0.000 0.863 238 V HN 0.498 nan 8.190 nan 0.000 0.436 239 D N -0.006 120.380 120.400 -0.023 0.000 2.277 239 D HA 0.104 4.744 4.640 -0.000 0.000 0.249 239 D C 0.720 177.063 176.300 0.072 0.000 1.134 239 D CA -0.557 53.455 54.000 0.020 0.000 0.863 239 D CB 1.736 42.551 40.800 0.025 0.000 1.143 239 D HN 0.155 nan 8.370 nan 0.000 0.458 240 F N 4.145 124.080 119.950 -0.024 0.000 2.065 240 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 240 F C 1.700 177.602 175.800 0.169 0.000 1.112 240 F CA 1.683 59.708 58.000 0.042 0.000 1.212 240 F CB 0.137 39.144 39.000 0.011 0.000 0.975 240 F HN 0.408 nan 8.300 nan 0.000 0.476 241 D N 0.168 120.669 120.400 0.169 0.000 2.144 241 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 241 D C 2.167 178.441 176.300 -0.042 0.000 0.984 241 D CA 1.561 55.598 54.000 0.062 0.000 0.834 241 D CB -0.455 40.411 40.800 0.110 0.000 0.955 241 D HN 0.511 nan 8.370 nan 0.000 0.465 242 E N -0.200 119.993 120.200 -0.012 0.000 2.051 242 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 242 E C 1.959 178.510 176.600 -0.081 0.000 0.991 242 E CA 0.723 57.104 56.400 -0.031 0.000 0.799 242 E CB -0.194 29.510 29.700 0.007 0.000 0.748 242 E HN 0.361 nan 8.360 nan 0.000 0.449 243 W N 1.734 122.886 121.300 -0.247 0.000 2.333 243 W HA -0.221 4.439 4.660 -0.000 0.000 0.316 243 W C 1.917 178.224 176.519 -0.353 0.000 1.215 243 W CA 1.365 58.527 57.345 -0.304 0.000 1.278 243 W CB -0.456 28.782 29.460 -0.370 0.000 1.154 243 W HN -0.009 nan 8.180 nan 0.000 0.486 244 L N 1.026 121.912 121.223 -0.562 0.000 2.017 244 L HA -0.285 4.055 4.340 -0.000 0.000 0.208 244 L C 2.361 178.932 176.870 -0.500 0.000 1.073 244 L CA 2.417 56.818 54.840 -0.732 0.000 0.745 244 L CB -1.081 40.749 42.059 -0.382 0.000 0.894 244 L HN 0.224 nan 8.230 nan 0.000 0.432 245 N N 0.271 118.793 118.700 -0.297 0.000 2.061 245 N HA -0.259 4.481 4.740 -0.000 0.000 0.193 245 N C 1.704 177.077 175.510 -0.228 0.000 1.030 245 N CA 1.706 54.641 53.050 -0.192 0.000 0.856 245 N CB -0.099 38.319 38.487 -0.114 0.000 1.023 245 N HN 0.206 nan 8.380 nan 0.000 0.424 246 I N 0.567 120.958 120.570 -0.298 0.000 2.286 246 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 246 I C 1.936 177.847 176.117 -0.344 0.000 1.115 246 I CA 1.121 62.254 61.300 -0.278 0.000 1.392 246 I CB -1.208 36.629 38.000 -0.272 0.000 1.065 246 I HN 0.393 nan 8.210 nan 0.000 0.418 247 Q N 0.396 119.841 119.800 -0.591 0.000 2.167 247 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 247 Q C 1.584 177.448 176.000 -0.228 0.000 0.970 247 Q CA 0.906 56.364 55.803 -0.574 0.000 0.855 247 Q CB -0.624 27.471 28.738 -1.071 0.000 0.911 247 Q HN 0.504 nan 8.270 nan 0.000 0.438 248 N N -0.151 118.455 118.700 -0.156 0.000 2.521 248 N HA 0.024 4.764 4.740 -0.000 0.000 0.188 248 N C 0.763 176.270 175.510 -0.006 0.000 1.146 248 N CA 0.928 53.992 53.050 0.022 0.000 0.893 248 N CB 0.600 39.082 38.487 -0.010 0.000 0.975 248 N HN 0.450 nan 8.380 nan 0.000 0.451 249 G N -0.866 107.912 108.800 -0.037 0.000 2.157 249 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.239 249 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.239 249 G C 0.492 175.384 174.900 -0.013 0.000 0.982 249 G CA -0.001 45.095 45.100 -0.005 0.000 0.650 249 G HN 0.601 nan 8.290 nan 0.000 0.527 250 G N 0.308 109.084 108.800 -0.040 0.000 2.599 250 G HA2 0.658 4.618 3.960 -0.000 0.000 0.264 250 G HA3 0.658 4.618 3.960 -0.000 0.000 0.264 250 G C -1.592 173.288 174.900 -0.033 0.000 1.200 250 G CA -0.499 44.581 45.100 -0.033 0.000 0.896 250 G HN 0.263 nan 8.290 nan 0.000 0.536 251 P HA 0.214 nan 4.420 nan 0.000 0.272 251 P C -2.576 174.705 177.300 -0.031 0.000 1.223 251 P CA -1.089 62.001 63.100 -0.017 0.000 0.784 251 P CB 0.409 32.104 31.700 -0.008 0.000 0.923 252 P HA 0.024 nan 4.420 nan 0.000 0.270 252 P C 0.700 177.973 177.300 -0.045 0.000 1.223 252 P CA 0.108 63.179 63.100 -0.050 0.000 0.785 252 P CB 0.116 31.784 31.700 -0.052 0.000 0.923 253 A N 1.261 124.051 122.820 -0.050 0.000 2.119 253 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 253 A C 1.059 178.626 177.584 -0.028 0.000 1.153 253 A CA 1.731 53.752 52.037 -0.027 0.000 0.692 253 A CB -0.969 18.029 19.000 -0.004 0.000 0.799 253 A HN 0.721 nan 8.150 nan 0.000 0.458 254 G N -1.937 106.828 108.800 -0.058 0.000 2.323 254 G HA2 0.402 4.362 3.960 -0.000 0.000 0.291 254 G HA3 0.402 4.362 3.960 -0.000 0.000 0.291 254 G C -3.428 171.413 174.900 -0.098 0.000 1.278 254 G CA -0.124 44.946 45.100 -0.051 0.000 0.860 254 G HN 0.051 nan 8.290 nan 0.000 0.504 255 P HA 0.569 nan 4.420 nan 0.000 0.280 255 P C -0.920 176.282 177.300 -0.162 0.000 1.272 255 P CA -0.218 62.838 63.100 -0.074 0.000 0.819 255 P CB 1.558 33.258 31.700 -0.001 0.000 1.122 256 E N 0.043 120.163 120.200 -0.134 0.000 2.313 256 E HA 0.295 4.645 4.350 -0.000 0.000 0.272 256 E C -0.225 176.441 176.600 0.110 0.000 1.038 256 E CA -0.636 55.675 56.400 -0.149 0.000 0.863 256 E CB 0.084 29.732 29.700 -0.088 0.000 1.060 256 E HN 0.279 nan 8.360 nan 0.000 0.402 257 L N 3.249 124.590 121.223 0.197 0.000 2.455 257 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 257 L C -0.399 176.603 176.870 0.221 0.000 1.174 257 L CA 0.547 55.496 54.840 0.181 0.000 0.869 257 L CB -0.215 41.945 42.059 0.169 0.000 1.130 257 L HN 0.488 nan 8.230 nan 0.000 0.474 258 L N 2.904 124.223 121.223 0.160 0.000 2.333 258 L HA 0.415 4.755 4.340 -0.000 0.000 0.269 258 L C -0.048 176.882 176.870 0.099 0.000 1.010 258 L CA -0.950 53.978 54.840 0.148 0.000 0.818 258 L CB 2.107 44.225 42.059 0.099 0.000 1.306 258 L HN 0.478 nan 8.230 nan 0.000 0.430 259 D N 0.481 120.932 120.400 0.084 0.000 2.302 259 D HA 0.017 4.657 4.640 -0.000 0.000 0.248 259 D C 0.258 176.579 176.300 0.036 0.000 1.094 259 D CA -0.073 53.962 54.000 0.057 0.000 0.897 259 D CB 1.509 42.341 40.800 0.054 0.000 1.200 259 D HN 0.439 nan 8.370 nan 0.000 0.429 260 D N 2.108 122.525 120.400 0.029 0.000 2.264 260 D HA -0.063 4.576 4.640 -0.000 0.000 0.208 260 D C -0.045 176.260 176.300 0.009 0.000 0.966 260 D CA 0.891 54.903 54.000 0.018 0.000 0.864 260 D CB 0.344 41.154 40.800 0.017 0.000 0.933 260 D HN 0.532 nan 8.370 nan 0.000 0.499 261 E N 0.495 120.700 120.200 0.008 0.000 2.175 261 E HA 0.228 4.578 4.350 -0.000 0.000 0.278 261 E C -0.564 176.028 176.600 -0.013 0.000 0.969 261 E CA -0.885 55.513 56.400 -0.003 0.000 0.796 261 E CB 1.699 31.401 29.700 0.002 0.000 1.104 261 E HN -0.129 nan 8.360 nan 0.000 0.395 262 L N 3.652 124.854 121.223 -0.034 0.000 2.455 262 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 262 L C 0.248 177.067 176.870 -0.086 0.000 1.174 262 L CA 0.892 55.697 54.840 -0.059 0.000 0.869 262 L CB -0.059 41.953 42.059 -0.079 0.000 1.130 262 L HN 0.473 nan 8.230 nan 0.000 0.474 263 R N 2.205 122.660 120.500 -0.074 0.000 2.740 263 R HA 0.489 4.828 4.340 -0.000 0.000 0.273 263 R C -0.973 175.309 176.300 -0.030 0.000 0.998 263 R CA -0.934 55.130 56.100 -0.060 0.000 0.900 263 R CB 1.527 31.846 30.300 0.032 0.000 1.223 263 R HN 0.149 nan 8.270 nan 0.000 0.466 264 F N 0.454 120.447 119.950 0.072 0.000 2.440 264 F HA 0.099 4.626 4.527 -0.000 0.000 0.323 264 F C 0.883 176.748 175.800 0.107 0.000 1.192 264 F CA -0.315 57.740 58.000 0.093 0.000 1.252 264 F CB 0.481 39.539 39.000 0.097 0.000 1.214 264 F HN 0.042 nan 8.300 nan 0.000 0.578 265 V N 3.263 123.386 119.914 0.348 0.000 2.450 265 V HA 0.108 4.228 4.120 -0.000 0.000 0.281 265 V C 0.387 176.669 176.094 0.313 0.000 1.019 265 V CA 0.064 62.532 62.300 0.281 0.000 1.062 265 V CB 0.151 32.139 31.823 0.275 0.000 0.979 265 V HN 0.766 nan 8.190 nan 0.000 0.477 266 R N 2.390 123.032 120.500 0.236 0.000 2.538 266 R HA 0.286 4.626 4.340 -0.000 0.000 0.372 266 R C -0.216 175.985 176.300 -0.166 0.000 0.950 266 R CA -0.529 55.689 56.100 0.196 0.000 1.168 266 R CB -0.389 30.018 30.300 0.178 0.000 1.542 266 R HN 0.716 nan 8.270 nan 0.000 0.536 267 N N -1.638 116.822 118.700 -0.400 0.000 3.179 267 N HA 0.424 5.164 4.740 -0.000 0.000 0.250 267 N C 0.149 175.295 175.510 -0.607 0.000 1.507 267 N CA -0.400 52.070 53.050 -0.967 0.000 0.883 267 N CB 0.429 38.679 38.487 -0.395 0.000 1.435 267 N HN -0.082 nan 8.380 nan 0.000 0.532 268 A N -0.132 122.429 122.820 -0.431 0.000 1.969 268 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 268 A C 2.048 179.669 177.584 0.062 0.000 1.169 268 A CA 1.461 53.494 52.037 -0.007 0.000 0.635 268 A CB -0.709 18.314 19.000 0.039 0.000 0.810 268 A HN 0.673 nan 8.150 nan 0.000 0.445 269 R N -0.276 120.243 120.500 0.032 0.000 2.081 269 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 269 R C 1.378 177.812 176.300 0.223 0.000 1.131 269 R CA 1.805 57.983 56.100 0.130 0.000 0.960 269 R CB -0.280 30.088 30.300 0.114 0.000 0.856 269 R HN 0.446 nan 8.270 nan 0.000 0.436 270 D N 0.511 120.999 120.400 0.146 0.000 2.117 270 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 270 D C 1.789 178.197 176.300 0.179 0.000 0.987 270 D CA 0.892 54.978 54.000 0.143 0.000 0.829 270 D CB -0.224 40.652 40.800 0.126 0.000 0.961 270 D HN 0.162 nan 8.370 nan 0.000 0.460 271 L N 0.814 122.176 121.223 0.233 0.000 2.056 271 L HA -0.015 4.324 4.340 -0.000 0.000 0.207 271 L C 2.082 179.092 176.870 0.234 0.000 1.078 271 L CA 1.691 56.693 54.840 0.270 0.000 0.749 271 L CB -0.829 41.457 42.059 0.379 0.000 0.901 271 L HN -0.028 nan 8.230 nan 0.000 0.433 272 A N -0.199 122.759 122.820 0.230 0.000 1.883 272 A HA -0.274 4.045 4.320 -0.000 0.000 0.217 272 A C 2.442 180.210 177.584 0.307 0.000 1.186 272 A CA 1.871 54.049 52.037 0.234 0.000 0.624 272 A CB -0.668 18.450 19.000 0.196 0.000 0.822 272 A HN 0.491 nan 8.150 nan 0.000 0.444 273 R N 0.021 120.692 120.500 0.286 0.000 2.083 273 R HA -0.119 4.220 4.340 -0.000 0.000 0.237 273 R C 1.812 178.160 176.300 0.081 0.000 1.137 273 R CA 2.178 58.287 56.100 0.015 0.000 0.951 273 R CB -1.261 28.824 30.300 -0.359 0.000 0.851 273 R HN 0.253 nan 8.270 nan 0.000 0.434 274 V N 0.431 120.413 119.914 0.112 0.000 2.250 274 V HA -0.327 3.793 4.120 -0.000 0.000 0.250 274 V C 2.378 178.573 176.094 0.168 0.000 1.060 274 V CA 2.553 64.930 62.300 0.128 0.000 1.030 274 V CB -1.210 30.703 31.823 0.150 0.000 0.643 274 V HN 0.770 nan 8.190 nan 0.000 0.445 275 T N -2.594 112.082 114.554 0.203 0.000 3.035 275 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 275 T C 1.645 176.487 174.700 0.237 0.000 1.109 275 T CA 1.119 63.344 62.100 0.208 0.000 1.119 275 T CB -0.422 68.520 68.868 0.123 0.000 0.900 275 T HN 0.369 nan 8.240 nan 0.000 0.503 276 F N 3.218 123.232 119.950 0.107 0.000 2.512 276 F HA 0.203 4.730 4.527 -0.000 0.000 0.296 276 F C 1.955 177.820 175.800 0.108 0.000 1.110 276 F CA 1.067 59.141 58.000 0.123 0.000 1.446 276 F CB -0.059 39.069 39.000 0.213 0.000 1.092 276 F HN 0.360 nan 8.300 nan 0.000 0.554 277 T N -2.150 112.427 114.554 0.038 0.000 3.182 277 T HA 0.202 4.551 4.350 -0.000 0.000 0.277 277 T C -0.116 174.583 174.700 -0.003 0.000 1.013 277 T CA -0.340 61.718 62.100 -0.071 0.000 0.900 277 T CB -0.709 68.130 68.868 -0.047 0.000 1.098 277 T HN 0.189 nan 8.240 nan 0.000 0.543 278 D N 1.016 121.461 120.400 0.074 0.000 2.348 278 D HA 0.284 4.924 4.640 -0.000 0.000 0.249 278 D C -0.373 175.955 176.300 0.047 0.000 1.110 278 D CA -0.879 53.169 54.000 0.080 0.000 0.967 278 D CB 0.463 41.353 40.800 0.150 0.000 1.139 278 D HN 0.026 nan 8.370 nan 0.000 0.466 279 N N 1.318 120.018 118.700 -0.000 0.000 2.664 279 N HA 0.191 4.931 4.740 -0.000 0.000 0.257 279 N C 0.328 175.804 175.510 -0.057 0.000 1.108 279 N CA -0.422 52.609 53.050 -0.033 0.000 0.822 279 N CB 1.041 39.492 38.487 -0.059 0.000 1.199 279 N HN 0.387 nan 8.380 nan 0.000 0.529 280 I N 0.811 121.348 120.570 -0.055 0.000 4.773 280 I HA -0.445 3.724 4.170 -0.000 0.000 0.042 280 I C 0.916 177.066 176.117 0.054 0.000 0.630 280 I CA 1.916 63.202 61.300 -0.023 0.000 0.606 280 I CB -1.558 36.429 38.000 -0.021 0.000 0.584 280 I HN 0.567 nan 8.210 nan 0.000 0.154 281 N N 0.641 119.271 118.700 -0.116 0.000 2.241 281 N HA 0.126 4.866 4.740 -0.000 0.000 0.238 281 N C 0.818 176.217 175.510 -0.186 0.000 1.244 281 N CA 0.747 53.604 53.050 -0.321 0.000 0.880 281 N CB -0.397 37.518 38.487 -0.953 0.000 1.179 281 N HN 0.622 nan 8.380 nan 0.000 0.513 282 T N -1.294 113.196 114.554 -0.106 0.000 2.720 282 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 282 T C 1.335 176.008 174.700 -0.045 0.000 1.037 282 T CA 1.500 63.546 62.100 -0.089 0.000 1.144 282 T CB -0.285 68.543 68.868 -0.068 0.000 0.864 282 T HN 0.137 nan 8.240 nan 0.000 0.444 283 E N 2.134 122.332 120.200 -0.002 0.000 2.072 283 E HA 0.173 4.523 4.350 -0.000 0.000 0.191 283 E C 2.541 179.134 176.600 -0.012 0.000 0.985 283 E CA 1.154 57.560 56.400 0.009 0.000 0.801 283 E CB -0.681 29.063 29.700 0.072 0.000 0.750 283 E HN 0.667 nan 8.360 nan 0.000 0.452 284 A N -0.060 122.756 122.820 -0.008 0.000 2.015 284 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 284 A C 1.989 179.498 177.584 -0.124 0.000 1.163 284 A CA 1.045 53.049 52.037 -0.056 0.000 0.646 284 A CB -0.666 18.314 19.000 -0.034 0.000 0.806 284 A HN 0.369 nan 8.150 nan 0.000 0.448 285 Y N 0.367 120.524 120.300 -0.239 0.000 2.200 285 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 285 Y C 2.587 178.398 175.900 -0.148 0.000 1.137 285 Y CA 1.884 59.877 58.100 -0.179 0.000 1.163 285 Y CB -0.128 38.240 38.460 -0.152 0.000 0.988 285 Y HN 0.232 nan 8.280 nan 0.000 0.518 286 R N -0.665 119.780 120.500 -0.092 0.000 2.073 286 R HA -0.156 4.183 4.340 -0.000 0.000 0.234 286 R C 2.538 178.757 176.300 -0.135 0.000 1.134 286 R CA 1.280 57.186 56.100 -0.324 0.000 0.952 286 R CB -1.028 28.957 30.300 -0.524 0.000 0.850 286 R HN 0.486 nan 8.270 nan 0.000 0.433 287 G N 0.690 109.442 108.800 -0.081 0.000 2.422 287 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 287 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 287 G C 1.553 176.434 174.900 -0.033 0.000 1.146 287 G CA 0.813 45.906 45.100 -0.012 0.000 0.769 287 G HN 0.417 nan 8.290 nan 0.000 0.547 288 A N 0.662 123.390 122.820 -0.155 0.000 1.877 288 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 288 A C 2.440 180.035 177.584 0.018 0.000 1.186 288 A CA 1.368 53.250 52.037 -0.258 0.000 0.620 288 A CB -0.447 18.125 19.000 -0.714 0.000 0.822 288 A HN 0.356 nan 8.150 nan 0.000 0.443 289 L N -0.785 120.463 121.223 0.041 0.000 2.046 289 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 289 L C 2.488 179.461 176.870 0.173 0.000 1.077 289 L CA 1.180 56.125 54.840 0.174 0.000 0.747 289 L CB -0.455 41.706 42.059 0.170 0.000 0.896 289 L HN 0.376 nan 8.230 nan 0.000 0.432 290 I N -0.465 120.199 120.570 0.157 0.000 2.202 290 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 290 I C 2.387 178.577 176.117 0.121 0.000 1.091 290 I CA 1.268 62.677 61.300 0.181 0.000 1.368 290 I CB -0.179 37.960 38.000 0.231 0.000 1.058 290 I HN 0.182 nan 8.210 nan 0.000 0.410 291 L N -0.191 121.088 121.223 0.093 0.000 2.079 291 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 291 L C 2.538 179.389 176.870 -0.031 0.000 1.081 291 L CA 0.996 55.825 54.840 -0.018 0.000 0.752 291 L CB -0.528 41.528 42.059 -0.005 0.000 0.896 291 L HN 0.279 nan 8.230 nan 0.000 0.433 292 L N 0.153 121.420 121.223 0.073 0.000 2.017 292 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 292 L C 2.383 179.270 176.870 0.028 0.000 1.073 292 L CA 2.159 57.033 54.840 0.056 0.000 0.745 292 L CB -1.067 41.085 42.059 0.156 0.000 0.894 292 L HN 0.153 nan 8.230 nan 0.000 0.432 293 G N -0.714 108.123 108.800 0.062 0.000 2.432 293 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 293 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 293 G C 1.480 176.389 174.900 0.016 0.000 1.135 293 G CA 0.945 46.076 45.100 0.051 0.000 0.767 293 G HN 0.431 nan 8.290 nan 0.000 0.550 294 L N -0.263 120.953 121.223 -0.012 0.000 2.591 294 L HA 0.171 4.511 4.340 -0.000 0.000 0.228 294 L C 0.995 177.819 176.870 -0.077 0.000 1.133 294 L CA 0.314 55.133 54.840 -0.034 0.000 0.880 294 L CB 0.037 42.070 42.059 -0.043 0.000 1.033 294 L HN 0.169 nan 8.230 nan 0.000 0.450 295 D N -0.752 119.588 120.400 -0.101 0.000 2.981 295 D HA -0.221 4.419 4.640 -0.000 0.000 0.223 295 D C 1.183 177.367 176.300 -0.193 0.000 1.151 295 D CA 0.754 54.681 54.000 -0.122 0.000 0.827 295 D CB -0.485 40.271 40.800 -0.074 0.000 1.101 295 D HN 0.371 nan 8.370 nan 0.000 0.426 296 A N -0.672 121.940 122.820 -0.347 0.000 1.930 296 A HA 0.198 4.518 4.320 -0.000 0.000 0.215 296 A C 0.874 178.354 177.584 -0.174 0.000 1.176 296 A CA 0.759 52.492 52.037 -0.505 0.000 0.632 296 A CB 0.040 18.420 19.000 -1.033 0.000 0.819 296 A HN 0.321 nan 8.150 nan 0.000 0.445 297 F N 0.606 120.372 119.950 -0.308 0.000 2.495 297 F HA 0.426 4.952 4.527 -0.000 0.000 0.327 297 F C -0.223 175.413 175.800 -0.273 0.000 1.103 297 F CA -1.622 56.184 58.000 -0.324 0.000 0.949 297 F CB 1.114 39.767 39.000 -0.579 0.000 1.142 297 F HN 0.117 nan 8.300 nan 0.000 0.457 298 N N 5.554 123.765 118.700 -0.815 0.000 2.414 298 N HA 0.142 4.881 4.740 -0.000 0.000 0.256 298 N C 1.014 176.240 175.510 -0.473 0.000 1.029 298 N CA -0.131 52.621 53.050 -0.497 0.000 0.948 298 N CB 1.037 39.297 38.487 -0.378 0.000 1.102 298 N HN 0.901 nan 8.380 nan 0.000 0.496 299 R N 3.294 123.659 120.500 -0.226 0.000 2.120 299 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 299 R C 1.567 177.818 176.300 -0.081 0.000 1.123 299 R CA 1.670 57.711 56.100 -0.098 0.000 0.975 299 R CB -0.038 30.254 30.300 -0.014 0.000 0.866 299 R HN 0.663 nan 8.270 nan 0.000 0.446 300 A N -0.632 122.120 122.820 -0.113 0.000 2.206 300 A HA 0.166 4.486 4.320 -0.000 0.000 0.211 300 A C 1.355 178.862 177.584 -0.127 0.000 1.158 300 A CA 0.900 52.878 52.037 -0.099 0.000 0.761 300 A CB -0.166 18.779 19.000 -0.091 0.000 0.801 300 A HN 0.571 nan 8.150 nan 0.000 0.473 301 G N -2.110 106.577 108.800 -0.189 0.000 2.144 301 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 301 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 301 G C 0.182 174.961 174.900 -0.203 0.000 0.988 301 G CA 0.025 45.002 45.100 -0.206 0.000 0.659 301 G HN 0.746 nan 8.290 nan 0.000 0.522 302 V N 2.614 122.419 119.914 -0.181 0.000 2.071 302 V HA 0.313 4.432 4.120 -0.000 0.000 0.254 302 V C 0.242 176.278 176.094 -0.098 0.000 1.456 302 V CA -0.305 61.947 62.300 -0.079 0.000 1.383 302 V CB -0.397 31.386 31.823 -0.068 0.000 1.433 302 V HN 0.441 nan 8.190 nan 0.000 0.499 303 N N 1.685 120.365 118.700 -0.033 0.000 2.469 303 N HA 0.651 5.391 4.740 -0.000 0.000 0.286 303 N C 0.691 176.275 175.510 0.122 0.000 1.275 303 N CA 0.200 53.247 53.050 -0.006 0.000 0.790 303 N CB 2.080 40.506 38.487 -0.101 0.000 1.446 303 N HN 0.475 nan 8.380 nan 0.000 0.501 304 G N 1.487 110.312 108.800 0.042 0.000 2.622 304 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.307 304 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.307 304 G C -1.587 173.070 174.900 -0.405 0.000 1.226 304 G CA 0.441 45.369 45.100 -0.286 0.000 0.997 304 G HN 0.553 nan 8.290 nan 0.000 0.551 305 P HA 0.124 nan 4.420 nan 0.000 0.233 305 P C 1.421 178.341 177.300 -0.632 0.000 1.167 305 P CA 1.253 63.941 63.100 -0.688 0.000 0.770 305 P CB -0.149 31.037 31.700 -0.858 0.000 0.837 306 F N -0.627 119.223 119.950 -0.165 0.000 2.615 306 F HA 0.126 4.653 4.527 -0.000 0.000 0.297 306 F C 2.369 178.117 175.800 -0.087 0.000 1.124 306 F CA 0.339 58.282 58.000 -0.094 0.000 1.451 306 F CB -0.952 38.013 39.000 -0.059 0.000 1.103 306 F HN -0.218 nan 8.300 nan 0.000 0.569 307 I N 0.151 120.727 120.570 0.009 0.000 2.361 307 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 307 I C 1.214 177.316 176.117 -0.026 0.000 1.133 307 I CA 1.327 62.621 61.300 -0.011 0.000 1.413 307 I CB -0.237 37.743 38.000 -0.033 0.000 1.073 307 I HN 0.045 nan 8.210 nan 0.000 0.424 308 D N 0.787 121.152 120.400 -0.058 0.000 2.349 308 D HA 0.222 4.861 4.640 -0.000 0.000 0.214 308 D C 0.517 176.791 176.300 -0.043 0.000 1.063 308 D CA 0.381 54.349 54.000 -0.054 0.000 0.847 308 D CB 0.397 41.152 40.800 -0.076 0.000 0.933 308 D HN 0.388 nan 8.370 nan 0.000 0.513 309 I N -3.465 117.090 120.570 -0.024 0.000 3.108 309 I HA 0.426 4.596 4.170 -0.000 0.000 0.312 309 I C -0.079 176.056 176.117 0.031 0.000 1.095 309 I CA -0.824 60.474 61.300 -0.003 0.000 1.000 309 I CB 2.321 40.312 38.000 -0.016 0.000 1.229 309 I HN -0.441 nan 8.210 nan 0.000 0.454 310 D N 0.335 120.754 120.400 0.031 0.000 2.479 310 D HA 0.068 4.708 4.640 -0.000 0.000 0.221 310 D C 1.627 177.947 176.300 0.034 0.000 1.104 310 D CA 0.432 54.449 54.000 0.028 0.000 0.849 310 D CB 0.779 41.586 40.800 0.012 0.000 1.072 310 D HN 0.463 nan 8.370 nan 0.000 0.502 311 R N 0.631 121.159 120.500 0.047 0.000 2.173 311 R HA 0.149 4.489 4.340 -0.000 0.000 0.208 311 R C 0.462 176.790 176.300 0.048 0.000 1.035 311 R CA 0.840 56.963 56.100 0.039 0.000 1.004 311 R CB 0.299 30.621 30.300 0.037 0.000 0.917 311 R HN 0.094 nan 8.270 nan 0.000 0.462 312 Q N -1.107 118.756 119.800 0.105 0.000 2.351 312 Q HA 0.706 5.046 4.340 -0.000 0.000 0.273 312 Q C -1.450 174.551 176.000 0.000 0.000 1.077 312 Q CA -1.007 54.856 55.803 0.099 0.000 0.843 312 Q CB 2.350 31.263 28.738 0.292 0.000 1.367 312 Q HN 0.212 nan 8.270 nan 0.000 0.449 313 A N 0.353 122.991 122.820 -0.303 0.000 2.413 313 A HA 0.852 5.172 4.320 -0.000 0.000 0.307 313 A C -0.291 176.655 177.584 -1.064 0.000 1.087 313 A CA -0.332 51.389 52.037 -0.526 0.000 0.750 313 A CB 1.429 20.274 19.000 -0.259 0.000 1.296 313 A HN 0.717 nan 8.150 nan 0.000 0.423 314 G N -0.993 107.103 108.800 -1.175 0.000 2.562 314 G HA2 0.516 4.476 3.960 -0.000 0.000 0.275 314 G HA3 0.516 4.476 3.960 -0.000 0.000 0.275 314 G C -0.238 174.580 174.900 -0.136 0.000 1.196 314 G CA 0.234 44.852 45.100 -0.804 0.000 0.908 314 G HN 1.065 nan 8.290 nan 0.000 0.524 315 F N -0.994 118.860 119.950 -0.159 0.000 1.826 315 F HA 0.128 4.655 4.527 -0.000 0.000 0.231 315 F C 2.018 177.806 175.800 -0.020 0.000 1.252 315 F CA 0.521 58.482 58.000 -0.065 0.000 1.294 315 F CB -0.263 38.691 39.000 -0.078 0.000 1.951 315 F HN 0.199 nan 8.300 nan 0.000 0.188 316 V N 1.885 121.695 119.914 -0.172 0.000 2.407 316 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 316 V C -0.066 175.777 176.094 -0.419 0.000 1.055 316 V CA 1.586 63.694 62.300 -0.321 0.000 1.049 316 V CB -0.875 30.854 31.823 -0.156 0.000 0.662 316 V HN 0.352 nan 8.190 nan 0.000 0.455 317 N N -0.455 118.022 118.700 -0.372 0.000 2.342 317 N HA 0.435 5.174 4.740 -0.000 0.000 0.293 317 N C -0.350 175.150 175.510 -0.017 0.000 1.026 317 N CA -0.664 52.000 53.050 -0.643 0.000 0.857 317 N CB 1.491 39.390 38.487 -0.980 0.000 1.256 317 N HN 0.188 nan 8.380 nan 0.000 0.484 318 F N -1.210 119.045 119.950 0.508 0.000 3.057 318 F HA -0.187 4.340 4.527 -0.000 0.000 0.287 318 F C 0.974 