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 1p1k_1_B DATA FIRST_RESID 10 DATA SEQUENCE TSVKVVTDKC TYKDNELLTK YSYENAVVTK TASGRFDVTP TVQDYVFKLD DATA SEQUENCE LKKPEKLGIM LIGLGGNNGS TLVASVLANK HNVEFQTKEG VKQPNYFGSM DATA SEQUENCE TQCSTLKLGI DAEGNDVYAP FNSLLPMVSP NDFVVSGWDI NNADLYEAMQ DATA SEQUENCE RSQVLEYDLQ QRLKAKMSLV KPLPSIYYPD FIAANQDERA NNCINLDEKG DATA SEQUENCE NVTTRGKWTH LQRIRRDIQN FKEENALDKV IVLWTANTER YVEVSPGVND DATA SEQUENCE TMENLLQSIK NDHEEIAPST IFAAASILEG VPYINGSPQN TFVPGLVQLA DATA SEQUENCE EHEGTFIAGD DLKSGQTKLK SVLAQFLVDA GIKPVSIASY NHLGNNDGYN DATA SEQUENCE LSAPKQFRSK EIXXXXVIDD IIASNDILYN DKLGKKVDHC IVIKYMKPVG DATA SEQUENCE DSKVAMDEYY SELMLGGHNR ISIHNVCEDS LLATPLIIDL LVMTEFCTRV DATA SEQUENCE SYKKVXXXXX XXXKFENFYP VLTFLSYWLK APLTRPGFHP VNGLNKQRTA DATA SEQUENCE LENFLRLLIG LPSQNELRFE ERLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.704 174.700 0.008 0.000 1.109 10 T CA 0.000 62.106 62.100 0.011 0.000 1.349 10 T CB 0.000 68.878 68.868 0.017 0.000 0.612 11 S N 2.443 118.144 115.700 0.002 0.000 2.596 11 S HA 0.869 5.345 4.470 0.010 0.000 0.270 11 S C -1.439 173.156 174.600 -0.009 0.000 1.155 11 S CA -0.832 57.367 58.200 -0.002 0.000 0.827 11 S CB 1.715 64.914 63.200 -0.001 0.000 1.130 11 S HN 0.780 nan 8.310 nan 0.000 0.467 12 V N 1.257 121.165 119.914 -0.011 0.000 2.540 12 V HA 0.767 4.893 4.120 0.010 0.000 0.302 12 V C -0.747 175.341 176.094 -0.009 0.000 1.035 12 V CA -0.570 61.719 62.300 -0.017 0.000 0.873 12 V CB 1.735 33.539 31.823 -0.032 0.000 0.992 12 V HN 0.978 nan 8.190 nan 0.000 0.428 13 K N 3.850 124.242 120.400 -0.014 0.000 2.559 13 K HA 0.627 4.954 4.320 0.010 0.000 0.249 13 K C -1.389 175.208 176.600 -0.005 0.000 0.958 13 K CA -0.278 56.001 56.287 -0.013 0.000 0.901 13 K CB 1.581 34.063 32.500 -0.031 0.000 1.124 13 K HN 0.432 nan 8.250 nan 0.000 0.437 14 V N 4.910 124.832 119.914 0.014 0.000 2.439 14 V HA 0.318 4.444 4.120 0.010 0.000 0.282 14 V C -0.140 175.971 176.094 0.028 0.000 1.039 14 V CA -0.983 61.327 62.300 0.016 0.000 0.913 14 V CB 1.465 33.300 31.823 0.020 0.000 0.983 14 V HN 0.586 nan 8.190 nan 0.000 0.460 15 V N 2.146 122.071 119.914 0.018 0.000 2.322 15 V HA 0.721 4.847 4.120 0.010 0.000 0.258 15 V C -0.039 176.074 176.094 0.031 0.000 1.074 15 V CA 0.174 62.488 62.300 0.022 0.000 0.909 15 V CB 0.509 32.338 31.823 0.010 0.000 1.090 15 V HN 0.979 nan 8.190 nan 0.000 0.486 16 T N 2.454 117.037 114.554 0.048 0.000 2.956 16 T HA 0.414 4.770 4.350 0.010 0.000 0.312 16 T C 0.319 175.056 174.700 0.062 0.000 1.151 16 T CA 0.183 62.313 62.100 0.051 0.000 1.024 16 T CB 2.015 70.915 68.868 0.053 0.000 1.140 16 T HN 0.823 nan 8.240 nan 0.000 0.473 17 D N 2.659 123.091 120.400 0.054 0.000 2.349 17 D HA 0.055 4.702 4.640 0.010 0.000 0.224 17 D C 1.174 177.513 176.300 0.065 0.000 1.029 17 D CA 0.309 54.343 54.000 0.057 0.000 0.879 17 D CB 0.093 40.920 40.800 0.045 0.000 0.906 17 D HN 0.624 nan 8.370 nan 0.000 0.528 18 K N -0.534 119.909 120.400 0.071 0.000 2.366 18 K HA 0.092 4.418 4.320 0.010 0.000 0.198 18 K C 0.103 176.751 176.600 0.079 0.000 1.044 18 K CA 0.300 56.637 56.287 0.083 0.000 0.973 18 K CB 0.195 32.753 32.500 0.098 0.000 0.767 18 K HN 0.150 nan 8.250 nan 0.000 0.475 19 C N 1.806 121.153 119.300 0.077 0.000 2.379 19 C HA 0.446 4.913 4.460 0.010 0.000 0.323 19 C C 0.176 175.230 174.990 0.107 0.000 1.262 19 C CA -0.957 58.095 59.018 0.057 0.000 1.581 19 C CB 0.969 28.752 27.740 0.072 0.000 2.221 19 C HN 0.341 nan 8.230 nan 0.000 0.497 20 T N 0.275 114.849 114.554 0.033 0.000 2.916 20 T HA 0.648 5.005 4.350 0.010 0.000 0.298 20 T C -1.319 173.399 174.700 0.030 0.000 1.031 20 T CA -0.500 61.677 62.100 0.128 0.000 0.993 20 T CB 0.927 69.849 68.868 0.089 0.000 1.045 20 T HN 0.450 nan 8.240 nan 0.000 0.454 21 Y N 1.132 121.440 120.300 0.013 0.000 2.360 21 Y HA 0.735 5.291 4.550 0.010 0.000 0.337 21 Y C 0.451 176.355 175.900 0.006 0.000 1.039 21 Y CA -1.219 56.884 58.100 0.005 0.000 1.109 21 Y CB 1.928 40.388 38.460 0.000 0.000 1.201 21 Y HN 0.805 nan 8.280 nan 0.000 0.458 22 K N 2.679 123.149 120.400 0.117 0.000 2.695 22 K HA 0.283 4.609 4.320 0.010 0.000 0.255 22 K C -1.606 175.022 176.600 0.046 0.000 1.016 22 K CA -0.371 55.960 56.287 0.073 0.000 0.928 22 K CB 0.509 33.039 32.500 0.050 0.000 1.235 22 K HN 0.647 nan 8.250 nan 0.000 0.467 23 D N 3.199 123.629 120.400 0.049 0.000 2.809 23 D HA -0.151 4.495 4.640 0.010 0.000 0.234 23 D C -0.915 175.403 176.300 0.029 0.000 1.111 23 D CA 1.378 