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 2i56_1_C DATA FIRST_RESID 3 DATA SEQUENCE EFRIAQDVVA RENDRRASAL KEDYEALGAN LARRGVDIEA VTAKVEKFFV DATA SEQUENCE AVPSWGVGTG GTRFARFPGT GEPRGIFDKL DDCAVIQQLT RATPNVSLHI DATA SEQUENCE PWDKADPKEL KARGDALGLG FDAMNSNTFS DAPGQAHSYK YGSLSHTNAA DATA SEQUENCE TRAQAVEHNL ECIEIGKAIG SKALTVWIGD GSNFPGQSNF TRAFERYLSA DATA SEQUENCE MAEIYKGLPD DWKLFSEHKM YEPAFYSTVV QDWGTNYLIA QTLGPKAQCL DATA SEQUENCE VDLGHHAPNT NIEMIVARLI QFGKLGGFHF NDSKYGDDDL DAGAIEPYRL DATA SEQUENCE FLVFNELVDA EARGVKGFHP AHMIDQSHNV TDPIESLINS ANEIRRAYAQ DATA SEQUENCE ALLVDRAALS GYQEDNDALM ATETLKRAYR TDVEPILAEA RRRTGGAVDP DATA SEQUENCE VATYRASGYR ARVAAERPAS VAGGGGII 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.266 176.600 -0.557 0.000 1.382 3 E CA 0.000 56.196 56.400 -0.340 0.000 0.976 3 E CB 0.000 29.613 29.700 -0.145 0.000 0.812 4 F N 2.383 122.344 119.950 0.018 0.000 2.532 4 F HA 0.337 4.864 4.527 -0.000 0.000 0.365 4 F C 1.331 177.150 175.800 0.033 0.000 1.112 4 F CA -0.723 57.286 58.000 0.014 0.000 1.082 4 F CB 0.798 39.804 39.000 0.010 0.000 1.319 4 F HN 0.270 nan 8.300 nan 0.000 0.457 5 R N 1.244 121.846 120.500 0.170 0.000 2.133 5 R HA -0.082 4.258 4.340 -0.000 0.000 0.247 5 R C 0.407 176.810 176.300 0.171 0.000 1.151 5 R CA 1.177 57.373 56.100 0.160 0.000 0.971 5 R CB 0.007 30.333 30.300 0.044 0.000 0.866 5 R HN 0.287 nan 8.270 nan 0.000 0.447 6 I N 1.019 121.666 120.570 0.129 0.000 2.362 6 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 6 I C 0.195 176.358 176.117 0.077 0.000 0.994 6 I CA -1.525 59.830 61.300 0.091 0.000 1.158 6 I CB 1.040 39.061 38.000 0.035 0.000 1.315 6 I HN -0.055 nan 8.210 nan 0.000 0.451 7 A N 6.151 129.005 122.820 0.058 0.000 2.580 7 A HA -0.036 4.284 4.320 -0.000 0.000 0.244 7 A C 1.323 178.866 177.584 -0.068 0.000 1.045 7 A CA 0.294 52.336 52.037 0.009 0.000 0.761 7 A CB 0.004 19.010 19.000 0.010 0.000 0.962 7 A HN 0.832 nan 8.150 nan 0.000 0.512 8 Q N 1.119 120.819 119.800 -0.166 0.000 2.181 8 Q HA -0.246 4.094 4.340 -0.000 0.000 0.205 8 Q C 1.394 177.311 176.000 -0.138 0.000 0.980 8 Q CA 1.962 57.620 55.803 -0.242 0.000 0.862 8 Q CB -0.131 28.372 28.738 -0.393 0.000 0.905 8 Q HN 1.063 nan 8.270 nan 0.000 0.429 9 D N -0.657 119.686 120.400 -0.094 0.000 2.178 9 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 9 D C 1.670 177.940 176.300 -0.049 0.000 0.980 9 D CA 0.978 54.940 54.000 -0.063 0.000 0.842 9 D CB -0.310 40.463 40.800 -0.044 0.000 0.948 9 D HN 0.028 nan 8.370 nan 0.000 0.472 10 V N 0.452 120.341 119.914 -0.042 0.000 2.379 10 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 10 V C 2.692 178.767 176.094 -0.031 0.000 1.044 10 V CA 1.207 63.489 62.300 -0.029 0.000 1.036 10 V CB -0.350 31.463 31.823 -0.017 0.000 0.664 10 V HN 0.200 nan 8.190 nan 0.000 0.453 11 V N 0.557 120.445 119.914 -0.043 0.000 2.332 11 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 11 V C 2.723 178.790 176.094 -0.045 0.000 1.055 11 V CA 2.130 64.405 62.300 -0.042 0.000 1.038 11 V CB -1.194 30.593 31.823 -0.060 0.000 0.651 11 V HN 0.553 nan 8.190 nan 0.000 0.450 12 A N -0.282 122.504 122.820 -0.057 0.000 1.873 12 A HA -0.225 4.095 4.320 -0.000 0.000 0.215 12 A C 2.427 179.989 177.584 -0.038 0.000 1.186 12 A CA 1.900 53.906 52.037 -0.052 0.000 0.616 12 A CB -0.568 18.396 19.000 -0.060 0.000 0.823 12 A HN 0.444 nan 8.150 nan 0.000 0.442 13 R N -0.460 120.020 120.500 -0.034 0.000 2.080 13 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 13 R C 1.799 178.086 176.300 -0.021 0.000 1.137 13 R CA 1.747 57.831 56.100 -0.026 0.000 0.943 13 R CB -0.225 30.061 30.300 -0.023 0.000 0.846 13 R HN 0.432 nan 8.270 nan 0.000 0.431 14 E N 0.087 120.276 120.200 -0.019 0.000 2.338 14 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 14 E C 1.401 177.992 176.600 -0.015 0.000 1.007 14 E CA 0.868 57.260 56.400 -0.013 0.000 0.849 14 E CB -0.268 29.427 29.700 -0.007 0.000 0.774 14 E HN 0.513 nan 8.360 nan 0.000 0.506 15 N N 0.481 119.168 118.700 -0.021 0.000 2.290 15 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 15 N C 1.173 176.668 175.510 -0.024 0.000 1.016 15 N CA 0.519 53.554 53.050 -0.024 0.000 0.871 15 N CB 0.211 38.679 38.487 -0.031 0.000 0.987 15 N HN 0.052 nan 8.380 nan 0.000 0.431 16 D N 0.908 121.294 120.400 -0.025 0.000 2.178 16 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 16 D C 1.756 178.045 176.300 -0.018 0.000 0.974 16 D CA 0.699 54.686 54.000 -0.023 0.000 0.841 16 D CB -0.084 40.702 40.800 -0.023 0.000 0.953 16 D HN 0.212 nan 8.370 nan 0.000 0.478 17 R N 0.788 121.278 120.500 -0.016 0.000 2.241 17 R HA -0.030 4.310 4.340 -0.000 0.000 0.224 17 R C 1.401 177.695 176.300 -0.011 0.000 1.101 17 R CA 0.910 57.003 56.100 -0.012 0.000 0.995 17 R CB 0.223 30.517 30.300 -0.011 0.000 0.870 17 R HN 0.071 nan 8.270 nan 0.000 0.463 18 R N -1.565 118.927 120.500 -0.012 0.000 2.476 18 R HA 0.256 4.596 4.340 -0.000 0.000 0.276 18 R C 1.689 177.981 176.300 -0.013 0.000 0.941 18 R CA 0.402 56.495 56.100 -0.011 0.000 1.088 18 R CB 0.655 30.949 30.300 -0.009 0.000 1.216 18 R HN 0.078 nan 8.270 nan 0.000 0.533 19 A N 1.064 123.874 122.820 -0.018 0.000 1.883 19 A HA -0.232 4.087 4.320 -0.000 0.000 0.217 19 A C 2.141 179.715 177.584 -0.016 0.000 1.186 19 A CA 2.180 54.203 52.037 -0.023 0.000 0.624 19 A CB -0.580 18.404 19.000 -0.027 0.000 0.822 19 A HN 0.259 nan 8.150 nan 0.000 0.444 20 S N -0.577 115.117 115.700 -0.011 0.000 2.356 20 S HA -0.068 4.402 4.470 -0.000 0.000 0.223 20 S C 2.201 176.801 174.600 -0.000 0.000 1.032 20 S CA 1.710 59.906 58.200 -0.006 0.000 1.005 20 S CB -0.520 62.676 63.200 -0.006 0.000 0.867 20 S HN 0.865 nan 8.310 nan 0.000 0.449 21 A N 1.238 124.058 122.820 -0.001 0.000 1.902 21 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 21 A C 2.153 179.745 177.584 0.013 0.000 1.181 21 A CA 1.655 53.694 52.037 0.003 0.000 0.623 21 A CB -0.880 18.120 19.000 -0.000 0.000 0.818 21 A HN 0.570 nan 8.150 nan 0.000 0.443 22 L N 0.045 121.274 121.223 0.011 0.000 2.046 22 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 22 L C 2.263 179.165 176.870 0.053 0.000 1.077 22 L CA 2.650 57.505 54.840 0.026 0.000 0.747 22 L CB -0.618 41.441 42.059 -0.001 0.000 0.896 22 L HN 0.462 nan 8.230 nan 0.000 0.432 23 K N -0.871 119.545 120.400 0.027 0.000 2.063 23 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 23 K C 1.955 178.599 176.600 0.074 0.000 1.048 23 K CA 1.541 57.854 56.287 0.044 0.000 0.928 23 K CB -0.038 32.469 32.500 0.012 0.000 0.713 23 K HN 0.337 nan 8.250 nan 0.000 0.442 24 E N 1.185 121.411 120.200 0.044 0.000 2.051 24 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 24 E C 1.808 178.431 176.600 0.038 0.000 0.991 24 E CA 1.234 57.654 56.400 0.033 0.000 0.799 24 E CB -0.288 29.420 29.700 0.015 0.000 0.748 24 E HN 0.425 nan 8.360 nan 0.000 0.449 25 D N -0.160 120.266 120.400 0.044 0.000 2.117 25 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 25 D C 1.971 178.300 176.300 0.048 0.000 0.982 25 D CA 0.759 54.778 54.000 0.031 0.000 0.828 25 D CB -0.468 40.349 40.800 0.028 0.000 0.967 25 D HN 0.190 nan 8.370 nan 0.000 0.464 26 Y N 2.058 122.342 120.300 -0.027 0.000 2.128 26 Y HA -0.198 4.351 4.550 -0.000 0.000 0.284 26 Y C 2.205 178.090 175.900 -0.025 0.000 1.154 26 Y CA 1.771 59.855 58.100 -0.026 0.000 1.149 26 Y CB -0.015 38.432 38.460 -0.022 0.000 0.976 26 Y HN -0.025 nan 8.280 nan 0.000 0.505 27 E N -0.328 119.951 120.200 0.132 0.000 2.110 27 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 27 E C 2.329 178.908 176.600 -0.034 0.000 0.988 27 E CA 0.850 57.279 56.400 0.048 0.000 0.804 27 E CB -0.309 29.434 29.700 0.071 0.000 0.745 27 E HN 0.576 nan 8.360 nan 0.000 0.458 28 A N 1.429 124.230 122.820 -0.032 0.000 1.873 28 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 28 A C 2.188 179.720 177.584 -0.088 0.000 1.186 28 A CA 1.033 53.041 52.037 -0.049 0.000 0.616 28 A CB -0.568 18.411 19.000 -0.036 0.000 0.823 28 A HN 0.225 nan 8.150 nan 0.000 0.442 29 L N 0.333 121.480 121.223 -0.126 0.000 2.046 29 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 29 L C 2.378 179.127 176.870 -0.201 0.000 1.077 29 L CA 2.411 57.150 54.840 -0.168 0.000 0.747 29 L CB -1.178 40.754 42.059 -0.213 0.000 0.896 29 L HN 0.307 nan 8.230 nan 0.000 0.432 30 G N -1.031 107.608 108.800 -0.267 0.000 2.440 30 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 30 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 30 G C 1.595 176.419 174.900 -0.126 0.000 1.154 30 G CA 0.948 45.907 45.100 -0.234 0.000 0.767 30 G HN 0.666 nan 8.290 nan 0.000 0.552 31 A N 1.057 123.821 122.820 -0.094 0.000 1.898 31 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 31 A C 2.230 179.777 177.584 -0.062 0.000 1.181 31 A CA 1.884 53.885 52.037 -0.061 0.000 0.620 31 A CB -0.615 18.358 19.000 -0.045 0.000 0.819 31 A HN 0.455 nan 8.150 nan 0.000 0.442 32 N N 0.455 119.111 118.700 -0.073 0.000 2.069 32 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 32 N C 1.788 177.258 175.510 -0.067 0.000 1.031 32 N CA 1.784 54.794 53.050 -0.067 0.000 0.852 32 N CB -0.301 38.140 38.487 -0.075 0.000 1.018 32 N HN 0.497 nan 8.380 nan 0.000 0.423 33 L N 0.816 121.988 121.223 -0.086 0.000 2.083 33 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 33 L C 2.750 179.584 176.870 -0.060 0.000 1.083 33 L CA 1.215 56.008 54.840 -0.079 0.000 0.752 33 L CB -0.562 41.435 42.059 -0.104 0.000 0.899 33 L HN 0.207 nan 8.230 nan 0.000 0.433 34 A N 0.170 122.955 122.820 -0.059 0.000 1.902 34 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 34 A C 2.330 179.894 177.584 -0.033 0.000 1.181 34 A CA 1.421 53.433 52.037 -0.042 0.000 0.623 34 A CB -0.479 18.498 19.000 -0.038 0.000 0.818 34 A HN 0.337 nan 8.150 nan 0.000 0.443 35 R N -0.936 119.543 120.500 -0.034 0.000 2.285 35 R HA 0.020 4.360 4.340 -0.000 0.000 0.213 35 R C 1.408 177.693 176.300 -0.024 0.000 1.068 35 R CA 0.795 56.879 56.100 -0.027 0.000 1.004 35 R CB -0.115 30.168 30.300 -0.028 0.000 0.873 35 R HN 0.408 nan 8.270 nan 0.000 0.467 36 R N -0.360 120.123 120.500 -0.029 0.000 2.427 36 R HA 0.095 4.435 4.340 -0.000 0.000 0.262 36 R C 0.547 176.835 176.300 -0.020 0.000 0.943 36 R CA 0.437 56.523 56.100 -0.023 0.000 1.081 36 R CB 0.951 31.233 30.300 -0.029 0.000 1.166 36 R HN 0.302 nan 8.270 nan 0.000 0.534 37 G N 1.134 109.921 108.800 -0.021 0.000 2.160 37 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.251 37 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.251 37 G C -0.033 174.854 174.900 -0.022 0.000 1.008 37 G CA 0.233 45.322 45.100 -0.018 0.000 0.724 37 G HN 0.160 nan 8.290 nan 0.000 0.514 38 V N 0.183 120.079 119.914 -0.030 0.000 2.555 38 V HA 0.561 4.681 4.120 -0.000 0.000 0.302 38 V C -0.267 175.802 176.094 -0.041 0.000 1.038 38 V CA -0.582 61.697 62.300 -0.036 0.000 0.887 38 V CB 2.031 33.827 31.823 -0.045 0.000 0.991 38 V HN 0.324 nan 8.190 nan 0.000 0.434 39 D N 3.317 123.697 120.400 -0.033 0.000 2.428 39 D HA 0.221 4.861 4.640 -0.000 0.000 0.221 39 D C 1.024 177.301 176.300 -0.037 0.000 1.123 39 D CA -0.232 53.751 54.000 -0.029 0.000 0.869 39 D CB 0.940 41.733 40.800 -0.011 0.000 1.032 39 D HN 0.521 nan 8.370 nan 0.000 0.506 40 I N 2.854 123.382 120.570 -0.069 0.000 2.236 40 I HA -0.304 3.866 4.170 -0.000 0.000 0.249 40 I C 1.737 177.847 176.117 -0.012 0.000 1.102 40 I CA 1.466 62.704 61.300 -0.103 0.000 1.365 40 I CB 0.267 38.112 38.000 -0.259 0.000 1.051 40 I HN 0.434 nan 8.210 nan 0.000 0.420 41 E N 1.235 121.456 120.200 0.036 0.000 2.110 41 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 41 E C 1.976 178.608 176.600 0.053 0.000 0.988 41 E CA 1.646 58.096 56.400 0.084 0.000 0.804 41 E CB -0.272 29.473 29.700 0.075 0.000 0.745 41 E HN 0.574 nan 8.360 nan 0.000 0.458 42 A N -0.028 122.807 122.820 0.025 0.000 1.930 42 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 42 A C 2.446 180.037 177.584 0.011 0.000 1.175 42 A CA 1.555 53.603 52.037 0.018 0.000 0.627 42 A CB -0.627 18.376 19.000 0.005 0.000 0.815 42 A HN 0.197 nan 8.150 nan 0.000 0.443 43 V N -0.406 119.503 119.914 -0.009 0.000 2.270 43 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 43 V C 2.711 178.809 176.094 0.006 0.000 1.043 43 V CA 2.434 64.714 62.300 -0.034 0.000 1.014 43 V CB -1.424 30.358 31.823 -0.067 0.000 0.645 43 V HN 0.572 nan 8.190 nan 0.000 0.447 44 T N 0.650 115.233 114.554 0.048 0.000 2.759 44 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 44 T C 2.050 176.794 174.700 0.073 0.000 1.042 44 T CA 1.674 63.828 62.100 0.089 0.000 1.140 44 T CB -0.473 68.497 68.868 0.170 0.000 0.864 44 T HN 0.572 nan 8.240 nan 0.000 0.455 45 A N 1.668 124.527 122.820 0.065 0.000 1.902 45 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 45 A C 2.281 179.907 177.584 0.070 0.000 1.181 45 A CA 1.575 53.648 52.037 0.061 0.000 0.623 45 A CB -0.382 18.650 19.000 0.053 0.000 0.818 45 A HN 0.472 nan 8.150 nan 0.000 0.443 46 K N -0.558 119.894 120.400 0.086 0.000 2.062 46 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 46 K C 1.844 178.581 176.600 0.228 0.000 1.051 46 K CA 1.144 57.524 56.287 0.155 0.000 0.941 46 K CB -0.309 32.291 32.500 0.167 0.000 0.719 46 K HN 0.279 nan 8.250 nan 0.000 0.440 47 V N 2.359 122.386 119.914 0.190 0.000 2.332 47 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 47 V C 1.869 178.017 176.094 0.090 0.000 1.055 47 V CA 1.852 64.267 62.300 0.192 0.000 1.038 47 V CB -0.499 31.380 31.823 0.093 0.000 0.651 47 V HN 0.354 nan 8.190 nan 0.000 0.450 48 E N -0.042 120.191 120.200 0.055 0.000 2.265 48 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 48 E C 1.778 178.326 176.600 -0.086 0.000 0.996 48 E CA 0.900 57.319 56.400 0.031 0.000 0.832 48 E CB -0.119 29.614 29.700 0.056 0.000 0.756 48 E HN 0.604 nan 8.360 nan 0.000 0.491 49 K N 0.077 120.365 120.400 -0.185 0.000 2.387 49 K HA 0.097 4.417 4.320 -0.000 0.000 0.198 49 K C -0.132 175.880 176.600 -0.981 0.000 1.022 49 K CA -0.299 55.684 56.287 -0.506 0.000 1.128 49 K CB 0.297 32.698 32.500 -0.165 0.000 0.853 49 K HN -0.024 nan 8.250 nan 0.000 0.523 50 F N 1.531 120.991 119.950 -0.816 0.000 2.411 50 F HA 0.323 4.849 4.527 -0.000 0.000 0.355 50 F C -0.690 174.694 175.800 -0.695 0.000 1.117 50 F CA -0.958 56.596 58.000 -0.742 0.000 1.139 50 F CB 0.375 38.956 39.000 -0.698 0.000 1.120 50 F HN -0.225 nan 8.300 nan 0.000 0.493 51 F N 5.105 124.652 119.950 -0.672 0.000 2.561 51 F HA 0.688 5.215 4.527 -0.000 0.000 0.321 51 F C -0.634 174.893 175.800 -0.454 0.000 1.065 51 F CA -1.453 56.313 58.000 -0.391 0.000 0.934 51 F CB 1.641 40.502 39.000 -0.232 0.000 1.215 51 F HN 0.226 nan 8.300 nan 0.000 0.471 52 V N 1.911 121.848 119.914 0.039 0.000 2.623 52 V HA 0.844 4.964 4.120 -0.000 0.000 0.304 52 V C -0.668 175.470 176.094 0.073 0.000 1.054 52 V CA -0.760 61.592 62.300 0.086 0.000 0.882 52 V CB 1.406 33.323 31.823 0.157 0.000 1.002 52 V HN 1.064 nan 8.190 nan 0.000 0.424 53 A N 5.785 128.648 122.820 0.072 0.000 2.407 53 A HA 0.651 4.971 4.320 -0.000 0.000 0.248 53 A C -0.004 177.574 177.584 -0.010 0.000 1.082 53 A CA 0.265 52.313 52.037 0.017 0.000 0.785 53 A CB 0.718 19.737 19.000 0.031 0.000 1.020 53 A HN 1.867 nan 8.150 nan 0.000 0.489 54 V N 0.190 120.065 119.914 -0.064 0.000 2.532 54 V HA 0.701 4.821 4.120 -0.000 0.000 0.295 54 V C -2.577 173.386 176.094 -0.218 0.000 1.041 54 