176.955 175.800 0.302 0.000 0.834 318 F CA 0.871 59.143 58.000 0.454 0.000 1.147 318 F CB -1.760 37.514 39.000 0.457 0.000 1.245 318 F HN 0.618 nan 8.300 nan 0.000 0.509 319 G N -0.270 108.750 108.800 0.365 0.000 2.921 319 G HA2 0.604 4.564 3.960 -0.000 0.000 0.291 319 G HA3 0.604 4.564 3.960 -0.000 0.000 0.291 319 G C 0.730 175.825 174.900 0.326 0.000 1.370 319 G CA -0.398 44.859 45.100 0.262 0.000 0.847 319 G HN 0.463 nan 8.290 nan 0.000 0.532 320 I N -1.526 119.223 120.570 0.298 0.000 2.423 320 I HA -0.087 4.083 4.170 -0.000 0.000 0.254 320 I C 2.350 178.576 176.117 0.181 0.000 1.151 320 I CA 2.041 63.544 61.300 0.337 0.000 1.421 320 I CB -0.230 38.037 38.000 0.446 0.000 1.079 320 I HN 0.366 nan 8.210 nan 0.000 0.431 321 S N 0.753 116.254 115.700 -0.330 0.000 2.356 321 S HA -0.328 4.142 4.470 -0.000 0.000 0.223 321 S C 2.179 176.714 174.600 -0.108 0.000 1.032 321 S CA 1.851 59.785 58.200 -0.443 0.000 1.005 321 S CB -0.738 61.786 63.200 -1.127 0.000 0.867 321 S HN 0.772 nan 8.310 nan 0.000 0.449 322 H N -1.771 117.179 119.070 -0.199 0.000 2.321 322 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 322 H C 2.134 177.415 175.328 -0.078 0.000 1.087 322 H CA 1.810 57.781 56.048 -0.128 0.000 1.319 322 H CB -0.290 29.393 29.762 -0.131 0.000 1.379 322 H HN 0.577 nan 8.280 nan 0.000 0.501 323 Y N 0.426 120.607 120.300 -0.198 0.000 2.070 323 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 323 Y C 1.961 177.589 175.900 -0.453 0.000 1.148 323 Y CA 2.015 59.794 58.100 -0.534 0.000 1.125 323 Y CB -0.725 37.234 38.460 -0.836 0.000 0.975 323 Y HN 0.156 nan 8.280 nan 0.000 0.492 324 F N -0.017 119.911 119.950 -0.037 0.000 2.293 324 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 324 F C 2.667 178.423 175.800 -0.072 0.000 1.086 324 F CA 1.614 59.551 58.000 -0.106 0.000 1.375 324 F CB -0.597 38.386 39.000 -0.029 0.000 1.045 324 F HN -0.032 nan 8.300 nan 0.000 0.516 325 R N 0.789 121.346 120.500 0.096 0.000 2.070 325 R HA -0.155 4.185 4.340 -0.000 0.000 0.233 325 R C 2.039 178.349 176.300 0.017 0.000 1.137 325 R CA 1.541 57.674 56.100 0.054 0.000 0.945 325 R CB -0.511 29.813 30.300 0.040 0.000 0.845 325 R HN 0.304 nan 8.270 nan 0.000 0.430 326 L N 0.599 121.811 121.223 -0.018 0.000 2.291 326 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 326 L C 2.237 179.063 176.870 -0.073 0.000 1.120 326 L CA 0.176 54.992 54.840 -0.040 0.000 0.799 326 L CB -0.231 41.784 42.059 -0.073 0.000 0.925 326 L HN 0.266 nan 8.230 nan 0.000 0.446 327 I N 0.397 120.859 120.570 -0.180 0.000 2.335 327 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 327 I C 2.398 178.360 176.117 -0.258 0.000 1.129 327 I CA 1.751 62.883 61.300 -0.279 0.000 1.402 327 I CB -1.483 36.276 38.000 -0.403 0.000 1.069 327 I HN 0.239 nan 8.210 nan 0.000 0.424 328 G N -0.212 108.534 108.800 -0.090 0.000 2.490 328 G HA2 0.040 4.000 3.960 -0.000 0.000 0.211 328 G HA3 0.040 4.000 3.960 -0.000 0.000 0.211 328 G C 1.808 176.733 174.900 0.042 0.000 1.159 328 G CA 0.603 45.676 45.100 -0.044 0.000 0.819 328 G HN 0.430 nan 8.290 nan 0.000 0.539 329 A N 1.259 124.102 122.820 0.038 0.000 1.969 329 A HA 0.354 4.674 4.320 -0.000 0.000 0.218 329 A C 2.641 180.266 177.584 0.068 0.000 1.169 329 A CA 1.897 53.961 52.037 0.045 0.000 0.635 329 A CB -0.586 18.433 19.000 0.033 0.000 0.810 329 A HN 0.746 nan 8.150 nan 0.000 0.445 330 A N -0.124 122.758 122.820 0.104 0.000 2.178 330 A HA -0.057 4.262 4.320 -0.000 0.000 0.218 330 A C 1.717 179.361 177.584 0.101 0.000 1.157 330 A CA 1.745 53.837 52.037 0.091 0.000 0.689 330 A CB -0.431 18.614 19.000 0.076 0.000 0.787 330 A HN 0.561 nan 8.150 nan 0.000 0.465 331 E N -0.280 120.053 120.200 0.221 0.000 2.401 331 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 331 E C 1.440 178.057 176.600 0.028 0.000 1.023 331 E CA 0.590 57.075 56.400 0.140 0.000 0.859 331 E CB -0.500 29.322 29.700 0.204 0.000 0.780 331 E HN 0.434 nan 8.360 nan 0.000 0.523 332 L N 0.033 121.269 121.223 0.021 0.000 2.261 332 L HA -0.044 4.296 4.340 -0.000 0.000 0.216 332 L C 2.029 178.901 176.870 0.003 0.000 1.114 332 L CA 1.713 56.555 54.840 0.004 0.000 0.777 332 L CB -0.786 41.279 42.059 0.011 0.000 0.910 332 L HN 0.241 nan 8.230 nan 0.000 0.440 333 A N -1.396 121.420 122.820 -0.008 0.000 2.125 333 A HA -0.249 4.070 4.320 -0.000 0.000 0.219 333 A C 2.180 179.782 177.584 0.029 0.000 1.156 333 A CA 1.376 53.415 52.037 0.003 0.000 0.671 333 A CB -0.506 18.471 19.000 -0.038 0.000 0.794 333 A HN 0.537 nan 8.150 nan 0.000 0.459 334 Q N -0.017 119.790 119.800 0.011 0.000 2.234 334 Q HA -0.138 4.202 4.340 -0.000 0.000 0.206 334 Q C 2.062 178.120 176.000 0.097 0.000 0.980 334 Q CA 1.741 57.574 55.803 0.050 0.000 0.869 334 Q CB -0.322 28.381 28.738 -0.057 0.000 0.912 334 Q HN 0.687 nan 8.270 nan 0.000 0.436 335 R N -1.145 119.381 120.500 0.043 0.000 2.092 335 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 335 R C 1.999 178.404 176.300 0.176 0.000 1.119 335 R CA 1.509 57.645 56.100 0.061 0.000 0.970 335 R CB -0.023 30.283 30.300 0.011 0.000 0.864 335 R HN 0.217 nan 8.270 nan 0.000 0.440 336 S N -0.315 115.491 115.700 0.176 0.000 2.371 336 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 336 S C 1.818 176.567 174.600 0.248 0.000 1.029 336 S CA 1.231 59.565 58.200 0.224 0.000 0.978 336 S CB -0.173 63.121 63.200 0.156 0.000 0.833 336 S HN 0.405 nan 8.310 nan 0.000 0.466 337 S N 0.614 116.438 115.700 0.206 0.000 2.380 337 S HA -0.184 4.286 4.470 -0.000 0.000 0.229 337 S C 1.571 176.321 174.600 0.250 0.000 1.043 337 S CA 1.242 59.557 58.200 0.192 0.000 1.038 337 S CB -0.505 62.828 63.200 0.223 0.000 0.872 337 S HN 0.732 nan 8.310 nan 0.000 0.456 338 W N 0.101 121.440 121.300 0.064 0.000 2.388 338 W HA -0.139 4.521 4.660 -0.000 0.000 0.294 338 W C 2.216 178.857 176.519 0.204 0.000 1.212 338 W CA 1.112 58.534 57.345 0.128 0.000 1.271 338 W CB -0.594 28.917 29.460 0.085 0.000 1.126 338 W HN 0.486 nan 8.180 nan 0.000 0.535 339 Y N 1.696 122.090 120.300 0.157 0.000 2.165 339 Y HA -0.320 4.230 4.550 -0.000 0.000 0.286 339 Y C 2.614 178.565 175.900 0.084 0.000 1.155 339 Y CA 2.033 60.166 58.100 0.054 0.000 1.164 339 Y CB -0.708 37.824 38.460 0.121 0.000 0.978 339 Y HN -0.114 nan 8.280 nan 0.000 0.513 340 Q N 0.614 120.498 119.800 0.140 0.000 2.050 340 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 340 Q C 2.241 178.269 176.000 0.047 0.000 0.980 340 Q CA 1.777 57.631 55.803 0.085 0.000 0.840 340 Q CB -0.420 28.375 28.738 0.094 0.000 0.898 340 Q HN 0.503 nan 8.270 nan 0.000 0.424 341 K N -0.767 119.577 120.400 -0.093 0.000 1.991 341 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 341 K C 2.043 178.475 176.600 -0.280 0.000 1.049 341 K CA 1.838 57.951 56.287 -0.291 0.000 0.932 341 K CB -0.168 31.869 32.500 -0.772 0.000 0.717 341 K HN 0.219 nan 8.250 nan 0.000 0.441 342 W N 0.146 121.320 121.300 -0.210 0.000 2.678 342 W HA 0.050 4.709 4.660 -0.000 0.000 0.282 342 W C 2.344 178.793 176.519 -0.117 0.000 1.137 342 W CA -0.174 57.082 57.345 -0.147 0.000 1.515 342 W CB -0.312 29.056 29.460 -0.154 0.000 1.101 342 W HN -0.050 nan 8.180 nan 0.000 0.564 343 Q N 0.390 120.214 119.800 0.039 0.000 2.230 343 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 343 Q C 1.881 177.763 176.000 -0.198 0.000 0.963 343 Q CA 1.445 57.182 55.803 -0.110 0.000 0.866 343 Q CB -0.347 28.194 28.738 -0.329 0.000 0.931 343 Q HN 0.177 nan 8.270 nan 0.000 0.452 344 V N -1.318 118.434 119.914 -0.271 0.000 2.635 344 V HA -0.043 4.077 4.120 -0.000 0.000 0.233 344 V C 1.720 177.641 176.094 -0.288 0.000 1.097 344 V CA 0.928 63.025 62.300 -0.339 0.000 1.134 344 V CB -0.406 31.123 31.823 -0.489 0.000 0.841 344 V HN 0.313 nan 8.190 nan 0.000 0.496 345 H N 0.622 119.727 119.070 0.057 0.000 2.370 345 H HA 0.222 4.778 4.556 -0.000 0.000 0.304 345 H C 0.773 176.206 175.328 0.174 0.000 1.055 345 H CA 0.565 56.696 56.048 0.139 0.000 1.373 345 H CB 0.086 30.007 29.762 0.264 0.000 1.423 345 H HN 0.272 nan 8.280 nan 0.000 0.533 346 R N -0.166 120.478 120.500 0.239 0.000 3.416 346 R HA -0.190 4.150 4.340 -0.000 0.000 0.263 346 R C -0.628 175.847 176.300 0.292 0.000 1.053 346 R CA 0.126 56.350 56.100 0.208 0.000 0.705 346 R CB -2.292 28.167 30.300 0.264 0.000 1.124 346 R HN 0.082 nan 8.270 nan 0.000 0.444 347 F N 1.040 121.087 119.950 0.161 0.000 2.429 347 F HA 0.357 4.884 4.527 -0.000 0.000 0.348 347 F C 1.088 177.020 175.800 0.220 0.000 1.109 347 F CA 0.018 58.112 58.000 0.156 0.000 1.232 347 F CB 0.612 39.677 39.000 0.108 0.000 1.157 347 F HN 0.225 nan 8.300 nan 0.000 0.564 348 A N 6.646 129.151 122.820 -0.526 0.000 2.511 348 A HA 0.262 4.582 4.320 -0.000 0.000 0.242 348 A C 0.407 178.081 177.584 0.151 0.000 1.069 348 A CA -0.580 51.319 52.037 -0.230 0.000 0.763 348 A CB 0.082 18.852 19.000 -0.383 0.000 1.001 348 A HN 0.746 nan 8.150 nan 0.000 0.498 349 R N 2.369 122.978 120.500 0.182 0.000 2.738 349 R HA 0.096 4.436 4.340 -0.000 0.000 0.268 349 R C -1.759 174.580 176.300 0.064 0.000 1.062 349 R CA -1.450 54.736 56.100 0.143 0.000 1.158 349 R CB -0.293 30.015 30.300 0.013 0.000 1.046 349 R HN 0.461 nan 8.270 nan 0.000 0.493 350 P HA -0.199 nan 4.420 nan 0.000 0.216 350 P C 1.013 178.232 177.300 -0.136 0.000 1.150 350 P CA 1.432 64.309 63.100 -0.371 0.000 0.837 350 P CB 0.072 31.321 31.700 -0.752 0.000 0.786 351 E N -0.090 120.050 120.200 -0.099 0.000 2.150 351 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 351 E C 1.895 178.637 176.600 0.237 0.000 0.985 351 E CA 1.240 57.664 56.400 0.040 0.000 0.814 351 E CB -0.943 28.794 29.700 0.062 0.000 0.752 351 E HN 0.110 nan 8.360 nan 0.000 0.466 352 A N 2.117 125.047 122.820 0.184 0.000 1.898 352 A HA -0.045 4.275 4.320 -0.000 0.000 0.216 352 A C 2.363 180.088 177.584 0.234 0.000 1.181 352 A CA 0.993 53.174 52.037 0.239 0.000 0.620 352 A CB -0.627 18.393 19.000 0.033 0.000 0.819 352 A HN 0.257 nan 8.150 nan 0.000 0.442 353 L N -0.677 120.668 121.223 0.204 0.000 2.141 353 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 353 L C 2.780 179.787 176.870 0.227 0.000 1.094 353 L CA 1.052 56.070 54.840 0.297 0.000 0.763 353 L CB -0.909 41.395 42.059 0.408 0.000 0.908 353 L HN 0.518 nan 8.230 nan 0.000 0.437 354 G N -0.088 108.783 108.800 0.119 0.000 2.422 354 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 354 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 354 G C 1.563 176.417 174.900 -0.077 0.000 1.146 354 G CA 0.774 45.903 45.100 0.050 0.000 0.769 354 G HN 0.483 nan 8.290 nan 0.000 0.547 355 G N 0.279 108.948 108.800 -0.218 0.000 2.404 355 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.215 355 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.215 355 G C 1.852 176.713 174.900 -0.066 0.000 1.174 355 G CA 1.726 46.484 45.100 -0.571 0.000 0.780 355 G HN 0.367 nan 8.290 nan 0.000 0.537 356 T N 1.226 115.859 114.554 0.131 0.000 2.684 356 T HA -0.154 4.195 4.350 -0.000 0.000 0.267 356 T C 2.245 177.104 174.700 0.265 0.000 1.036 356 T CA 1.292 63.529 62.100 0.229 0.000 1.148 356 T CB -0.301 68.756 68.868 0.315 0.000 0.863 356 T HN 0.131 nan 8.240 nan 0.000 0.436 357 L N 0.952 122.314 121.223 0.231 0.000 1.970 357 L HA -0.134 4.205 4.340 -0.000 0.000 0.212 357 L C 2.356 179.211 176.870 -0.025 0.000 1.071 357 L CA 2.352 57.189 54.840 -0.005 0.000 0.751 357 L CB -1.041 40.829 42.059 -0.316 0.000 0.889 357 L HN 0.406 nan 8.230 