55.397 54.000 0.031 0.000 0.726 23 D CB -1.352 39.459 40.800 0.017 0.000 1.089 23 D HN 0.937 nan 8.370 nan 0.000 0.436 24 N N -0.920 117.812 118.700 0.055 0.000 2.754 24 N HA -0.234 4.513 4.740 0.010 0.000 0.248 24 N C -0.562 174.961 175.510 0.020 0.000 1.093 24 N CA 1.532 54.615 53.050 0.055 0.000 0.699 24 N CB -0.415 38.090 38.487 0.031 0.000 1.016 24 N HN 0.532 nan 8.380 nan 0.000 0.552 25 E N -0.123 120.081 120.200 0.008 0.000 2.292 25 E HA 0.660 5.016 4.350 0.010 0.000 0.272 25 E C -1.567 174.946 176.600 -0.144 0.000 0.881 25 E CA -0.915 55.442 56.400 -0.070 0.000 0.754 25 E CB 1.282 30.939 29.700 -0.071 0.000 1.201 25 E HN 0.205 nan 8.360 nan 0.000 0.425 26 L N 4.534 125.613 121.223 -0.240 0.000 2.322 26 L HA 0.554 4.900 4.340 0.010 0.000 0.281 26 L C -1.810 174.909 176.870 -0.253 0.000 1.014 26 L CA -0.595 54.000 54.840 -0.408 0.000 0.815 26 L CB 1.114 42.862 42.059 -0.518 0.000 1.247 26 L HN 0.466 nan 8.230 nan 0.000 0.421 27 L N 4.975 126.078 121.223 -0.201 0.000 2.319 27 L HA 0.568 4.914 4.340 0.010 0.000 0.281 27 L C -0.455 176.410 176.870 -0.008 0.000 1.005 27 L CA -0.174 54.637 54.840 -0.049 0.000 0.828 27 L CB 1.491 43.562 42.059 0.021 0.000 1.227 27 L HN 0.669 nan 8.230 nan 0.000 0.415 28 T N 3.139 117.744 114.554 0.085 0.000 2.861 28 T HA 0.428 4.784 4.350 0.010 0.000 0.287 28 T C -0.080 174.766 174.700 0.244 0.000 1.003 28 T CA -0.760 61.418 62.100 0.130 0.000 0.977 28 T CB 2.246 71.172 68.868 0.096 0.000 0.996 28 T HN 0.329 nan 8.240 nan 0.000 0.448 29 K N 2.197 122.724 120.400 0.212 0.000 2.172 29 K HA 0.501 4.828 4.320 0.010 0.000 0.276 29 K C -1.288 175.521 176.600 0.349 0.000 1.013 29 K CA -0.734 55.694 56.287 0.235 0.000 0.913 29 K CB 1.222 33.809 32.500 0.144 0.000 1.055 29 K HN 0.674 nan 8.250 nan 0.000 0.461 30 Y N 0.525 120.979 120.300 0.258 0.000 2.358 30 Y HA 0.126 4.682 4.550 0.010 0.000 0.324 30 Y C -1.109 174.984 175.900 0.323 0.000 1.123 30 Y CA -0.575 57.703 58.100 0.297 0.000 1.067 30 Y CB 1.911 40.621 38.460 0.417 0.000 1.230 30 Y HN 0.564 nan 8.280 nan 0.000 0.429 31 S N 6.656 122.081 115.700 -0.459 0.000 2.404 31 S HA 0.248 4.724 4.470 0.010 0.000 0.309 31 S C -1.275 172.982 174.600 -0.571 0.000 1.076 31 S CA -0.345 57.666 58.200 -0.315 0.000 1.095 31 S CB -0.190 62.905 63.200 -0.175 0.000 0.972 31 S HN 0.609 nan 8.310 nan 0.000 0.484 32 Y N 4.597 124.719 120.300 -0.295 0.000 2.383 32 Y HA 0.433 4.989 4.550 0.010 0.000 0.344 32 Y C 0.096 176.021 175.900 0.041 0.000 0.986 32 Y CA -0.310 57.770 58.100 -0.034 0.000 1.175 32 Y CB 0.476 39.207 38.460 0.451 0.000 1.152 32 Y HN 0.616 nan 8.280 nan 0.000 0.511 33 E N 5.347 125.260 120.200 -0.478 0.000 2.227 33 E HA 0.407 4.763 4.350 0.010 0.000 0.268 33 E C -0.985 175.228 176.600 -0.646 0.000 0.990 33 E CA -0.920 55.225 56.400 -0.425 0.000 0.856 33 E CB 1.971 31.542 29.700 -0.215 0.000 1.159 33 E HN 0.841 nan 8.360 nan 0.000 0.401 34 N N -0.450 118.030 118.700 -0.368 0.000 3.427 34 N HA 0.573 5.319 4.740 0.010 0.000 0.313 34 N C -2.158 173.293 175.510 -0.099 0.000 1.491 34 N CA -0.491 52.412 53.050 -0.245 0.000 0.870 34 N CB 1.198 39.538 38.487 -0.244 0.000 1.763 34 N HN 0.423 nan 8.380 nan 0.000 0.502 35 A N 0.438 123.236 122.820 -0.037 0.000 2.604 35 A HA 0.600 4.927 4.320 0.010 0.000 0.295 35 A C -1.730 175.868 177.584 0.023 0.000 1.067 35 A CA -0.366 51.666 52.037 -0.007 0.000 0.683 35 A CB 1.487 20.479 19.000 -0.014 0.000 1.281 35 A HN 0.251 nan 8.150 nan 0.000 0.407 36 V N 1.357 121.292 119.914 0.034 0.000 2.417 36 V HA 0.578 4.705 4.120 0.010 0.000 0.291 36 V C -0.329 175.797 176.094 0.053 0.000 1.024 36 V CA -0.443 61.887 62.300 0.050 0.000 0.861 36 V CB 1.430 33.286 31.823 0.055 0.000 0.985 36 V HN 0.724 nan 8.190 nan 0.000 0.436 37 V N 3.654 123.607 119.914 0.066 0.000 2.715 37 V HA 0.772 4.899 4.120 0.010 0.000 0.310 37 V C 0.066 176.229 176.094 0.115 0.000 1.054 37 V CA -0.475 61.882 62.300 0.096 0.000 0.928 37 V CB 2.247 34.129 31.823 0.098 0.000 1.007 37 V HN 1.003 nan 8.190 nan 0.000 0.437 38 T N 0.383 115.017 114.554 0.133 0.000 3.066 38 T HA 0.404 4.761 4.350 0.010 0.000 0.318 38 T C -0.805 173.947 174.700 0.087 0.000 0.979 38 T CA -0.801 61.359 62.100 0.100 0.000 1.025 38 T CB 0.964 69.867 68.868 0.059 0.000 1.002 38 T HN 0.638 nan 8.240 nan 0.000 0.453 39 K N 4.311 124.749 120.400 0.063 0.000 2.278 39 K HA 0.295 4.621 4.320 0.010 0.000 0.289 39 K C 1.028 177.557 176.600 -0.118 0.000 1.080 39 K CA -0.332 55.880 56.287 -0.125 