V CA -2.456 59.771 62.300 -0.120 0.000 0.926 54 V CB 1.493 33.250 31.823 -0.110 0.000 0.992 54 V HN 0.777 nan 8.190 nan 0.000 0.457 55 P HA 0.211 nan 4.420 nan 0.000 0.287 55 P C 0.858 177.773 177.300 -0.642 0.000 1.281 55 P CA -0.019 62.526 63.100 -0.924 0.000 0.781 55 P CB 1.785 32.485 31.700 -1.667 0.000 0.903 56 S N 3.089 118.619 115.700 -0.284 0.000 2.383 56 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 56 S C 1.486 176.142 174.600 0.094 0.000 1.030 56 S CA 0.855 59.076 58.200 0.036 0.000 1.002 56 S CB -1.482 61.879 63.200 0.268 0.000 0.829 56 S HN 0.697 nan 8.310 nan 0.000 0.467 57 W N 1.729 123.151 121.300 0.204 0.000 3.077 57 W HA 0.566 5.226 4.660 -0.000 0.000 0.245 57 W C 1.606 178.175 176.519 0.083 0.000 1.316 57 W CA -0.272 57.147 57.345 0.123 0.000 1.537 57 W CB -0.643 28.950 29.460 0.221 0.000 1.131 57 W HN 0.222 nan 8.180 nan 0.000 0.695 58 G N 1.107 109.746 108.800 -0.269 0.000 2.986 58 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.213 58 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.213 58 G C 1.158 176.115 174.900 0.095 0.000 1.156 58 G CA 0.678 45.735 45.100 -0.072 0.000 0.763 58 G HN 0.402 nan 8.290 nan 0.000 0.547 59 V N -1.479 118.444 119.914 0.015 0.000 3.461 59 V HA 0.406 4.526 4.120 -0.000 0.000 0.267 59 V C 1.195 177.323 176.094 0.057 0.000 1.186 59 V CA 0.322 62.630 62.300 0.013 0.000 1.154 59 V CB -0.535 31.293 31.823 0.009 0.000 0.802 59 V HN 0.183 nan 8.190 nan 0.000 0.474 60 G N 0.000 108.848 108.800 0.081 0.000 2.437 60 G HA2 0.500 4.460 3.960 -0.000 0.000 0.319 60 G HA3 0.500 4.460 3.960 -0.000 0.000 0.319 60 G C -0.375 174.589 174.900 0.106 0.000 1.158 60 G CA -0.378 44.767 45.100 0.075 0.000 0.899 60 G HN 0.202 nan 8.290 nan 0.000 0.502 61 T N 0.537 115.146 114.554 0.093 0.000 2.870 61 T HA 0.466 4.816 4.350 -0.000 0.000 0.300 61 T C 0.967 175.720 174.700 0.088 0.000 0.989 61 T CA 0.462 62.630 62.100 0.114 0.000 1.139 61 T CB 1.174 70.107 68.868 0.109 0.000 0.920 61 T HN 0.710 nan 8.240 nan 0.000 0.537 62 G N 0.982 109.841 108.800 0.099 0.000 2.537 62 G HA2 0.747 4.707 3.960 -0.000 0.000 0.297 62 G HA3 0.747 4.707 3.960 -0.000 0.000 0.297 62 G C -0.075 174.865 174.900 0.067 0.000 1.310 62 G CA -0.385 44.753 45.100 0.063 0.000 1.027 62 G HN 0.984 nan 8.290 nan 0.000 0.505 63 G N -2.024 106.805 108.800 0.049 0.000 2.663 63 G HA2 0.704 4.664 3.960 -0.000 0.000 0.299 63 G HA3 0.704 4.664 3.960 -0.000 0.000 0.299 63 G C -0.496 174.439 174.900 0.058 0.000 1.372 63 G CA 0.378 45.509 45.100 0.051 0.000 0.781 63 G HN 1.151 nan 8.290 nan 0.000 0.491 64 T N -2.979 111.618 114.554 0.071 0.000 2.905 64 T HA 0.460 4.810 4.350 -0.000 0.000 0.283 64 T C 1.389 176.097 174.700 0.014 0.000 1.031 64 T CA -0.219 61.932 62.100 0.085 0.000 1.002 64 T CB 1.754 70.742 68.868 0.199 0.000 1.200 64 T HN 0.809 nan 8.240 nan 0.000 0.560 65 R N -0.586 119.867 120.500 -0.079 0.000 2.285 65 R HA 0.087 4.427 4.340 -0.000 0.000 0.213 65 R C 1.068 177.181 176.300 -0.310 0.000 1.068 65 R CA 1.106 57.074 56.100 -0.220 0.000 1.004 65 R CB -0.714 29.387 30.300 -0.333 0.000 0.873 65 R HN 0.503 nan 8.270 nan 0.000 0.467 66 F N 0.893 120.849 119.950 0.010 0.000 2.387 66 F HA 0.380 4.907 4.527 -0.000 0.000 0.294 66 F C 1.118 176.886 175.800 -0.053 0.000 1.093 66 F CA 0.598 58.597 58.000 -0.001 0.000 1.420 66 F CB 0.380 39.396 39.000 0.027 0.000 1.086 66 F HN 0.233 nan 8.300 nan 0.000 0.531 67 A N -0.457 122.395 122.820 0.053 0.000 2.489 67 A HA 0.630 4.950 4.320 -0.000 0.000 0.293 67 A C -1.246 176.157 177.584 -0.302 0.000 1.004 67 A CA -0.876 51.040 52.037 -0.203 0.000 0.626 67 A CB 0.903 19.665 19.000 -0.396 0.000 1.345 67 A HN 0.040 nan 8.150 nan 0.000 0.447 68 R N 0.088 120.300 120.500 -0.480 0.000 2.538 68 R HA 0.691 5.031 4.340 -0.000 0.000 0.292 68 R C -2.119 173.899 176.300 -0.471 0.000 1.008 68 R CA -0.474 55.435 56.100 -0.319 0.000 0.896 68 R CB 0.899 31.117 30.300 -0.137 0.000 1.187 68 R HN 0.583 nan 8.270 nan 0.000 0.440 69 F N 5.675 125.655 119.950 0.050 0.000 2.371 69 F HA 0.339 4.866 4.527 -0.000 0.000 0.343 69 F C -1.669 174.157 175.800 0.044 0.000 1.150 69 F CA -2.073 55.955 58.000 0.045 0.000 1.220 69 F CB 1.014 40.042 39.000 0.047 0.000 1.475 69 F HN 0.290 nan 8.300 nan 0.000 0.521 70 P HA 0.171 nan 4.420 nan 0.000 0.269 70 P C 0.385 177.755 177.300 0.117 0.000 1.215 70 P CA 0.124 63.290 63.100 0.110 0.000 0.780 70 P CB 1.427 33.166 31.700 0.065 0.000 0.898 71 G N 1.094 109.953 108.800 0.098 0.000 2.606 71 G HA2 0.532 4.492 3.960 -0.000 0.000 0.262 71 G HA3 0.532 4.492 3.960 -0.000 0.000 0.262 71 G C -0.359 174.582 174.900 0.068 0.000 1.394 71 G CA -0.363 44.789 45.100 0.087 0.000 1.044 71 G HN 0.669 nan 8.290 nan 0.000 0.553 72 T N -3.659 110.931 114.554 0.059 0.000 2.922 72 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 72 T C 1.049 175.773 174.700 0.040 0.000 1.005 72 T CA 0.636 62.761 62.100 0.042 0.000 1.061 72 T CB 1.187 70.073 68.868 0.030 0.000 1.007 72 T HN 2.174 nan 8.240 nan 0.000 0.502 73 G N 1.409 110.224 108.800 0.025 0.000 2.273 73 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.280 73 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.280 73 G C -0.109 174.816 174.900 0.040 0.000 1.047 73 G CA -0.241 44.869 45.100 0.017 0.000 0.869 73 G HN 0.874 nan 8.290 nan 0.000 0.502 74 E N 0.964 121.190 120.200 0.045 0.000 2.384 74 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 74 E C -1.656 174.974 176.600 0.051 0.000 1.012 74 E CA -1.421 55.010 56.400 0.051 0.000 0.901 74 E CB 0.805 30.531 29.700 0.043 0.000 0.967 74 E HN 0.359 nan 8.360 nan 0.000 0.435 75 P HA 0.070 nan 4.420 nan 0.000 0.268 75 P C 0.248 177.584 177.300 0.060 0.000 1.204 75 P CA 0.096 63.239 63.100 0.071 0.000 0.768 75 P CB 0.832 32.582 31.700 0.083 0.000 0.842 76 R N 1.731 122.274 120.500 0.071 0.000 2.090 76 R HA 0.151 4.491 4.340 -0.000 0.000 0.228 76 R C 1.407 177.752 176.300 0.075 0.000 1.110 76 R CA 1.504 57.645 56.100 0.067 0.000 0.973 76 R CB -0.095 30.252 30.300 0.078 0.000 0.869 76 R HN 0.697 nan 8.270 nan 0.000 0.440 77 G N -1.079 107.781 108.800 0.100 0.000 2.650 77 G HA2 0.139 4.099 3.960 -0.000 0.000 0.310 77 G HA3 0.139 4.099 3.960 -0.000 0.000 0.310 77 G C -0.141 174.807 174.900 0.079 0.000 1.270 77 G CA -0.633 44.524 45.100 0.096 0.000 0.810 77 G HN 0.002 nan 8.290 nan 0.000 0.493 78 I N -0.309 120.265 120.570 0.007 0.000 2.194 78 I HA -0.061 4.109 4.170 -0.000 0.000 0.246 78 I C 2.297 178.332 176.117 -0.136 0.000 1.093 78 I CA 1.780 63.022 61.300 -0.097 0.000 1.355 78 I CB -0.437 37.404 38.000 -0.265 0.000 1.046 78 I HN 0.380 nan 8.210 nan 0.000 0.413 79 F N 0.790 120.807 119.950 0.112 0.000 2.146 79 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 79 F C 2.378 178.235 175.800 0.095 0.000 1.096 79 F CA 1.635 59.696 58.000 0.101 0.000 1.275 79 F CB -1.009 38.039 39.000 0.081 0.000 1.008 79 F HN 0.119 nan 8.300 nan 0.000 0.480 80 D N 0.249 120.794 120.400 0.243 0.000 2.117 80 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 80 D C 2.123 178.514 176.300 0.151 0.000 0.982 80 D CA 1.069 55.176 54.000 0.177 0.000 0.828 80 D CB -0.298 40.585 40.800 0.137 0.000 0.967 80 D HN 0.245 nan 8.370 nan 0.000 0.464 81 K N 0.313 120.786 120.400 0.122 0.000 2.063 81 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 81 K C 2.292 178.945 176.600 0.089 0.000 1.048 81 K CA 0.634 56.980 56.287 0.098 0.000 0.928 81 K CB -0.134 32.419 32.500 0.090 0.000 0.713 81 K HN 0.167 nan 8.250 nan 0.000 0.442 82 L N 1.083 122.367 121.223 0.101 0.000 2.083 82 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 82 L C 1.849 178.770 176.870 0.085 0.000 1.083 82 L CA 1.031 55.924 54.840 0.089 0.000 0.752 82 L CB -0.490 41.646 42.059 0.128 0.000 0.899 82 L HN 0.190 nan 8.230 nan 0.000 0.433 83 D N 0.101 120.581 120.400 0.133 0.000 2.144 83 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 83 D C 1.739 178.125 176.300 0.143 0.000 0.984 83 D CA 1.194 55.283 54.000 0.148 0.000 0.834 83 D CB -0.127 40.792 40.800 0.199 0.000 0.955 83 D HN 0.313 nan 8.370 nan 0.000 0.465 84 D N -0.299 120.189 120.400 0.147 0.000 2.149 84 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 84 D C 2.167 178.459 176.300 -0.013 0.000 0.972 84 D CA 0.385 54.451 54.000 0.111 0.000 0.835 84 D CB -0.458 40.428 40.800 0.143 0.000 0.966 84 D HN 0.206 nan 8.370 nan 0.000 0.476 85 C N 1.161 120.455 119.300 -0.012 0.000 2.422 85 C HA 0.009 4.469 4.460 -0.000 0.000 0.279 85 C C 2.872 177.816 174.990 -0.077 0.000 1.305 85 C CA 0.591 59.575 59.018 -0.057 0.000 1.757 85 C CB -0.957 26.752 27.740 -0.052 0.000 1.962 85 C HN 0.349 nan 8.230 nan 0.000 0.499 86 A N 0.371 123.157 122.820 -0.057 0.000 1.940 86 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 86 A C 2.268 179.803 177.584 -0.082 0.000 1.176 86 A CA 2.109 54.106 52.037 -0.067 0.000 0.631 86 A CB -0.646 18.332 19.000 -0.038 0.000 0.814 86 A HN 0.385 nan 8.150 nan 0.000 0.446 87 V N 0.265 120.101 119.914 -0.129 0.000 2.295 87 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 87 V C 2.419 178.434 176.094 -0.131 0.000 1.049 87 V CA 2.044 64.234 62.300 -0.183 0.000 1.024 87 V CB -0.684 30.913 31.823 -0.378 0.000 0.648 87 V HN 0.596 nan 8.190 nan 0.000 0.447 88 I N -0.026 120.460 120.570 -0.140 0.000 2.163 88 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 88 I C 2.655 178.723 176.117 -0.082 0.000 1.085 88 I CA 1.915 63.139 61.300 -0.126 0.000 1.347 88 I CB -0.458 37.465 38.000 -0.130 0.000 1.044 88 I HN 0.359 nan 8.210 nan 0.000 0.408 89 Q N 1.227 120.980 119.800 -0.079 0.000 2.046 89 Q HA -0.263 4.077 4.340 -0.000 0.000 0.200 89 Q C 2.145 178.125 176.000 -0.034 0.000 0.975 89 Q CA 1.826 57.590 55.803 -0.065 0.000 0.836 89 Q CB -0.439 28.240 28.738 -0.098 0.000 0.896 89 Q HN 0.479 nan 8.270 nan 0.000 0.428 90 Q N -0.627 119.159 119.800 -0.023 0.000 2.096 90 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 90 Q C 1.969 177.981 176.000 0.020 0.000 0.982 90 Q CA 1.688 57.506 55.803 0.026 0.000 0.850 90 Q CB -0.068 28.706 28.738 0.061 0.000 0.901 90 Q HN 0.520 nan 8.270 nan 0.000 0.422 91 L N -0.482 120.739 121.223 -0.004 0.000 2.162 91 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 91 L C 2.553 179.422 176.870 -0.001 0.000 1.086 91 L CA 1.495 56.334 54.840 -0.002 0.000 0.778 91 L CB -0.300 41.753 42.059 -0.010 0.000 0.928 91 L HN 0.378 nan 8.230 nan 0.000 0.446 92 T N -5.055 109.495 114.554 -0.006 0.000 3.023 92 T HA 0.057 4.407 4.350 -0.000 0.000 0.249 92 T C 1.136 175.863 174.700 0.045 0.000 1.050 92 T CA -0.340 61.766 62.100 0.010 0.000 1.088 92 T CB 0.231 69.098 68.868 -0.002 0.000 0.946 92 T HN 0.100 nan 8.240 nan 0.000 0.480 93 R N 0.402 120.927 120.500 0.043 0.000 3.875 93 R HA -0.155 4.185 4.340 -0.000 0.000 0.321 93 R C 0.869 177.278 176.300 0.182 0.000 1.196 93 R CA 0.873 57.020 56.100 0.079 0.000 0.868 93 R CB -2.423 27.934 30.300 0.096 0.000 1.333 93 R HN 0.714 nan 8.270 nan 0.000 0.522 94 A N -0.335 122.576 122.820 0.152 0.000 2.431 94 A HA 0.163 4.483 4.320 -0.000 0.000 0.239 94 A C 0.926 178.627 177.584 0.194 0.000 1.230 94 A CA 0.864 53.057 52.037 0.260 0.000 0.928 94 A CB 0.473 19.572 19.000 0.163 0.000 1.006 94 A HN 0.299 nan 8.150 nan 0.000 0.520 95 T N -2.588 111.990 114.554 0.041 0.000 3.630 95 T HA 0.326 4.676 4.350 -0.000 0.000 0.238 95 T C -1.875 172.739 174.700 -0.143 0.000 1.195 95 T CA -0.969 61.109 62.100 -0.036 0.000 1.433 95 T CB 0.819 69.662 68.868 -0.041 0.000 0.940 95 T HN 0.103 nan 8.240 nan 0.000 0.641 96 P HA 0.001 nan 4.420 nan 0.000 0.225 96 P C -0.249 176.876 177.300 -0.291 0.000 1.148 96 P CA 0.543 63.436 63.100 -0.346 0.000 0.779 96 P CB 0.195 31.532 31.700 -0.606 0.000 0.780 97 N N -0.331 118.231 118.700 -0.230 0.000 2.269 97 N HA 0.318 5.057 4.740 -0.000 0.000 0.304 97 N C -0.886 174.542 175.510 -0.137 0.000 1.072 97 N CA -0.625 52.305 53.050 -0.201 0.000 0.802 97 N CB 2.780 41.180 38.487 -0.145 0.000 1.348 97 N HN -0.253 nan 8.380 nan 0.000 0.484 98 V N 0.509 120.340 119.914 -0.139 0.000 2.513 98 V HA 0.360 4.480 4.120 -0.000 0.000 0.299 98 V C 0.308 176.473 176.094 0.118 0.000 1.035 98 V CA -0.698 61.585 62.300 -0.028 0.000 0.889 98 V CB 1.768 33.581 31.823 -0.017 0.000 0.988 98 V HN 0.646 nan 8.190 nan 0.000 0.440 99 S N 4.379 120.140 115.700 0.102 0.000 2.422 99 S HA 0.636 5.106 4.470 -0.000 0.000 0.298 99 S C -0.591 174.208 174.600 0.331 0.000 1.118 99 S CA -0.512 57.811 58.200 0.204 0.000 1.083 99 S CB 0.163 63.470 63.200 0.178 0.000 0.971 99 S HN 0.433 nan 8.310 nan 0.000 0.478 100 L N 4.788 126.219 121.223 0.346 0.000 2.421 100 L HA 0.518 4.858 4.340 -0.000 0.000 0.263 100 L C 0.480 177.603 176.870 0.421 0.000 1.122 100 L CA -0.041 55.019 54.840 0.367 0.000 0.804 100 L CB 0.796 42.966 42.059 0.185 0.000 1.150 100 L HN 0.651 nan 8.230 nan 0.000 0.457 101 H N 2.078 121.373 119.070 0.375 0.000 2.689 101 H HA 0.496 5.052 4.556 -0.000 0.000 0.346 101 H C -1.240 174.135 175.328 0.077 0.000 1.037 101 H CA -0.576 55.587 56.048 0.193 0.000 1.234 101 H CB 1.637 31.532 29.762 0.222 0.000 1.572 101 H HN 0.281 nan 8.280 nan 0.000 0.524 102 I N 6.992 127.598 120.570 0.060 0.000 2.460 102 I HA 0.229 4.399 4.170 -0.000 0.000 0.298 102 I C -1.415 174.724 176.117 0.036 0.000 0.989 102 I CA -2.611 58.732 61.300 0.071 0.000 1.173 102 I CB 1.903 39.909 38.000 0.010 0.000 1.338 102 I HN 0.440 nan 8.210 nan 0.000 0.456 103 P HA -0.074 nan 4.420 nan 0.000 0.241 103 P C 1.083 178.506 177.300 0.205 0.000 1.191 103 P CA 0.667 63.826 63.100 0.098 0.000 0.771 103 P CB 0.138 31.887 31.700 0.083 0.000 0.929 104 W N 2.182 123.554 121.300 0.120 0.000 2.302 104 W HA -0.148 4.512 4.660 -0.000 0.000 0.320 104 W C 1.080 177.656 176.519 0.094 0.000 1.241 104 W CA 1.328 58.734 57.345 0.102 0.000 1.264 104 W CB -1.899 27.630 29.460 0.116 0.000 1.154 104 W HN 0.123 nan 8.180 nan 0.000 0.483 105 D N -0.197 120.412 120.400 0.348 0.000 2.395 105 D HA 0.021 4.661 4.640 -0.000 0.000 0.226 105 D C 0.341 176.681 176.300 0.068 0.000 1.146 105 D CA 0.111 54.216 54.000 0.175 0.000 0.830 105 D CB -0.373 40.537 40.800 0.183 0.000 0.958 105 D HN 0.091 nan 8.370 nan 0.000 0.501 106 K N 1.278 121.735 120.400 0.095 0.000 2.416 106 K HA 0.332 4.652 4.320 -0.000 0.000 0.283 106 K C -0.457 176.167 176.600 0.041 0.000 1.037 106 K CA 0.019 56.338 56.287 0.053 0.000 0.995 106 K CB 0.389 32.931 32.500 0.071 0.000 0.938 106 K HN 0.078 nan 8.250 nan 0.000 0.475 107 A N 3.605 126.436 122.820 0.019 0.000 2.540 107 A HA 0.183 4.503 4.320 -0.000 0.000 0.291 107 A C -1.660 175.962 177.584 0.064 0.000 1.083 107 A CA -0.904 51.172 52.037 0.066 0.000 0.650 107 A CB 0.746 19.771 19.000 0.042 0.000 1.292 107 A HN 0.777 nan 8.150 nan 0.000 0.435 108 D N 0.606 121.079 120.400 0.122 0.000 2.412 108 D HA 0.332 4.972 4.640 -0.000 0.000 0.257 108 D C -1.542 174.798 176.300 0.067 0.000 1.217 108 D CA -0.814 53.238 54.000 0.088 0.000 0.897 108 D CB 0.896 41.756 40.800 0.101 0.000 1.132 108 D HN 0.106 nan 8.370 nan 0.000 0.493 109 P HA -0.209 nan 4.420 nan 0.000 0.217 109 P C 0.850 178.157 177.300 0.011 0.000 1.151 109 P CA 1.558 64.642 63.100 -0.026 0.000 0.849 109 P CB 0.181 31.862 31.700 -0.032 0.000 0.787 110 K N -0.262 120.162 120.400 0.041 0.000 2.026 110 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 110 K C 2.066 178.725 176.600 0.098 0.000 1.048 110 K CA 1.414 57.736 56.287 