nan 0.000 0.432 358 H N -0.825 118.202 119.070 -0.070 0.000 2.319 358 H HA -0.211 4.344 4.556 -0.000 0.000 0.297 358 H C 2.017 177.319 175.328 -0.042 0.000 1.097 358 H CA 2.601 58.633 56.048 -0.027 0.000 1.285 358 H CB -0.367 29.372 29.762 -0.038 0.000 1.368 358 H HN 0.425 nan 8.280 nan 0.000 0.495 359 L N -0.596 120.552 121.223 -0.124 0.000 2.093 359 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 359 L C 2.562 179.343 176.870 -0.148 0.000 1.085 359 L CA 1.557 56.292 54.840 -0.175 0.000 0.755 359 L CB -0.517 41.544 42.059 0.003 0.000 0.904 359 L HN 0.369 nan 8.230 nan 0.000 0.435 360 T N 0.194 114.709 114.554 -0.064 0.000 2.746 360 T HA -0.126 4.223 4.350 -0.000 0.000 0.267 360 T C 1.908 176.529 174.700 -0.132 0.000 1.039 360 T CA 1.308 63.382 62.100 -0.044 0.000 1.142 360 T CB -0.181 68.732 68.868 0.075 0.000 0.866 360 T HN 0.193 nan 8.240 nan 0.000 0.444 361 I N 0.521 120.955 120.570 -0.227 0.000 2.361 361 I HA -0.120 4.050 4.170 -0.000 0.000 0.251 361 I C 2.436 178.383 176.117 -0.283 0.000 1.133 361 I CA 1.090 62.191 61.300 -0.333 0.000 1.413 361 I CB -0.192 37.431 38.000 -0.628 0.000 1.073 361 I HN 0.052 nan 8.210 nan 0.000 0.424 362 K N 0.641 120.862 120.400 -0.298 0.000 2.432 362 K HA 0.071 4.391 4.320 -0.000 0.000 0.196 362 K C 1.337 177.840 176.600 -0.163 0.000 1.038 362 K CA 0.910 57.053 56.287 -0.239 0.000 0.986 362 K CB 0.173 32.468 32.500 -0.341 0.000 0.782 362 K HN 0.480 nan 8.250 nan 0.000 0.485 363 G N 1.735 110.450 108.800 -0.141 0.000 2.141 363 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 363 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 363 G C 0.549 175.400 174.900 -0.081 0.000 0.982 363 G CA 0.442 45.485 45.100 -0.096 0.000 0.662 363 G HN 0.441 nan 8.290 nan 0.000 0.527 364 E N -0.792 119.351 120.200 -0.095 0.000 2.400 364 E HA 0.353 4.703 4.350 -0.000 0.000 0.195 364 E C 1.076 177.655 176.600 -0.036 0.000 1.012 364 E CA 0.297 56.656 56.400 -0.068 0.000 0.875 364 E CB 0.527 30.174 29.700 -0.088 0.000 0.859 364 E HN 0.536 nan 8.360 nan 0.000 0.498 365 L N -0.008 121.196 121.223 -0.033 0.000 2.303 365 L HA 0.382 4.722 4.340 -0.000 0.000 0.256 365 L C -0.050 176.811 176.870 -0.015 0.000 1.034 365 L CA -0.650 54.185 54.840 -0.008 0.000 0.832 365 L CB 1.989 44.062 42.059 0.023 0.000 1.403 365 L HN -0.092 nan 8.230 nan 0.000 0.419 366 N N 0.726 119.417 118.700 -0.014 0.000 2.642 366 N HA 0.293 5.033 4.740 -0.000 0.000 0.308 366 N C -0.659 174.833 175.510 -0.031 0.000 1.914 366 N CA -0.243 52.796 53.050 -0.019 0.000 0.893 366 N CB 0.962 39.434 38.487 -0.025 0.000 1.322 366 N HN 0.716 nan 8.380 nan 0.000 0.490 367 A N 0.751 123.555 122.820 -0.027 0.000 2.462 367 A HA 0.019 4.338 4.320 -0.000 0.000 0.243 367 A C 0.529 178.025 177.584 -0.148 0.000 1.076 367 A CA 0.040 51.992 52.037 -0.143 0.000 0.773 367 A CB 0.308 19.159 19.000 -0.248 0.000 1.010 367 A HN 0.501 nan 8.150 nan 0.000 0.493 368 D N 1.921 122.190 120.400 -0.218 0.000 2.977 368 D HA 0.203 4.843 4.640 -0.000 0.000 0.241 368 D C -0.471 175.753 176.300 -0.127 0.000 1.206 368 D CA 0.015 53.935 54.000 -0.132 0.000 0.902 368 D CB -1.009 39.729 40.800 -0.103 0.000 1.131 368 D HN 0.316 nan 8.370 nan 0.000 0.447 369 F N 0.469 120.418 119.950 -0.002 0.000 2.496 369 F HA 0.105 4.632 4.527 -0.000 0.000 0.344 369 F C 1.437 177.239 175.800 0.003 0.000 1.155 369 F CA -0.500 57.505 58.000 0.009 0.000 1.302 369 F CB 0.307 39.310 39.000 0.004 0.000 1.159 369 F HN 0.008 nan 8.300 nan 0.000 0.595 370 D N 1.355 121.893 120.400 0.231 0.000 2.443 370 D HA 0.032 4.672 4.640 -0.000 0.000 0.239 370 D C 1.077 177.437 176.300 0.101 0.000 1.136 370 D CA 0.106 54.184 54.000 0.129 0.000 0.879 370 D CB 0.701 41.570 40.800 0.115 0.000 1.195 370 D HN 0.459 nan 8.370 nan 0.000 0.443 371 L N 2.405 123.664 121.223 0.059 0.000 2.265 371 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 371 L C 2.315 179.196 176.870 0.018 0.000 1.117 371 L CA 0.909 55.766 54.840 0.029 0.000 0.782 371 L CB -0.658 41.410 42.059 0.015 0.000 0.914 371 L HN 0.488 nan 8.230 nan 0.000 0.441 372 S N -0.171 115.549 115.700 0.034 0.000 2.469 372 S HA -0.152 4.318 4.470 -0.000 0.000 0.238 372 S C 1.695 176.304 174.600 0.015 0.000 0.998 372 S CA 0.935 59.154 58.200 0.031 0.000 0.957 372 S CB -0.178 63.055 63.200 0.054 0.000 0.764 372 S HN 0.400 nan 8.310 nan 0.000 0.514 373 L N -0.290 120.933 121.223 -0.000 0.000 2.349 373 L HA 0.497 4.837 4.340 -0.000 0.000 0.200 373 L C 1.928 178.714 176.870 -0.139 0.000 1.064 373 L CA 0.775 55.571 54.840 -0.074 0.000 0.821 373 L CB -0.774 41.227 42.059 -0.097 0.000 1.027 373 L HN 0.258 nan 8.230 nan 0.000 0.476 374 L N 0.207 121.373 121.223 -0.095 0.000 2.131 374 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 374 L C 1.724 178.523 176.870 -0.118 0.000 1.092 374 L CA 1.766 56.539 54.840 -0.111 0.000 0.759 374 L CB -0.449 41.603 42.059 -0.012 0.000 0.903 374 L HN 0.409 nan 8.230 nan 0.000 0.435 375 E N -1.349 118.803 120.200 -0.079 0.000 2.496 375 E HA 0.060 4.410 4.350 -0.000 0.000 0.200 375 E C -0.008 176.552 176.600 -0.066 0.000 1.016 375 E CA -0.230 56.127 56.400 -0.071 0.000 0.962 375 E CB -0.001 29.675 29.700 -0.040 0.000 1.071 375 E HN 0.211 nan 8.360 nan 0.000 0.457 376 N N 1.035 119.683 118.700 -0.086 0.000 2.807 376 N HA 0.080 4.820 4.740 -0.000 0.000 0.259 376 N C 0.595 176.060 175.510 -0.075 0.000 1.149 376 N CA -0.009 53.004 53.050 -0.061 0.000 1.042 376 N CB 0.670 39.118 38.487 -0.065 0.000 1.367 376 N HN 0.152 nan 8.380 nan 0.000 0.516 377 A N 2.476 125.266 122.820 -0.049 0.000 1.883 377 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 377 A C 1.983 179.551 177.584 -0.026 0.000 1.186 377 A CA 1.626 53.637 52.037 -0.043 0.000 0.624 377 A CB -0.443 18.541 19.000 -0.027 0.000 0.822 377 A HN 0.636 nan 8.150 nan 0.000 0.444 378 E N -0.301 119.906 120.200 0.012 0.000 2.085 378 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 378 E C 1.771 178.380 176.600 0.016 0.000 0.994 378 E CA 1.605 58.040 56.400 0.059 0.000 0.801 378 E CB -0.366 29.415 29.700 0.135 0.000 0.743 378 E HN 0.477 nan 8.360 nan 0.000 0.453 379 L N -0.241 120.947 121.223 -0.058 0.000 2.068 379 L HA 0.049 4.389 4.340 -0.000 0.000 0.204 379 L C 2.120 178.790 176.870 -0.334 0.000 1.076 379 L CA 1.491 56.103 54.840 -0.381 0.000 0.753 379 L CB -0.417 41.387 42.059 -0.425 0.000 0.910 379 L HN 0.252 nan 8.230 nan 0.000 0.439 380 L N -0.606 120.491 121.223 -0.209 0.000 2.141 380 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 380 L C 2.528 179.422 176.870 0.041 0.000 1.094 380 L CA 1.171 55.957 54.840 -0.089 0.000 0.763 380 L CB -0.574 41.400 42.059 -0.141 0.000 0.908 380 L HN 0.242 nan 8.230 nan 0.000 0.437 381 K N 0.015 120.408 120.400 -0.012 0.000 2.057 381 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 381 K C 2.269 178.830 176.600 -0.066 0.000 1.050 381 K CA 1.167 57.450 56.287 -0.007 0.000 0.935 381 K CB -0.078 32.416 32.500 -0.011 0.000 0.715 381 K HN 0.236 nan 8.250 nan 0.000 0.439 382 R N 0.421 120.857 120.500 -0.107 0.000 2.092 382 R HA -0.079 4.261 4.340 -0.000 0.000 0.231 382 R C 2.287 178.494 176.300 -0.155 0.000 1.119 382 R CA 0.975 56.998 56.100 -0.129 0.000 0.970 382 R CB -0.308 29.891 30.300 -0.168 0.000 0.864 382 R HN -0.009 nan 8.270 nan 0.000 0.440 383 V N 0.982 120.790 119.914 -0.177 0.000 2.270 383 V HA -0.243 3.876 4.120 -0.000 0.000 0.245 383 V C 2.453 178.420 176.094 -0.212 0.000 1.043 383 V CA 1.958 64.166 62.300 -0.153 0.000 1.014 383 V CB -0.806 30.961 31.823 -0.094 0.000 0.645 383 V HN 0.409 nan 8.190 nan 0.000 0.447 384 A N 0.225 122.869 122.820 -0.294 0.000 1.903 384 A HA -0.263 4.056 4.320 -0.000 0.000 0.219 384 A C 2.422 179.858 177.584 -0.247 0.000 1.191 384 A CA 2.707 54.483 52.037 -0.435 0.000 0.638 384 A CB -0.973 17.807 19.000 -0.367 0.000 0.823 384 A HN 0.622 nan 8.150 nan 0.000 0.451 385 A N -0.765 121.957 122.820 -0.165 0.000 1.902 385 A HA -0.052 4.267 4.320 -0.000 0.000 0.217 385 A C 2.209 179.722 177.584 -0.119 0.000 1.181 385 A CA 1.499 53.464 52.037 -0.121 0.000 0.623 385 A CB -0.501 18.446 19.000 -0.087 0.000 0.818 385 A HN 0.609 nan 8.150 nan 0.000 0.443 386 I N -0.603 119.891 120.570 -0.127 0.000 2.439 386 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 386 I C 1.779 177.814 176.117 -0.137 0.000 1.139 386 I CA 1.135 62.363 61.300 -0.121 0.000 1.438 386 I CB -0.129 37.800 38.000 -0.118 0.000 1.085 386 I HN 0.265 nan 8.210 nan 0.000 0.427 387 N N 1.404 120.010 118.700 -0.157 0.000 2.135 387 N HA -0.062 4.678 4.740 -0.000 0.000 0.186 387 N C 1.890 177.316 175.510 -0.140 0.000 1.027 387 N CA 1.562 54.516 53.050 -0.161 0.000 0.849 387 N CB -0.539 37.833 38.487 -0.191 0.000 1.002 387 N HN 0.373 nan 8.380 nan 0.000 0.425 388 A N 0.987 123.722 122.820 -0.143 0.000 1.940 388 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 388 A C 2.296 179.827 177.584 -0.089 0.000 1.176 388 A CA 2.011 53.981 52.037 -0.111 0.000 0.631 388 A CB -0.939 17.995 19.000 -0.111 0.000 0.814 388 A HN 0.314 nan 8.150 nan 0.000 0.446 389 A N -1.051 121.714 122.820 -0.090 0.000 1.978 389 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 389 A C 2.133 179.671 177.584 -0.077 0.000 1.170 389 A CA 2.075 54.066 52.037 -0.077 0.000 0.636 389 A CB -0.406 18.549 19.000 -0.076 0.000 0.810 389 A HN 0.621 nan 8.150 nan 0.000 0.448 390 Q N -0.123 119.621 119.800 -0.094 0.000 2.163 390 Q HA 0.026 4.366 4.340 -0.000 0.000 0.198 390 Q C 0.195 176.148 176.000 -0.079 0.000 0.954 390 Q CA 0.463 56.206 55.803 -0.100 0.000 0.851 390 Q CB 0.053 28.710 28.738 -0.136 0.000 0.928 390 Q HN 0.563 nan 8.270 nan 0.000 0.459 391 N N 1.482 120.137 118.700 -0.074 0.000 2.513 391 N HA 0.195 4.935 4.740 -0.000 0.000 0.274 391 N C -2.622 172.866 175.510 -0.037 0.000 1.189 391 N CA -1.562 51.456 53.050 -0.054 0.000 0.975 391 N CB 0.464 38.917 38.487 -0.057 0.000 1.157 391 N HN 0.123 nan 8.380 nan 0.000 0.465 392 P HA 0.073 nan 4.420 nan 0.000 0.267 392 P C -0.546 176.745 177.300 -0.014 0.000 1.209 392 P CA 0.320 63.412 63.100 -0.013 0.000 0.763 392 P CB 0.021 31.720 31.700 -0.001 0.000 0.816 393 N N 1.707 120.398 118.700 -0.015 0.000 2.800 393 N HA -0.242 4.498 4.740 -0.000 0.000 0.250 393 N C -0.458 175.037 175.510 -0.025 0.000 1.078 393 N CA 0.549 53.589 53.050 -0.016 0.000 0.804 393 N CB -1.921 36.560 38.487 -0.011 0.000 1.135 393 N HN 0.544 nan 8.380 nan 0.000 0.565 394 N N 0.117 118.797 118.700 -0.033 0.000 2.721 394 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 394 N C -0.362 175.117 175.510 -0.051 0.000 1.072 394 N CA 1.331 54.354 53.050 -0.045 0.000 0.710 394 N CB -0.563 37.898 38.487 -0.042 0.000 0.993 394 N HN 0.629 nan 8.380 nan 0.000 0.547 395 E N 0.573 120.746 120.200 -0.044 0.000 2.376 395 E HA 0.167 4.517 4.350 -0.000 0.000 0.266 395 E C -0.244 176.312 176.600 -0.074 0.000 1.009 395 E CA -0.370 56.004 56.400 -0.043 0.000 0.902 395 E CB 0.667 30.355 29.700 -0.020 0.000 0.972 395 E HN 0.077 nan 8.360 nan 0.000 0.439 396 V N 4.892 124.754 119.914 -0.088 0.000 2.555 396 V HA 0.180 4.300 4.120 -0.000 0.000 0.286 396 V C 0.507 176.510 176.094 -0.152 0.000 1.044 396 V CA 0.299 62.499 62.300 -0.167 0.000 1.026 396 V CB 1.007 32.717 31.823 -0.188 0.000 0.981 396 V HN 0.882 nan 8.190 nan 0.000 0.480 397 T N 1.732 116.130 114.554 -0.260 0.000 2.883 397 T HA 0.573 4.923 4.350 -0.000 0.000 0.296 397 T C -0.566 173.911 