0.000 0.934 39 K CB -0.006 32.358 32.500 -0.227 0.000 1.093 39 K HN 0.857 nan 8.250 nan 0.000 0.459 40 T N 1.351 115.837 114.554 -0.114 0.000 2.724 40 T HA 0.025 4.382 4.350 0.010 0.000 0.324 40 T C 1.550 176.194 174.700 -0.094 0.000 1.071 40 T CA 0.010 62.063 62.100 -0.078 0.000 1.061 40 T CB 0.963 69.794 68.868 -0.063 0.000 0.990 40 T HN 0.575 nan 8.240 nan 0.000 0.543 41 A N 1.767 124.550 122.820 -0.061 0.000 1.884 41 A HA -0.128 4.198 4.320 0.010 0.000 0.219 41 A C 2.570 180.111 177.584 -0.071 0.000 1.197 41 A CA 2.658 54.662 52.037 -0.055 0.000 0.637 41 A CB -1.694 17.285 19.000 -0.035 0.000 0.827 41 A HN 1.506 nan 8.150 nan 0.000 0.450 42 S N -1.055 114.603 115.700 -0.071 0.000 2.641 42 S HA 0.307 4.784 4.470 0.010 0.000 0.239 42 S C 1.315 175.847 174.600 -0.113 0.000 0.972 42 S CA 1.065 59.222 58.200 -0.073 0.000 0.954 42 S CB -1.031 62.136 63.200 -0.055 0.000 0.767 42 S HN 2.117 nan 8.310 nan 0.000 0.539 43 G N 1.087 109.785 108.800 -0.170 0.000 2.160 43 G HA2 -0.266 3.700 3.960 0.010 0.000 0.244 43 G HA3 -0.266 3.700 3.960 0.010 0.000 0.244 43 G C 0.001 174.644 174.900 -0.429 0.000 1.022 43 G CA 0.006 44.931 45.100 -0.290 0.000 0.741 43 G HN 0.625 nan 8.290 nan 0.000 0.508 44 R N -0.225 120.083 120.500 -0.321 0.000 2.312 44 R HA 0.562 4.908 4.340 0.010 0.000 0.311 44 R C -0.709 175.418 176.300 -0.288 0.000 1.004 44 R CA -0.902 55.051 56.100 -0.244 0.000 0.902 44 R CB 0.135 30.378 30.300 -0.094 0.000 1.073 44 R HN 0.013 nan 8.270 nan 0.000 0.457 45 F N 3.274 123.231 119.950 0.011 0.000 2.390 45 F HA 0.224 4.757 4.527 0.010 0.000 0.361 45 F C 0.603 176.409 175.800 0.011 0.000 1.124 45 F CA -0.206 57.801 58.000 0.012 0.000 1.149 45 F CB 0.923 39.931 39.000 0.013 0.000 1.160 45 F HN 0.207 nan 8.300 nan 0.000 0.501 46 D N 3.595 124.098 120.400 0.171 0.000 2.232 46 D HA 0.393 5.039 4.640 0.010 0.000 0.242 46 D C -0.639 175.726 176.300 0.107 0.000 1.093 46 D CA 0.017 54.081 54.000 0.107 0.000 0.845 46 D CB 2.339 43.176 40.800 0.062 0.000 1.124 46 D HN 0.128 nan 8.370 nan 0.000 0.467 47 V N 2.127 122.089 119.914 0.080 0.000 2.487 47 V HA 0.387 4.513 4.120 0.010 0.000 0.298 47 V C 0.261 176.377 176.094 0.037 0.000 1.028 47 V CA -0.811 61.523 62.300 0.057 0.000 0.860 47 V CB 1.801 33.649 31.823 0.042 0.000 0.991 47 V HN 0.615 nan 8.190 nan 0.000 0.427 48 T N 3.154 117.726 114.554 0.031 0.000 2.772 48 T HA 0.609 4.965 4.350 0.010 0.000 0.288 48 T C -2.703 172.004 174.700 0.012 0.000 0.994 48 T CA -2.263 59.850 62.100 0.022 0.000 0.951 48 T CB 1.564 70.447 68.868 0.025 0.000 0.933 48 T HN 0.375 nan 8.240 nan 0.000 0.447 49 P HA 0.314 nan 4.420 nan 0.000 0.272 49 P C 0.049 177.343 177.300 -0.011 0.000 1.223 49 P CA -0.143 62.949 63.100 -0.013 0.000 0.784 49 P CB 0.602 32.290 31.700 -0.019 0.000 0.923 50 T N -1.188 113.352 114.554 -0.023 0.000 2.916 50 T HA 0.720 5.076 4.350 0.010 0.000 0.292 50 T C -0.944 173.737 174.700 -0.031 0.000 1.055 50 T CA -0.921 61.175 62.100 -0.007 0.000 1.009 50 T CB 1.521 70.404 68.868 0.026 0.000 1.118 50 T HN 0.280 nan 8.240 nan 0.000 0.497 51 V N 1.143 121.057 119.914 -0.001 0.000 2.817 51 V HA 0.659 4.786 4.120 0.010 0.000 0.303 51 V C -1.988 174.133 176.094 0.046 0.000 1.151 51 V CA -0.434 61.865 62.300 -0.001 0.000 0.929 51 V CB 1.957 33.762 31.823 -0.030 0.000 1.030 51 V HN 1.073 nan 8.190 nan 0.000 0.427 52 Q N 3.512 123.386 119.800 0.122 0.000 2.304 52 Q HA 0.491 4.837 4.340 0.010 0.000 0.270 52 Q C -1.598 174.416 176.000 0.024 0.000 1.035 52 Q CA -0.384 55.455 55.803 0.060 0.000 0.781 52 Q CB 2.186 31.013 28.738 0.147 0.000 1.261 52 Q HN 0.925 nan 8.270 nan 0.000 0.444 53 D N 2.095 122.426 120.400 -0.114 0.000 2.210 53 D HA 0.422 5.068 4.640 0.010 0.000 0.249 53 D C -0.883 175.301 176.300 -0.193 0.000 1.078 53 D CA 0.404 54.367 54.000 -0.062 0.000 0.875 53 D CB 0.665 41.434 40.800 -0.052 0.000 1.175 53 D HN 0.270 nan 8.370 nan 0.000 0.440 54 Y N 0.045 120.395 120.300 0.083 0.000 2.605 54 Y HA 0.640 5.196 4.550 0.011 0.000 0.343 54 Y C -0.474 175.419 175.900 -0.011 0.000 1.036 54 Y CA -1.053 57.041 58.100 -0.010 0.000 1.065 54 Y CB 1.728 40.138 38.460 -0.083 0.000 1.288 54 Y HN 0.032 nan 8.280 nan 0.000 0.481 55 V N 2.316 122.264 119.914 0.056 0.000 2.623 55 V HA 0.408 4.534 4.120 0.010 0.000 0.304 55 V C -1.238 174.899 176.094 0.072 0.000 1.054 55 V CA -1.075 61.306 62.300 0.135 0.000 0.882 55 V CB 1.367 33.291 31.823 0.168 0.000 1.002 55 V HN 0.498 nan 8.190 nan 0.000 0.424 56 F N 2.966 