0.058 0.000 0.929 110 K CB -0.386 32.142 32.500 0.047 0.000 0.713 110 K HN 0.300 nan 8.250 nan 0.000 0.439 111 E N 1.020 121.301 120.200 0.136 0.000 2.051 111 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 111 E C 2.180 178.970 176.600 0.316 0.000 0.991 111 E CA 0.917 57.444 56.400 0.213 0.000 0.799 111 E CB -0.167 29.702 29.700 0.282 0.000 0.748 111 E HN 0.204 nan 8.360 nan 0.000 0.449 112 L N 0.959 122.335 121.223 0.256 0.000 1.990 112 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 112 L C 2.612 179.666 176.870 0.307 0.000 1.072 112 L CA 1.315 56.266 54.840 0.185 0.000 0.755 112 L CB -0.457 41.513 42.059 -0.148 0.000 0.889 112 L HN 0.039 nan 8.230 nan 0.000 0.432 113 K N 0.361 120.883 120.400 0.205 0.000 2.057 113 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 113 K C 1.994 178.733 176.600 0.232 0.000 1.049 113 K CA 1.598 58.066 56.287 0.301 0.000 0.931 113 K CB -0.409 32.187 32.500 0.160 0.000 0.714 113 K HN 0.274 nan 8.250 nan 0.000 0.440 114 A N 0.503 123.427 122.820 0.174 0.000 1.877 114 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 114 A C 2.209 179.870 177.584 0.129 0.000 1.186 114 A CA 1.890 54.001 52.037 0.123 0.000 0.620 114 A CB -0.592 18.466 19.000 0.097 0.000 0.822 114 A HN 0.293 nan 8.150 nan 0.000 0.443 115 R N -0.017 120.601 120.500 0.197 0.000 2.075 115 R HA -0.035 4.304 4.340 -0.000 0.000 0.232 115 R C 2.192 178.570 176.300 0.131 0.000 1.126 115 R CA 1.859 58.073 56.100 0.189 0.000 0.963 115 R CB -1.409 29.091 30.300 0.333 0.000 0.858 115 R HN 0.404 nan 8.270 nan 0.000 0.435 116 G N 0.467 109.368 108.800 0.168 0.000 2.446 116 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 116 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 116 G C 1.041 175.904 174.900 -0.062 0.000 1.168 116 G CA 1.099 46.187 45.100 -0.021 0.000 0.771 116 G HN 0.355 nan 8.290 nan 0.000 0.551 117 D N 1.099 121.500 120.400 0.002 0.000 2.123 117 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 117 D C 2.835 179.108 176.300 -0.046 0.000 0.992 117 D CA 1.344 55.330 54.000 -0.024 0.000 0.833 117 D CB -0.433 40.374 40.800 0.012 0.000 0.954 117 D HN 0.330 nan 8.370 nan 0.000 0.455 118 A N 0.673 123.479 122.820 -0.024 0.000 1.930 118 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 118 A C 2.320 179.850 177.584 -0.090 0.000 1.175 118 A CA 0.818 52.826 52.037 -0.048 0.000 0.627 118 A CB -0.619 18.371 19.000 -0.016 0.000 0.815 118 A HN 0.205 nan 8.150 nan 0.000 0.443 119 L N -1.244 119.935 121.223 -0.072 0.000 2.554 119 L HA 0.189 4.529 4.340 -0.000 0.000 0.226 119 L C 1.495 178.283 176.870 -0.136 0.000 1.137 119 L CA 0.490 55.272 54.840 -0.097 0.000 0.863 119 L CB -0.199 41.830 42.059 -0.050 0.000 0.985 119 L HN 0.577 nan 8.230 nan 0.000 0.451 120 G N 1.054 109.770 108.800 -0.140 0.000 2.212 120 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.255 120 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.255 120 G C -0.240 174.548 174.900 -0.185 0.000 1.062 120 G CA -0.151 44.857 45.100 -0.153 0.000 0.815 120 G HN 0.219 nan 8.290 nan 0.000 0.497 121 L N -0.304 120.785 121.223 -0.223 0.000 2.362 121 L HA 0.802 5.142 4.340 -0.000 0.000 0.271 121 L C 0.956 177.548 176.870 -0.464 0.000 1.002 121 L CA -0.573 54.073 54.840 -0.323 0.000 0.818 121 L CB 2.066 43.927 42.059 -0.331 0.000 1.298 121 L HN 0.251 nan 8.230 nan 0.000 0.420 122 G N 0.753 109.274 108.800 -0.465 0.000 2.705 122 G HA2 0.709 4.669 3.960 -0.000 0.000 0.299 122 G HA3 0.709 4.669 3.960 -0.000 0.000 0.299 122 G C -1.467 173.036 174.900 -0.662 0.000 1.315 122 G CA -0.360 44.467 45.100 -0.456 0.000 1.045 122 G HN 0.256 nan 8.290 nan 0.000 0.517 123 F N 0.007 119.931 119.950 -0.043 0.000 2.493 123 F HA 0.362 4.889 4.527 -0.000 0.000 0.329 123 F C 0.433 176.205 175.800 -0.046 0.000 1.126 123 F CA -0.903 57.080 58.000 -0.028 0.000 0.937 123 F CB 2.110 41.107 39.000 -0.005 0.000 1.146 123 F HN 0.371 nan 8.300 nan 0.000 0.442 124 D N 1.294 121.775 120.400 0.135 0.000 2.475 124 D HA 0.507 5.146 4.640 -0.000 0.000 0.286 124 D C -0.116 176.217 176.300 0.055 0.000 1.205 124 D CA -0.283 53.752 54.000 0.059 0.000 1.092 124 D CB 1.317 42.151 40.800 0.057 0.000 1.147 124 D HN 0.591 nan 8.370 nan 0.000 0.575 125 A N 0.719 123.577 122.820 0.063 0.000 2.540 125 A HA 0.150 4.470 4.320 -0.000 0.000 0.239 125 A C 0.595 178.243 177.584 0.107 0.000 1.061 125 A CA 0.133 52.202 52.037 0.053 0.000 0.758 125 A CB -0.021 19.102 19.000 0.205 0.000 0.991 125 A HN 0.402 nan 8.150 nan 0.000 0.502 126 M N 2.314 121.947 119.600 0.054 0.000 2.241 126 M HA 0.198 4.678 4.480 -0.000 0.000 0.335 126 M C 0.039 176.377 176.300 0.063 0.000 1.122 126 M CA 0.183 55.533 55.300 0.083 0.000 1.164 126 M CB 0.214 32.875 32.600 0.103 0.000 1.459 126 M HN 0.659 nan 8.290 nan 0.000 0.461 127 N N 1.118 119.793 118.700 -0.041 0.000 2.399 127 N HA 0.307 5.047 4.740 -0.000 0.000 0.284 127 N C -0.868 174.381 175.510 -0.436 0.000 1.025 127 N CA -0.218 52.680 53.050 -0.254 0.000 0.885 127 N CB 1.791 39.979 38.487 -0.498 0.000 1.339 127 N HN 0.622 nan 8.380 nan 0.000 0.487 128 S N 1.575 117.148 115.700 -0.213 0.000 2.632 128 S HA 0.336 4.806 4.470 -0.000 0.000 0.271 128 S C 0.003 174.571 174.600 -0.052 0.000 1.260 128 S CA -0.730 57.440 58.200 -0.049 0.000 1.010 128 S CB 1.587 64.808 63.200 0.034 0.000 0.965 128 S HN 0.535 nan 8.310 nan 0.000 0.534 129 N N 0.850 119.553 118.700 0.005 0.000 2.617 129 N HA 0.252 4.992 4.740 -0.000 0.000 0.263 129 N C -0.535 174.551 175.510 -0.706 0.000 1.074 129 N CA -0.391 52.351 53.050 -0.514 0.000 0.841 129 N CB 1.241 39.282 38.487 -0.744 0.000 1.221 129 N HN 0.851 nan 8.380 nan 0.000 0.529 130 T N -0.062 114.128 114.554 -0.606 0.000 3.331 130 T HA 0.211 4.561 4.350 -0.000 0.000 0.282 130 T C 0.444 174.806 174.700 -0.564 0.000 1.010 130 T CA -0.480 61.143 62.100 -0.796 0.000 0.928 130 T CB -1.167 67.118 68.868 -0.971 0.000 1.154 130 T HN 0.264 nan 8.240 nan 0.000 0.516 131 F N 0.568 120.376 119.950 -0.236 0.000 2.654 131 F HA 0.675 5.202 4.527 -0.000 0.000 0.303 131 F C 0.109 175.912 175.800 0.004 0.000 1.099 131 F CA -1.137 56.766 58.000 -0.161 0.000 1.270 131 F CB -0.244 38.622 39.000 -0.224 0.000 1.024 131 F HN 0.302 nan 8.300 nan 0.000 0.548 132 S N -1.366 114.288 115.700 -0.077 0.000 2.565 132 S HA 0.475 4.945 4.470 -0.000 0.000 0.269 132 S C -1.772 172.842 174.600 0.024 0.000 1.153 132 S CA -0.968 57.252 58.200 0.033 0.000 0.835 132 S CB 2.029 65.253 63.200 0.039 0.000 1.122 132 S HN 0.021 nan 8.310 nan 0.000 0.462 133 D N 1.119 121.524 120.400 0.008 0.000 2.175 133 D HA 0.715 5.355 4.640 -0.000 0.000 0.248 133 D C 0.035 176.302 176.300 -0.054 0.000 1.047 133 D CA -0.031 53.926 54.000 -0.071 0.000 0.883 133 D CB 1.766 42.506 40.800 -0.100 0.000 1.180 133 D HN 0.864 nan 8.370 nan 0.000 0.438 134 A N 2.485 125.254 122.820 -0.085 0.000 2.294 134 A HA 0.672 4.992 4.320 -0.000 0.000 0.330 134 A C -2.412 175.144 177.584 -0.047 0.000 1.133 134 A CA -1.454 50.558 52.037 -0.042 0.000 0.836 134 A CB 0.390 19.363 19.000 -0.044 0.000 1.190 134 A HN 0.319 nan 8.150 nan 0.000 0.492 135 P HA 0.296 nan 4.420 nan 0.000 0.264 135 P C 0.902 178.179 177.300 -0.038 0.000 1.193 135 P CA 1.908 64.994 63.100 -0.023 0.000 0.763 135 P CB 0.610 32.309 31.700 -0.001 0.000 0.810 136 G N 1.653 110.422 108.800 -0.052 0.000 2.162 136 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 136 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 136 G C 0.270 175.113 174.900 -0.094 0.000 0.976 136 G CA -0.103 44.959 45.100 -0.063 0.000 0.655 136 G HN 0.658 nan 8.290 nan 0.000 0.533 137 Q N 0.081 119.810 119.800 -0.118 0.000 2.289 137 Q HA 0.581 4.921 4.340 -0.000 0.000 0.273 137 Q C 1.742 177.609 176.000 -0.221 0.000 1.029 137 Q CA 0.565 56.264 55.803 -0.173 0.000 0.896 137 Q CB 0.735 29.340 28.738 -0.221 0.000 1.182 137 Q HN 0.666 nan 8.270 nan 0.000 0.385 138 A N 5.189 127.850 122.820 -0.266 0.000 1.898 138 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 138 A C 0.233 177.437 177.584 -0.633 0.000 1.181 138 A CA 1.086 52.863 52.037 -0.433 0.000 0.620 138 A CB -0.026 18.687 19.000 -0.478 0.000 0.819 138 A HN 0.802 nan 8.150 nan 0.000 0.442 139 H N -0.678 118.254 119.070 -0.230 0.000 2.547 139 H HA 0.415 4.971 4.556 -0.000 0.000 0.342 139 H C -0.652 174.420 175.328 -0.428 0.000 1.048 139 H CA -0.524 55.363 56.048 -0.269 0.000 1.204 139 H CB 1.495 31.107 29.762 -0.251 0.000 1.493 139 H HN 0.253 nan 8.280 nan 0.000 0.511 140 S N 1.965 117.551 115.700 -0.190 0.000 2.580 140 S HA 0.064 4.534 4.470 -0.000 0.000 0.274 140 S C 0.100 174.610 174.600 -0.150 0.000 1.329 140 S CA -0.369 57.694 58.200 -0.229 0.000 1.036 140 S CB 0.238 63.382 63.200 -0.093 0.000 0.919 140 S HN 0.438 nan 8.310 nan 0.000 0.515 141 Y N 2.943 123.238 120.300 -0.008 0.000 2.532 141 Y HA 0.294 4.844 4.550 -0.000 0.000 0.283 141 Y C 1.768 177.679 175.900 0.018 0.000 1.181 141 Y CA -0.514 57.605 58.100 0.032 0.000 1.256 141 Y CB -0.533 37.909 38.460 -0.030 0.000 1.112 141 Y HN 0.736 nan 8.280 nan 0.000 0.521 142 K N -0.053 120.376 120.400 0.048 0.000 2.074 142 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 142 K C 0.222 176.664 176.600 -0.263 0.000 1.048 142 K CA 1.829 57.995 56.287 -0.201 0.000 0.926 142 K CB -0.132 32.081 32.500 -0.479 0.000 0.713 142 K HN 0.305 nan 8.250 nan 0.000 0.444 143 Y N -0.202 120.199 120.300 0.168 0.000 2.658 143 Y HA 0.354 4.904 4.550 0.000 0.000 0.276 143 Y C 0.571 176.439 175.900 -0.054 0.000 1.167 143 Y CA 0.101 58.206 58.100 0.009 0.000 1.230 143 Y CB 1.053 39.440 38.460 -0.121 0.000 1.144 143 Y HN 0.292 nan 8.280 nan 0.000 0.529 144 G N -0.676 108.265 108.800 0.236 0.000 2.354 144 G HA2 0.220 4.180 3.960 -0.000 0.000 0.582 144 G HA3 0.220 4.180 3.960 -0.000 0.000 0.582 144 G C -0.026 175.068 174.900 0.325 0.000 1.316 144 G CA -0.229 44.987 45.100 0.193 0.000 0.995 144 G HN 0.280 nan 8.290 nan 0.000 0.573 145 S N -1.281 114.490 115.700 0.118 0.000 4.163 145 S HA 0.339 4.809 4.470 -0.000 0.000 0.164 145 S C 1.999 176.612 174.600 0.022 0.000 0.896 145 S CA 0.570 58.743 58.200 -0.046 0.000 1.125 145 S CB -0.213 62.624 63.200 -0.605 0.000 1.698 145 S HN 0.871 nan 8.310 nan 0.000 0.817 146 L N 2.848 124.046 121.223 -0.041 0.000 2.265 146 L HA 0.064 4.404 4.340 -0.000 0.000 0.215 146 L C 2.235 179.147 176.870 0.070 0.000 1.117 146 L CA 1.477 56.307 54.840 -0.017 0.000 0.782 146 L CB -0.481 41.525 42.059 -0.089 0.000 0.914 146 L HN 0.704 nan 8.230 nan 0.000 0.441 147 S N -3.233 112.554 115.700 0.144 0.000 2.578 147 S HA 0.039 4.509 4.470 -0.000 0.000 0.231 147 S C 0.762 175.449 174.600 0.146 0.000 0.994 147 S CA -0.574 57.725 58.200 0.166 0.000 0.956 147 S CB -0.301 63.020 63.200 0.203 0.000 0.870 147 S HN 0.301 nan 8.310 nan 0.000 0.494 148 H N 2.939 122.054 119.070 0.075 0.000 3.016 148 H HA 0.029 4.585 4.556 -0.000 0.000 0.345 148 H C 1.605 176.966 175.328 0.056 0.000 1.066 148 H CA 1.723 57.823 56.048 0.088 0.000 1.390 148 H CB 1.359 31.186 29.762 0.109 0.000 1.344 148 H HN 0.464 nan 8.280 nan 0.000 0.605 149 T N 0.883 115.499 114.554 0.103 0.000 2.995 149 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 149 T C 0.902 175.716 174.700 0.191 0.000 1.091 149 T CA 0.490 62.657 62.100 0.111 0.000 1.128 149 T CB -0.048 68.825 68.868 0.007 0.000 0.891 149 T HN 0.432 nan 8.240 nan 0.000 0.492 150 N N 0.984 119.930 118.700 0.410 0.000 2.408 150 N HA 0.540 5.280 4.740 -0.000 0.000 0.257 150 N C 1.150 176.653 175.510 -0.012 0.000 1.064 150 N CA 0.285 53.405 53.050 0.115 0.000 0.952 150 N CB 1.077 39.551 38.487 -0.021 0.000 1.093 150 N HN 0.186 nan 8.380 nan 0.000 0.490 151 A N 4.057 126.857 122.820 -0.035 0.000 1.917 151 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 151 A C 2.112 179.628 177.584 -0.113 0.000 1.182 151 A CA 2.047 54.052 52.037 -0.053 0.000 0.633 151 A CB -1.242 17.733 19.000 -0.041 0.000 0.819 151 A HN 0.786 nan 8.150 nan 0.000 0.448 152 A N -1.143 121.553 122.820 -0.207 0.000 1.933 152 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 152 A C 2.301 179.661 177.584 -0.373 0.000 1.175 152 A CA 2.331 54.184 52.037 -0.307 0.000 0.628 152 A CB -1.272 17.437 19.000 -0.484 0.000 0.814 152 A HN 0.459 nan 8.150 nan 0.000 0.444 153 T N -0.260 114.011 114.554 -0.472 0.000 2.746 153 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 153 T C 2.047 176.728 174.700 -0.031 0.000 1.039 153 T CA 1.481 63.403 62.100 -0.297 0.000 1.142 153 T CB -0.235 68.307 68.868 -0.543 0.000 0.866 153 T HN 0.521 nan 8.240 nan 0.000 0.444 154 R N 1.088 121.568 120.500 -0.032 0.000 2.073 154 R HA 0.044 4.384 4.340 -0.000 0.000 0.234 154 R C 2.897 179.199 176.300 0.003 0.000 1.134 154 R CA 1.280 57.389 56.100 0.015 0.000 0.952 154 R CB -0.593 29.713 30.300 0.011 0.000 0.850 154 R HN 0.369 nan 8.270 nan 0.000 0.433 155 A N 1.357 124.166 122.820 -0.019 0.000 1.908 155 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 155 A C 2.158 179.758 177.584 0.026 0.000 1.181 155 A CA 1.653 53.685 52.037 -0.009 0.000 0.627 155 A CB -0.621 18.366 19.000 -0.021 0.000 0.818 155 A HN 0.426 nan 8.150 nan 0.000 0.445 156 Q N -0.587 119.247 119.800 0.057 0.000 2.084 156 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 156 Q C 2.177 178.274 176.000 0.161 0.000 0.978 156 Q CA 1.678 57.550 55.803 0.115 0.000 0.844 156 Q CB -0.353 28.475 28.738 0.150 0.000 0.898 156 Q HN 0.604 nan 8.270 nan 0.000 0.426 157 A N 0.026 122.946 122.820 0.167 0.000 1.902 157 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 157 A C 2.219 179.836 177.584 0.054 0.000 1.181 157 A CA 1.516 53.608 52.037 0.091 0.000 0.623 157 A CB -0.755 18.213 19.000 -0.054 0.000 0.818 157 A HN 0.306 nan 8.150 nan 0.000 0.443 158 V N 0.167 120.091 119.914 0.016 0.000 2.295 158 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 158 V C 2.648 178.738 176.094 -0.007 0.000 1.049 158 V CA 2.447 64.737 62.300 -0.017 0.000 1.024 158 V CB -0.742 31.061 31.823 -0.034 0.000 0.648 158 V HN 0.702 nan 8.190 nan 0.000 0.447 159 E N 0.035 120.246 120.200 0.018 0.000 2.085 159 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 159 E C 2.231 178.839 176.600 0.013 0.000 0.994 159 E CA 1.844 58.250 56.400 0.009 0.000 0.801 159 E CB -0.571 29.145 29.700 0.026 0.000 0.743 159 E HN 0.750 nan 8.360 nan 0.000 0.453 160 H N 0.124 119.182 119.070 -0.020 0.000 2.319 160 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 160 H C 1.724 177.019 175.328 -0.055 0.000 1.092 160 H CA 1.719 57.750 56.048 -0.029 0.000 1.302 160 H CB -0.015 29.742 29.762 -0.009 0.000 1.373 160 H HN 0.196 nan 8.280 nan 0.000 0.497 161 N N 0.658 119.276 118.700 -0.137 0.000 2.166 161 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 161 N C 2.362 177.759 175.510 -0.188 0.000 1.019 161 N CA 0.958 53.899 53.050 -0.181 0.000 0.856 161 N CB -0.053 38.392 38.487 -0.070 0.000 0.993 161 N HN 0.389 nan 8.380 nan 0.000 0.426 162 L N 1.201 122.335 121.223 -0.149 0.000 2.083 162 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 162 L C 2.463 179.226 176.870 -0.180 0.000 1.083 162 L CA 1.037 55.782 54.840 -0.157 0.000 0.752 162 L CB -0.410 41.576 42.059 -0.121 0.000 0.899 162 L HN 0.223 nan 8.230 nan 0.000 0.433 163 E N -0.200 119.891 120.200 -0.181 0.000 2.110 163 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 163 E C 2.309 178.794 176.600 -0.193 0.000 0.988 163 E CA 1.542 57.839 