174.700 -0.370 0.000 1.117 397 T CA -0.514 61.473 62.100 -0.189 0.000 1.006 397 T CB 1.512 70.181 68.868 -0.331 0.000 1.191 397 T HN 0.308 nan 8.240 nan 0.000 0.508 398 Y N 0.408 120.816 120.300 0.179 0.000 2.681 398 Y HA 0.455 5.004 4.550 -0.000 0.000 0.267 398 Y C 0.536 176.459 175.900 0.039 0.000 1.166 398 Y CA -0.861 57.273 58.100 0.057 0.000 1.209 398 Y CB -0.006 38.462 38.460 0.014 0.000 1.161 398 Y HN 0.361 nan 8.280 nan 0.000 0.534 399 L N 0.991 122.178 121.223 -0.059 0.000 2.467 399 L HA 0.023 4.363 4.340 -0.000 0.000 0.270 399 L C 0.124 176.959 176.870 -0.058 0.000 1.205 399 L CA -0.566 54.176 54.840 -0.163 0.000 0.828 399 L CB 0.409 42.243 42.059 -0.375 0.000 1.101 399 L HN 0.132 nan 8.230 nan 0.000 0.479 400 L N 5.301 126.399 121.223 -0.209 0.000 2.369 400 L HA 0.312 4.652 4.340 -0.000 0.000 0.279 400 L C -2.261 174.415 176.870 -0.322 0.000 1.108 400 L CA -1.377 53.148 54.840 -0.525 0.000 0.852 400 L CB 0.147 41.725 42.059 -0.802 0.000 1.169 400 L HN 0.245 nan 8.230 nan 0.000 0.452 401 P HA 0.084 nan 4.420 nan 0.000 0.266 401 P C -1.133 176.031 177.300 -0.227 0.000 1.215 401 P CA 0.066 63.034 63.100 -0.221 0.000 0.763 401 P CB 0.439 32.014 31.700 -0.208 0.000 0.806 402 Q N 2.190 121.884 119.800 -0.176 0.000 2.230 402 Q HA 0.406 4.745 4.340 -0.000 0.000 0.253 402 Q C 0.883 176.791 176.000 -0.154 0.000 0.919 402 Q CA -0.534 55.172 55.803 -0.162 0.000 0.908 402 Q CB 1.699 30.372 28.738 -0.109 0.000 1.245 402 Q HN 0.427 nan 8.270 nan 0.000 0.437 403 A N 2.568 125.252 122.820 -0.227 0.000 2.238 403 A HA 0.179 4.499 4.320 -0.000 0.000 0.208 403 A C 0.718 178.018 177.584 -0.474 0.000 1.177 403 A CA 0.368 52.198 52.037 -0.346 0.000 0.804 403 A CB -0.193 18.564 19.000 -0.405 0.000 0.823 403 A HN 0.632 nan 8.150 nan 0.000 0.482 404 I N -5.381 114.980 120.570 -0.349 0.000 2.619 404 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 404 I C 0.415 176.321 176.117 -0.352 0.000 1.100 404 I CA -0.889 60.081 61.300 -0.550 0.000 1.043 404 I CB 1.504 39.033 38.000 -0.785 0.000 1.239 404 I HN -0.123 nan 8.210 nan 0.000 0.420 405 Q N 3.351 122.819 119.800 -0.553 0.000 2.181 405 Q HA -0.183 4.157 4.340 -0.000 0.000 0.205 405 Q C 1.480 177.380 176.000 -0.167 0.000 0.980 405 Q CA 2.271 57.863 55.803 -0.352 0.000 0.862 405 Q CB 0.048 28.535 28.738 -0.419 0.000 0.905 405 Q HN 0.892 nan 8.270 nan 0.000 0.429 406 E N 0.014 120.132 120.200 -0.138 0.000 2.435 406 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 406 E C 0.989 177.547 176.600 -0.071 0.000 1.029 406 E CA 0.590 56.952 56.400 -0.063 0.000 0.865 406 E CB 0.076 29.791 29.700 0.025 0.000 0.833 406 E HN 0.197 nan 8.360 nan 0.000 0.510 407 G N 1.697 110.434 108.800 -0.104 0.000 2.539 407 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.256 407 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.256 407 G C 0.090 174.934 174.900 -0.093 0.000 1.233 407 G CA 0.342 45.377 45.100 -0.108 0.000 0.936 407 G HN 0.753 nan 8.290 nan 0.000 0.571 408 S N 1.123 116.757 115.700 -0.111 0.000 2.614 408 S HA 0.620 5.090 4.470 -0.000 0.000 0.265 408 S C -2.026 172.521 174.600 -0.088 0.000 1.303 408 S CA -0.189 57.929 58.200 -0.137 0.000 1.000 408 S CB 1.426 64.519 63.200 -0.180 0.000 0.935 408 S HN 0.664 nan 8.310 nan 0.000 0.551 409 P HA 0.131 nan 4.420 nan 0.000 0.269 409 P C -0.356 176.861 177.300 -0.138 0.000 1.217 409 P CA -0.142 62.893 63.100 -0.108 0.000 0.783 409 P CB 0.081 31.668 31.700 -0.189 0.000 0.898 410 T N 1.583 116.191 114.554 0.090 0.000 4.313 410 T HA 0.207 4.557 4.350 -0.000 0.000 0.272 410 T C -0.188 174.670 174.700 0.264 0.000 1.298 410 T CA -0.033 62.240 62.100 0.289 0.000 1.124 410 T CB -1.469 67.606 68.868 0.345 0.000 1.352 410 T HN 0.590 nan 8.240 nan 0.000 1.013 411 H N -1.663 117.233 119.070 -0.290 0.000 3.064 411 H HA 0.559 5.115 4.556 -0.000 0.000 0.352 411 H C -3.460 170.909 175.328 -1.598 0.000 1.260 411 H CA -2.639 52.713 56.048 -1.160 0.000 1.160 411 H CB 0.172 29.532 29.762 -0.670 0.000 1.879 411 H HN -0.090 nan 8.280 nan 0.000 0.544 412 P HA -0.018 nan 4.420 nan 0.000 0.269 412 P C 0.690 177.804 177.300 -0.311 0.000 1.217 412 P CA 0.037 62.539 63.100 -0.996 0.000 0.783 412 P CB 0.918 32.136 31.700 -0.803 0.000 0.898 413 S N 0.866 116.621 115.700 0.092 0.000 2.368 413 S HA -0.129 4.341 4.470 -0.000 0.000 0.224 413 S C 0.370 175.267 174.600 0.494 0.000 1.029 413 S CA 1.009 59.440 58.200 0.385 0.000 0.988 413 S CB -0.478 63.144 63.200 0.703 0.000 0.838 413 S HN 0.490 nan 8.310 nan 0.000 0.462 414 Y N 3.459 123.888 120.300 0.214 0.000 2.335 414 Y HA 0.534 5.084 4.550 -0.000 0.000 0.338 414 Y C -2.553 173.339 175.900 -0.013 0.000 0.977 414 Y CA -2.982 55.180 58.100 0.102 0.000 1.114 414 Y CB 1.498 39.965 38.460 0.012 0.000 1.182 414 Y HN 0.115 nan 8.280 nan 0.000 0.463 415 P HA 0.130 nan 4.420 nan 0.000 0.297 415 P C -0.823 176.383 177.300 -0.157 0.000 1.307 415 P CA -0.564 62.324 63.100 -0.352 0.000 0.773 415 P CB 1.190 32.636 31.700 -0.423 0.000 1.265 416 S N -1.236 114.295 115.700 -0.282 0.000 2.528 416 S HA 0.313 4.783 4.470 -0.000 0.000 0.277 416 S C 1.703 176.293 174.600 -0.016 0.000 1.297 416 S CA 0.054 57.997 58.200 -0.428 0.000 1.052 416 S CB -0.562 62.235 63.200 -0.673 0.000 0.917 416 S HN 0.549 nan 8.310 nan 0.000 0.492 417 G N 3.033 111.955 108.800 0.204 0.000 2.403 417 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 417 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 417 G C 1.094 176.111 174.900 0.196 0.000 1.154 417 G CA 0.589 45.849 45.100 0.267 0.000 0.784 417 G HN 0.866 nan 8.290 nan 0.000 0.538 418 H N 0.785 119.950 119.070 0.157 0.000 2.353 418 H HA 0.110 4.666 4.556 -0.000 0.000 0.300 418 H C 2.820 178.181 175.328 0.054 0.000 1.090 418 H CA 1.517 57.643 56.048 0.129 0.000 1.327 418 H CB -0.085 29.784 29.762 0.178 0.000 1.383 418 H HN 0.385 nan 8.280 nan 0.000 0.508 419 A N -0.366 122.535 122.820 0.135 0.000 1.898 419 A HA -0.153 4.166 4.320 -0.000 0.000 0.216 419 A C 2.410 179.992 177.584 -0.003 0.000 1.181 419 A CA 1.893 53.959 52.037 0.048 0.000 0.620 419 A CB -0.817 18.193 19.000 0.015 0.000 0.819 419 A HN 0.431 nan 8.150 nan 0.000 0.442 420 T N 0.771 115.318 114.554 -0.012 0.000 2.708 420 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 420 T C 2.158 176.768 174.700 -0.150 0.000 1.037 420 T CA 1.767 63.841 62.100 -0.043 0.000 1.146 420 T CB -0.354 68.507 68.868 -0.010 0.000 0.865 420 T HN 0.832 nan 8.240 nan 0.000 0.435 421 Q N 0.907 120.579 119.800 -0.214 0.000 2.172 421 Q HA -0.031 4.309 4.340 -0.000 0.000 0.200 421 Q C 1.885 177.339 176.000 -0.909 0.000 0.964 421 Q CA 1.074 56.527 55.803 -0.582 0.000 0.855 421 Q CB -0.335 28.189 28.738 -0.356 0.000 0.918 421 Q HN 0.445 nan 8.270 nan 0.000 0.444 422 N N 0.778 119.275 118.700 -0.338 0.000 2.331 422 N HA -0.058 4.682 4.740 -0.000 0.000 0.180 422 N C 1.852 177.330 175.510 -0.053 0.000 1.019 422 N CA 1.137 54.108 53.050 -0.132 0.000 0.881 422 N CB -0.006 38.526 38.487 0.074 0.000 0.972 422 N HN 0.482 nan 8.380 nan 0.000 0.435 423 G N 0.923 109.710 108.800 -0.022 0.000 2.402 423 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 423 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 423 G C 1.672 176.571 174.900 -0.001 0.000 1.162 423 G CA 0.866 46.094 45.100 0.213 0.000 0.777 423 G HN 0.354 nan 8.290 nan 0.000 0.539 424 A N 0.665 123.352 122.820 -0.221 0.000 1.902 424 A HA 0.123 4.443 4.320 -0.000 0.000 0.217 424 A C 2.122 179.563 177.584 -0.238 0.000 1.181 424 A CA 1.520 53.392 52.037 -0.276 0.000 0.623 424 A CB -0.508 18.262 19.000 -0.384 0.000 0.818 424 A HN 0.281 nan 8.150 nan 0.000 0.443 425 F N 0.189 120.089 119.950 -0.084 0.000 2.206 425 F HA 0.081 4.607 4.527 -0.000 0.000 0.298 425 F C 2.753 178.440 175.800 -0.188 0.000 1.090 425 F CA 0.235 58.146 58.000 -0.149 0.000 1.323 425 F CB -1.163 37.763 39.000 -0.124 0.000 1.028 425 F HN 0.234 nan 8.300 nan 0.000 0.492 426 A N -0.071 122.759 122.820 0.018 0.000 1.933 426 A HA -0.159 4.160 4.320 -0.000 0.000 0.218 426 A C 2.261 179.688 177.584 -0.263 0.000 1.175 426 A CA 2.259 54.259 52.037 -0.061 0.000 0.628 426 A CB -1.344 17.703 19.000 0.079 0.000 0.814 426 A HN 0.365 nan 8.150 nan 0.000 0.444 427 T N -0.388 113.969 114.554 -0.328 0.000 2.737 427 T HA -0.102 4.247 4.350 -0.000 0.000 0.265 427 T C 1.904 176.216 174.700 -0.647 0.000 1.038 427 T CA 1.480 63.269 62.100 -0.518 0.000 1.144 427 T CB -0.460 68.184 68.868 -0.373 0.000 0.866 427 T HN 0.153 nan 8.240 nan 0.000 0.434 428 V N 1.774 121.419 119.914 -0.448 0.000 2.252 428 V HA -0.185 3.934 4.120 -0.000 0.000 0.249 428 V C 2.515 178.301 176.094 -0.514 0.000 1.056 428 V CA 1.693 63.710 62.300 -0.472 0.000 1.022 428 V CB -0.793 30.842 31.823 -0.313 0.000 0.641 428 V HN 0.421 nan 8.190 nan 0.000 0.445 429 L N -0.629 120.335 121.223 -0.431 0.000 1.989 429 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 429 L C 2.607 179.280 176.870 -0.327 0.000 1.071 429 L CA 1.921 56.532 54.840 -0.382 0.000 0.749 429 L CB -0.737 41.146 42.059 -0.292 0.000 0.890 429 L HN 0.249 nan 8.230 nan 0.000 0.431 430 K N -0.014 120.162 120.400 -0.372 0.000 2.063 430 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 430 K C 2.227 178.559 176.600 -0.447 0.000 1.048 430 K CA 1.462 57.550 56.287 -0.331 0.000 0.928 430 K CB -0.306 31.999 32.500 -0.324 0.000 0.713 430 K HN 0.327 nan 8.250 nan 0.000 0.442 431 A N 1.109 123.396 122.820 -0.889 0.000 1.930 431 A HA -0.115 4.204 4.320 -0.000 0.000 0.217 431 A C 2.079 179.533 177.584 -0.217 0.000 1.175 431 A CA 1.218 52.779 52.037 -0.794 0.000 0.627 431 A CB -0.464 17.767 19.000 -1.281 0.000 0.815 431 A HN 0.164 nan 8.150 nan 0.000 0.443 432 L N -0.919 120.153 121.223 -0.251 0.000 2.179 432 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 432 L C 2.317 179.314 176.870 0.211 0.000 1.096 432 L CA 0.738 55.579 54.840 0.002 0.000 0.779 432 L CB -0.259 41.604 42.059 -0.327 0.000 0.922 432 L HN 0.347 nan 8.230 nan 0.000 0.443 433 I N -0.579 120.046 120.570 0.091 0.000 2.439 433 I HA -0.024 4.146 4.170 -0.000 0.000 0.251 433 I C 1.134 177.334 176.117 0.138 0.000 1.139 433 I CA 0.627 62.025 61.300 0.163 0.000 1.438 433 I CB -0.418 37.612 38.000 0.049 0.000 1.085 433 I HN 0.365 nan 8.210 nan 0.000 0.427 434 G N 0.252 109.127 108.800 0.125 0.000 2.733 434 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.686 434 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.686 434 G C 0.066 175.042 174.900 0.127 0.000 1.373 434 G CA -0.252 44.937 45.100 0.148 0.000 0.838 434 G HN 0.128 nan 8.290 nan 0.000 0.588 435 L N 0.779 122.078 121.223 0.127 0.000 2.012 435 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 435 L C 2.403 179.325 176.870 0.087 0.000 1.073 435 L CA 3.259 58.159 54.840 0.101 0.000 0.748 435 L CB -0.666 41.433 42.059 0.067 0.000 0.891 435 L HN 0.903 nan 8.230 nan 0.000 0.431 436 D N -0.842 119.601 120.400 0.073 0.000 2.087 436 D HA -0.234 4.406 4.640 -0.000 0.000 0.192 436 D C 2.281 178.638 176.300 0.094 0.000 0.993 436 D CA 1.711 55.752 54.000 0.068 0.000 0.828 436 D CB -0.064 40.765 40.800 0.049 0.000 0.968 436 D HN 0.264 nan 8.370 nan 0.000 0.448 437 R N -0.537 120.021 120.500 0.096 0.000 2.148 437 R HA 0.047 4.387 4.340 -0.000 0.000 0.227 437 R C 2.469 178.894 176.300 0.208 0.000 1.103 437 R CA 0.929 57.106 56.100 0.128 0.000 0.983 437 R CB -0.380 29.955 30.300 0.059 0.000 0.874 437 R HN 0.273 