123.089 119.950 0.288 0.000 2.450 56 F HA 0.608 5.142 4.527 0.010 0.000 0.332 56 F C 0.275 176.060 175.800 -0.025 0.000 1.093 56 F CA -0.546 57.557 58.000 0.172 0.000 1.003 56 F CB 1.843 40.865 39.000 0.036 0.000 1.151 56 F HN 0.291 nan 8.300 nan 0.000 0.474 57 K N 3.829 124.188 120.400 -0.067 0.000 2.358 57 K HA 0.598 4.924 4.320 0.010 0.000 0.260 57 K C -1.932 174.549 176.600 -0.198 0.000 0.956 57 K CA -0.804 55.277 56.287 -0.344 0.000 0.834 57 K CB 1.463 33.392 32.500 -0.951 0.000 1.102 57 K HN 0.653 nan 8.250 nan 0.000 0.431 58 L N 4.370 125.480 121.223 -0.189 0.000 2.319 58 L HA 0.331 4.677 4.340 0.010 0.000 0.281 58 L C -0.955 175.811 176.870 -0.174 0.000 1.005 58 L CA -0.354 54.372 54.840 -0.190 0.000 0.828 58 L CB 1.443 43.373 42.059 -0.216 0.000 1.227 58 L HN 0.603 nan 8.230 nan 0.000 0.415 59 D N 4.675 124.983 120.400 -0.153 0.000 2.342 59 D HA 0.072 4.718 4.640 0.010 0.000 0.260 59 D C 1.009 177.254 176.300 -0.091 0.000 1.278 59 D CA 0.205 54.141 54.000 -0.108 0.000 0.910 59 D CB 0.687 41.435 40.800 -0.086 0.000 1.079 59 D HN 0.685 nan 8.370 nan 0.000 0.496 60 L N 2.665 123.854 121.223 -0.055 0.000 2.376 60 L HA -0.031 4.315 4.340 0.010 0.000 0.219 60 L C 1.595 178.467 176.870 0.004 0.000 1.133 60 L CA 0.522 55.354 54.840 -0.014 0.000 0.816 60 L CB -0.340 41.743 42.059 0.040 0.000 0.933 60 L HN 0.184 nan 8.230 nan 0.000 0.449 61 K N 3.010 123.408 120.400 -0.004 0.000 2.292 61 K HA 0.117 4.443 4.320 0.010 0.000 0.290 61 K C -0.252 176.353 176.600 0.008 0.000 1.083 61 K CA 0.026 56.317 56.287 0.007 0.000 0.918 61 K CB 0.506 33.008 32.500 0.003 0.000 1.089 61 K HN 0.248 nan 8.250 nan 0.000 0.473 62 K N 4.292 124.706 120.400 0.023 0.000 2.098 62 K HA 0.491 4.818 4.320 0.010 0.000 0.258 62 K C -2.297 174.328 176.600 0.041 0.000 0.973 62 K CA -1.853 54.457 56.287 0.038 0.000 0.898 62 K CB 0.754 33.291 32.500 0.062 0.000 1.057 62 K HN 0.216 nan 8.250 nan 0.000 0.447 63 P HA -0.030 nan 4.420 nan 0.000 0.264 63 P C -0.446 176.885 177.300 0.052 0.000 1.193 63 P CA 0.197 63.326 63.100 0.049 0.000 0.763 63 P CB 0.740 32.477 31.700 0.062 0.000 0.810 64 E N 1.559 121.781 120.200 0.036 0.000 2.347 64 E HA -0.059 4.297 4.350 0.010 0.000 0.196 64 E C 0.224 176.849 176.600 0.041 0.000 1.008 64 E CA 0.889 57.308 56.400 0.032 0.000 0.852 64 E CB 0.101 29.812 29.700 0.019 0.000 0.783 64 E HN 0.372 nan 8.360 nan 0.000 0.505 65 K N 0.757 121.187 120.400 0.051 0.000 2.535 65 K HA 0.315 4.641 4.320 0.010 0.000 0.251 65 K C -1.471 175.185 176.600 0.093 0.000 0.942 65 K CA -0.771 55.559 56.287 0.071 0.000 0.798 65 K CB 2.325 34.845 32.500 0.034 0.000 1.267 65 K HN -0.086 nan 8.250 nan 0.000 0.434 66 L N 1.330 122.655 121.223 0.170 0.000 2.307 66 L HA 0.606 4.953 4.340 0.010 0.000 0.284 66 L C 0.128 177.067 176.870 0.116 0.000 1.023 66 L CA -0.009 54.922 54.840 0.151 0.000 0.810 66 L CB 1.709 43.902 42.059 0.224 0.000 1.231 66 L HN 0.694 nan 8.230 nan 0.000 0.423 67 G N 6.021 114.880 108.800 0.097 0.000 2.370 67 G HA2 0.536 4.502 3.960 0.010 0.000 0.272 67 G HA3 0.536 4.502 3.960 0.010 0.000 0.272 67 G C -0.739 174.256 174.900 0.158 0.000 1.208 67 G CA -0.361 44.877 45.100 0.230 0.000 0.856 67 G HN 0.464 nan 8.290 nan 0.000 0.500 68 I N 2.607 123.248 120.570 0.118 0.000 2.447 68 I HA 0.328 4.504 4.170 0.010 0.000 0.287 68 I C -0.188 175.782 176.117 -0.246 0.000 1.023 68 I CA -0.629 60.593 61.300 -0.131 0.000 1.083 68 I CB 1.782 39.590 38.000 -0.321 0.000 1.245 68 I HN 0.369 nan 8.210 nan 0.000 0.434 69 M N 7.262 126.719 119.600 -0.239 0.000 2.085 69 M HA 0.493 4.979 4.480 0.010 0.000 0.309 69 M C -0.861 175.360 176.300 -0.131 0.000 0.947 69 M CA -0.452 54.619 55.300 -0.382 0.000 0.918 69 M CB 2.011 34.354 32.600 -0.427 0.000 1.504 69 M HN 0.293 nan 8.290 nan 0.000 0.420 70 L N 4.701 125.811 121.223 -0.189 0.000 2.275 70 L HA 0.562 4.909 4.340 0.010 0.000 0.288 70 L C -0.410 176.425 176.870 -0.059 0.000 1.046 70 L CA -0.735 54.037 54.840 -0.113 0.000 0.805 70 L CB 1.368 43.332 42.059 -0.157 0.000 1.193 70 L HN 0.644 nan 8.230 nan 0.000 0.426 71 I N 3.067 123.570 120.570 -0.112 0.000 2.337 71 I HA 0.335 4.512 4.170 0.010 0.000 0.291 71 I C 1.011 176.797 176.117 -0.552 0.000 1.046 71 I CA 0.271 61.363 61.300 -0.347 0.000 1.324 71 I CB 0.959 38.470 38.000 -0.815 0.000 1.409 71 I HN 0.890 nan 8.210 nan 0.000 0.494 72 G N 4.700 113.258 108.800 -0.404 0.000 2.141 72 G HA2 -0.231 3.735 3.960 0.010 0.000 0.195 72 G HA3 -0.231 3.735 3.960 0.010 0.000 