56.400 -0.172 0.000 0.804 163 E CB 0.017 29.625 29.700 -0.153 0.000 0.745 163 E HN 0.550 nan 8.360 nan 0.000 0.458 164 C N 0.285 119.429 119.300 -0.260 0.000 2.425 164 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 164 C C 2.505 177.447 174.990 -0.079 0.000 1.280 164 C CA 0.326 59.230 59.018 -0.190 0.000 1.744 164 C CB -0.797 26.804 27.740 -0.231 0.000 1.989 164 C HN 0.490 nan 8.230 nan 0.000 0.491 165 I N 0.629 121.114 120.570 -0.141 0.000 2.315 165 I HA -0.148 4.022 4.170 -0.000 0.000 0.248 165 I C 2.578 178.513 176.117 -0.304 0.000 1.117 165 I CA 1.238 62.369 61.300 -0.281 0.000 1.404 165 I CB -0.542 37.170 38.000 -0.480 0.000 1.071 165 I HN 0.328 nan 8.210 nan 0.000 0.419 166 E N 0.822 120.890 120.200 -0.220 0.000 2.072 166 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 166 E C 2.313 178.856 176.600 -0.096 0.000 0.985 166 E CA 1.168 57.466 56.400 -0.170 0.000 0.801 166 E CB -0.112 29.506 29.700 -0.137 0.000 0.750 166 E HN 0.396 nan 8.360 nan 0.000 0.452 167 I N 0.558 121.084 120.570 -0.073 0.000 2.286 167 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 167 I C 2.408 178.519 176.117 -0.010 0.000 1.115 167 I CA 1.312 62.581 61.300 -0.051 0.000 1.392 167 I CB -1.670 36.293 38.000 -0.062 0.000 1.065 167 I HN 0.064 nan 8.210 nan 0.000 0.418 168 G N 1.042 109.895 108.800 0.088 0.000 2.408 168 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 168 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 168 G C 1.772 176.864 174.900 0.319 0.000 1.150 168 G CA 0.267 45.519 45.100 0.254 0.000 0.776 168 G HN 0.356 nan 8.290 nan 0.000 0.542 169 K N 0.602 121.141 120.400 0.232 0.000 2.148 169 K HA 0.066 4.386 4.320 -0.000 0.000 0.204 169 K C 2.780 179.435 176.600 0.093 0.000 1.050 169 K CA 0.932 57.322 56.287 0.171 0.000 0.942 169 K CB -0.124 32.339 32.500 -0.061 0.000 0.724 169 K HN 0.280 nan 8.250 nan 0.000 0.446 170 A N 1.632 124.473 122.820 0.035 0.000 2.067 170 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 170 A C 1.968 179.561 177.584 0.014 0.000 1.156 170 A CA 0.793 52.837 52.037 0.012 0.000 0.683 170 A CB -0.480 18.510 19.000 -0.016 0.000 0.808 170 A HN 0.453 nan 8.150 nan 0.000 0.455 171 I N -6.117 114.452 120.570 -0.001 0.000 4.057 171 I HA 0.513 4.683 4.170 -0.000 0.000 0.334 171 I C 1.121 177.315 176.117 0.128 0.000 1.308 171 I CA 0.680 61.962 61.300 -0.030 0.000 1.125 171 I CB 0.487 38.261 38.000 -0.378 0.000 1.034 171 I HN 0.289 nan 8.210 nan 0.000 0.401 172 G N 1.438 110.317 108.800 0.132 0.000 2.184 172 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.206 172 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.206 172 G C 0.313 175.275 174.900 0.104 0.000 0.995 172 G CA 0.180 45.366 45.100 0.143 0.000 0.651 172 G HN 0.514 nan 8.290 nan 0.000 0.511 173 S N -0.201 115.559 115.700 0.100 0.000 2.593 173 S HA 0.599 5.069 4.470 -0.000 0.000 0.269 173 S C 0.923 175.251 174.600 -0.454 0.000 1.334 173 S CA 0.316 58.459 58.200 -0.096 0.000 1.015 173 S CB 0.764 63.925 63.200 -0.064 0.000 0.912 173 S HN 0.185 nan 8.310 nan 0.000 0.541 174 K N 1.325 121.167 120.400 -0.931 0.000 2.619 174 K HA 0.475 4.795 4.320 -0.000 0.000 0.201 174 K C -0.595 174.949 176.600 -1.761 0.000 1.090 174 K CA -0.013 55.337 56.287 -1.561 0.000 1.063 174 K CB 0.715 32.835 32.500 -0.633 0.000 0.810 174 K HN 0.604 nan 8.250 nan 0.000 0.506 175 A N 0.687 122.483 122.820 -1.707 0.000 2.599 175 A HA 0.638 4.958 4.320 -0.000 0.000 0.294 175 A C -2.127 175.204 177.584 -0.422 0.000 1.055 175 A CA -0.743 50.765 52.037 -0.882 0.000 0.683 175 A CB 1.235 19.906 19.000 -0.549 0.000 1.278 175 A HN 0.092 nan 8.150 nan 0.000 0.412 176 L N 0.817 121.973 121.223 -0.112 0.000 2.356 176 L HA 0.802 5.142 4.340 -0.000 0.000 0.277 176 L C -0.495 176.414 176.870 0.065 0.000 0.996 176 L CA 0.266 55.151 54.840 0.075 0.000 0.822 176 L CB 2.094 44.253 42.059 0.167 0.000 1.256 176 L HN 0.645 nan 8.230 nan 0.000 0.413 177 T N 4.633 119.280 114.554 0.155 0.000 2.758 177 T HA 0.559 4.909 4.350 -0.000 0.000 0.285 177 T C -0.650 174.160 174.700 0.184 0.000 0.981 177 T CA -0.305 61.941 62.100 0.245 0.000 0.965 177 T CB 1.169 70.226 68.868 0.316 0.000 0.927 177 T HN 0.362 nan 8.240 nan 0.000 0.448 178 V N 4.642 124.677 119.914 0.202 0.000 2.334 178 V HA 0.456 4.576 4.120 -0.000 0.000 0.281 178 V C -0.858 175.389 176.094 0.256 0.000 1.016 178 V CA -0.957 61.453 62.300 0.183 0.000 0.832 178 V CB 0.773 32.678 31.823 0.136 0.000 0.999 178 V HN 0.906 nan 8.190 nan 0.000 0.439 179 W N 8.400 129.768 121.300 0.113 0.000 2.619 179 W HA 0.805 5.465 4.660 -0.000 0.000 0.327 179 W C -0.792 175.799 176.519 0.121 0.000 1.027 179 W CA -0.899 56.502 57.345 0.093 0.000 1.233 179 W CB 1.297 30.795 29.460 0.064 0.000 1.370 179 W HN 0.595 nan 8.180 nan 0.000 0.453 180 I N 2.746 122.732 120.570 -0.973 0.000 3.002 180 I HA 0.818 4.988 4.170 -0.000 0.000 0.310 180 I C 0.789 176.117 176.117 -1.316 0.000 1.087 180 I CA -1.183 59.573 61.300 -0.906 0.000 1.017 180 I CB 2.105 39.895 38.000 -0.349 0.000 1.226 180 I HN 0.639 nan 8.210 nan 0.000 0.443 181 G N 1.061 109.348 108.800 -0.856 0.000 3.042 181 G HA2 0.055 4.015 3.960 -0.000 0.000 0.212 181 G HA3 0.055 4.015 3.960 -0.000 0.000 0.212 181 G C 0.002 174.721 174.900 -0.303 0.000 1.166 181 G CA -0.122 44.633 45.100 -0.574 0.000 0.767 181 G HN 0.731 nan 8.290 nan 0.000 0.546 182 D N 0.890 121.141 120.400 -0.249 0.000 2.752 182 D HA 0.392 5.032 4.640 -0.000 0.000 0.225 182 D C 0.933 177.170 176.300 -0.104 0.000 1.104 182 D CA 1.905 55.835 54.000 -0.118 0.000 0.832 182 D CB 0.710 41.473 40.800 -0.062 0.000 1.161 182 D HN 0.393 nan 8.370 nan 0.000 0.505 183 G N 0.129 108.906 108.800 -0.039 0.000 2.360 183 G HA2 0.510 4.470 3.960 -0.000 0.000 0.276 183 G HA3 0.510 4.470 3.960 -0.000 0.000 0.276 183 G C -1.370 173.568 174.900 0.064 0.000 1.256 183 G CA -0.182 44.912 45.100 -0.011 0.000 0.890 183 G HN 0.771 nan 8.290 nan 0.000 0.486 184 S N -1.276 114.490 115.700 0.110 0.000 2.588 184 S HA 0.657 5.127 4.470 -0.000 0.000 0.275 184 S C -0.330 174.386 174.600 0.194 0.000 1.130 184 S CA -0.723 57.596 58.200 0.198 0.000 0.855 184 S CB 2.237 65.619 63.200 0.304 0.000 1.116 184 S HN 0.419 nan 8.310 nan 0.000 0.472 185 N N -0.471 118.317 118.700 0.146 0.000 2.220 185 N HA 0.423 5.163 4.740 -0.000 0.000 0.195 185 N C -1.423 173.787 175.510 -0.500 0.000 1.123 185 N CA 0.215 53.192 53.050 -0.121 0.000 0.874 185 N CB 0.043 38.382 38.487 -0.247 0.000 0.995 185 N HN 0.590 nan 8.380 nan 0.000 0.498 186 F N -0.161 119.869 119.950 0.134 0.000 2.591 186 F HA 0.449 4.976 4.527 -0.000 0.000 0.309 186 F C -2.294 173.318 175.800 -0.313 0.000 1.098 186 F CA -2.434 55.503 58.000 -0.105 0.000 0.937 186 F CB 1.859 40.827 39.000 -0.053 0.000 1.250 186 F HN -0.303 nan 8.300 nan 0.000 0.447 187 P HA 0.220 nan 4.420 nan 0.000 0.266 187 P C 0.697 177.906 177.300 -0.152 0.000 1.195 187 P CA 1.304 64.080 63.100 -0.541 0.000 0.768 187 P CB 0.756 32.169 31.700 -0.478 0.000 0.838 188 G N 2.082 110.811 108.800 -0.118 0.000 2.320 188 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.242 188 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.242 188 G C 1.327 176.188 174.900 -0.066 0.000 1.033 188 G CA 0.557 45.594 45.100 -0.105 0.000 0.620 188 G HN 0.571 nan 8.290 nan 0.000 0.517 189 Q N 0.692 120.497 119.800 0.009 0.000 2.112 189 Q HA 0.031 4.371 4.340 -0.000 0.000 0.206 189 Q C 0.944 176.949 176.000 0.007 0.000 0.987 189 Q CA 1.854 57.681 55.803 0.039 0.000 0.858 189 Q CB -0.113 28.726 28.738 0.168 0.000 0.905 189 Q HN 0.568 nan 8.270 nan 0.000 0.420 190 S N 0.630 116.342 115.700 0.020 0.000 2.532 190 S HA 0.298 4.768 4.470 -0.000 0.000 0.301 190 S C -0.818 173.705 174.600 -0.129 0.000 1.083 190 S CA -0.904 57.296 58.200 0.000 0.000 1.025 190 S CB 1.547 64.815 63.200 0.112 0.000 1.056 190 S HN 0.331 nan 8.310 nan 0.000 0.494 191 N N 1.831 120.480 118.700 -0.086 0.000 2.439 191 N HA 0.154 4.894 4.740 -0.000 0.000 0.249 191 N C 0.324 175.837 175.510 0.005 0.000 1.003 191 N CA -0.310 52.660 53.050 -0.133 0.000 0.942 191 N CB 0.167 38.621 38.487 -0.055 0.000 1.115 191 N HN 0.372 nan 8.380 nan 0.000 0.505 192 F N 2.174 122.147 119.950 0.039 0.000 2.063 192 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 192 F C 2.464 178.295 175.800 0.052 0.000 1.109 192 F CA 1.276 59.286 58.000 0.018 0.000 1.212 192 F CB -1.257 37.734 39.000 -0.015 0.000 0.973 192 F HN 0.427 nan 8.300 nan 0.000 0.480 193 T N 0.106 114.814 114.554 0.257 0.000 2.737 193 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 193 T C 2.102 176.911 174.700 0.181 0.000 1.038 193 T CA 1.413 63.639 62.100 0.211 0.000 1.144 193 T CB -0.243 68.710 68.868 0.143 0.000 0.866 193 T HN 0.187 nan 8.240 nan 0.000 0.434 194 R N 1.081 121.652 120.500 0.119 0.000 2.096 194 R HA 0.044 4.384 4.340 -0.000 0.000 0.235 194 R C 2.805 179.172 176.300 0.111 0.000 1.127 194 R CA 1.235 57.386 56.100 0.085 0.000 0.968 194 R CB -0.485 29.842 30.300 0.045 0.000 0.861 194 R HN 0.355 nan 8.270 nan 0.000 0.440 195 A N 0.920 123.825 122.820 0.143 0.000 1.902 195 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 195 A C 1.911 179.641 177.584 0.243 0.000 1.181 195 A CA 1.036 53.169 52.037 0.160 0.000 0.623 195 A CB -0.535 18.558 19.000 0.155 0.000 0.818 195 A HN 0.310 nan 8.150 nan 0.000 0.443 196 F N 1.039 121.030 119.950 0.068 0.000 2.186 196 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 196 F C 2.106 177.971 175.800 0.109 0.000 1.090 196 F CA 1.587 59.623 58.000 0.062 0.000 1.307 196 F CB -0.490 38.515 39.000 0.009 0.000 1.019 196 F HN 0.388 nan 8.300 nan 0.000 0.489 197 E N -0.150 120.082 120.200 0.052 0.000 2.077 197 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 197 E C 2.337 178.909 176.600 -0.046 0.000 0.989 197 E CA 1.252 57.608 56.400 -0.073 0.000 0.800 197 E CB -0.194 29.498 29.700 -0.013 0.000 0.746 197 E HN 0.406 nan 8.360 nan 0.000 0.452 198 R N -0.098 120.423 120.500 0.034 0.000 2.081 198 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 198 R C 2.362 178.683 176.300 0.035 0.000 1.131 198 R CA 1.455 57.575 56.100 0.035 0.000 0.960 198 R CB -0.454 29.888 30.300 0.069 0.000 0.856 198 R HN 0.290 nan 8.270 nan 0.000 0.436 199 Y N 1.655 121.936 120.300 -0.030 0.000 2.181 199 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 199 Y C 1.959 177.795 175.900 -0.107 0.000 1.146 199 Y CA 1.425 59.509 58.100 -0.027 0.000 1.164 199 Y CB -0.266 38.241 38.460 0.078 0.000 0.982 199 Y HN -0.069 nan 8.280 nan 0.000 0.515 200 L N -0.851 120.313 121.223 -0.098 0.000 2.083 200 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 200 L C 2.835 179.572 176.870 -0.221 0.000 1.083 200 L CA 1.614 56.315 54.840 -0.233 0.000 0.752 200 L CB -0.823 41.020 42.059 -0.361 0.000 0.899 200 L HN 0.248 nan 8.230 nan 0.000 0.433 201 S N -0.376 115.222 115.700 -0.169 0.000 2.368 201 S HA -0.146 4.323 4.470 -0.000 0.000 0.224 201 S C 2.140 176.657 174.600 -0.139 0.000 1.029 201 S CA 1.181 59.301 58.200 -0.133 0.000 0.988 201 S CB -0.068 63.077 63.200 -0.091 0.000 0.838 201 S HN 0.424 nan 8.310 nan 0.000 0.462 202 A N 1.915 124.639 122.820 -0.161 0.000 1.877 202 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 202 A C 2.276 179.740 177.584 -0.200 0.000 1.186 202 A CA 1.593 53.533 52.037 -0.161 0.000 0.620 202 A CB -0.613 18.290 19.000 -0.162 0.000 0.822 202 A HN 0.545 nan 8.150 nan 0.000 0.443 203 M N -0.405 119.003 119.600 -0.321 0.000 2.213 203 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 203 M C 2.434 178.663 176.300 -0.119 0.000 1.062 203 M CA 1.419 56.553 55.300 -0.276 0.000 1.105 203 M CB -1.301 31.043 32.600 -0.427 0.000 1.385 203 M HN 0.513 nan 8.290 nan 0.000 0.417 204 A N 0.053 122.794 122.820 -0.133 0.000 1.972 204 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 204 A C 2.042 179.612 177.584 -0.023 0.000 1.169 204 A CA 1.471 53.455 52.037 -0.089 0.000 0.635 204 A CB -0.550 18.374 19.000 -0.128 0.000 0.810 204 A HN 0.565 nan 8.150 nan 0.000 0.446 205 E N -0.372 119.797 120.200 -0.051 0.000 2.107 205 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 205 E C 1.810 178.393 176.600 -0.028 0.000 0.982 205 E CA 0.999 57.377 56.400 -0.038 0.000 0.809 205 E CB -0.222 29.445 29.700 -0.055 0.000 0.756 205 E HN 0.705 nan 8.360 nan 0.000 0.459 206 I N 0.297 120.845 120.570 -0.036 0.000 2.315 206 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 206 I C 2.337 178.442 176.117 -0.020 0.000 1.117 206 I CA 0.892 62.164 61.300 -0.046 0.000 1.404 206 I CB -0.234 37.731 38.000 -0.059 0.000 1.071 206 I HN 0.117 nan 8.210 nan 0.000 0.419 207 Y N 2.200 122.444 120.300 -0.094 0.000 2.207 207 Y HA -0.268 4.282 4.550 0.000 0.000 0.287 207 Y C 2.412 178.265 175.900 -0.078 0.000 1.156 207 Y CA 1.682 59.737 58.100 -0.076 0.000 1.182 207 Y CB -0.163 38.255 38.460 -0.069 0.000 0.979 207 Y HN -0.008 nan 8.280 nan 0.000 0.521 208 K N -0.906 119.569 120.400 0.124 0.000 2.280 208 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 208 K C 1.890 178.447 176.600 -0.071 0.000 1.047 208 K CA 0.991 57.304 56.287 0.043 0.000 0.942 208 K CB -0.430 32.083 32.500 0.023 0.000 0.739 208 K HN 0.438 nan 8.250 nan 0.000 0.457 209 G N 0.564 109.293 108.800 -0.118 0.000 3.141 209 G HA2 0.099 4.059 3.960 -0.000 0.000 0.218 209 G HA3 0.099 4.059 3.960 -0.000 0.000 0.218 209 G C 0.220 174.950 174.900 -0.283 0.000 1.170 209 G CA -0.290 44.701 45.100 -0.182 0.000 0.769 209 G HN 0.017 nan 8.290 nan 0.000 0.546 210 L N 1.260 122.302 121.223 -0.302 0.000 2.305 210 L HA 0.313 4.653 4.340 -0.000 0.000 0.281 210 L C -1.968 174.706 176.870 -0.327 0.000 1.085 210 L CA -1.847 52.772 54.840 -0.368 0.000 0.813 210 L CB 1.458 43.298 42.059 -0.365 0.000 1.157 210 L HN -0.084 nan 8.230 nan 0.000 0.436 211 P HA 0.034 nan 4.420 nan 0.000 0.273 211 P C -0.032 177.220 177.300 -0.081 0.000 1.250 211 P CA -0.364 62.585 63.100 -0.252 0.000 0.793 211 P CB 0.602 32.101 31.700 -0.334 0.000 1.011 212 D N 0.168 120.549 120.400 -0.033 0.000 2.264 212 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 212 D C 0.710 177.039 176.300 0.048 0.000 0.966 212 D CA 1.286 55.286 54.000 0.000 0.000 0.864 212 D CB -0.241 40.562 40.800 0.004 0.000 0.933 212 D HN 0.528 nan 8.370 nan 0.000 0.499 213 D N -1.371 119.094 120.400 0.109 0.000 2.388 213 D HA -0.031 4.609 4.640 -0.000 0.000 0.221 213 D C 0.070 176.468 176.300 0.163 0.000 1.133 213 D CA -0.447 53.624 54.000 0.118 0.000 0.831 213 D CB -0.516 40.345 40.800 0.103 0.000 0.962 213 D HN 0.041 nan 8.370 nan 0.000 0.502 214 W N 1.169 122.398 121.300 -0.119 0.000 2.497 214 W HA 0.515 5.175 4.660 -0.000 0.000 0.359 214 W C 0.343 176.728 176.519 -0.223 0.000 1.131 214 W CA -0.662 56.585 57.345 -0.163 0.000 1.280 214 W CB 1.324 30.674 29.460 -0.184 0.000 1.319 214 W HN -0.395 nan 8.180 nan 0.000 0.626 215 K N 1.571 121.873 120.400 -0.163 0.000 2.426 215 K HA 0.590 4.910 4.320 -0.000 0.000 0.251 215 K C -1.789 174.487 176.600 -0.540 0.000 0.941 215 K CA -1.275 54.788 56.287 -0.374 0.000 0.808 215 K CB 2.444 34.618 32.500 -0.544 0.000 1.265 215 K HN 0.218 nan 8.250 nan 0.000 0.432 216 L N 2.917 123.889 121.223 -0.418 0.000 2.305 216 L HA 0.526 4.866 4.340 -0.000 0.000 0.284 216 L C -1.715 175.039 176.870 -0.193 0.000 1.013 216 L CA -0.237 54.447 54.840 -0.261 0.000 0.819 216 L CB 0.509 42.541 42.059 -0.046 0.000 1.227 216 L HN 0.384 nan 