nan 8.270 nan 0.000 0.451 438 G N 0.112 109.011 108.800 0.166 0.000 2.450 438 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.220 438 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.220 438 G C 1.292 176.315 174.900 0.205 0.000 1.130 438 G CA 0.885 46.102 45.100 0.195 0.000 0.760 438 G HN 0.465 nan 8.290 nan 0.000 0.557 439 G N -0.358 108.534 108.800 0.154 0.000 2.985 439 G HA2 0.155 4.115 3.960 -0.000 0.000 0.209 439 G HA3 0.155 4.115 3.960 -0.000 0.000 0.209 439 G C 0.133 175.093 174.900 0.099 0.000 1.165 439 G CA -0.126 45.040 45.100 0.110 0.000 0.776 439 G HN 0.243 nan 8.290 nan 0.000 0.541 440 D N 0.064 120.561 120.400 0.162 0.000 2.357 440 D HA 0.219 4.858 4.640 -0.000 0.000 0.242 440 D C 0.347 176.585 176.300 -0.104 0.000 1.153 440 D CA -0.180 53.877 54.000 0.097 0.000 0.918 440 D CB 1.273 42.208 40.800 0.225 0.000 1.181 440 D HN -0.022 nan 8.370 nan 0.000 0.435 441 c N 1.628 120.136 118.600 -0.153 0.000 2.527 441 c HA 0.111 4.681 4.570 -0.000 0.000 0.396 441 c C 0.446 174.259 174.090 -0.462 0.000 1.289 441 c CA -0.742 55.453 56.329 -0.223 0.000 2.047 441 c CB -0.851 41.615 42.510 -0.072 0.000 2.568 441 c HN 0.431 nan 8.230 nan 0.000 0.573 442 Y N 5.701 125.641 120.300 -0.600 0.000 2.632 442 Y HA 0.211 4.761 4.550 -0.000 0.000 0.329 442 Y C -1.532 174.252 175.900 -0.193 0.000 1.174 442 Y CA -1.074 56.694 58.100 -0.554 0.000 1.469 442 Y CB 0.397 38.670 38.460 -0.311 0.000 1.242 442 Y HN 0.543 nan 8.280 nan 0.000 0.540 443 P HA 0.024 nan 4.420 nan 0.000 0.280 443 P C -0.855 176.527 177.300 0.136 0.000 1.244 443 P CA -0.080 63.015 63.100 -0.008 0.000 0.784 443 P CB 0.834 32.508 31.700 -0.042 0.000 0.913 444 D N 0.330 120.809 120.400 0.132 0.000 2.735 444 D HA -0.115 4.525 4.640 -0.000 0.000 0.235 444 D C -1.748 174.679 176.300 0.212 0.000 1.175 444 D CA 0.494 54.581 54.000 0.146 0.000 0.683 444 D CB -1.198 39.668 40.800 0.110 0.000 1.008 444 D HN 0.405 nan 8.370 nan 0.000 0.416 445 P HA 0.165 nan 4.420 nan 0.000 0.271 445 P C 0.207 177.611 177.300 0.173 0.000 1.218 445 P CA -0.184 63.036 63.100 0.200 0.000 0.780 445 P CB 1.396 33.230 31.700 0.223 0.000 0.901 446 V N 0.199 120.154 119.914 0.070 0.000 3.167 446 V HA 0.824 4.944 4.120 -0.000 0.000 0.310 446 V C -1.341 174.777 176.094 0.040 0.000 1.207 446 V CA -1.182 61.132 62.300 0.023 0.000 1.059 446 V CB 1.835 33.609 31.823 -0.081 0.000 1.079 446 V HN 0.658 nan 8.190 nan 0.000 0.446 447 Y N -1.457 118.817 120.300 -0.042 0.000 2.479 447 Y HA 0.941 5.491 4.550 -0.000 0.000 0.338 447 Y C -3.310 172.551 175.900 -0.065 0.000 1.055 447 Y CA -3.024 55.038 58.100 -0.063 0.000 1.023 447 Y CB 1.508 39.957 38.460 -0.018 0.000 1.287 447 Y HN 0.472 nan 8.280 nan 0.000 0.447 448 P HA 0.061 nan 4.420 nan 0.000 0.269 448 P C -0.509 176.891 177.300 0.167 0.000 1.209 448 P CA 0.127 63.228 63.100 0.001 0.000 0.776 448 P CB 0.735 32.502 31.700 0.112 0.000 0.876 449 D N 0.844 121.314 120.400 0.117 0.000 2.384 449 D HA -0.012 4.628 4.640 -0.000 0.000 0.244 449 D C 0.433 176.843 176.300 0.184 0.000 1.251 449 D CA -0.043 54.051 54.000 0.156 0.000 0.961 449 D CB -0.020 40.839 40.800 0.098 0.000 1.116 449 D HN 0.201 nan 8.370 nan 0.000 0.484 450 D N -0.713 119.783 120.400 0.161 0.000 2.218 450 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 450 D C 0.754 177.117 176.300 0.104 0.000 0.976 450 D CA 0.913 54.989 54.000 0.126 0.000 0.853 450 D CB -0.092 40.770 40.800 0.103 0.000 0.939 450 D HN 0.425 nan 8.370 nan 0.000 0.481 451 D N -0.549 119.914 120.400 0.106 0.000 2.349 451 D HA 0.097 4.737 4.640 -0.000 0.000 0.215 451 D C 1.395 177.766 176.300 0.119 0.000 1.016 451 D CA 0.617 54.672 54.000 0.092 0.000 0.870 451 D CB 0.346 41.191 40.800 0.076 0.000 0.917 451 D HN 0.220 nan 8.370 nan 0.000 0.524 452 G N 1.266 110.172 108.800 0.177 0.000 2.221 452 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.265 452 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.265 452 G C 0.847 175.914 174.900 0.278 0.000 1.041 452 G CA 0.394 45.657 45.100 0.272 0.000 0.807 452 G HN 0.398 nan 8.290 nan 0.000 0.502 453 L N -2.013 119.347 121.223 0.230 0.000 2.575 453 L HA 0.362 4.702 4.340 -0.000 0.000 0.228 453 L C 0.931 177.955 176.870 0.257 0.000 1.075 453 L CA 0.525 55.456 54.840 0.152 0.000 0.867 453 L CB 0.034 42.144 42.059 0.084 0.000 1.097 453 L HN 0.004 nan 8.230 nan 0.000 0.485 454 K N 0.782 121.364 120.400 0.303 0.000 2.477 454 K HA 0.555 4.875 4.320 -0.000 0.000 0.255 454 K C -1.069 175.595 176.600 0.106 0.000 0.952 454 K CA -0.492 55.937 56.287 0.237 0.000 0.826 454 K CB 2.913 35.477 32.500 0.107 0.000 1.331 454 K HN -0.100 nan 8.250 nan 0.000 0.437 455 L N 2.901 124.117 121.223 -0.012 0.000 2.292 455 L HA 0.426 4.765 4.340 -0.000 0.000 0.284 455 L C -0.089 176.657 176.870 -0.208 0.000 1.065 455 L CA -0.911 53.798 54.840 -0.218 0.000 0.806 455 L CB 0.679 42.591 42.059 -0.246 0.000 1.175 455 L HN 0.291 nan 8.230 nan 0.000 0.431 456 I N 1.993 122.331 120.570 -0.386 0.000 2.377 456 I HA 0.206 4.376 4.170 -0.000 0.000 0.293 456 I C -0.186 175.716 176.117 -0.359 0.000 0.987 456 I CA -0.734 60.301 61.300 -0.443 0.000 1.185 456 I CB 1.452 38.970 38.000 -0.803 0.000 1.341 456 I HN 0.443 nan 8.210 nan 0.000 0.455 457 D N 5.228 125.536 120.400 -0.153 0.000 2.472 457 D HA -0.011 4.629 4.640 -0.000 0.000 0.248 457 D C -0.293 176.051 176.300 0.072 0.000 1.174 457 D CA 0.405 54.388 54.000 -0.028 0.000 0.883 457 D CB 0.189 40.982 40.800 -0.011 0.000 1.149 457 D HN 0.244 nan 8.370 nan 0.000 0.488 458 F N 3.008 122.980 119.950 0.038 0.000 2.420 458 F HA 0.279 4.806 4.527 -0.000 0.000 0.352 458 F C 0.356 176.207 175.800 0.085 0.000 1.108 458 F CA -0.656 57.431 58.000 0.146 0.000 1.162 458 F CB 0.573 39.678 39.000 0.176 0.000 1.118 458 F HN 0.102 nan 8.300 nan 0.000 0.510 459 R N 5.275 125.374 120.500 -0.669 0.000 2.396 459 R HA 0.530 4.869 4.340 -0.000 0.000 0.292 459 R C -0.010 175.786 176.300 -0.839 0.000 1.240 459 R CA -0.418 55.342 56.100 -0.567 0.000 1.270 459 R CB 0.868 31.019 30.300 -0.249 0.000 1.108 459 R HN 0.951 nan 8.270 nan 0.000 0.573 460 G N -0.177 108.025 108.800 -0.997 0.000 2.793 460 G HA2 0.158 4.118 3.960 -0.000 0.000 0.248 460 G HA3 0.158 4.118 3.960 -0.000 0.000 0.248 460 G C -0.833 174.007 174.900 -0.100 0.000 1.198 460 G CA -0.491 44.281 45.100 -0.547 0.000 0.865 460 G HN 0.281 nan 8.290 nan 0.000 0.534 461 S N -0.914 114.859 115.700 0.122 0.000 2.576 461 S HA 0.243 4.713 4.470 -0.000 0.000 0.272 461 S C 0.730 175.440 174.600 0.183 0.000 1.352 461 S CA -0.158 58.122 58.200 0.134 0.000 1.021 461 S CB 0.920 64.200 63.200 0.133 0.000 0.887 461 S HN 0.981 nan 8.310 nan 0.000 0.542 462 c N 4.104 122.763 118.600 0.099 0.000 2.523 462 c HA 0.149 4.718 4.570 -0.000 0.000 0.406 462 c C 0.064 174.197 174.090 0.071 0.000 1.449 462 c CA -0.373 56.000 56.329 0.074 0.000 1.588 462 c CB -2.046 40.485 42.510 0.035 0.000 2.514 462 c HN 0.640 nan 8.230 nan 0.000 0.606 463 L N 8.270 129.530 121.223 0.060 0.000 2.259 463 L HA 0.301 4.641 4.340 -0.000 0.000 0.288 463 L C 1.116 177.966 176.870 -0.033 0.000 1.051 463 L CA -0.165 54.673 54.840 -0.002 0.000 0.824 463 L CB 0.759 42.781 42.059 -0.061 0.000 1.206 463 L HN 0.847 nan 8.230 nan 0.000 0.429 464 T N -1.686 112.858 114.554 -0.018 0.000 2.898 464 T HA 0.152 4.502 4.350 -0.000 0.000 0.301 464 T C 1.181 175.905 174.700 0.040 0.000 1.049 464 T CA -0.297 61.792 62.100 -0.018 0.000 1.095 464 T CB 0.745 69.639 68.868 0.043 0.000 0.976 464 T HN 0.255 nan 8.240 nan 0.000 0.539 465 F N 1.404 121.436 119.950 0.135 0.000 2.091 465 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 465 F C 2.671 178.531 175.800 0.099 0.000 1.103 465 F CA 2.030 60.120 58.000 0.149 0.000 1.228 465 F CB -0.660 38.402 39.000 0.104 0.000 0.984 465 F HN 0.864 nan 8.300 nan 0.000 0.477 466 E N -0.465 119.890 120.200 0.257 0.000 2.150 466 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 466 E C 2.511 179.182 176.600 0.117 0.000 0.985 466 E CA 1.258 57.748 56.400 0.150 0.000 0.814 466 E CB -1.008 28.760 29.700 0.114 0.000 0.752 466 E HN 0.387 nan 8.360 nan 0.000 0.466 467 G N 1.290 110.151 108.800 0.102 0.000 2.403 467 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 467 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 467 G C 1.527 176.452 174.900 0.041 0.000 1.154 467 G CA 0.422 45.561 45.100 0.064 0.000 0.784 467 G HN 0.116 nan 8.290 nan 0.000 0.538 468 E N 0.339 120.574 120.200 0.059 0.000 2.208 468 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 468 E C 2.485 179.118 176.600 0.056 0.000 0.988 468 E CA 0.243 56.653 56.400 0.017 0.000 0.828 468 E CB -0.006 29.690 29.700 -0.007 0.000 0.763 468 E HN 0.511 nan 8.360 nan 0.000 0.478 469 I N 1.558 122.193 120.570 0.108 0.000 2.233 469 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 469 I C 1.905 178.085 176.117 0.106 0.000 1.093 469 I CA 0.729 62.084 61.300 0.091 0.000 1.380 469 I CB -0.206 37.836 38.000 0.071 0.000 1.067 469 I HN 0.001 nan 8.210 nan 0.000 0.413 470 N N 1.054 119.837 118.700 0.139 0.000 2.120 470 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 470 N C 1.752 177.318 175.510 0.093 0.000 1.024 470 N CA 1.214 54.414 53.050 0.250 0.000 0.852 470 N CB -0.369 38.296 38.487 0.297 0.000 1.003 470 N HN 0.308 nan 8.380 nan 0.000 0.424 471 K N 0.563 120.962 120.400 -0.001 0.000 2.103 471 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 471 K C 1.950 178.486 176.600 -0.105 0.000 1.048 471 K CA 0.834 57.051 56.287 -0.117 0.000 0.930 471 K CB -0.195 32.210 32.500 -0.159 0.000 0.716 471 K HN 0.050 nan 8.250 nan 0.000 0.444 472 L N 0.885 122.091 121.223 -0.029 0.000 2.017 472 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 472 L C 2.187 179.070 176.870 0.022 0.000 1.073 472 L CA 2.253 57.096 54.840 0.004 0.000 0.745 472 L CB -0.881 41.200 42.059 0.037 0.000 0.894 472 L HN 0.192 nan 8.230 nan 0.000 0.432 473 A N -1.073 121.778 122.820 0.051 0.000 1.933 473 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 473 A C 2.232 179.784 177.584 -0.052 0.000 1.175 473 A CA 2.028 54.098 52.037 0.055 0.000 0.628 473 A CB -1.098 17.988 19.000 0.142 0.000 0.814 473 A HN 0.351 nan 8.150 nan 0.000 0.444 474 V N 0.565 120.376 119.914 -0.172 0.000 2.548 474 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 474 V C 2.090 177.985 176.094 -0.331 0.000 1.055 474 V CA 1.959 64.010 62.300 -0.415 0.000 1.065 474 V CB -1.174 30.279 31.823 -0.616 0.000 0.681 474 V HN 0.627 nan 8.190 nan 0.000 0.462 475 N N 0.212 118.809 118.700 -0.170 0.000 2.043 475 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 475 N C 1.800 177.381 175.510 0.118 0.000 1.037 475 N CA 1.542 54.590 53.050 -0.003 0.000 0.851 475 N CB -0.217 38.281 38.487 0.018 0.000 1.027 475 N HN 0.300 nan 8.380 nan 0.000 0.422 476 V N 1.477 121.456 119.914 0.109 0.000 2.295 476 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 476 V C 2.391 178.605 176.094 0.200 0.000 1.049 476 V CA 1.977 64.384 62.300 0.180 0.000 1.024 476 V CB -0.977 30.970 31.823 0.207 0.000 0.648 476 V HN 0.356 nan 8.190 nan 0.000 0.447 477 A N -0.150 122.762 122.820 0.153 0.000 1.865 477 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 477 A C 2.020 179.806 177.584 0.337 0.000 1.191 477 A CA 2.001 54.157 52.037 0.198 0.000 0.623 477 A CB -0.727 18.347 19.000 0.124 0.000 0.826 477 A HN 0.458 nan 8.150 nan 0.000 0.444 478 F N 0.404 120.392 