0.195 72 G C 0.506 175.268 174.900 -0.230 0.000 1.012 72 G CA -0.044 44.836 45.100 -0.367 0.000 0.696 72 G HN 0.612 nan 8.290 nan 0.000 0.508 73 L N 0.855 121.969 121.223 -0.182 0.000 2.189 73 L HA 0.202 4.548 4.340 0.010 0.000 0.214 73 L C 2.352 179.152 176.870 -0.117 0.000 1.097 73 L CA 3.212 57.963 54.840 -0.148 0.000 0.764 73 L CB -0.342 41.621 42.059 -0.159 0.000 0.900 73 L HN 0.472 nan 8.230 nan 0.000 0.436 74 G N -1.362 107.371 108.800 -0.112 0.000 3.088 74 G HA2 0.270 4.237 3.960 0.010 0.000 0.212 74 G HA3 0.270 4.237 3.960 0.010 0.000 0.212 74 G C 0.775 175.625 174.900 -0.082 0.000 1.173 74 G CA 0.251 45.298 45.100 -0.088 0.000 0.779 74 G HN 0.605 nan 8.290 nan 0.000 0.540 75 G N 0.290 109.034 108.800 -0.094 0.000 2.494 75 G HA2 0.226 4.193 3.960 0.010 0.000 0.270 75 G HA3 0.226 4.193 3.960 0.010 0.000 0.270 75 G C 0.883 175.750 174.900 -0.055 0.000 1.423 75 G CA -0.303 44.753 45.100 -0.075 0.000 1.055 75 G HN 0.095 nan 8.290 nan 0.000 0.536 76 N N 0.175 118.853 118.700 -0.037 0.000 2.080 76 N HA -0.110 4.636 4.740 0.010 0.000 0.189 76 N C 2.119 177.614 175.510 -0.025 0.000 1.036 76 N CA 1.147 54.184 53.050 -0.023 0.000 0.846 76 N CB -0.287 38.199 38.487 -0.002 0.000 1.015 76 N HN 0.380 nan 8.380 nan 0.000 0.423 77 N N 0.316 118.999 118.700 -0.028 0.000 2.058 77 N HA -0.068 4.678 4.740 0.010 0.000 0.191 77 N C 1.839 177.326 175.510 -0.038 0.000 1.037 77 N CA 1.371 54.405 53.050 -0.026 0.000 0.848 77 N CB -0.991 37.478 38.487 -0.030 0.000 1.021 77 N HN 0.311 nan 8.380 nan 0.000 0.422 78 G N 0.746 109.507 108.800 -0.065 0.000 2.491 78 G HA2 -0.290 3.676 3.960 0.010 0.000 0.218 78 G HA3 -0.290 3.676 3.960 0.010 0.000 0.218 78 G C 1.714 176.584 174.900 -0.050 0.000 1.180 78 G CA 1.880 46.936 45.100 -0.074 0.000 0.774 78 G HN 0.519 nan 8.290 nan 0.000 0.562 79 S N -0.207 115.464 115.700 -0.047 0.000 2.402 79 S HA -0.090 4.386 4.470 0.010 0.000 0.229 79 S C 2.218 176.805 174.600 -0.022 0.000 1.021 79 S CA 1.957 60.136 58.200 -0.035 0.000 0.974 79 S CB -0.675 62.498 63.200 -0.044 0.000 0.800 79 S HN 0.297 nan 8.310 nan 0.000 0.484 80 T N 3.046 117.589 114.554 -0.019 0.000 2.904 80 T HA 0.138 4.494 4.350 0.010 0.000 0.267 80 T C 1.721 176.431 174.700 0.017 0.000 1.059 80 T CA 0.828 62.922 62.100 -0.010 0.000 1.137 80 T CB -0.389 68.476 68.868 -0.005 0.000 0.879 80 T HN 0.211 nan 8.240 nan 0.000 0.467 81 L N 1.806 123.043 121.223 0.023 0.000 1.994 81 L HA -0.051 4.295 4.340 0.010 0.000 0.208 81 L C 2.421 179.339 176.870 0.080 0.000 1.071 81 L CA 1.789 56.665 54.840 0.060 0.000 0.745 81 L CB -1.158 40.920 42.059 0.032 0.000 0.892 81 L HN 0.138 nan 8.230 nan 0.000 0.431 82 V N 0.689 120.629 119.914 0.044 0.000 2.343 82 V HA -0.249 3.877 4.120 0.010 0.000 0.247 82 V C 3.000 179.125 176.094 0.052 0.000 1.051 82 V CA 1.536 63.867 62.300 0.053 0.000 1.036 82 V CB -1.214 30.622 31.823 0.021 0.000 0.654 82 V HN 0.584 nan 8.190 nan 0.000 0.451 83 A N 0.804 123.638 122.820 0.022 0.000 1.902 83 A HA -0.209 4.117 4.320 0.010 0.000 0.217 83 A C 2.570 180.149 177.584 -0.008 0.000 1.181 83 A CA 2.268 54.303 52.037 -0.004 0.000 0.623 83 A CB -0.781 18.194 19.000 -0.042 0.000 0.818 83 A HN 0.688 nan 8.150 nan 0.000 0.443 84 S N -0.241 115.470 115.700 0.019 0.000 2.368 84 S HA -0.139 4.337 4.470 0.010 0.000 0.225 84 S C 1.770 176.405 174.600 0.059 0.000 1.030 84 S CA 1.514 59.724 58.200 0.016 0.000 0.999 84 S CB -1.039 62.237 63.200 0.128 0.000 0.844 84 S HN 0.259 nan 8.310 nan 0.000 0.459 85 V N 2.409 122.418 119.914 0.158 0.000 2.295 85 V HA -0.124 4.003 4.120 0.010 0.000 0.246 85 V C 2.617 178.756 176.094 0.075 0.000 1.049 85 V CA 1.915 64.319 62.300 0.173 0.000 1.024 85 V CB -0.897 31.039 31.823 0.188 0.000 0.648 85 V HN 0.474 nan 8.190 nan 0.000 0.447 86 L N -0.023 121.250 121.223 0.083 0.000 2.056 86 L HA -0.096 4.250 4.340 0.010 0.000 0.207 86 L C 2.759 179.695 176.870 0.110 0.000 1.078 86 L CA 1.424 56.350 54.840 0.144 0.000 0.749 86 L CB -0.885 41.268 42.059 0.156 0.000 0.901 86 L HN 0.347 nan 8.230 nan 0.000 0.433 87 A N 0.350 123.179 122.820 0.015 0.000 1.877 87 A HA -0.208 4.118 4.320 0.010 0.000 0.216 87 A C 2.132 179.678 177.584 -0.063 0.000 1.186 87 A CA 1.899 53.920 52.037 -0.028 0.000 0.620 87 A CB -0.557 18.382 19.000 -0.101 0.000 0.822 87 A HN 0.448 nan 8.150 nan 0.000 0.443 88 N N -0.506 118.100 118.700 -0.156 0.000 2.109 88 N HA -0.133 4.613 4.740 0.010 0.000 0.188 88 N C 1.855 177.289 175.510 -0.126 0.000 1.034 88 N CA 1.433 