8.230 nan 0.000 0.417 217 F N 2.928 122.928 119.950 0.083 0.000 2.444 217 F HA 0.584 5.110 4.527 -0.000 0.000 0.342 217 F C 0.451 176.311 175.800 0.099 0.000 1.121 217 F CA -0.858 57.187 58.000 0.075 0.000 0.997 217 F CB 1.730 40.749 39.000 0.031 0.000 1.130 217 F HN 0.527 nan 8.300 nan 0.000 0.454 218 S N 1.521 117.416 115.700 0.324 0.000 2.489 218 S HA 0.551 5.021 4.470 -0.000 0.000 0.291 218 S C -0.656 174.079 174.600 0.224 0.000 1.151 218 S CA -0.872 57.496 58.200 0.280 0.000 1.082 218 S CB 1.984 65.371 63.200 0.311 0.000 1.019 218 S HN 0.690 nan 8.310 nan 0.000 0.492 219 E N 2.583 122.911 120.200 0.212 0.000 2.165 219 E HA 0.205 4.555 4.350 -0.000 0.000 0.266 219 E C -0.365 176.356 176.600 0.202 0.000 0.889 219 E CA -0.764 55.711 56.400 0.124 0.000 0.756 219 E CB 0.615 30.375 29.700 0.100 0.000 1.131 219 E HN 0.915 nan 8.360 nan 0.000 0.411 220 H N 3.157 122.304 119.070 0.129 0.000 2.505 220 H HA 0.511 5.067 4.556 -0.000 0.000 0.351 220 H C -0.842 174.557 175.328 0.118 0.000 1.151 220 H CA -0.673 55.428 56.048 0.087 0.000 1.339 220 H CB 1.364 31.146 29.762 0.034 0.000 1.483 220 H HN 0.363 nan 8.280 nan 0.000 0.558 221 K N 2.962 123.420 120.400 0.098 0.000 2.571 221 K HA 0.105 4.425 4.320 -0.000 0.000 0.252 221 K C 0.716 177.271 176.600 -0.075 0.000 0.956 221 K CA -0.599 55.616 56.287 -0.120 0.000 0.822 221 K CB 2.564 34.899 32.500 -0.276 0.000 1.286 221 K HN 0.708 nan 8.250 nan 0.000 0.439 222 M N 3.460 123.025 119.600 -0.058 0.000 2.108 222 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 222 M C -0.448 175.933 176.300 0.134 0.000 1.066 222 M CA 1.723 57.061 55.300 0.064 0.000 1.107 222 M CB 0.109 32.832 32.600 0.205 0.000 1.356 222 M HN 0.615 nan 8.290 nan 0.000 0.406 223 Y N -2.460 117.786 120.300 -0.090 0.000 2.713 223 Y HA 0.512 5.062 4.550 -0.000 0.000 0.335 223 Y C -1.118 174.708 175.900 -0.124 0.000 1.222 223 Y CA -1.708 56.333 58.100 -0.098 0.000 1.061 223 Y CB 0.268 38.733 38.460 0.009 0.000 1.314 223 Y HN 0.321 nan 8.280 nan 0.000 0.453 224 E N 1.675 121.746 120.200 -0.216 0.000 7.504 224 E HA -0.113 4.237 4.350 -0.000 0.000 0.337 224 E C -2.371 174.117 176.600 -0.187 0.000 0.701 224 E CA 0.461 56.653 56.400 -0.346 0.000 1.302 224 E CB 0.184 29.792 29.700 -0.154 0.000 0.927 224 E HN 0.659 nan 8.360 nan 0.000 0.263 225 P HA -0.017 nan 4.420 nan 0.000 0.230 225 P C 0.200 176.999 177.300 -0.835 0.000 1.158 225 P CA 1.129 63.974 63.100 -0.425 0.000 0.769 225 P CB 0.210 31.825 31.700 -0.141 0.000 0.807 226 A N -0.221 122.253 122.820 -0.577 0.000 2.320 226 A HA 0.422 4.742 4.320 -0.000 0.000 0.287 226 A C -0.055 177.226 177.584 -0.504 0.000 1.181 226 A CA -0.390 51.378 52.037 -0.448 0.000 0.831 226 A CB -0.261 18.625 19.000 -0.191 0.000 1.102 226 A HN -0.042 nan 8.150 nan 0.000 0.513 227 F N 1.129 121.112 119.950 0.055 0.000 2.653 227 F HA 0.199 4.726 4.527 -0.000 0.000 0.304 227 F C 0.924 176.748 175.800 0.040 0.000 1.092 227 F CA 0.110 58.136 58.000 0.043 0.000 1.279 227 F CB -0.076 38.923 39.000 -0.002 0.000 1.044 227 F HN 0.804 nan 8.300 nan 0.000 0.564 228 Y N -0.094 120.237 120.300 0.051 0.000 2.921 228 Y HA 0.359 4.909 4.550 -0.000 0.000 0.246 228 Y C 0.572 176.499 175.900 0.044 0.000 1.030 228 Y CA 0.298 58.420 58.100 0.037 0.000 1.338 228 Y CB 0.211 38.688 38.460 0.027 0.000 1.493 228 Y HN -0.146 nan 8.280 nan 0.000 0.452 229 S N -0.151 115.394 115.700 -0.258 0.000 2.569 229 S HA 0.755 5.225 4.470 -0.000 0.000 0.280 229 S C -1.065 173.441 174.600 -0.156 0.000 1.111 229 S CA -0.390 57.607 58.200 -0.338 0.000 0.887 229 S CB 2.167 65.212 63.200 -0.258 0.000 1.095 229 S HN 0.115 nan 8.310 nan 0.000 0.476 230 T N 2.218 116.649 114.554 -0.206 0.000 2.881 230 T HA 0.408 4.758 4.350 -0.000 0.000 0.290 230 T C 1.215 175.781 174.700 -0.223 0.000 1.000 230 T CA -0.619 61.378 62.100 -0.171 0.000 0.978 230 T CB 1.614 70.393 68.868 -0.147 0.000 0.997 230 T HN 0.528 nan 8.240 nan 0.000 0.443 231 V N 2.860 122.655 119.914 -0.199 0.000 2.255 231 V HA -0.086 4.034 4.120 -0.000 0.000 0.247 231 V C 1.311 177.164 176.094 -0.402 0.000 1.051 231 V CA 1.480 63.624 62.300 -0.260 0.000 1.018 231 V CB -0.270 31.436 31.823 -0.196 0.000 0.641 231 V HN 0.727 nan 8.190 nan 0.000 0.445 232 V N 3.079 122.783 119.914 -0.350 0.000 2.154 232 V HA 0.131 4.251 4.120 -0.000 0.000 0.265 232 V C 1.347 177.352 176.094 -0.148 0.000 1.293 232 V CA -0.019 62.108 62.300 -0.289 0.000 1.205 232 V CB 0.489 32.178 31.823 -0.223 0.000 1.306 232 V HN 0.626 nan 8.190 nan 0.000 0.479 233 Q N 2.021 121.698 119.800 -0.205 0.000 2.187 233 Q HA -0.033 4.307 4.340 -0.000 0.000 0.199 233 Q C 0.198 176.176 176.000 -0.037 0.000 0.957 233 Q CA 1.627 57.352 55.803 -0.130 0.000 0.857 233 Q CB 0.397 29.010 28.738 -0.208 0.000 0.929 233 Q HN 0.772 nan 8.270 nan 0.000 0.453 234 D N -2.025 118.312 120.400 -0.105 0.000 2.664 234 D HA 0.045 4.685 4.640 -0.000 0.000 0.292 234 D C 0.911 176.948 176.300 -0.439 0.000 1.214 234 D CA -0.520 53.400 54.000 -0.134 0.000 0.932 234 D CB -0.849 39.895 40.800 -0.093 0.000 1.420 234 D HN 0.149 nan 8.370 nan 0.000 0.471 235 W N 0.632 121.455 121.300 -0.794 0.000 2.392 235 W HA 0.077 4.737 4.660 0.000 0.000 0.279 235 W C 1.053 177.425 176.519 -0.246 0.000 1.225 235 W CA 1.142 58.077 57.345 -0.683 0.000 1.233 235 W CB -1.369 27.828 29.460 -0.438 0.000 1.122 235 W HN 0.449 nan 8.180 nan 0.000 0.561 236 G N 1.634 109.779 108.800 -1.092 0.000 2.453 236 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.215 236 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.215 236 G C 1.510 176.139 174.900 -0.452 0.000 1.201 236 G CA 2.300 46.798 45.100 -1.003 0.000 0.784 236 G HN 0.285 nan 8.290 nan 0.000 0.545 237 T N 0.985 115.305 114.554 -0.390 0.000 2.759 237 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 237 T C 2.344 176.975 174.700 -0.114 0.000 1.042 237 T CA 1.360 63.266 62.100 -0.323 0.000 1.140 237 T CB -0.290 68.279 68.868 -0.498 0.000 0.864 237 T HN 0.241 nan 8.240 nan 0.000 0.455 238 N N 0.389 119.039 118.700 -0.083 0.000 2.120 238 N HA -0.112 4.628 4.740 -0.000 0.000 0.188 238 N C 1.575 177.155 175.510 0.117 0.000 1.024 238 N CA 1.182 54.281 53.050 0.081 0.000 0.852 238 N CB -0.480 38.105 38.487 0.164 0.000 1.003 238 N HN 0.499 nan 8.380 nan 0.000 0.424 239 Y N 1.215 121.501 120.300 -0.024 0.000 2.145 239 Y HA -0.088 4.462 4.550 -0.000 0.000 0.286 239 Y C 2.169 178.077 175.900 0.014 0.000 1.145 239 Y CA 1.453 59.556 58.100 0.005 0.000 1.148 239 Y CB -0.480 37.911 38.460 -0.115 0.000 0.981 239 Y HN 0.052 nan 8.280 nan 0.000 0.507 240 L N -0.426 120.778 121.223 -0.032 0.000 2.079 240 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 240 L C 2.405 179.268 176.870 -0.013 0.000 1.081 240 L CA 1.534 56.360 54.840 -0.024 0.000 0.752 240 L CB -0.593 41.557 42.059 0.152 0.000 0.896 240 L HN 0.306 nan 8.230 nan 0.000 0.433 241 I N -0.257 120.378 120.570 0.108 0.000 2.113 241 I HA -0.287 3.883 4.170 -0.000 0.000 0.238 241 I C 2.844 178.967 176.117 0.010 0.000 1.070 241 I CA 1.268 62.648 61.300 0.133 0.000 1.332 241 I CB -0.521 37.652 38.000 0.289 0.000 1.044 241 I HN 0.187 nan 8.210 nan 0.000 0.402 242 A N 0.061 122.875 122.820 -0.010 0.000 1.892 242 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 242 A C 2.235 179.740 177.584 -0.131 0.000 1.188 242 A CA 2.177 54.200 52.037 -0.022 0.000 0.631 242 A CB -0.726 18.288 19.000 0.024 0.000 0.822 242 A HN 0.435 nan 8.150 nan 0.000 0.447 243 Q N -0.554 119.048 119.800 -0.330 0.000 2.167 243 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 243 Q C 2.003 177.895 176.000 -0.179 0.000 0.970 243 Q CA 2.357 57.973 55.803 -0.311 0.000 0.855 243 Q CB -0.735 27.675 28.738 -0.547 0.000 0.911 243 Q HN 0.616 nan 8.270 nan 0.000 0.438 244 T N 0.333 114.786 114.554 -0.168 0.000 2.809 244 T HA 0.016 4.366 4.350 -0.000 0.000 0.260 244 T C 1.697 176.274 174.700 -0.204 0.000 1.039 244 T CA 1.004 63.012 62.100 -0.153 0.000 1.141 244 T CB -0.156 68.626 68.868 -0.143 0.000 0.869 244 T HN 0.195 nan 8.240 nan 0.000 0.437 245 L N 0.286 121.380 121.223 -0.216 0.000 2.017 245 L HA 0.187 4.527 4.340 -0.000 0.000 0.208 245 L C 1.514 177.975 176.870 -0.681 0.000 1.073 245 L CA 0.997 55.600 54.840 -0.394 0.000 0.745 245 L CB -0.676 41.263 42.059 -0.200 0.000 0.894 245 L HN 0.522 nan 8.230 nan 0.000 0.432 246 G N -2.696 105.919 108.800 -0.310 0.000 2.369 246 G HA2 0.002 3.961 3.960 -0.000 0.000 0.307 246 G HA3 0.002 3.961 3.960 -0.000 0.000 0.307 246 G C -2.621 172.357 174.900 0.130 0.000 1.327 246 G CA -0.561 44.443 45.100 -0.160 0.000 0.963 246 G HN -0.258 nan 8.290 nan 0.000 0.590 247 P HA -0.033 nan 4.420 nan 0.000 0.217 247 P C 1.495 178.912 177.300 0.194 0.000 1.148 247 P CA 1.470 64.673 63.100 0.171 0.000 0.828 247 P CB 0.098 31.885 31.700 0.145 0.000 0.783 248 K N -1.248 119.306 120.400 0.257 0.000 2.426 248 K HA 0.226 4.546 4.320 -0.000 0.000 0.193 248 K C 0.660 177.335 176.600 0.125 0.000 1.028 248 K CA -0.095 56.257 56.287 0.108 0.000 1.047 248 K CB 0.156 32.589 32.500 -0.112 0.000 0.821 248 K HN 0.061 nan 8.250 nan 0.000 0.513 249 A N 1.788 124.780 122.820 0.286 0.000 2.260 249 A HA 0.316 4.636 4.320 -0.000 0.000 0.308 249 A C -0.494 177.225 177.584 0.225 0.000 1.254 249 A CA -0.406 51.777 52.037 0.243 0.000 0.874 249 A CB 0.520 19.689 19.000 0.282 0.000 1.153 249 A HN 0.110 nan 8.150 nan 0.000 0.527 250 Q N 0.449 120.431 119.800 0.304 0.000 2.605 250 Q HA 0.502 4.842 4.340 -0.000 0.000 0.296 250 Q C -1.329 174.892 176.000 0.368 0.000 1.056 250 Q CA -0.834 55.181 55.803 0.354 0.000 0.778 250 Q CB 2.199 31.194 28.738 0.428 0.000 1.497 250 Q HN 0.761 nan 8.270 nan 0.000 0.443 251 C N 1.283 120.734 119.300 0.252 0.000 2.341 251 C HA 0.584 5.044 4.460 -0.000 0.000 0.338 251 C C -0.162 174.828 174.990 0.000 0.000 1.257 251 C CA -0.681 58.451 59.018 0.189 0.000 1.883 251 C CB -0.321 27.566 27.740 0.245 0.000 2.334 251 C HN 0.551 nan 8.230 nan 0.000 0.524 252 L N 2.910 124.090 121.223 -0.072 0.000 2.307 252 L HA 0.549 4.889 4.340 -0.000 0.000 0.284 252 L C -0.562 176.080 176.870 -0.379 0.000 1.023 252 L CA -0.368 54.269 54.840 -0.338 0.000 0.810 252 L CB 1.459 43.249 42.059 -0.448 0.000 1.231 252 L HN 0.439 nan 8.230 nan 0.000 0.423 253 V N 2.489 122.054 119.914 -0.582 0.000 2.328 253 V HA 0.209 4.329 4.120 -0.000 0.000 0.278 253 V C -0.227 175.402 176.094 -0.776 0.000 1.021 253 V CA -0.556 61.345 62.300 -0.666 0.000 0.838 253 V CB 1.428 32.699 31.823 -0.920 0.000 0.999 253 V HN 0.614 nan 8.190 nan 0.000 0.447 254 D N 4.737 124.773 120.400 -0.606 0.000 2.329 254 D HA 0.151 4.791 4.640 -0.000 0.000 0.232 254 D C 1.043 177.175 176.300 -0.280 0.000 1.088 254 D CA -0.510 53.168 54.000 -0.537 0.000 0.835 254 D CB 1.709 41.860 40.800 -1.082 0.000 1.078 254 D HN 0.389 nan 8.370 nan 0.000 0.495 255 L N 4.319 125.523 121.223 -0.031 0.000 2.010 255 L HA -0.168 4.172 4.340 -0.000 0.000 0.219 255 L C 1.513 178.504 176.870 0.202 0.000 1.077 255 L CA 2.578 57.518 54.840 0.167 0.000 0.773 255 L CB -1.101 41.070 42.059 0.187 0.000 0.892 255 L HN 0.581 nan 8.230 nan 0.000 0.436 256 G N -2.229 106.619 108.800 0.080 0.000 3.124 256 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.212 256 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.212 256 G C 0.906 175.910 174.900 0.172 0.000 1.181 256 G CA -0.094 45.088 45.100 0.136 0.000 0.803 256 G HN 0.704 nan 8.290 nan 0.000 0.529 257 H N -0.183 118.777 119.070 -0.183 0.000 2.537 257 H HA 0.175 4.731 4.556 -0.000 0.000 0.295 257 H C 0.009 175.066 175.328 -0.452 0.000 1.054 257 H CA -0.460 55.364 56.048 -0.372 0.000 1.156 257 H CB 0.351 29.810 29.762 -0.504 0.000 1.468 257 H HN 0.353 nan 8.280 nan 0.000 0.551 258 H N -0.103 119.069 119.070 0.171 0.000 2.670 258 H HA 0.434 4.990 4.556 -0.000 0.000 0.361 258 H C 0.071 175.499 175.328 0.166 0.000 1.169 258 H CA -0.836 55.316 56.048 0.173 0.000 1.198 258 H CB 1.567 31.415 29.762 0.145 0.000 1.700 258 H HN 0.224 nan 8.280 nan 0.000 0.542 259 A N 2.282 125.267 122.820 0.274 0.000 2.466 259 A HA 0.219 4.539 4.320 -0.000 0.000 0.238 259 A C -2.139 175.550 177.584 0.176 0.000 1.074 259 A CA -1.003 51.157 52.037 0.205 0.000 0.774 259 A CB -0.671 18.417 19.000 0.147 0.000 1.015 259 A HN 0.405 nan 8.150 nan 0.000 0.498 260 P HA 0.043 nan 4.420 nan 0.000 0.264 260 P C 0.003 177.353 177.300 0.084 0.000 1.183 260 P CA 0.654 63.820 63.100 0.111 0.000 0.763 260 P CB 0.202 31.958 31.700 0.094 0.000 0.807 261 N N -1.338 117.402 118.700 0.066 0.000 2.863 261 N HA -0.140 4.600 4.740 -0.000 0.000 0.245 261 N C -0.373 175.159 175.510 0.037 0.000 1.001 261 N CA 1.200 54.277 53.050 0.044 0.000 0.901 261 N CB -2.372 36.137 38.487 0.038 0.000 1.124 261 N HN 0.386 nan 8.380 nan 0.000 0.582 262 T N 1.631 116.218 114.554 0.055 0.000 2.946 262 T HA -0.028 4.322 4.350 -0.000 0.000 0.311 262 T C 0.813 175.493 174.700 -0.033 0.000 1.063 262 T CA -0.074 62.044 62.100 0.031 0.000 1.139 262 T CB 0.572 69.483 68.868 0.073 0.000 0.994 262 T HN 0.151 nan 8.240 nan 0.000 0.547 263 N N 3.076 121.739 118.700 -0.060 0.000 2.555 263 N HA 0.118 4.858 4.740 -0.000 0.000 0.244 263 N C 1.011 176.415 175.510 -0.178 0.000 1.114 263 N CA -0.158 52.834 53.050 -0.096 0.000 0.963 263 N CB 0.010 38.449 38.487 -0.081 0.000 1.276 263 N HN 0.556 nan 8.380 nan 0.000 0.510 264 I N 1.828 122.275 120.570 -0.205 0.000 2.315 264 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 264 I C 2.218 178.210 176.117 -0.209 0.000 1.117 264 I CA 0.759 61.878 61.300 -0.303 0.000 1.404 264 I CB 0.010 37.846 38.000 -0.273 0.000 1.071 264 I HN 0.525 nan 8.210 nan 0.000 0.419 265 E N 1.434 121.544 120.200 -0.150 0.000 2.204 265 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 265 E C 2.088 178.590 176.600 -0.163 0.000 0.990 265 E CA 1.351 57.671 56.400 -0.133 0.000 0.821 265 E CB -0.647 28.962 29.700 -0.151 0.000 0.750 265 E HN 0.575 nan 8.360 nan 0.000 0.477 266 M N 0.878 120.360 119.600 -0.197 0.000 2.132 266 M HA -0.057 4.423 4.480 -0.000 0.000 0.263 266 M C 2.298 178.381 176.300 -0.361 0.000 1.065 266 M CA 1.263 56.430 55.300 -0.222 0.000 1.122 266 M CB -0.064 32.423 32.600 -0.189 0.000 1.365 266 M HN 0.005 nan 8.290 nan 0.000 0.411 267 I N -0.243 120.023 120.570 -0.507 0.000 2.208 267 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 267 I C 2.221 178.028 176.117 -0.515 0.000 1.097 267 I CA 1.131 61.918 61.300 -0.856 0.000 1.363 267 I CB -0.542 36.954 38.000 -0.839 0.000 1.051 267 I HN 0.177 nan 8.210 nan 0.000 0.413 268 V N 1.060 120.820 119.914 -0.257 0.000 2.295 268 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 268 V C 2.743 178.798 176.094 -0.065 0.000 1.049 268 V CA 2.102 64.362 62.300 -0.066 0.000 1.024 268 V CB -1.029 30.849 31.823 0.091 0.000 0.648 268 V HN 0.516 nan 8.190 nan 0.000 0.447 269 A N -0.246 122.506 122.820 -0.114 0.000 1.902 269 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 269 A C 2.363 179.906 177.584 -0.069 0.000 1.181 269 A CA 1.527 53.508 52.037 -0.092 0.000 0.623 269 A CB -0.448 18.489 19.000 -0.105 0.000 0.818 269 A HN 0.413 nan 8.150 nan 0.000 0.443 270 R N -0.398 120.016 120.500 -0.143 0.000 2.073 270 R HA -0.035 4.305 4.340 -0.000 0.000 0.234 270 R C 2.116 178.488 176.300 0.120 0.000 1.134 270 R CA 1.304 57.374 56.100 -0.051 0.000 0.952 270 R CB -1.021 29.073 30.300 -0.343 0.000 0.850 270 R HN 0.587 nan 8.270 nan 0.000 0.433 271 