119.950 0.062 0.000 2.407 478 F HA 0.073 4.600 4.527 -0.000 0.000 0.299 478 F C 2.535 178.397 175.800 0.103 0.000 1.097 478 F CA 0.065 58.112 58.000 0.079 0.000 1.422 478 F CB -1.324 37.746 39.000 0.117 0.000 1.067 478 F HN 0.267 nan 8.300 nan 0.000 0.539 479 G N 0.049 109.031 108.800 0.304 0.000 2.432 479 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 479 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 479 G C 1.969 176.955 174.900 0.142 0.000 1.135 479 G CA 0.268 45.502 45.100 0.223 0.000 0.767 479 G HN 0.135 nan 8.290 nan 0.000 0.550 480 R N 0.184 120.758 120.500 0.124 0.000 2.090 480 R HA 0.025 4.365 4.340 -0.000 0.000 0.228 480 R C 2.610 178.933 176.300 0.039 0.000 1.110 480 R CA 0.933 57.075 56.100 0.070 0.000 0.973 480 R CB -0.729 29.652 30.300 0.136 0.000 0.869 480 R HN 0.479 nan 8.270 nan 0.000 0.440 481 Q N 0.381 120.214 119.800 0.054 0.000 2.061 481 Q HA -0.070 4.269 4.340 -0.000 0.000 0.204 481 Q C 2.108 178.030 176.000 -0.130 0.000 0.984 481 Q CA 1.724 57.486 55.803 -0.067 0.000 0.846 481 Q CB -0.188 28.460 28.738 -0.151 0.000 0.902 481 Q HN 0.265 nan 8.270 nan 0.000 0.421 482 M N 0.003 119.554 119.600 -0.081 0.000 2.446 482 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 482 M C 1.659 177.910 176.300 -0.081 0.000 1.066 482 M CA 1.005 56.249 55.300 -0.093 0.000 1.087 482 M CB -0.027 32.567 32.600 -0.011 0.000 1.406 482 M HN 0.184 nan 8.290 nan 0.000 0.459 483 L N -0.715 120.469 121.223 -0.066 0.000 2.313 483 L HA 0.056 4.395 4.340 -0.000 0.000 0.214 483 L C 1.560 178.323 176.870 -0.179 0.000 1.119 483 L CA 0.825 55.600 54.840 -0.108 0.000 0.809 483 L CB -0.294 41.713 42.059 -0.086 0.000 0.933 483 L HN 0.609 nan 8.230 nan 0.000 0.449 484 G N 0.358 109.038 108.800 -0.201 0.000 2.175 484 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.182 484 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.182 484 G C 0.670 175.396 174.900 -0.290 0.000 1.003 484 G CA 0.159 45.102 45.100 -0.261 0.000 0.666 484 G HN 0.427 nan 8.290 nan 0.000 0.506 485 I N -3.270 117.136 120.570 -0.274 0.000 4.082 485 I HA 0.575 4.744 4.170 -0.000 0.000 0.337 485 I C 0.251 176.074 176.117 -0.490 0.000 1.352 485 I CA -0.475 60.610 61.300 -0.359 0.000 1.097 485 I CB 0.280 38.083 38.000 -0.330 0.000 1.048 485 I HN 0.022 nan 8.210 nan 0.000 0.393 486 H N -0.131 118.790 119.070 -0.247 0.000 3.008 486 H HA 0.512 5.068 4.556 -0.000 0.000 0.354 486 H C -1.562 173.562 175.328 -0.339 0.000 1.252 486 H CA -0.606 55.321 56.048 -0.201 0.000 1.117 486 H CB 1.831 31.572 29.762 -0.036 0.000 1.857 486 H HN -0.086 nan 8.280 nan 0.000 0.547 487 Y N -0.301 119.944 120.300 -0.091 0.000 2.568 487 Y HA 0.270 4.820 4.550 -0.000 0.000 0.327 487 Y C 1.992 177.636 175.900 -0.428 0.000 1.163 487 Y CA -0.855 56.982 58.100 -0.439 0.000 1.219 487 Y CB 1.070 38.902 38.460 -1.047 0.000 1.308 487 Y HN 0.522 nan 8.280 nan 0.000 0.503 488 R N 0.636 120.969 120.500 -0.279 0.000 2.117 488 R HA -0.208 4.132 4.340 -0.000 0.000 0.243 488 R C 1.481 177.756 176.300 -0.042 0.000 1.143 488 R CA 2.438 58.410 56.100 -0.213 0.000 0.968 488 R CB -0.500 29.671 30.300 -0.215 0.000 0.863 488 R HN 0.770 nan 8.270 nan 0.000 0.444 489 F N 0.507 120.496 119.950 0.065 0.000 2.234 489 F HA 0.010 4.537 4.527 -0.000 0.000 0.299 489 F C 1.498 177.418 175.800 0.200 0.000 1.087 489 F CA 0.474 58.511 58.000 0.061 0.000 1.340 489 F CB -0.908 38.027 39.000 -0.107 0.000 1.031 489 F HN -0.085 nan 8.300 nan 0.000 0.500 490 D N 1.186 121.868 120.400 0.470 0.000 2.123 490 D HA -0.107 4.532 4.640 -0.000 0.000 0.196 490 D C 2.518 178.860 176.300 0.070 0.000 0.992 490 D CA 1.726 55.914 54.000 0.314 0.000 0.833 490 D CB -0.943 39.935 40.800 0.131 0.000 0.954 490 D HN 0.460 nan 8.370 nan 0.000 0.455 491 G N 0.879 109.728 108.800 0.082 0.000 2.404 491 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.213 491 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.213 491 G C 1.617 176.579 174.900 0.103 0.000 1.189 491 G CA 0.089 45.253 45.100 0.108 0.000 0.796 491 G HN 0.112 nan 8.290 nan 0.000 0.532 492 I N 1.046 121.695 120.570 0.133 0.000 2.179 492 I HA -0.118 4.052 4.170 -0.000 0.000 0.242 492 I C 2.840 179.031 176.117 0.125 0.000 1.088 492 I CA 1.054 62.394 61.300 0.066 0.000 1.357 492 I CB -1.018 36.990 38.000 0.014 0.000 1.051 492 I HN 0.200 nan 8.210 nan 0.000 0.409 493 Q N 0.434 120.317 119.800 0.137 0.000 2.167 493 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 493 Q C 2.313 178.318 176.000 0.009 0.000 0.970 493 Q CA 1.450 57.310 55.803 0.095 0.000 0.855 493 Q CB -0.720 28.096 28.738 0.131 0.000 0.911 493 Q HN 0.577 nan 8.270 nan 0.000 0.438 494 G N 0.835 109.621 108.800 -0.022 0.000 2.402 494 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 494 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 494 G C 1.582 176.490 174.900 0.014 0.000 1.162 494 G CA 0.314 45.386 45.100 -0.047 0.000 0.777 494 G HN 0.251 nan 8.290 nan 0.000 0.539 495 L N -0.056 121.188 121.223 0.035 0.000 2.042 495 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 495 L C 2.886 179.856 176.870 0.166 0.000 1.076 495 L CA 0.784 55.654 54.840 0.050 0.000 0.749 495 L CB -0.369 41.632 42.059 -0.097 0.000 0.893 495 L HN 0.187 nan 8.230 nan 0.000 0.432 496 L N -1.204 120.115 121.223 0.161 0.000 2.109 496 L HA -0.203 4.136 4.340 -0.000 0.000 0.207 496 L C 2.508 179.458 176.870 0.133 0.000 1.086 496 L CA 0.475 55.428 54.840 0.187 0.000 0.760 496 L CB -0.485 41.679 42.059 0.174 0.000 0.910 496 L HN 0.219 nan 8.230 nan 0.000 0.437 497 L N 0.527 121.798 121.223 0.079 0.000 2.013 497 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 497 L C 2.355 179.257 176.870 0.054 0.000 1.073 497 L CA 2.300 57.171 54.840 0.052 0.000 0.753 497 L CB -1.194 40.872 42.059 0.012 0.000 0.890 497 L HN 0.168 nan 8.230 nan 0.000 0.432 498 G N -1.387 107.439 108.800 0.044 0.000 2.421 498 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.216 498 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.216 498 G C 1.496 176.407 174.900 0.018 0.000 1.171 498 G CA 0.771 45.873 45.100 0.004 0.000 0.775 498 G HN 0.569 nan 8.290 nan 0.000 0.543 499 E N -0.148 120.105 120.200 0.089 0.000 2.051 499 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 499 E C 2.548 179.196 176.600 0.080 0.000 0.991 499 E CA 1.571 57.998 56.400 0.044 0.000 0.799 499 E CB -0.195 29.551 29.700 0.077 0.000 0.748 499 E HN 0.353 nan 8.360 nan 0.000 0.449 500 T N 1.251 115.898 114.554 0.155 0.000 2.708 500 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 500 T C 1.931 176.724 174.700 0.156 0.000 1.037 500 T CA 1.497 63.743 62.100 0.243 0.000 1.146 500 T CB -0.235 68.725 68.868 0.154 0.000 0.865 500 T HN 0.179 nan 8.240 nan 0.000 0.435 501 I N 1.121 121.737 120.570 0.077 0.000 2.208 501 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 501 I C 2.668 178.795 176.117 0.017 0.000 1.097 501 I CA 1.171 62.496 61.300 0.043 0.000 1.363 501 I CB -0.568 37.446 38.000 0.024 0.000 1.051 501 I HN 0.254 nan 8.210 nan 0.000 0.413 502 T N 0.086 114.632 114.554 -0.013 0.000 2.821 502 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 502 T C 2.007 176.663 174.700 -0.073 0.000 1.046 502 T CA 1.038 63.100 62.100 -0.064 0.000 1.139 502 T CB -0.199 68.598 68.868 -0.119 0.000 0.871 502 T HN 0.105 nan 8.240 nan 0.000 0.454 503 V N 1.659 121.543 119.914 -0.051 0.000 2.343 503 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 503 V C 2.766 178.845 176.094 -0.026 0.000 1.051 503 V CA 1.465 63.705 62.300 -0.100 0.000 1.036 503 V CB -0.477 31.158 31.823 -0.313 0.000 0.654 503 V HN 0.338 nan 8.190 nan 0.000 0.451 504 R N 0.001 120.525 120.500 0.040 0.000 2.083 504 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 504 R C 2.361 178.682 176.300 0.036 0.000 1.137 504 R CA 2.068 58.198 56.100 0.050 0.000 0.951 504 R CB -1.235 29.093 30.300 0.046 0.000 0.851 504 R HN 0.524 nan 8.270 nan 0.000 0.434 505 T N 2.199 116.762 114.554 0.015 0.000 2.737 505 T HA -0.053 4.297 4.350 -0.000 0.000 0.265 505 T C 2.105 176.824 174.700 0.032 0.000 1.038 505 T CA 0.904 63.012 62.100 0.013 0.000 1.144 505 T CB -0.248 68.621 68.868 0.001 0.000 0.866 505 T HN 0.114 nan 8.240 nan 0.000 0.434 506 L N 0.024 121.252 121.223 0.008 0.000 2.013 506 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 506 L C 2.558 179.556 176.870 0.213 0.000 1.073 506 L CA 1.871 56.727 54.840 0.026 0.000 0.753 506 L CB -0.573 41.355 42.059 -0.218 0.000 0.890 506 L HN 0.471 nan 8.230 nan 0.000 0.432 507 H N -0.965 118.131 119.070 0.042 0.000 2.357 507 H HA -0.202 4.354 4.556 -0.000 0.000 0.301 507 H C 2.449 177.768 175.328 -0.014 0.000 1.082 507 H CA 1.361 57.435 56.048 0.043 0.000 1.342 507 H CB 0.312 30.060 29.762 -0.023 0.000 1.389 507 H HN 0.323 nan 8.280 nan 0.000 0.511 508 Q N 0.589 120.423 119.800 0.058 0.000 2.077 508 Q HA -0.215 4.125 4.340 -0.000 0.000 0.206 508 Q C 2.017 177.966 176.000 -0.085 0.000 0.989 508 Q CA 2.118 57.894 55.803 -0.046 0.000 0.853 508 Q CB 0.094 28.811 28.738 -0.034 0.000 0.907 508 Q HN 0.619 nan 8.270 nan 0.000 0.418 509 E N 0.005 120.158 120.200 -0.078 0.000 2.072 509 E HA -0.197 4.152 4.350 -0.000 0.000 0.191 509 E C 2.084 178.237 176.600 -0.746 0.000 0.985 509 E CA 0.958 57.221 56.400 -0.229 0.000 0.801 509 E CB -0.165 29.516 29.700 -0.032 0.000 0.750 509 E HN 0.272 nan 8.360 nan 0.000 0.452 510 L N 0.881 121.783 121.223 -0.534 0.000 2.081 510 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 510 L C 2.158 178.755 176.870 -0.455 0.000 1.080 510 L CA 1.729 56.176 54.840 -0.655 0.000 0.754 510 L CB -0.260 41.755 42.059 -0.073 0.000 0.893 510 L HN 0.155 nan 8.230 nan 0.000 0.433 511 M N -1.319 118.150 119.600 -0.219 0.000 2.374 511 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 511 M C 1.914 178.143 176.300 -0.120 0.000 1.067 511 M CA 1.854 57.086 55.300 -0.114 0.000 1.103 511 M CB -0.618 31.925 32.600 -0.095 0.000 1.402 511 M HN 0.572 nan 8.290 nan 0.000 0.444 512 T N -1.782 112.653 114.554 -0.197 0.000 3.043 512 T HA 0.056 4.406 4.350 -0.000 0.000 0.263 512 T C 0.424 175.174 174.700 0.083 0.000 1.094 512 T CA -0.147 61.917 62.100 -0.061 0.000 1.127 512 T CB -0.277 68.578 68.868 -0.023 0.000 0.905 512 T HN -0.020 nan 8.240 nan 0.000 0.490 513 F N 1.806 121.776 119.950 0.033 0.000 2.518 513 F HA 0.643 5.170 4.527 -0.000 0.000 0.359 513 F C 1.726 177.558 175.800 0.053 0.000 1.118 513 F CA -1.594 56.430 58.000 0.040 0.000 1.287 513 F CB -0.071 38.966 39.000 0.063 0.000 1.132 513 F HN 0.151 nan 8.300 nan 0.000 0.587 514 A N 2.141 125.112 122.820 0.251 0.000 1.873 514 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 514 A C 1.055 178.724 177.584 0.142 0.000 1.186 514 A CA 0.862 52.991 52.037 0.153 0.000 0.616 514 A CB -0.796 18.272 19.000 0.113 0.000 0.823 514 A HN 0.725 nan 8.150 nan 0.000 0.442 515 E N 1.607 121.906 120.200 0.165 0.000 2.383 515 E HA 0.117 4.467 4.350 -0.000 0.000 0.264 515 E C -0.911 175.739 176.600 0.082 0.000 1.050 515 E CA -0.318 56.141 56.400 0.098 0.000 0.896 515 E CB 0.405 30.150 29.700 0.075 0.000 0.982 515 E HN 0.492 nan 8.360 nan 0.000 0.424 516 E N 1.086 121.286 120.200 -0.001 0.000 2.366 516 E HA 0.174 4.524 4.350 -0.000 0.000 0.266 516 E C -0.476 176.071 176.600 -0.089 0.000 1.015 516 E CA 0.226 56.615 56.400 -0.017 0.000 0.906 516 E CB 0.619 30.297 29.700 -0.037 0.000 0.979 516 E HN 0.629 nan 8.360 