54.355 53.050 -0.213 0.000 0.846 88 N CB -0.316 37.885 38.487 -0.477 0.000 1.010 88 N HN 0.621 nan 8.380 nan 0.000 0.425 89 K N 0.706 121.022 120.400 -0.140 0.000 2.089 89 K HA -0.167 4.159 4.320 0.010 0.000 0.210 89 K C 0.786 177.156 176.600 -0.384 0.000 1.048 89 K CA 1.428 57.551 56.287 -0.273 0.000 0.926 89 K CB -0.030 32.234 32.500 -0.392 0.000 0.714 89 K HN 0.352 nan 8.250 nan 0.000 0.448 90 H N 0.028 119.091 119.070 -0.012 0.000 2.520 90 H HA 0.155 4.717 4.556 0.010 0.000 0.284 90 H C -0.428 174.890 175.328 -0.017 0.000 1.037 90 H CA 0.051 56.091 56.048 -0.012 0.000 1.168 90 H CB -0.185 29.570 29.762 -0.012 0.000 1.497 90 H HN 0.343 nan 8.280 nan 0.000 0.547 91 N N 0.705 119.422 118.700 0.028 0.000 2.699 91 N HA -0.166 4.580 4.740 0.010 0.000 0.256 91 N C -0.703 174.831 175.510 0.040 0.000 0.993 91 N CA -0.030 53.028 53.050 0.012 0.000 0.759 91 N CB -0.728 37.761 38.487 0.004 0.000 0.906 91 N HN 0.004 nan 8.380 nan 0.000 0.541 92 V N 1.241 121.191 119.914 0.060 0.000 2.326 92 V HA 0.027 4.153 4.120 0.010 0.000 0.249 92 V C 0.880 177.060 176.094 0.145 0.000 1.114 92 V CA -0.083 62.264 62.300 0.078 0.000 1.028 92 V CB 0.003 31.862 31.823 0.061 0.000 1.170 92 V HN 0.288 nan 8.190 nan 0.000 0.494 93 E N 5.138 125.395 120.200 0.094 0.000 2.354 93 E HA 0.551 4.907 4.350 0.010 0.000 0.269 93 E C -0.599 176.088 176.600 0.145 0.000 1.036 93 E CA -0.545 55.892 56.400 0.062 0.000 0.876 93 E CB 0.949 30.621 29.700 -0.047 0.000 1.009 93 E HN 0.567 nan 8.360 nan 0.000 0.416 94 F N -1.091 118.829 119.950 -0.050 0.000 2.603 94 F HA 0.449 4.982 4.527 0.011 0.000 0.317 94 F C -0.395 175.389 175.800 -0.028 0.000 1.066 94 F CA -1.610 56.366 58.000 -0.041 0.000 0.941 94 F CB 1.296 40.268 39.000 -0.047 0.000 1.291 94 F HN 0.174 nan 8.300 nan 0.000 0.472 95 Q N 1.902 121.776 119.800 0.124 0.000 2.261 95 Q HA 0.484 4.831 4.340 0.010 0.000 0.252 95 Q C -0.241 175.826 176.000 0.113 0.000 0.915 95 Q CA -0.048 55.784 55.803 0.049 0.000 0.915 95 Q CB 1.871 30.646 28.738 0.061 0.000 1.204 95 Q HN 0.984 nan 8.270 nan 0.000 0.421 96 T N -2.511 112.065 114.554 0.036 0.000 2.841 96 T HA 0.363 4.720 4.350 0.010 0.000 0.296 96 T C 0.582 175.301 174.700 0.032 0.000 1.166 96 T CA -0.913 61.227 62.100 0.068 0.000 1.007 96 T CB 1.051 69.951 68.868 0.053 0.000 1.253 96 T HN 0.599 nan 8.240 nan 0.000 0.511 97 K N -0.204 120.220 120.400 0.040 0.000 2.515 97 K HA 0.060 4.387 4.320 0.010 0.000 0.196 97 K C 0.616 177.221 176.600 0.009 0.000 1.038 97 K CA 0.996 57.297 56.287 0.024 0.000 0.967 97 K CB -0.089 32.427 32.500 0.027 0.000 0.780 97 K HN 0.476 nan 8.250 nan 0.000 0.483 98 E N 0.739 120.939 120.200 0.000 0.000 2.476 98 E HA 0.196 4.552 4.350 0.010 0.000 0.196 98 E C 0.315 176.894 176.600 -0.035 0.000 1.029 98 E CA 0.494 56.886 56.400 -0.013 0.000 0.896 98 E CB 1.134 30.828 29.700 -0.011 0.000 1.012 98 E HN 0.538 nan 8.360 nan 0.000 0.475 99 G N -0.573 108.203 108.800 -0.040 0.000 2.610 99 G HA2 -0.223 3.743 3.960 0.010 0.000 0.304 99 G HA3 -0.223 3.743 3.960 0.010 0.000 0.304 99 G C -0.536 174.295 174.900 -0.115 0.000 1.309 99 G CA -0.647 44.417 45.100 -0.060 0.000 0.906 99 G HN 0.047 nan 8.290 nan 0.000 0.521 100 V N 1.819 121.656 119.914 -0.128 0.000 2.585 100 V HA 0.417 4.544 4.120 0.010 0.000 0.296 100 V C 0.422 176.332 176.094 -0.307 0.000 1.035 100 V CA 0.096 62.273 62.300 -0.205 0.000 1.084 100 V CB 1.194 32.932 31.823 -0.142 0.000 0.953 100 V HN 0.650 nan 8.190 nan 0.000 0.483 101 K N 3.536 123.587 120.400 -0.582 0.000 2.259 101 K HA 0.506 4.833 4.320 0.010 0.000 0.249 101 K C -0.601 175.621 176.600 -0.630 0.000 0.942 101 K CA -0.858 55.035 56.287 -0.656 0.000 0.816 101 K CB 1.951 33.918 32.500 -0.888 0.000 1.155 101 K HN 0.511 nan 8.250 nan 0.000 0.428 102 Q N 2.477 122.069 119.800 -0.346 0.000 2.257 102 Q HA 0.366 4.712 4.340 0.010 0.000 0.255 102 Q C -2.095 173.815 176.000 -0.151 0.000 0.920 102 Q CA -2.074 53.608 55.803 -0.202 0.000 0.927 102 Q CB 0.853 29.507 28.738 -0.140 0.000 1.229 102 Q HN 0.341 nan 8.270 nan 0.000 0.433 103 P HA 0.047 nan 4.420 nan 0.000 0.268 103 P C -0.672 176.480 177.300 -0.246 0.000 1.208 103 P CA -0.026 63.045 63.100 -0.049 0.000 0.777 103 P CB 0.688 32.362 31.700 -0.044 0.000 0.875 104 N N -0.610 117.865 118.700 -0.375 0.000 3.179 104 N HA 0.204 4.950 4.740 0.010 0.000 0.250 104 N C -1.487 173.768 175.510 -0.425 0.000 1.507 104 N CA -0.771 52.026 53.050 -0.422 0.000 0.883 104 N CB 0.155 38.273 38.487 -0.615 0.000 