L N 0.398 121.642 121.223 0.035 0.000 2.083 271 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 271 L C 2.476 179.484 176.870 0.230 0.000 1.083 271 L CA 1.080 56.044 54.840 0.207 0.000 0.752 271 L CB -0.398 41.757 42.059 0.160 0.000 0.899 271 L HN 0.119 nan 8.230 nan 0.000 0.433 272 I N -0.468 120.187 120.570 0.142 0.000 2.252 272 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 272 I C 2.721 178.869 176.117 0.051 0.000 1.102 272 I CA 1.313 62.674 61.300 0.103 0.000 1.385 272 I CB -0.302 37.680 38.000 -0.031 0.000 1.064 272 I HN 0.389 nan 8.210 nan 0.000 0.414 273 Q N 1.056 120.880 119.800 0.040 0.000 2.135 273 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 273 Q C 1.437 177.322 176.000 -0.192 0.000 0.981 273 Q CA 1.917 57.673 55.803 -0.079 0.000 0.856 273 Q CB -0.040 28.666 28.738 -0.053 0.000 0.902 273 Q HN 0.483 nan 8.270 nan 0.000 0.425 274 F N -0.581 119.420 119.950 0.084 0.000 2.639 274 F HA 0.343 4.870 4.527 -0.000 0.000 0.300 274 F C 1.174 177.095 175.800 0.203 0.000 1.109 274 F CA 0.263 58.355 58.000 0.152 0.000 1.335 274 F CB 0.848 39.960 39.000 0.187 0.000 1.014 274 F HN 0.223 nan 8.300 nan 0.000 0.537 275 G N 0.838 109.790 108.800 0.255 0.000 2.258 275 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.274 275 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.274 275 G C 0.950 176.017 174.900 0.278 0.000 1.021 275 G CA 0.202 45.444 45.100 0.237 0.000 0.798 275 G HN 0.243 nan 8.290 nan 0.000 0.507 276 K N -0.847 119.750 120.400 0.327 0.000 2.537 276 K HA 0.278 4.598 4.320 -0.000 0.000 0.206 276 K C 0.507 177.263 176.600 0.259 0.000 1.041 276 K CA -0.567 55.904 56.287 0.308 0.000 1.090 276 K CB 0.649 33.375 32.500 0.376 0.000 0.833 276 K HN 0.390 nan 8.250 nan 0.000 0.493 277 L N 1.222 122.584 121.223 0.232 0.000 2.356 277 L HA 0.274 4.614 4.340 -0.000 0.000 0.282 277 L C 1.182 178.090 176.870 0.064 0.000 1.132 277 L CA 0.207 55.140 54.840 0.154 0.000 0.923 277 L CB 0.585 42.779 42.059 0.226 0.000 1.278 277 L HN 0.233 nan 8.230 nan 0.000 0.436 278 G N 3.017 111.799 108.800 -0.029 0.000 2.402 278 G HA2 0.356 4.316 3.960 -0.000 0.000 0.216 278 G HA3 0.356 4.316 3.960 -0.000 0.000 0.216 278 G C 0.587 175.118 174.900 -0.614 0.000 1.162 278 G CA 0.690 45.638 45.100 -0.253 0.000 0.777 278 G HN 0.967 nan 8.290 nan 0.000 0.539 279 G N -2.151 106.339 108.800 -0.517 0.000 2.342 279 G HA2 0.434 4.394 3.960 -0.000 0.000 0.297 279 G HA3 0.434 4.394 3.960 -0.000 0.000 0.297 279 G C -2.042 172.715 174.900 -0.238 0.000 1.313 279 G CA -0.929 43.958 45.100 -0.356 0.000 0.830 279 G HN 0.069 nan 8.290 nan 0.000 0.506 280 F N 0.150 120.031 119.950 -0.115 0.000 2.546 280 F HA 0.623 5.150 4.527 -0.000 0.000 0.320 280 F C 0.146 175.815 175.800 -0.218 0.000 1.076 280 F CA -0.483 57.329 58.000 -0.314 0.000 0.928 280 F CB 2.436 41.028 39.000 -0.680 0.000 1.189 280 F HN 0.406 nan 8.300 nan 0.000 0.465 281 H N 4.698 123.593 119.070 -0.293 0.000 2.725 281 H HA 0.267 4.823 4.556 -0.000 0.000 0.283 281 H C -0.969 174.284 175.328 -0.125 0.000 1.110 281 H CA -0.729 55.224 56.048 -0.158 0.000 1.289 281 H CB 0.729 30.364 29.762 -0.213 0.000 1.400 281 H HN 0.343 nan 8.280 nan 0.000 0.493 282 F N 3.294 123.380 119.950 0.226 0.000 2.429 282 F HA 0.096 4.623 4.527 -0.000 0.000 0.348 282 F C 0.698 176.550 175.800 0.088 0.000 1.109 282 F CA 0.069 58.165 58.000 0.161 0.000 1.232 282 F CB 0.717 39.791 39.000 0.123 0.000 1.157 282 F HN 0.719 nan 8.300 nan 0.000 0.564 283 N N -0.572 118.303 118.700 0.292 0.000 3.856 283 N HA 0.281 5.021 4.740 -0.000 0.000 0.237 283 N C -2.238 173.371 175.510 0.165 0.000 1.351 283 N CA -0.990 52.166 53.050 0.176 0.000 0.805 283 N CB 0.796 39.340 38.487 0.096 0.000 1.487 283 N HN 0.325 nan 8.380 nan 0.000 0.431 284 D N -1.613 118.861 120.400 0.124 0.000 2.531 284 D HA 0.826 5.466 4.640 -0.000 0.000 0.244 284 D C -1.280 175.078 176.300 0.096 0.000 1.090 284 D CA -0.031 54.037 54.000 0.114 0.000 0.989 284 D CB 2.109 42.972 40.800 0.106 0.000 1.433 284 D HN 0.845 nan 8.370 nan 0.000 0.492 285 S N -0.259 115.491 115.700 0.083 0.000 2.595 285 S HA 0.405 4.875 4.470 -0.000 0.000 0.270 285 S C -0.081 174.527 174.600 0.013 0.000 1.145 285 S CA -0.774 57.471 58.200 0.074 0.000 0.825 285 S CB 2.388 65.647 63.200 0.099 0.000 1.107 285 S HN 0.470 nan 8.310 nan 0.000 0.461 286 K N -0.841 119.527 120.400 -0.054 0.000 2.504 286 K HA 0.331 4.651 4.320 -0.000 0.000 0.203 286 K C 0.262 176.599 176.600 -0.439 0.000 1.350 286 K CA 0.021 56.123 56.287 -0.309 0.000 0.953 286 K CB 0.143 32.316 32.500 -0.543 0.000 1.243 286 K HN 0.678 nan 8.250 nan 0.000 0.534 287 Y N -0.655 119.706 120.300 0.102 0.000 2.576 287 Y HA 0.391 4.941 4.550 -0.000 0.000 0.282 287 Y C 1.430 177.425 175.900 0.158 0.000 1.139 287 Y CA 0.345 58.515 58.100 0.116 0.000 1.265 287 Y CB 0.553 39.078 38.460 0.108 0.000 1.376 287 Y HN 0.127 nan 8.280 nan 0.000 0.511 288 G N -0.982 108.011 108.800 0.321 0.000 3.100 288 G HA2 0.147 4.107 3.960 -0.000 0.000 0.174 288 G HA3 0.147 4.107 3.960 -0.000 0.000 0.174 288 G C -1.350 173.633 174.900 0.138 0.000 1.136 288 G CA -0.324 44.937 45.100 0.268 0.000 0.881 288 G HN -0.069 nan 8.290 nan 0.000 0.616 289 D N 0.825 121.239 120.400 0.024 0.000 2.713 289 D HA 0.242 4.882 4.640 -0.000 0.000 0.229 289 D C 0.487 176.817 176.300 0.050 0.000 1.136 289 D CA -0.305 53.701 54.000 0.011 0.000 1.010 289 D CB 0.004 40.721 40.800 -0.137 0.000 1.084 289 D HN 0.152 nan 8.370 nan 0.000 0.495 290 D N 1.008 121.468 120.400 0.100 0.000 2.264 290 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 290 D C 0.263 176.606 176.300 0.072 0.000 0.966 290 D CA 0.421 54.489 54.000 0.112 0.000 0.864 290 D CB -0.022 40.872 40.800 0.157 0.000 0.933 290 D HN 0.402 nan 8.370 nan 0.000 0.499 291 D N 0.004 120.437 120.400 0.055 0.000 2.708 291 D HA -0.181 4.459 4.640 -0.000 0.000 0.236 291 D C 0.026 176.333 176.300 0.011 0.000 1.146 291 D CA 0.379 54.392 54.000 0.022 0.000 0.662 291 D CB -1.313 39.483 40.800 -0.007 0.000 1.059 291 D HN 0.333 nan 8.370 nan 0.000 0.428 292 L N 0.039 121.294 121.223 0.054 0.000 2.468 292 L HA 0.208 4.548 4.340 -0.000 0.000 0.254 292 L C 0.983 177.903 176.870 0.083 0.000 1.171 292 L CA -0.663 54.217 54.840 0.067 0.000 0.809 292 L CB 0.410 42.522 42.059 0.088 0.000 1.155 292 L HN -0.183 nan 8.230 nan 0.000 0.473 293 D N 1.295 121.760 120.400 0.108 0.000 2.533 293 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 293 D C 0.196 176.561 176.300 0.107 0.000 1.137 293 D CA 0.267 54.341 54.000 0.124 0.000 0.867 293 D CB 0.612 41.480 40.800 0.113 0.000 1.170 293 D HN 0.589 nan 8.370 nan 0.000 0.474 294 A N 2.206 125.096 122.820 0.116 0.000 2.584 294 A HA 0.411 4.731 4.320 -0.000 0.000 0.239 294 A C 1.667 179.308 177.584 0.094 0.000 1.043 294 A CA 0.474 52.585 52.037 0.124 0.000 0.756 294 A CB -0.363 18.709 19.000 0.120 0.000 0.963 294 A HN 1.020 nan 8.150 nan 0.000 0.511 295 G N 0.894 109.761 108.800 0.110 0.000 2.175 295 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.265 295 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.265 295 G C 1.055 176.007 174.900 0.087 0.000 0.979 295 G CA 1.165 46.326 45.100 0.102 0.000 0.663 295 G HN 2.072 nan 8.290 nan 0.000 0.533 296 A N -0.731 122.137 122.820 0.080 0.000 2.119 296 A HA 0.482 4.802 4.320 -0.000 0.000 0.216 296 A C 2.165 179.789 177.584 0.066 0.000 1.152 296 A CA 1.760 53.838 52.037 0.068 0.000 0.708 296 A CB -0.107 18.935 19.000 0.069 0.000 0.805 296 A HN 0.501 nan 8.150 nan 0.000 0.460 297 I N -1.475 119.137 120.570 0.070 0.000 3.443 297 I HA 0.150 4.320 4.170 -0.000 0.000 0.277 297 I C 0.283 176.436 176.117 0.061 0.000 1.169 297 I CA 0.744 62.077 61.300 0.054 0.000 1.419 297 I CB -0.717 37.306 38.000 0.039 0.000 1.331 297 I HN 0.215 nan 8.210 nan 0.000 0.458 298 E N 2.473 122.720 120.200 0.080 0.000 3.108 298 E HA 0.192 4.542 4.350 -0.000 0.000 0.228 298 E C -1.785 174.896 176.600 0.135 0.000 1.176 298 E CA -1.444 55.014 56.400 0.097 0.000 0.881 298 E CB 1.738 31.484 29.700 0.077 0.000 1.354 298 E HN 0.127 nan 8.360 nan 0.000 0.400 299 P HA -0.214 nan 4.420 nan 0.000 0.218 299 P C 1.211 178.689 177.300 0.296 0.000 1.149 299 P CA 0.981 64.225 63.100 0.240 0.000 0.817 299 P CB 0.245 32.105 31.700 0.267 0.000 0.785 300 Y N 1.901 122.201 120.300 0.001 0.000 2.181 300 Y HA -0.133 4.417 4.550 -0.000 0.000 0.288 300 Y C 2.912 178.777 175.900 -0.058 0.000 1.146 300 Y CA 1.334 59.240 58.100 -0.324 0.000 1.164 300 Y CB -0.928 37.264 38.460 -0.446 0.000 0.982 300 Y HN -0.218 nan 8.280 nan 0.000 0.515 301 R N -0.307 120.192 120.500 -0.002 0.000 2.091 301 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 301 R C 2.196 178.480 176.300 -0.026 0.000 1.136 301 R CA 1.741 57.803 56.100 -0.063 0.000 0.959 301 R CB -0.657 29.648 30.300 0.009 0.000 0.856 301 R HN 0.423 nan 8.270 nan 0.000 0.437 302 L N 0.401 121.674 121.223 0.083 0.000 2.046 302 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 302 L C 1.977 178.961 176.870 0.190 0.000 1.077 302 L CA 1.658 56.590 54.840 0.153 0.000 0.747 302 L CB -0.753 41.425 42.059 0.199 0.000 0.896 302 L HN 0.254 nan 8.230 nan 0.000 0.432 303 F N -0.307 119.657 119.950 0.023 0.000 2.102 303 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 303 F C 2.028 177.778 175.800 -0.084 0.000 1.105 303 F CA 1.774 59.784 58.000 0.017 0.000 1.239 303 F CB -0.413 38.594 39.000 0.012 0.000 0.991 303 F HN 0.045 nan 8.300 nan 0.000 0.474 304 L N -0.488 120.496 121.223 -0.398 0.000 2.131 304 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 304 L C 2.378 179.036 176.870 -0.355 0.000 1.092 304 L CA 0.908 55.451 54.840 -0.495 0.000 0.759 304 L CB -0.852 40.953 42.059 -0.424 0.000 0.903 304 L HN 0.084 nan 8.230 nan 0.000 0.435 305 V N -0.787 118.975 119.914 -0.255 0.000 2.307 305 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 305 V C 2.198 178.087 176.094 -0.342 0.000 1.045 305 V CA 1.762 63.894 62.300 -0.281 0.000 1.024 305 V CB -0.516 31.091 31.823 -0.361 0.000 0.651 305 V HN 0.221 nan 8.190 nan 0.000 0.449 306 F N 0.898 120.678 119.950 -0.284 0.000 2.293 306 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 306 F C 2.270 177.910 175.800 -0.266 0.000 1.086 306 F CA 1.712 59.578 58.000 -0.224 0.000 1.375 306 F CB -0.556 38.318 39.000 -0.209 0.000 1.045 306 F HN 0.246 nan 8.300 nan 0.000 0.516 307 N N 0.321 118.829 118.700 -0.320 0.000 2.120 307 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 307 N C 1.742 177.145 175.510 -0.178 0.000 1.024 307 N CA 1.532 54.369 53.050 -0.356 0.000 0.852 307 N CB -0.099 38.056 38.487 -0.552 0.000 1.003 307 N HN 0.077 nan 8.380 nan 0.000 0.424 308 E N 0.267 120.366 120.200 -0.168 0.000 2.106 308 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 308 E C 2.132 178.704 176.600 -0.045 0.000 0.984 308 E CA 0.542 56.877 56.400 -0.109 0.000 0.806 308 E CB -0.309 29.329 29.700 -0.103 0.000 0.750 308 E HN 0.481 nan 8.360 nan 0.000 0.458 309 L N 0.310 121.535 121.223 0.003 0.000 2.046 309 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 309 L C 2.519 179.526 176.870 0.228 0.000 1.077 309 L CA 0.793 55.745 54.840 0.186 0.000 0.747 309 L CB -0.500 41.641 42.059 0.138 0.000 0.896 309 L HN -0.020 nan 8.230 nan 0.000 0.432 310 V N -0.196 119.817 119.914 0.165 0.000 2.427 310 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 310 V C 2.323 178.445 176.094 0.046 0.000 1.051 310 V CA 1.937 64.321 62.300 0.141 0.000 1.048 310 V CB -0.556 31.302 31.823 0.058 0.000 0.666 310 V HN 0.571 nan 8.190 nan 0.000 0.456 311 D N 0.523 120.913 120.400 -0.017 0.000 2.149 311 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 311 D C 2.060 178.307 176.300 -0.087 0.000 0.990 311 D CA 1.718 55.685 54.000 -0.053 0.000 0.839 311 D CB 0.300 41.055 40.800 -0.076 0.000 0.948 311 D HN 0.432 nan 8.370 nan 0.000 0.460 312 A N 0.991 123.723 122.820 -0.147 0.000 1.874 312 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 312 A C 2.126 179.595 177.584 -0.191 0.000 1.189 312 A CA 1.362 53.208 52.037 -0.319 0.000 0.615 312 A CB -0.622 17.916 19.000 -0.770 0.000 0.830 312 A HN 0.381 nan 8.150 nan 0.000 0.443 313 E N -0.056 120.154 120.200 0.017 0.000 2.331 313 E HA -0.110 4.240 4.350 -0.000 0.000 0.199 313 E C 1.729 178.387 176.600 0.096 0.000 1.008 313 E CA 1.002 57.510 56.400 0.180 0.000 0.843 313 E CB -0.154 29.740 29.700 0.324 0.000 0.761 313 E HN 0.550 nan 8.360 nan 0.000 0.507 314 A N 0.849 123.691 122.820 0.037 0.000 1.942 314 A HA 0.104 4.424 4.320 -0.000 0.000 0.209 314 A C 1.872 179.453 177.584 -0.005 0.000 1.214 314 A CA 0.138 52.188 52.037 0.021 0.000 0.686 314 A CB -0.009 18.995 19.000 0.008 0.000 0.871 314 A HN 0.084 nan 8.150 nan 0.000 0.460 315 R N -0.101 120.377 120.500 -0.036 0.000 2.362 315 R HA 0.123 4.463 4.340 -0.000 0.000 0.204 315 R C 1.406 177.680 176.300 -0.042 0.000 1.088 315 R CA 0.493 56.564 56.100 -0.047 0.000 1.121 315 R CB -0.476 29.779 30.300 -0.075 0.000 0.954 315 R HN 0.711 nan 8.270 nan 0.000 0.478 316 G N 0.508 109.297 108.800 -0.019 0.000 2.435 316 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.245 316 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.245 316 G C 0.491 175.383 174.900 -0.014 0.000 1.073 316 G CA 0.189 45.287 45.100 -0.003 0.000 0.638 316 G HN 0.241 nan 8.290 nan 0.000 0.521 317 V N 2.054 121.929 119.914 -0.065 0.000 3.711 317 V HA -0.156 3.964 4.120 -0.000 0.000 0.257 317 V C 1.239 177.331 176.094 -0.004 0.000 1.012 317 V CA 1.948 64.194 62.300 -0.091 0.000 1.083 317 V CB -1.055 30.604 31.823 -0.274 0.000 0.662 317 V HN 0.705 nan 8.190 nan 0.000 0.393 318 K N 3.079 123.491 120.400 0.020 0.000 2.219 318 K HA 0.491 4.811 4.320 -0.000 0.000 0.258 318 K C 1.246 177.894 176.600 0.079 0.000 1.008 318 K CA 0.393 56.710 56.287 0.050 0.000 0.928 318 K CB 0.395 32.926 32.500 0.051 0.000 0.983 318 K HN 0.954 nan 8.250 nan 0.000 0.484 319 G N 1.235 110.087 108.800 0.087 0.000 2.246 319 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.273 319 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.273 319 G C -0.679 174.306 174.900 0.142 0.000 1.055 319 G CA -0.085 45.090 45.100 0.125 0.000 0.851 319 G HN 0.433 nan 8.290 nan 0.000 0.500 320 F N 2.064 121.887 119.950 -0.211 0.000 2.564 320 F HA 0.553 5.080 4.527 -0.000 0.000 0.368 320 F C -0.078 175.462 175.800 -0.432 0.000 1.127 320 F CA -1.488 56.386 58.000 -0.209 0.000 1.170 320 F CB 0.791 39.707 39.000 -0.140 0.000 1.397 320 F HN 0.200 nan 8.300 nan 0.000 0.493 321 H N 4.814 123.693 119.070 -0.319 0.000 2.429 321 H HA 0.284 4.840 4.556 -0.000 0.000 0.231 321 H C -2.452 172.626 175.328 -0.417 0.000 1.416 321 H CA -1.637 54.205 56.048 -0.343 0.000 1.443 321 H CB 0.500 30.179 29.762 -0.139 0.000 1.591 321 H HN 0.378 nan 8.280 nan 0.000 0.507 322 P HA 0.071 nan 4.420 nan 0.000 0.265 322 P C -0.128 176.825 177.300 -0.579 0.000 1.193 322 P CA -0.116 62.655 63.100 -0.548 0.000 0.765 322 P CB 0.836 32.184 31.700 -0.587 0.000 0.823 323 A N 3.470 126.064 122.820 -0.376 0.000 2.415 323 A HA 0.206 4.526 4.320 -0.000 0.000 0.309 323 A C -0.331 177.174 177.584 -0.131 0.000 1.356 323 A CA -0.302 51.595 52.037 -0.233 0.000 0.998 323 A CB -0.827 18.126 19.000 -0.078 0.000 1.145 323 A HN 0.631 nan 8.150 nan 0.000 0.545 324 H N 1.672 120.772 119.070 0.050 0.000 2.580 324 H HA 0.556 5.112 4.556 -0.000 0.000 0.322 324 H C -0.019 175.433 