nan 0.000 0.443 517 S N 1.423 117.091 115.700 -0.054 0.000 2.615 517 S HA 0.565 5.035 4.470 -0.000 0.000 0.268 517 S C -0.474 174.040 174.600 -0.144 0.000 1.146 517 S CA -1.029 57.063 58.200 -0.180 0.000 0.818 517 S CB 1.793 64.858 63.200 -0.226 0.000 1.111 517 S HN 0.523 nan 8.310 nan 0.000 0.465 518 T N -1.545 112.854 114.554 -0.258 0.000 2.716 518 T HA 0.838 5.188 4.350 -0.000 0.000 0.286 518 T C -1.581 172.935 174.700 -0.307 0.000 1.052 518 T CA -0.736 61.195 62.100 -0.282 0.000 1.024 518 T CB 0.864 69.517 68.868 -0.358 0.000 1.349 518 T HN 0.524 nan 8.240 nan 0.000 0.525 519 F N 0.217 120.130 119.950 -0.062 0.000 2.551 519 F HA 0.768 5.295 4.527 -0.000 0.000 0.316 519 F C 0.140 175.911 175.800 -0.049 0.000 1.089 519 F CA -0.884 57.141 58.000 0.042 0.000 0.915 519 F CB 2.285 41.360 39.000 0.125 0.000 1.186 519 F HN 0.870 nan 8.300 nan 0.000 0.456 520 E N 3.399 123.760 120.200 0.268 0.000 2.291 520 E HA 0.587 4.937 4.350 -0.000 0.000 0.276 520 E C -1.816 174.913 176.600 0.216 0.000 0.896 520 E CA -0.491 55.963 56.400 0.089 0.000 0.774 520 E CB 1.856 31.555 29.700 -0.003 0.000 1.227 520 E HN 0.459 nan 8.360 nan 0.000 0.413 521 F N 0.833 120.744 119.950 -0.065 0.000 2.858 521 F HA 0.510 5.037 4.527 -0.000 0.000 0.319 521 F C -1.740 173.999 175.800 -0.101 0.000 1.166 521 F CA -1.236 56.718 58.000 -0.078 0.000 0.899 521 F CB 0.971 39.903 39.000 -0.115 0.000 1.332 521 F HN 0.292 nan 8.300 nan 0.000 0.461 522 R N 2.242 122.774 120.500 0.053 0.000 2.265 522 R HA 0.644 4.984 4.340 -0.000 0.000 0.319 522 R C -0.889 175.372 176.300 -0.065 0.000 1.006 522 R CA -0.625 55.434 56.100 -0.067 0.000 0.880 522 R CB 0.842 31.142 30.300 -0.000 0.000 1.077 522 R HN 0.806 nan 8.270 nan 0.000 0.454 523 L N 3.879 124.985 121.223 -0.195 0.000 2.472 523 L HA 0.069 4.409 4.340 -0.000 0.000 0.260 523 L C 1.193 177.947 176.870 -0.193 0.000 1.209 523 L CA -0.359 54.351 54.840 -0.216 0.000 0.817 523 L CB 0.186 42.135 42.059 -0.183 0.000 1.106 523 L HN 0.668 nan 8.230 nan 0.000 0.479 524 F N 0.196 119.989 119.950 -0.262 0.000 2.120 524 F HA -0.216 4.311 4.527 -0.000 0.000 0.300 524 F C 2.651 178.194 175.800 -0.427 0.000 1.095 524 F CA 1.756 59.443 58.000 -0.521 0.000 1.249 524 F CB -1.082 37.149 39.000 -1.280 0.000 0.995 524 F HN 0.635 nan 8.300 nan 0.000 0.480 525 T N -3.108 111.369 114.554 -0.129 0.000 3.160 525 T HA 0.405 4.755 4.350 -0.000 0.000 0.257 525 T C 1.739 176.463 174.700 0.040 0.000 1.147 525 T CA 0.638 62.749 62.100 0.018 0.000 1.064 525 T CB -0.194 68.706 68.868 0.054 0.000 0.949 525 T HN 0.514 nan 8.240 nan 0.000 0.526 526 G N 0.689 109.495 108.800 0.010 0.000 2.238 526 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 526 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 526 G C -0.182 174.713 174.900 -0.009 0.000 0.996 526 G CA -0.295 44.813 45.100 0.014 0.000 0.632 526 G HN 0.585 nan 8.290 nan 0.000 0.503 527 E N 0.132 120.319 120.200 -0.021 0.000 2.390 527 E HA 0.499 4.849 4.350 -0.000 0.000 0.261 527 E C 0.363 176.911 176.600 -0.087 0.000 1.076 527 E CA -0.189 56.194 56.400 -0.030 0.000 0.905 527 E CB 1.591 31.287 29.700 -0.007 0.000 0.984 527 E HN 0.209 nan 8.360 nan 0.000 0.427 528 V N 3.803 123.669 119.914 -0.079 0.000 2.406 528 V HA 0.238 4.357 4.120 -0.000 0.000 0.272 528 V C 0.160 176.145 176.094 -0.181 0.000 1.043 528 V CA -0.399 61.818 62.300 -0.137 0.000 0.915 528 V CB 0.634 32.414 31.823 -0.072 0.000 0.988 528 V HN 0.567 nan 8.190 nan 0.000 0.466 529 I N 4.997 125.334 120.570 -0.388 0.000 2.498 529 I HA 0.556 4.725 4.170 -0.000 0.000 0.301 529 I C -0.148 175.764 176.117 -0.342 0.000 0.984 529 I CA -0.566 60.506 61.300 -0.380 0.000 1.204 529 I CB 1.322 38.948 38.000 -0.623 0.000 1.362 529 I HN 0.601 nan 8.210 nan 0.000 0.471 530 K N 7.510 127.797 120.400 -0.189 0.000 2.507 530 K HA 0.537 4.857 4.320 -0.000 0.000 0.251 530 K C -1.878 174.554 176.600 -0.280 0.000 0.943 530 K CA -0.612 55.530 56.287 -0.242 0.000 0.794 530 K CB 1.481 33.849 32.500 -0.220 0.000 1.188 530 K HN 0.578 nan 8.250 nan 0.000 0.428 531 L N 4.773 125.764 121.223 -0.386 0.000 2.317 531 L HA 0.575 4.915 4.340 -0.000 0.000 0.281 531 L C -0.804 175.801 176.870 -0.441 0.000 1.024 531 L CA -0.911 53.675 54.840 -0.423 0.000 0.810 531 L CB 0.914 42.712 42.059 -0.436 0.000 1.240 531 L HN 0.529 nan 8.230 nan 0.000 0.427 532 F N 0.171 120.160 119.950 0.066 0.000 2.538 532 F HA 0.321 4.848 4.527 -0.000 0.000 0.325 532 F C 1.238 177.175 175.800 0.228 0.000 1.066 532 F CA -0.556 57.523 58.000 0.132 0.000 0.946 532 F CB 1.642 40.705 39.000 0.105 0.000 1.199 532 F HN 0.457 nan 8.300 nan 0.000 0.473 533 Q N 0.274 120.248 119.800 0.291 0.000 2.291 533 Q HA -0.156 4.184 4.340 -0.000 0.000 0.205 533 Q C 0.885 176.973 176.000 0.146 0.000 0.970 533 Q CA 1.414 57.321 55.803 0.174 0.000 0.876 533 Q CB -0.156 28.645 28.738 0.103 0.000 0.935 533 Q HN 0.667 nan 8.270 nan 0.000 0.455 534 D N -1.581 118.922 120.400 0.172 0.000 2.349 534 D HA 0.036 4.676 4.640 -0.000 0.000 0.224 534 D C 1.092 177.449 176.300 0.095 0.000 1.029 534 D CA 0.837 54.894 54.000 0.095 0.000 0.879 534 D CB 0.171 41.004 40.800 0.055 0.000 0.906 534 D HN 0.243 nan 8.370 nan 0.000 0.528 535 G N -0.284 108.616 108.800 0.168 0.000 2.195 535 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.224 535 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.224 535 G C 0.473 175.571 174.900 0.329 0.000 0.990 535 G CA 0.214 45.345 45.100 0.051 0.000 0.639 535 G HN 0.769 nan 8.290 nan 0.000 0.514 536 T N -0.488 114.305 114.554 0.398 0.000 2.918 536 T HA 0.809 5.158 4.350 -0.000 0.000 0.283 536 T C -0.215 174.898 174.700 0.689 0.000 1.001 536 T CA 0.024 62.353 62.100 0.382 0.000 1.041 536 T CB 1.882 70.782 68.868 0.054 0.000 1.028 536 T HN 1.543 nan 8.240 nan 0.000 0.511 537 F N -1.626 118.496 119.950 0.286 0.000 2.654 537 F HA 0.731 5.258 4.527 -0.000 0.000 0.308 537 F C -0.544 175.365 175.800 0.182 0.000 1.108 537 F CA -1.179 56.975 58.000 0.257 0.000 0.957 537 F CB 1.040 40.125 39.000 0.143 0.000 1.309 537 F HN 0.898 nan 8.300 nan 0.000 0.446 538 T N 0.216 114.925 114.554 0.257 0.000 2.924 538 T HA 0.806 5.156 4.350 -0.000 0.000 0.291 538 T C -1.145 173.652 174.700 0.162 0.000 1.045 538 T CA -0.770 61.405 62.100 0.125 0.000 1.015 538 T CB 2.042 70.996 68.868 0.145 0.000 1.103 538 T HN 0.677 nan 8.240 nan 0.000 0.496 539 I N 2.228 122.905 120.570 0.178 0.000 2.411 539 I HA 0.312 4.482 4.170 -0.000 0.000 0.284 539 I C -0.233 175.965 176.117 0.134 0.000 1.012 539 I CA -0.039 61.354 61.300 0.155 0.000 1.119 539 I CB 0.822 38.943 38.000 0.202 0.000 1.261 539 I HN 0.866 nan 8.210 nan 0.000 0.448 540 D N 5.622 126.064 120.400 0.070 0.000 2.708 540 D HA -0.195 4.444 4.640 -0.000 0.000 0.236 540 D C 1.291 177.649 176.300 0.096 0.000 1.146 540 D CA 1.472 55.509 54.000 0.061 0.000 0.662 540 D CB -0.708 40.121 40.800 0.049 0.000 1.059 540 D HN 1.123 nan 8.370 nan 0.000 0.428 541 G N -0.317 108.544 108.800 0.101 0.000 2.253 541 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.251 541 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.251 541 G C 0.200 175.166 174.900 0.111 0.000 0.998 541 G CA 0.191 45.350 45.100 0.098 0.000 0.621 541 G HN 0.505 nan 8.290 nan 0.000 0.524 542 F N 3.085 123.035 119.950 -0.001 0.000 2.445 542 F HA 0.579 5.105 4.527 -0.000 0.000 0.359 542 F C 0.811 176.582 175.800 -0.050 0.000 1.101 542 F CA -0.736 57.251 58.000 -0.022 0.000 1.177 542 F CB 0.682 39.671 39.000 -0.018 0.000 1.110 542 F HN 0.106 nan 8.300 nan 0.000 0.522 543 K N 7.106 127.069 120.400 -0.729 0.000 2.416 543 K HA 0.194 4.514 4.320 -0.000 0.000 0.283 543 K C -0.765 175.372 176.600 -0.773 0.000 1.037 543 K CA -0.474 55.449 56.287 -0.607 0.000 0.995 543 K CB 0.060 32.269 32.500 -0.487 0.000 0.938 543 K HN 0.751 nan 8.250 nan 0.000 0.475 544 c N 6.213 124.471 118.600 -0.569 0.000 2.604 544 c HA 0.200 4.770 4.570 -0.000 0.000 0.396 544 c C -0.458 173.396 174.090 -0.394 0.000 1.282 544 c CA -1.390 54.667 56.329 -0.453 0.000 2.292 544 c CB 0.525 42.563 42.510 -0.787 0.000 2.633 544 c HN 0.782 nan 8.230 nan 0.000 0.620 545 P HA 0.087 nan 4.420 nan 0.000 0.226 545 P C 0.674 177.963 177.300 -0.018 0.000 1.161 545 P CA 0.830 63.886 63.100 -0.074 0.000 0.804 545 P CB 0.171 31.881 31.700 0.017 0.000 0.829 546 G N 0.308 109.146 108.800 0.063 0.000 2.599 546 G HA2 0.212 4.172 3.960 -0.000 0.000 0.264 546 G HA3 0.212 4.172 3.960 -0.000 0.000 0.264 546 G C 0.628 175.665 174.900 0.229 0.000 1.200 546 G CA -0.461 44.734 45.100 0.159 0.000 0.896 546 G HN 0.032 nan 8.290 nan 0.000 0.536 547 L N 0.252 121.585 121.223 0.184 0.000 2.056 547 L HA 0.120 4.460 4.340 -0.000 0.000 0.207 547 L C 1.275 178.308 176.870 0.271 0.000 1.078 547 L CA 1.650 56.596 54.840 0.176 0.000 0.749 547 L CB -0.257 41.852 42.059 0.083 0.000 0.901 547 L HN 0.468 nan 8.230 nan 0.000 0.433 548 V N -4.591 115.463 119.914 0.232 0.000 3.040 548 V HA 0.353 4.473 4.120 -0.000 0.000 0.312 548 V C -0.539 175.558 176.094 0.006 0.000 1.115 548 V CA -1.322 61.033 62.300 0.091 0.000 0.998 548 V CB 1.059 32.887 31.823 0.008 0.000 1.042 548 V HN 0.114 nan 8.190 nan 0.000 0.433 549 Y N 2.883 122.883 120.300 -0.500 0.000 2.632 549 Y HA 0.438 4.988 4.550 -0.000 0.000 0.329 549 Y C 1.257 177.095 175.900 -0.103 0.000 1.174 549 Y CA 1.143 58.965 58.100 -0.462 0.000 1.469 549 Y CB 1.202 39.327 38.460 -0.559 0.000 1.242 549 Y HN 1.019 nan 8.280 nan 0.000 0.540 550 T N 2.100 116.325 114.554 -0.549 0.000 3.275 550 T HA 0.567 4.917 4.350 -0.000 0.000 0.298 550 T C 0.165 174.523 174.700 -0.570 0.000 0.988 550 T CA 0.028 61.885 62.100 -0.405 0.000 0.936 550 T CB -0.574 68.210 68.868 -0.141 0.000 1.159 550 T HN 1.404 nan 8.240 nan 0.000 0.519 551 G N 0.797 108.864 108.800 -1.222 0.000 2.525 551 G HA2 0.092 4.052 3.960 -0.000 0.000 0.685 551 G HA3 0.092 4.052 3.960 -0.000 0.000 0.685 551 G C 0.398 175.133 174.900 -0.275 0.000 1.285 551 G CA -0.111 44.598 45.100 -0.652 0.000 0.849 551 G HN 1.036 nan 8.290 nan 0.000 0.653 552 V N -1.258 118.666 119.914 0.017 0.000 2.392 552 V HA -0.060 4.060 4.120 -0.000 0.000 0.249 552 V C 2.129 178.259 176.094 0.059 0.000 1.059 552 V CA 2.805 65.179 62.300 0.123 0.000 1.051 552 V CB -0.624 31.274 31.823 0.125 0.000 0.658 552 V HN 0.888 nan 8.190 nan 0.000 0.455 553 E N 0.945 121.158 120.200 0.021 0.000 2.160 553 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 553 E C 1.639 178.246 176.600 0.012 0.000 0.991 553 E CA 1.440 57.847 56.400 0.012 0.000 0.810 553 E CB -0.099 29.606 29.700 0.008 0.000 0.742 553 E HN 0.725 nan 8.360 nan 0.000 0.466 554 N N -0.300 118.407 118.700 0.010 0.000 2.398 554 N HA -0.045 4.695 4.740 -0.000 0.000 0.188 554 N C 0.019 175.582 175.510 0.087 0.000 1.122 554 N CA 0.204 53.273 53.050 0.033 0.000 0.866 554 N CB 0.166 38.660 38.487 0.011 0.000 0.970 554 N HN 0.048 nan 8.380 nan 0.000 0.462 555 c N 1.814 120.484 118.600 0.117 0.000 2.328 555 c HA 0.590 5.160 4.570 -0.000 0.000 0.446 555 c C 0.325 174.499 174.090 0.141 0.000 1.090 555 c CA -0.367 56.080 56.329 0.197 0.000 1.510 555 c CB -1.918 40.760 42.510 0.280 0.000 1.543 555 c HN 0.015 nan 8.230 nan 0.000 0.533 556 V N 0.000 119.986 119.914 0.121 0.000 2.409 556 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 556 V CA 0.000 62.248 62.300 -0.087 0.000 1.235 556 V CB 0.000 31.762 31.823 -0.102 0.000 1.184 556 V HN 0.000 nan 8.190 nan 0.000 0.556