1.435 104 N HN 0.261 nan 8.380 nan 0.000 0.532 105 Y N -0.448 119.851 120.300 -0.002 0.000 2.774 105 Y HA 0.443 4.998 4.550 0.010 0.000 0.305 105 Y C -0.309 175.722 175.900 0.218 0.000 1.067 105 Y CA -0.911 57.229 58.100 0.068 0.000 1.304 105 Y CB 0.113 38.596 38.460 0.038 0.000 1.209 105 Y HN 0.280 nan 8.280 nan 0.000 0.543 106 F N 1.202 121.223 119.950 0.119 0.000 2.629 106 F HA 0.227 4.760 4.527 0.010 0.000 0.369 106 F C 1.482 177.338 175.800 0.094 0.000 1.125 106 F CA 0.924 58.976 58.000 0.087 0.000 1.330 106 F CB 0.150 39.186 39.000 0.060 0.000 1.071 106 F HN 0.465 nan 8.300 nan 0.000 0.595 107 G N 1.537 110.477 108.800 0.233 0.000 2.213 107 G HA2 -0.233 3.733 3.960 0.010 0.000 0.236 107 G HA3 -0.233 3.733 3.960 0.010 0.000 0.236 107 G C 0.308 175.296 174.900 0.148 0.000 0.991 107 G CA 0.145 45.345 45.100 0.165 0.000 0.629 107 G HN 0.868 nan 8.290 nan 0.000 0.517 108 S N 0.233 116.020 115.700 0.145 0.000 2.457 108 S HA 0.622 5.098 4.470 0.010 0.000 0.289 108 S C 1.491 176.098 174.600 0.011 0.000 1.163 108 S CA 0.440 58.684 58.200 0.073 0.000 1.078 108 S CB 0.971 64.195 63.200 0.041 0.000 0.987 108 S HN 0.510 nan 8.310 nan 0.000 0.482 109 M N 4.706 124.287 119.600 -0.032 0.000 2.156 109 M HA -0.071 4.416 4.480 0.010 0.000 0.264 109 M C 1.976 178.001 176.300 -0.458 0.000 1.067 109 M CA 2.232 57.408 55.300 -0.206 0.000 1.131 109 M CB -0.691 31.771 32.600 -0.230 0.000 1.368 109 M HN 0.849 nan 8.290 nan 0.000 0.416 110 T N -1.818 112.466 114.554 -0.450 0.000 2.951 110 T HA -0.047 4.309 4.350 0.010 0.000 0.268 110 T C 1.644 176.302 174.700 -0.070 0.000 1.073 110 T CA 0.829 62.708 62.100 -0.367 0.000 1.134 110 T CB -0.166 68.576 68.868 -0.210 0.000 0.884 110 T HN 0.444 nan 8.240 nan 0.000 0.479 111 Q N -0.305 119.452 119.800 -0.073 0.000 2.373 111 Q HA 0.285 4.631 4.340 0.010 0.000 0.210 111 Q C 1.678 177.727 176.000 0.083 0.000 0.913 111 Q CA 0.496 56.303 55.803 0.007 0.000 0.911 111 Q CB 0.059 28.782 28.738 -0.025 0.000 1.040 111 Q HN 0.611 nan 8.270 nan 0.000 0.521 112 C N 0.960 120.301 119.300 0.068 0.000 3.386 112 C HA 0.370 4.836 4.460 0.010 0.000 0.279 112 C C 1.016 176.021 174.990 0.024 0.000 1.508 112 C CA -0.624 58.441 59.018 0.078 0.000 1.801 112 C CB -0.212 27.603 27.740 0.125 0.000 2.798 112 C HN 0.320 nan 8.230 nan 0.000 0.605 113 S N 0.959 116.676 115.700 0.028 0.000 2.664 113 S HA 0.818 5.294 4.470 0.010 0.000 0.304 113 S C -0.226 174.452 174.600 0.131 0.000 1.099 113 S CA -0.014 58.209 58.200 0.038 0.000 1.003 113 S CB 1.674 64.872 63.200 -0.003 0.000 1.092 113 S HN 0.472 nan 8.310 nan 0.000 0.525 114 T N 0.026 114.656 114.554 0.127 0.000 2.926 114 T HA 0.772 5.128 4.350 0.010 0.000 0.289 114 T C -0.616 174.230 174.700 0.244 0.000 1.054 114 T CA -0.929 61.277 62.100 0.178 0.000 1.015 114 T CB 0.812 69.767 68.868 0.146 0.000 1.167 114 T HN 0.661 nan 8.240 nan 0.000 0.526 115 L N 0.200 121.557 121.223 0.222 0.000 2.371 115 L HA 0.586 4.933 4.340 0.010 0.000 0.262 115 L C -0.326 176.521 176.870 -0.038 0.000 1.006 115 L CA -1.256 53.657 54.840 0.122 0.000 0.818 115 L CB 2.523 44.544 42.059 -0.062 0.000 1.354 115 L HN 0.718 nan 8.230 nan 0.000 0.415 116 K N 1.692 121.922 120.400 -0.285 0.000 2.285 116 K HA 0.344 4.670 4.320 0.010 0.000 0.286 116 K C 0.366 176.769 176.600 -0.329 0.000 1.072 116 K CA -0.317 55.584 56.287 -0.643 0.000 0.913 116 K CB 0.847 32.929 32.500 -0.697 0.000 1.067 116 K HN 0.631 nan 8.250 nan 0.000 0.479 117 L N 2.961 124.019 121.223 -0.275 0.000 2.307 117 L HA 0.190 4.536 4.340 0.010 0.000 0.211 117 L C 1.168 177.947 176.870 -0.153 0.000 1.099 117 L CA 0.684 55.420 54.840 -0.173 0.000 0.816 117 L CB 0.083 42.068 42.059 -0.124 0.000 0.952 117 L HN 1.004 nan 8.230 nan 0.000 0.455 118 G N -0.019 108.674 108.800 -0.179 0.000 2.367 118 G HA2 0.195 4.161 3.960 0.010 0.000 0.272 118 G HA3 0.195 4.161 3.960 0.010 0.000 0.272 118 G C -1.665 173.160 174.900 -0.125 0.000 1.271 118 G CA -0.340 44.681 45.100 -0.132 0.000 0.893 118 G HN 0.016 nan 8.290 nan 0.000 0.485 119 I N -0.717 119.806 120.570 -0.078 0.000 2.693 119 I HA 0.758 4.934 4.170 0.010 0.000 0.303 119 I C -0.198 175.898 176.117 -0.034 0.000 1.025 119 I CA -0.967 60.301 61.300 -0.054 0.000 1.086 119 I CB 2.084 40.062 38.000 -0.036 0.000 1.268 119 I HN 0.661 nan 8.210 nan 0.000 0.440 120 D N 4.389 124.777 120.400 -0.020 0.000 2.469 120 D HA 0.286 4.932 4.640 0.010 0.000 0.278 120 D C 1.051 177.348 176.300 -0.005 0.000 1.231 120 D CA -0.176 53.818 