175.328 0.207 0.000 1.082 324 H CA -0.100 56.073 56.048 0.209 0.000 1.383 324 H CB 1.258 31.227 29.762 0.345 0.000 1.450 324 H HN 0.752 nan 8.280 nan 0.000 0.505 325 M N 3.215 123.058 119.600 0.405 0.000 2.520 325 M HA 0.424 4.904 4.480 -0.000 0.000 0.283 325 M C -1.745 174.683 176.300 0.213 0.000 1.237 325 M CA -0.757 54.678 55.300 0.224 0.000 0.885 325 M CB 2.126 34.791 32.600 0.108 0.000 1.727 325 M HN 0.528 nan 8.290 nan 0.000 0.468 326 I N 2.319 122.943 120.570 0.090 0.000 2.353 326 I HA 0.291 4.461 4.170 -0.000 0.000 0.293 326 I C -0.858 175.195 176.117 -0.106 0.000 0.992 326 I CA -0.188 61.159 61.300 0.079 0.000 1.268 326 I CB 1.271 39.309 38.000 0.062 0.000 1.387 326 I HN 0.535 nan 8.210 nan 0.000 0.478 327 D N 6.677 127.031 120.400 -0.077 0.000 2.358 327 D HA 0.354 4.994 4.640 -0.000 0.000 0.253 327 D C -0.950 175.347 176.300 -0.005 0.000 1.288 327 D CA -0.227 53.727 54.000 -0.077 0.000 0.950 327 D CB 0.824 41.530 40.800 -0.156 0.000 1.197 327 D HN 0.487 nan 8.370 nan 0.000 0.550 328 Q N 0.520 120.291 119.800 -0.047 0.000 2.544 328 Q HA 0.613 4.953 4.340 -0.000 0.000 0.291 328 Q C -1.207 174.603 176.000 -0.318 0.000 1.068 328 Q CA -1.115 54.601 55.803 -0.145 0.000 0.785 328 Q CB 2.390 31.046 28.738 -0.137 0.000 1.481 328 Q HN 0.217 nan 8.270 nan 0.000 0.430 329 S N -0.122 115.350 115.700 -0.381 0.000 2.519 329 S HA 0.463 4.933 4.470 -0.000 0.000 0.309 329 S C -1.758 172.566 174.600 -0.459 0.000 1.100 329 S CA -0.552 57.453 58.200 -0.326 0.000 1.059 329 S CB 0.352 63.506 63.200 -0.076 0.000 1.008 329 S HN 0.575 nan 8.310 nan 0.000 0.478 330 H N 3.901 123.008 119.070 0.062 0.000 2.691 330 H HA 0.419 4.975 4.556 -0.000 0.000 0.281 330 H C 0.406 175.779 175.328 0.075 0.000 1.121 330 H CA -0.802 55.280 56.048 0.057 0.000 1.254 330 H CB 0.640 30.422 29.762 0.033 0.000 1.390 330 H HN 0.478 nan 8.280 nan 0.000 0.491 331 N N 1.758 120.547 118.700 0.147 0.000 2.405 331 N HA -0.044 4.696 4.740 -0.000 0.000 0.175 331 N C 0.931 176.541 175.510 0.167 0.000 1.051 331 N CA 0.644 53.789 53.050 0.158 0.000 0.899 331 N CB 0.937 39.516 38.487 0.152 0.000 1.000 331 N HN 0.483 nan 8.380 nan 0.000 0.451 332 V N -2.285 117.711 119.914 0.137 0.000 3.017 332 V HA 0.461 4.580 4.120 -0.000 0.000 0.354 332 V C -0.064 176.082 176.094 0.086 0.000 1.389 332 V CA -0.325 62.035 62.300 0.100 0.000 1.163 332 V CB -0.216 31.649 31.823 0.070 0.000 1.178 332 V HN 0.147 nan 8.190 nan 0.000 0.547 333 T N -3.771 110.845 114.554 0.104 0.000 2.816 333 T HA 0.459 4.809 4.350 -0.000 0.000 0.299 333 T C -1.225 173.515 174.700 0.066 0.000 1.230 333 T CA -0.332 61.813 62.100 0.076 0.000 1.007 333 T CB 2.149 71.056 68.868 0.065 0.000 1.289 333 T HN 0.179 nan 8.240 nan 0.000 0.508 334 D N 1.338 121.763 120.400 0.041 0.000 2.358 334 D HA 0.221 4.861 4.640 -0.000 0.000 0.258 334 D C -1.500 174.754 176.300 -0.075 0.000 1.223 334 D CA -1.824 52.196 54.000 0.034 0.000 0.886 334 D CB 1.411 42.263 40.800 0.087 0.000 1.120 334 D HN 0.121 nan 8.370 nan 0.000 0.482 335 P HA -0.154 nan 4.420 nan 0.000 0.217 335 P C 1.623 178.671 177.300 -0.419 0.000 1.151 335 P CA 1.067 63.984 63.100 -0.305 0.000 0.849 335 P CB 0.250 31.900 31.700 -0.084 0.000 0.787 336 I N -0.588 119.812 120.570 -0.282 0.000 2.226 336 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 336 I C 2.248 178.077 176.117 -0.480 0.000 1.100 336 I CA 1.535 62.606 61.300 -0.381 0.000 1.374 336 I CB -0.664 37.072 38.000 -0.440 0.000 1.057 336 I HN 0.034 nan 8.210 nan 0.000 0.413 337 E N 0.416 120.330 120.200 -0.475 0.000 2.077 337 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 337 E C 2.351 178.811 176.600 -0.233 0.000 0.989 337 E CA 1.405 57.591 56.400 -0.356 0.000 0.800 337 E CB -0.118 29.465 29.700 -0.195 0.000 0.746 337 E HN 0.340 nan 8.360 nan 0.000 0.452 338 S N 1.078 116.633 115.700 -0.243 0.000 2.356 338 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 338 S C 2.051 176.543 174.600 -0.180 0.000 1.032 338 S CA 0.808 58.899 58.200 -0.181 0.000 1.005 338 S CB -0.184 62.903 63.200 -0.189 0.000 0.867 338 S HN 0.168 nan 8.310 nan 0.000 0.449 339 L N 0.866 121.905 121.223 -0.307 0.000 2.083 339 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 339 L C 2.167 178.961 176.870 -0.127 0.000 1.083 339 L CA 1.000 55.734 54.840 -0.178 0.000 0.752 339 L CB -0.499 41.433 42.059 -0.212 0.000 0.899 339 L HN 0.319 nan 8.230 nan 0.000 0.433 340 I N -0.090 120.379 120.570 -0.169 0.000 2.142 340 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 340 I C 2.117 178.184 176.117 -0.083 0.000 1.078 340 I CA 1.314 62.535 61.300 -0.131 0.000 1.343 340 I CB -0.321 37.574 38.000 -0.174 0.000 1.046 340 I HN 0.336 nan 8.210 nan 0.000 0.405 341 N N 0.347 119.000 118.700 -0.079 0.000 2.309 341 N HA -0.102 4.638 4.740 -0.000 0.000 0.182 341 N C 1.957 177.449 175.510 -0.029 0.000 1.018 341 N CA 1.022 54.045 53.050 -0.046 0.000 0.876 341 N CB -0.188 38.279 38.487 -0.034 0.000 0.972 341 N HN 0.196 nan 8.380 nan 0.000 0.434 342 S N 0.595 116.282 115.700 -0.021 0.000 2.355 342 S HA -0.020 4.450 4.470 -0.000 0.000 0.222 342 S C 2.078 176.665 174.600 -0.021 0.000 1.031 342 S CA 1.030 59.233 58.200 0.005 0.000 0.993 342 S CB -0.308 62.920 63.200 0.047 0.000 0.859 342 S HN 0.484 nan 8.310 nan 0.000 0.453 343 A N 2.129 124.935 122.820 -0.024 0.000 1.940 343 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 343 A C 1.862 179.423 177.584 -0.038 0.000 1.176 343 A CA 1.667 53.692 52.037 -0.020 0.000 0.631 343 A CB -0.853 18.144 19.000 -0.005 0.000 0.814 343 A HN 0.621 nan 8.150 nan 0.000 0.446 344 N N -0.654 118.021 118.700 -0.042 0.000 2.084 344 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 344 N C 1.627 177.087 175.510 -0.083 0.000 1.030 344 N CA 1.129 54.148 53.050 -0.051 0.000 0.849 344 N CB -0.151 38.312 38.487 -0.040 0.000 1.012 344 N HN 0.363 nan 8.380 nan 0.000 0.423 345 E N 1.093 121.249 120.200 -0.073 0.000 2.160 345 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 345 E C 2.010 178.512 176.600 -0.164 0.000 0.991 345 E CA 0.703 57.055 56.400 -0.081 0.000 0.810 345 E CB -0.154 29.528 29.700 -0.029 0.000 0.742 345 E HN 0.491 nan 8.360 nan 0.000 0.466 346 I N 0.280 120.721 120.570 -0.215 0.000 2.252 346 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 346 I C 2.554 178.293 176.117 -0.631 0.000 1.102 346 I CA 0.895 61.949 61.300 -0.411 0.000 1.385 346 I CB -0.170 37.596 38.000 -0.391 0.000 1.064 346 I HN -0.025 nan 8.210 nan 0.000 0.414 347 R N 0.193 120.463 120.500 -0.383 0.000 2.115 347 R HA -0.105 4.235 4.340 -0.000 0.000 0.226 347 R C 2.419 178.520 176.300 -0.331 0.000 1.100 347 R CA 0.777 56.649 56.100 -0.380 0.000 0.980 347 R CB -0.206 30.017 30.300 -0.128 0.000 0.875 347 R HN 0.304 nan 8.270 nan 0.000 0.445 348 R N 0.618 120.964 120.500 -0.256 0.000 2.070 348 R HA -0.122 4.218 4.340 -0.000 0.000 0.233 348 R C 2.129 178.302 176.300 -0.212 0.000 1.137 348 R CA 1.639 57.628 56.100 -0.186 0.000 0.945 348 R CB -0.248 29.978 30.300 -0.123 0.000 0.845 348 R HN 0.180 nan 8.270 nan 0.000 0.430 349 A N 0.188 122.841 122.820 -0.279 0.000 1.883 349 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 349 A C 2.039 179.356 177.584 -0.445 0.000 1.186 349 A CA 1.510 53.424 52.037 -0.205 0.000 0.624 349 A CB -0.989 17.889 19.000 -0.204 0.000 0.822 349 A HN 0.629 nan 8.150 nan 0.000 0.444 350 Y N 0.755 120.330 120.300 -1.209 0.000 2.097 350 Y HA -0.163 4.387 4.550 -0.000 0.000 0.282 350 Y C 2.703 178.331 175.900 -0.454 0.000 1.152 350 Y CA 1.459 58.897 58.100 -1.104 0.000 1.136 350 Y CB -0.886 36.657 38.460 -1.527 0.000 0.975 350 Y HN 0.309 nan 8.280 nan 0.000 0.498 351 A N 0.306 122.852 122.820 -0.457 0.000 1.892 351 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 351 A C 2.126 179.574 177.584 -0.227 0.000 1.188 351 A CA 2.218 54.039 52.037 -0.361 0.000 0.631 351 A CB -0.894 17.987 19.000 -0.198 0.000 0.822 351 A HN 0.721 nan 8.150 nan 0.000 0.447 352 Q N -0.812 118.930 119.800 -0.097 0.000 2.124 352 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 352 Q C 2.397 178.551 176.000 0.256 0.000 0.977 352 Q CA 1.310 57.156 55.803 0.072 0.000 0.850 352 Q CB -0.400 28.416 28.738 0.129 0.000 0.901 352 Q HN 0.695 nan 8.270 nan 0.000 0.429 353 A N 0.601 123.532 122.820 0.186 0.000 1.972 353 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 353 A C 1.928 179.479 177.584 -0.056 0.000 1.169 353 A CA 1.051 53.112 52.037 0.039 0.000 0.635 353 A CB -0.348 18.576 19.000 -0.128 0.000 0.810 353 A HN 0.223 nan 8.150 nan 0.000 0.446 354 L N -0.470 120.633 121.223 -0.200 0.000 2.201 354 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 354 L C 2.153 178.964 176.870 -0.098 0.000 1.105 354 L CA 1.157 55.868 54.840 -0.215 0.000 0.775 354 L CB -0.576 41.258 42.059 -0.375 0.000 0.913 354 L HN 0.364 nan 8.230 nan 0.000 0.440 355 L N -1.472 119.720 121.223 -0.051 0.000 2.478 355 L HA 0.010 4.349 4.340 -0.000 0.000 0.223 355 L C 0.577 177.462 176.870 0.026 0.000 1.140 355 L CA -0.338 54.490 54.840 -0.019 0.000 0.842 355 L CB -0.201 41.844 42.059 -0.023 0.000 0.953 355 L HN -0.096 nan 8.230 nan 0.000 0.452 356 V N 1.145 121.099 119.914 0.066 0.000 2.599 356 V HA -0.116 4.004 4.120 -0.000 0.000 0.300 356 V C 0.512 176.634 176.094 0.048 0.000 1.034 356 V CA 0.095 62.450 62.300 0.091 0.000 1.115 356 V CB 0.682 32.571 31.823 0.109 0.000 0.934 356 V HN 0.142 nan 8.190 nan 0.000 0.485 357 D N 5.511 125.944 120.400 0.056 0.000 2.435 357 D HA 0.075 4.715 4.640 -0.000 0.000 0.230 357 D C 1.398 177.717 176.300 0.032 0.000 1.215 357 D CA -0.311 53.711 54.000 0.036 0.000 0.947 357 D CB 0.460 41.287 40.800 0.045 0.000 1.048 357 D HN 0.350 nan 8.370 nan 0.000 0.512 358 R N 2.771 123.279 120.500 0.014 0.000 2.103 358 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 358 R C 1.786 178.079 176.300 -0.011 0.000 1.142 358 R CA 1.360 57.462 56.100 0.003 0.000 0.960 358 R CB -0.913 29.382 30.300 -0.008 0.000 0.858 358 R HN 0.487 nan 8.270 nan 0.000 0.439 359 A N 1.138 123.944 122.820 -0.023 0.000 1.873 359 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 359 A C 2.438 179.971 177.584 -0.084 0.000 1.186 359 A CA 1.777 53.786 52.037 -0.048 0.000 0.616 359 A CB -0.618 18.355 19.000 -0.046 0.000 0.823 359 A HN 0.347 nan 8.150 nan 0.000 0.442 360 A N -0.461 122.315 122.820 -0.074 0.000 1.877 360 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 360 A C 2.147 179.652 177.584 -0.131 0.000 1.186 360 A CA 1.770 53.715 52.037 -0.153 0.000 0.620 360 A CB -0.690 18.310 19.000 0.000 0.000 0.822 360 A HN 0.691 nan 8.150 nan 0.000 0.443 361 L N -0.025 121.228 121.223 0.050 0.000 2.012 361 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 361 L C 2.621 179.523 176.870 0.053 0.000 1.073 361 L CA 2.679 57.597 54.840 0.130 0.000 0.748 361 L CB -0.847 41.270 42.059 0.095 0.000 0.891 361 L HN 0.367 nan 8.230 nan 0.000 0.431 362 S N -0.647 115.046 115.700 -0.012 0.000 2.370 362 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 362 S C 2.067 176.633 174.600 -0.056 0.000 1.033 362 S CA 1.366 59.550 58.200 -0.027 0.000 1.011 362 S CB -0.937 62.239 63.200 -0.040 0.000 0.852 362 S HN 0.677 nan 8.310 nan 0.000 0.457 363 G N -0.476 108.238 108.800 -0.143 0.000 2.421 363 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 363 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 363 G C 1.150 175.956 174.900 -0.158 0.000 1.171 363 G CA 0.983 45.958 45.100 -0.209 0.000 0.775 363 G HN 0.600 nan 8.290 nan 0.000 0.543 364 Y N 0.988 121.288 120.300 0.001 0.000 2.293 364 Y HA -0.038 4.512 4.550 -0.000 0.000 0.291 364 Y C 3.099 179.000 175.900 0.001 0.000 1.137 364 Y CA 1.095 59.197 58.100 0.003 0.000 1.202 364 Y CB -0.441 38.023 38.460 0.007 0.000 0.990 364 Y HN 0.298 nan 8.280 nan 0.000 0.537 365 Q N -0.197 119.682 119.800 0.133 0.000 2.046 365 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 365 Q C 1.977 178.004 176.000 0.045 0.000 0.975 365 Q CA 1.263 57.110 55.803 0.074 0.000 0.836 365 Q CB -0.096 28.668 28.738 0.043 0.000 0.896 365 Q HN 0.392 nan 8.270 nan 0.000 0.428 366 E N 0.949 121.163 120.200 0.023 0.000 2.153 366 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 366 E C 1.066 177.678 176.600 0.020 0.000 0.988 366 E CA 0.934 57.340 56.400 0.009 0.000 0.811 366 E CB -0.060 29.634 29.700 -0.011 0.000 0.746 366 E HN 0.367 nan 8.360 nan 0.000 0.466 367 D N 0.136 120.559 120.400 0.038 0.000 2.340 367 D HA 0.005 4.645 4.640 -0.000 0.000 0.220 367 D C -0.241 176.095 176.300 0.061 0.000 1.039 367 D CA -0.014 54.016 54.000 0.050 0.000 0.866 367 D CB -0.245 40.597 40.800 0.070 0.000 0.913 367 D HN 0.153 nan 8.370 nan 0.000 0.523 368 N N 1.343 120.080 118.700 0.061 0.000 2.735 368 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 368 N C -0.673 174.870 175.510 0.055 0.000 1.083 368 N CA 0.413 53.493 53.050 0.050 0.000 0.703 368 N CB -0.658 37.847 38.487 0.031 0.000 1.005 368 N HN 0.085 nan 8.380 nan 0.000 0.550 369 D N 0.023 120.477 120.400 0.091 0.000 2.564 369 D HA 0.443 5.083 4.640 -0.000 0.000 0.226 369 D C 1.111 177.414 176.300 0.004 0.000 1.149 369 D CA 0.292 54.328 54.000 0.060 0.000 0.994 369 D CB 0.154 41.042 40.800 0.146 0.000 1.029 369 D HN 0.379 nan 8.370 nan 0.000 0.517 370 A N 3.450 126.270 122.820 -0.001 0.000 1.917 370 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 370 A C 2.095 179.651 177.584 -0.047 0.000 1.182 370 A CA 1.054 53.085 52.037 -0.010 0.000 0.633 370 A CB -0.502 18.496 19.000 -0.003 0.000 0.819 370 A HN 0.604 nan 8.150 nan 0.000 0.448 371 L N -1.409 119.772 121.223 -0.071 0.000 2.017 371 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 371 L C 2.474 179.241 176.870 -0.172 0.000 1.073 371 L CA 1.772 56.556 54.840 -0.095 0.000 0.745 371 L CB -0.215 41.793 42.059 -0.084 0.000 0.894 371 L HN 0.280 nan 8.230 nan 0.000 0.432 372 M N -0.589 118.821 119.600 -0.317 0.000 2.319 372 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 372 M C 2.408 178.382 176.300 -0.543 0.000 1.068 372 M CA 1.488 56.410 55.300 -0.630 0.000 1.118 372 M CB -1.502 30.296 32.600 -1.337 0.000 1.395 372 M HN 0.464 nan 8.290 nan 0.000 0.435 373 A N -0.610 122.049 122.820 -0.269 0.000 1.858 373 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 373 A C 2.389 179.981 177.584 0.014 0.000 1.190 373 A CA 2.420 54.454 52.037 -0.005 0.000 0.617 373 A CB -1.220 17.820 19.000 0.066 0.000 0.827 373 A HN 0.426 nan 8.150 nan 0.000 0.443 374 T N -1.097 113.454 114.554 -0.006 0.000 2.867 374 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 374 T C 1.890 176.614 174.700 0.039 0.000 1.057 374 T CA 1.797 63.923 62.100 0.044 0.000 1.136 374 T CB -0.228 68.662 68.868 0.037 0.000 0.874 374 T HN 0.578 nan 8.240 nan 0.000 0.466 375 E N 0.409 120.589 120.200 -0.033 0.000 2.152 375 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 375 E C 2.145 178.748 176.600 0.003 0.000 0.983 375 E CA 1.396 57.774 56.400 -0.037 0.000 0.818 375 E CB -0.625 29.018 29.700 -0.095 0.000 0.758 375 E HN 0.387 nan 8.360 nan 0.000 0.467 376 T N 0.685 115.251 114.554 0.021 0.000 2.821 376 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 376 T C 1.469 176.247 174.700 0.131 0.000 1.046 376 T CA 1.032 63.189 62.100 0.095 0.000 1.139 376 T CB -0.192 68.783 68.868 0.178 0.000 0.871 376 T HN 0.073 nan 8.240 nan 0.000 0.454 377 L N 0.965 122.289 121.223 0.167 0.000 2.056 377 L HA 0.047 4.387 4.340 -0.000 0.000 0.207 377 L C 2.373 179.385 176.870 0.237 0.000 1.078 377 L CA 1.628 56.643 54.840 0.291 0.000 0.749 377 L CB -0.510 41.755 42.059 0.343 0.000 0.901 377 L HN -0.009 nan 8.230 nan 0.000 0.433 378 K N -0.349 120.140 120.400 0.147 0.000 2.147 378 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 378 K C 2.169 178.774 176.600 0.007 0.000 1.049 378 K CA 1.034 57.359 56.287 0.064 0.000 0.936 378 K CB -0.265 32.236 32.500 0.003 0.000 0.722 378 K HN 0.331 nan 8.250 nan 0.000 0.446 379 R N 0.143 120.652 120.500 0.015 0.000 2.120 379 R HA -0.074 4.265 4.340 -0.000 0.000 0.234 379 R C 2.239 178.521 176.300 -0.030 0.000 1.123 379 R CA 1.238 57.329 56.100 -0.014 0.000 0.975 379 R CB -0.226 30.078 30.300 0.006 0.000 0.866 379 R HN 0.154 nan 8.270 nan 0.000 0.446 380 A N 0.180 123.004 122.820 0.008 0.000 1.874 380 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 380 A C 1.923 179.424 177.584 -0.139 0.000 1.189 380 A CA 0.755 52.792 52.037 0.001 0.000 0.615 380 A CB -0.681 18.415 19.000 0.161 0.000 0.830 380 A HN 0.384 nan 8.150 nan 0.000 0.443 381 Y N 0.948 120.956 120.300 -0.487 0.000 2.207 381 Y HA -0.178 4.372 4.550 -0.000 0.000 0.287 381 Y C 2.355 178.037 175.900 -0.363 0.000 1.156 381 Y CA 1.944 59.605 58.100 -0.733 0.000 1.182 381 Y CB -0.247 37.646 38.460 -0.944 0.000 0.979 381 Y HN 0.230 nan 8.280 nan 0.000 0.521 382 R N -0.359 119.928 120.500 -0.357 0.000 2.237 382 R HA -0.028 4.312 4.340 -0.000 0.000 0.219 382 R C 0.380 176.499 176.300 -0.302 0.000 1.080 382 R CA 0.965 56.851 56.100 -0.357 0.000 0.995 382 R CB -0.574 29.613 30.300 -0.189 0.000 0.875 382 R HN 0.169 nan 8.270 nan 0.000 0.462 383 T N 1.745 116.148 114.554 -0.251 0.000 2.817 383 T HA -0.035 4.314 4.350 -0.000 0.000 0.295 383 T C -0.168 174.406 174.700 -0.210 0.000 0.958 383 T CA -0.078 61.907 62.100 -0.192 0.000 1.157 383 T CB 0.820 69.602 68.868 -0.144 0.000 0.898 383 T HN 0.004 nan 8.240 nan 0.000 0.536 384 D N 3.506 123.801 120.400 -0.176 0.000 2.359 384 D HA 0.067 4.707 4.640 -0.000 0.000 0.250 384 D C 1.117 177.341 176.300 -0.128 0.000 1.264 384 D CA -0.621 53.285 54.000 -0.157 0.000 0.911 384 D CB 0.335 41.060 40.800 -0.126 0.000 1.056 384 D HN 0.356 nan 8.370 nan 0.000 0.499 385 V N 1.652 121.489 119.914 -0.128 0.000 3.577 385 V HA 0.135 4.255 4.120 -0.000 0.000 0.294 385 V C 1.667 177.721 176.094 -0.066 0.000 1.317 385 V CA 0.044 62.283 62.300 -0.102 0.000 1.169 385 V CB 0.057 31.814 31.823 -0.111 0.000 1.011 385 V HN 0.279 nan 8.190 nan 0.000 0.426 386 E N 2.617 122.780 120.200 -0.062 0.000 2.097 386 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 386 E C -0.157 176.447 176.600 0.006 0.000 1.000 386 E CA 2.421 58.801 56.400 -0.034 0.000 0.804 386 E CB -1.478 28.200 29.700 -0.038 0.000 0.740 386 E HN 0.513 nan 8.360 nan 0.000 0.454 387 P HA -0.124 nan 4.420 nan 0.000 0.215 387 P C 1.281 178.709 177.300 0.213 0.000 1.153 387 P CA 1.443 64.611 63.100 0.115 0.000 0.853 387 P CB -0.070 31.687 31.700 0.095 0.000 0.788 388 I N -1.905 118.748 120.570 0.139 0.000 2.179 388 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 388 I C 1.991 178.173 176.117 0.109 0.000 1.088 388 I CA 1.238 62.648 61.300 0.183 0.000 1.357 388 I CB -0.752 37.277 38.000 0.048 0.000 1.051 388 I HN -0.098 nan 8.210 nan 0.000 0.409 389 L N 0.918 122.167 121.223 0.044 0.000 2.017 389 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 389 L C 2.728 179.612 176.870 0.024 0.000 1.073 389 L CA 2.187 57.039 54.840 0.020 0.000 0.745 389 L CB -1.130 40.922 42.059 -0.012 0.000 0.894 389 L HN 0.202 nan 8.230 nan 0.000 0.432 390 A N -0.895 121.940 122.820 0.025 0.000 1.902 390 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 390 A C 2.313 179.893 177.584 -0.007 0.000 1.181 390 A CA 1.703 53.746 52.037 0.010 0.000 0.623 390 A CB -0.525 18.483 19.000 0.012 0.000 0.818 390 A HN 0.392 nan 8.150 nan 0.000 0.443 391 E N 0.396 120.591 120.200 -0.010 0.000 2.106 391 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 391 E C 1.977 178.538 176.600 -0.065 0.000 0.984 391 E CA 1.530 57.864 56.400 -0.109 0.000 0.806 391 E CB -0.499 29.020 29.700 -0.301 0.000 0.750 391 E HN 0.449 nan 8.360 nan 0.000 0.458 392 A N 0.814 123.634 122.820 0.000 0.000 1.902 392 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 392 A C 2.244 179.839 177.584 0.019 0.000 1.181 392 A CA 1.673 53.722 52.037 0.020 0.000 0.623 392 A CB -0.464 18.564 19.000 0.047 0.000 0.818 392 A HN 0.213 nan 8.150 nan 0.000 0.443 393 R N -1.119 119.390 120.500 0.016 0.000 2.075 393 R HA -0.090 4.249 4.340 -0.000 0.000 0.232 393 R C 2.545 178.846 176.300 0.002 0.000 1.126 393 R CA 1.421 57.532 56.100 0.018 0.000 0.963 393 R CB -0.326 29.982 30.300 0.012 0.000 0.858 393 R HN 0.547 nan 8.270 nan 0.000 0.435 394 R N 1.159 121.647 120.500 -0.020 0.000 2.081 394 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 394 R C 2.047 178.327 176.300 -0.033 0.000 1.131 394 R CA 1.490 57.569 56.100 -0.034 0.000 0.960 394 R CB 0.010 30.275 30.300 -0.058 0.000 0.856 394 R HN 0.163 nan 8.270 nan 0.000 0.436 395 R N -0.574 119.905 120.500 -0.036 0.000 2.235 395 R HA -0.033 4.307 4.340 -0.000 0.000 0.213 395 R C 1.407 177.708 176.300 0.001 0.000 1.059 395 R CA 1.506 57.590 56.100 -0.027 0.000 0.997 395 R CB 0.085 30.364 30.300 -0.034 0.000 0.884 395 R HN 0.351 nan 8.270 nan 0.000 0.462 396 T N -3.599 110.965 114.554 0.016 0.000 3.134 396 T HA 0.291 4.641 4.350 -0.000 0.000 0.260 396 T C 1.093 175.814 174.700 0.036 0.000 1.027 396 T CA 0.244 62.367 62.100 0.039 0.000 0.913 396 T CB 1.102 70.011 68.868 0.069 0.000 1.046 396 T HN 0.313 nan 8.240 nan 0.000 0.553 397 G N 0.062 108.872 108.800 0.016 0.000 2.131 397 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.223 397 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.223 397 G C 0.378 175.285 174.900 0.012 0.000 0.990 397 G CA -0.304 44.803 45.100 0.012 0.000 0.671 397 G HN 1.005 nan 8.290 nan 0.000 0.521 398 G N -0.727 108.080 108.800 0.011 0.000 2.642 398 G HA2 0.881 4.841 3.960 -0.000 0.000 0.291 398 G HA3 0.881 4.841 3.960 -0.000 0.000 0.291 398 G C 0.122 175.020 174.900 -0.004 0.000 1.345 398 G CA 0.137 45.243 45.100 0.010 0.000 1.043 398 G HN 1.508 nan 8.290 nan 0.000 0.528 399 A N -1.216 121.604 122.820 -0.001 0.000 2.312 399 A HA 0.577 4.897 4.320 -0.000 0.000 0.326 399 A C 1.162 178.742 177.584 -0.006 0.000 1.172 399 A CA -0.494 51.541 52.037 -0.005 0.000 0.821 399 A CB 1.600 20.602 19.000 0.003 0.000 1.166 399 A HN 0.678 nan 8.150 nan 0.000 0.493 400 V N 1.140 121.048 119.914 -0.010 0.000 2.287 400 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 400 V C 0.847 176.938 176.094 -0.004 0.000 1.053 400 V CA 2.393 64.687 62.300 -0.010 0.000 1.027 400 V CB -0.309 31.506 31.823 -0.014 0.000 0.646 400 V HN 0.886 nan 8.190 nan 0.000 0.447 401 D N -1.284 119.116 120.400 -0.001 0.000 2.438 401 D HA 0.241 4.881 4.640 -0.000 0.000 0.257 401 D C -1.917 174.390 176.300 0.012 0.000 1.148 401 D CA -2.130 51.872 54.000 0.004 0.000 0.902 401 D CB 1.882 42.685 40.800 0.006 0.000 1.062 401 D HN 0.059 nan 8.370 nan 0.000 0.518 402 P HA -0.187 nan 4.420 nan 0.000 0.214 402 P C 1.649 178.974 177.300 0.041 0.000 1.169 402 P CA 0.768 63.875 63.100 0.011 0.000 0.908 402 P CB 0.470 32.161 31.700 -0.015 0.000 0.791 403 V N -0.229 119.702 119.914 0.029 0.000 2.407 403 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 403 V C 2.448 178.615 176.094 0.122 0.000 1.055 403 V CA 2.173 64.515 62.300 0.071 0.000 1.049 403 V CB -1.772 30.068 31.823 0.028 0.000 0.662 403 V HN 0.108 nan 8.190 nan 0.000 0.455 404 A N -0.323 122.539 122.820 0.069 0.000 1.933 404 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 404 A C 2.398 180.016 177.584 0.057 0.000 1.175 404 A CA 2.491 54.561 52.037 0.055 0.000 0.628 404 A CB -0.880 18.137 19.000 0.029 0.000 0.814 404 A HN 0.499 nan 8.150 nan 0.000 0.444 405 T N -1.700 112.890 114.554 0.061 0.000 2.777 405 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 405 T C 1.777 176.521 174.700 0.075 0.000 1.040 405 T CA 1.497 63.627 62.100 0.049 0.000 1.141 405 T CB -0.413 68.477 68.868 0.038 0.000 0.868 405 T HN 0.579 nan 8.240 nan 0.000 0.444 406 Y N 2.314 122.607 120.300 -0.012 0.000 2.128 406 Y HA -0.171 4.379 4.550 -0.000 0.000 0.284 406 Y C 2.419 178.337 175.900 0.029 0.000 1.154 406 Y CA 1.394 59.491 58.100 -0.005 0.000 1.149 406 Y CB -0.165 38.282 38.460 -0.022 0.000 0.976 406 Y HN 0.016 nan 8.280 nan 0.000 0.505 407 R N -0.268 120.242 120.500 0.016 0.000 2.115 407 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 407 R C 2.461 178.714 176.300 -0.079 0.000 1.100 407 R CA 0.914 56.972 56.100 -0.070 0.000 0.980 407 R CB -0.513 29.814 30.300 0.046 0.000 0.875 407 R HN 0.425 nan 8.270 nan 0.000 0.445 408 A N 1.046 123.845 122.820 -0.035 0.000 2.015 408 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 408 A C 2.154 179.712 177.584 -0.043 0.000 1.163 408 A CA 1.655 53.675 52.037 -0.029 0.000 0.646 408 A CB -0.341 18.652 19.000 -0.010 0.000 0.806 408 A HN 0.406 nan 8.150 nan 0.000 0.448 409 S N -1.575 114.087 115.700 -0.063 0.000 2.461 409 S HA 0.292 4.762 4.470 -0.000 0.000 0.228 409 S C 1.589 176.156 174.600 -0.056 0.000 1.005 409 S CA 1.227 59.400 58.200 -0.045 0.000 0.942 409 S CB -0.581 62.605 63.200 -0.024 0.000 0.776 409 S HN 1.910 nan 8.310 nan 0.000 0.514 410 G N 0.333 109.062 108.800 -0.118 0.000 2.153 410 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.252 410 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.252 410 G C 0.264 175.098 174.900 -0.109 0.000 0.994 410 G CA 0.494 45.528 45.100 -0.110 0.000 0.698 410 G HN 0.611 nan 8.290 nan 0.000 0.521 411 Y N 0.986 121.117 120.300 -0.281 0.000 2.114 411 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 411 Y C 2.809 178.629 175.900 -0.134 0.000 1.165 411 Y CA 2.958 60.939 58.100 -0.198 0.000 1.148 411 Y CB -0.198 38.135 38.460 -0.212 0.000 0.972 411 Y HN 0.342 nan 8.280 nan 0.000 0.504 412 R N 0.882 121.319 120.500 -0.105 0.000 2.083 412 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 412 R C 2.277 178.518 176.300 -0.097 0.000 1.137 412 R CA 1.827 57.910 56.100 -0.029 0.000 0.951 412 R CB -1.249 29.093 30.300 0.070 0.000 0.851 412 R HN 0.420 nan 8.270 nan 0.000 0.434 413 A N 0.735 123.497 122.820 -0.098 0.000 1.972 413 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 413 A C 2.264 179.782 177.584 -0.108 0.000 1.169 413 A CA 1.598 53.588 52.037 -0.079 0.000 0.635 413 A CB -0.643 18.319 19.000 -0.063 0.000 0.810 413 A HN 0.453 nan 8.150 nan 0.000 0.446 414 R N 0.235 120.635 120.500 -0.167 0.000 2.070 414 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 414 R C 2.081 178.252 176.300 -0.215 0.000 1.138 414 R CA 2.445 58.430 56.100 -0.191 0.000 0.936 414 R CB -0.676 29.477 30.300 -0.245 0.000 0.839 414 R HN 0.491 nan 8.270 nan 0.000 0.429 415 V N -1.219 118.491 119.914 -0.339 0.000 2.626 415 V HA 0.002 4.122 4.120 -0.000 0.000 0.252 415 V C 2.325 178.350 176.094 -0.115 0.000 1.067 415 V CA 1.572 63.725 62.300 -0.245 0.000 1.081 415 V CB -1.014 30.630 31.823 -0.299 0.000 0.686 415 V HN 0.422 nan 8.190 nan 0.000 0.468 416 A N 0.745 123.507 122.820 -0.097 0.000 1.969 416 A HA 0.211 4.531 4.320 -0.000 0.000 0.218 416 A C 2.323 179.885 177.584 -0.037 0.000 1.169 416 A CA 1.795 53.806 52.037 -0.044 0.000 0.635 416 A CB -0.763 18.219 19.000 -0.030 0.000 0.810 416 A HN 0.979 nan 8.150 nan 0.000 0.445 417 A N -0.709 122.079 122.820 -0.053 0.000 2.238 417 A HA 0.142 4.462 4.320 -0.000 0.000 0.208 417 A C 1.530 179.093 177.584 -0.034 0.000 1.177 417 A CA 0.959 52.973 52.037 -0.038 0.000 0.804 417 A CB -0.186 18.789 19.000 -0.042 0.000 0.823 417 A HN 0.620 nan 8.150 nan 0.000 0.482 418 E N -0.700 119.475 120.200 -0.041 0.000 2.465 418 E HA 0.110 4.460 4.350 -0.000 0.000 0.209 418 E C 0.076 176.669 176.600 -0.012 0.000 0.951 418 E CA -0.118 56.265 56.400 -0.028 0.000 0.997 418 E CB 0.499 30.176 29.700 -0.039 0.000 1.025 418 E HN 0.427 nan 8.360 nan 0.000 0.500 419 R N 2.290 122.783 120.500 -0.011 0.000 2.604 419 R HA 0.335 4.675 4.340 -0.000 0.000 0.287 419 R C -2.417 173.889 176.300 0.009 0.000 0.970 419 R CA -2.046 54.057 56.100 0.006 0.000 0.946 419 R CB 0.678 30.985 30.300 0.012 0.000 1.127 419 R HN -0.059 nan 8.270 nan 0.000 0.473 420 P HA 0.007 nan 4.420 nan 0.000 0.268 420 P C -0.645 176.666 177.300 0.017 0.000 1.208 420 P CA -0.157 62.952 63.100 0.016 0.000 0.777 420 P CB 0.641 32.352 31.700 0.019 0.000 0.875 421 A N 2.627 125.457 122.820 0.017 0.000 2.406 421 A HA 0.397 4.717 4.320 -0.000 0.000 0.243 421 A C 0.433 178.031 177.584 0.023 0.000 1.082 421 A CA 0.025 52.075 52.037 0.021 0.000 0.786 421 A CB -0.223 18.789 19.000 0.020 0.000 1.029 421 A HN 0.558 nan 8.150 nan 0.000 0.495 422 S N -1.075 114.642 115.700 0.028 0.000 2.607 422 S HA 0.620 5.090 4.470 -0.000 0.000 0.303 422 S C -0.340 174.279 174.600 0.030 0.000 1.086 422 S CA -0.327 57.889 58.200 0.027 0.000 0.995 422 S CB 1.648 64.867 63.200 0.031 0.000 1.084 422 S HN 1.393 nan 8.310 nan 0.000 0.507 423 V N -0.052 119.875 119.914 0.023 0.000 2.459 423 V HA 0.926 5.046 4.120 -0.000 0.000 0.295 423 V C 0.204 176.306 176.094 0.014 0.000 1.029 423 V CA -1.174 61.140 62.300 0.024 0.000 0.874 423 V CB 0.611 32.444 31.823 0.016 0.000 0.985 423 V HN 0.989 nan 8.190 nan 0.000 0.438 424 A N 3.540 126.378 122.820 0.029 0.000 2.445 424 A HA 0.840 5.160 4.320 -0.000 0.000 0.242 424 A C 0.710 178.259 177.584 -0.058 0.000 1.075 424 A CA 0.567 52.599 52.037 -0.008 0.000 0.777 424 A CB 0.223 19.273 19.000 0.084 0.000 1.013 424 A HN 2.067 nan 8.150 nan 0.000 0.493 425 G N -0.572 108.143 108.800 -0.142 0.000 2.721 425 G HA2 0.633 4.593 3.960 -0.000 0.000 0.296 425 G HA3 0.633 4.593 3.960 -0.000 0.000 0.296 425 G C -0.070 174.734 174.900 -0.160 0.000 1.383 425 G CA -0.057 44.977 45.100 -0.110 0.000 0.788 425 G HN 1.244 nan 8.290 nan 0.000 0.500 426 G N -1.497 107.251 108.800 -0.088 0.000 2.557 426 G HA2 0.622 4.582 3.960 -0.000 0.000 0.292 426 G HA3 0.622 4.582 3.960 -0.000 0.000 0.292 426 G C 0.416 175.276 174.900 -0.068 0.000 1.237 426 G CA 0.330 45.389 45.100 -0.068 0.000 0.978 426 G HN 1.047 nan 8.290 nan 0.000 0.498 427 G N -1.844 106.925 108.800 -0.051 0.000 2.642 427 G HA2 0.450 4.410 3.960 -0.000 0.000 0.291 427 G HA3 0.450 4.410 3.960 -0.000 0.000 0.291 427 G C 1.009 175.877 174.900 -0.053 0.000 1.345 427 G CA 0.128 45.194 45.100 -0.058 0.000 1.043 427 G HN 1.024 nan 8.290 nan 0.000 0.528 428 G N -0.738 108.035 108.800 -0.045 0.000 2.807 428 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.207 428 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.207 428 G C 1.383 176.254 174.900 -0.048 0.000 1.151 428 G CA 0.299 45.384 45.100 -0.025 0.000 0.800 428 G HN 0.495 nan 8.290 nan 0.000 0.523 429 I N 0.152 120.657 120.570 -0.108 0.000 2.264 429 I HA 0.009 4.179 4.170 -0.000 0.000 0.248 429 I C 1.180 177.268 176.117 -0.048 0.000 1.111 429 I CA 1.127 62.348 61.300 -0.132 0.000 1.382 429 I CB 0.084 37.936 38.000 -0.248 0.000 1.060 429 I HN 0.309 nan 8.210 nan 0.000 0.418 430 I N 0.000 120.556 120.570 -0.023 0.000 2.984 430 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 430 I CA 0.000 61.301 61.300 0.001 0.000 1.566 430 I CB 0.000 38.009 38.000 0.014 0.000 1.214 430 I HN 0.000 nan 8.210 nan 0.000 0.494