54.000 -0.011 0.000 1.075 120 D CB 0.510 41.309 40.800 -0.003 0.000 1.121 120 D HN 0.661 nan 8.370 nan 0.000 0.571 121 A N -1.021 121.798 122.820 -0.001 0.000 2.168 121 A HA -0.076 4.250 4.320 0.010 0.000 0.215 121 A C 1.420 179.006 177.584 0.004 0.000 1.152 121 A CA 0.672 52.710 52.037 0.001 0.000 0.716 121 A CB -0.469 18.532 19.000 0.002 0.000 0.794 121 A HN 0.454 nan 8.150 nan 0.000 0.465 122 E N -1.020 119.184 120.200 0.005 0.000 2.479 122 E HA 0.207 4.564 4.350 0.010 0.000 0.193 122 E C 1.141 177.746 176.600 0.009 0.000 1.049 122 E CA 0.617 57.021 56.400 0.008 0.000 0.870 122 E CB -0.281 29.425 29.700 0.009 0.000 0.944 122 E HN 0.779 nan 8.360 nan 0.000 0.492 123 G N 1.788 110.592 108.800 0.007 0.000 2.132 123 G HA2 -0.210 3.756 3.960 0.010 0.000 0.234 123 G HA3 -0.210 3.756 3.960 0.010 0.000 0.234 123 G C -0.123 174.781 174.900 0.007 0.000 0.989 123 G CA -0.198 44.906 45.100 0.007 0.000 0.676 123 G HN 0.172 nan 8.290 nan 0.000 0.522 124 N N 1.323 120.027 118.700 0.008 0.000 2.443 124 N HA 0.376 5.122 4.740 0.010 0.000 0.295 124 N C -0.523 174.991 175.510 0.007 0.000 1.076 124 N CA -0.633 52.426 53.050 0.016 0.000 0.919 124 N CB 1.090 39.593 38.487 0.026 0.000 1.176 124 N HN 0.124 nan 8.380 nan 0.000 0.487 125 D N 0.664 121.072 120.400 0.014 0.000 2.506 125 D HA 0.014 4.661 4.640 0.010 0.000 0.234 125 D C -0.107 176.176 176.300 -0.028 0.000 1.143 125 D CA 0.509 54.483 54.000 -0.042 0.000 0.871 125 D CB 0.945 41.749 40.800 0.008 0.000 1.190 125 D HN 0.045 nan 8.370 nan 0.000 0.459 126 V N 3.280 123.100 119.914 -0.156 0.000 2.444 126 V HA 0.217 4.343 4.120 0.010 0.000 0.294 126 V C -0.664 175.300 176.094 -0.215 0.000 1.022 126 V CA -0.749 61.502 62.300 -0.081 0.000 0.850 126 V CB 0.713 32.500 31.823 -0.061 0.000 0.992 126 V HN 0.352 nan 8.190 nan 0.000 0.426 127 Y N 2.567 122.855 120.300 -0.019 0.000 2.387 127 Y HA 0.807 5.364 4.550 0.010 0.000 0.330 127 Y C 0.469 176.357 175.900 -0.019 0.000 1.133 127 Y CA -0.409 57.679 58.100 -0.020 0.000 1.152 127 Y CB 2.028 40.480 38.460 -0.015 0.000 1.215 127 Y HN 0.720 nan 8.280 nan 0.000 0.466 128 A N 3.135 126.025 122.820 0.117 0.000 2.498 128 A HA 0.758 5.084 4.320 0.010 0.000 0.298 128 A C -3.032 174.594 177.584 0.070 0.000 1.075 128 A CA -2.250 49.823 52.037 0.060 0.000 0.714 128 A CB 1.356 20.353 19.000 -0.005 0.000 1.299 128 A HN 0.459 nan 8.150 nan 0.000 0.407 129 P HA 0.068 nan 4.420 nan 0.000 0.265 129 P C 0.482 177.827 177.300 0.076 0.000 1.187 129 P CA 0.144 63.294 63.100 0.084 0.000 0.766 129 P CB 0.220 31.961 31.700 0.068 0.000 0.820 130 F N 3.701 123.641 119.950 -0.016 0.000 2.126 130 F HA -0.247 4.287 4.527 0.011 0.000 0.299 130 F C 1.404 177.158 175.800 -0.077 0.000 1.096 130 F CA 1.811 59.782 58.000 -0.049 0.000 1.255 130 F CB -0.114 38.858 39.000 -0.047 0.000 0.997 130 F HN 0.322 nan 8.300 nan 0.000 0.479 131 N N -0.505 118.300 118.700 0.175 0.000 2.327 131 N HA 0.028 4.775 4.740 0.010 0.000 0.231 131 N C 0.542 176.057 175.510 0.008 0.000 1.130 131 N CA 0.577 53.673 53.050 0.077 0.000 0.845 131 N CB -0.536 38.026 38.487 0.125 0.000 1.073 131 N HN 0.245 nan 8.380 nan 0.000 0.496 132 S N -1.339 114.344 115.700 -0.028 0.000 2.523 132 S HA 0.192 4.668 4.470 0.010 0.000 0.217 132 S C 1.206 175.781 174.600 -0.041 0.000 0.996 132 S CA -0.361 57.828 58.200 -0.018 0.000 0.921 132 S CB -0.070 63.127 63.200 -0.004 0.000 0.829 132 S HN 0.069 nan 8.310 nan 0.000 0.495 133 L N 1.161 122.326 121.223 -0.096 0.000 2.049 133 L HA 0.454 4.800 4.340 0.010 0.000 0.203 133 L C 0.750 177.598 176.870 -0.036 0.000 1.074 133 L CA 1.325 56.107 54.840 -0.097 0.000 0.749 133 L CB -0.605 41.342 42.059 -0.188 0.000 0.907 133 L HN 0.350 nan 8.230 nan 0.000 0.439 134 L N -0.129 121.085 121.223 -0.016 0.000 2.354 134 L HA 0.423 4.769 4.340 0.010 0.000 0.264 134 L C -2.281 174.685 176.870 0.160 0.000 1.008 134 L CA -1.984 52.920 54.840 0.108 0.000 0.819 134 L CB 1.954 44.154 42.059 0.234 0.000 1.339 134 L HN -0.085 nan 8.230 nan 0.000 0.420 135 P HA 0.100 nan 4.420 nan 0.000 0.264 135 P C -1.185 176.261 177.300 0.244 0.000 1.193 135 P CA 0.253 63.445 63.100 0.152 0.000 0.763 135 P CB 0.848 32.611 31.700 0.106 0.000 0.810 136 M N 2.168 121.878 119.600 0.183 0.000 2.501 136 M HA 0.276 4.762 4.480 0.010 0.000 0.293 136 M C -0.542 175.832 176.300 0.124 0.000 1.192 136 M CA -1.219 54.209 55.300 0.214 0.000 0.886 136 M CB 2.869 35.567 32.600 0.163 0.000 1.710 136 M HN -0.008 nan 8.290 nan 0.000 0.457 137 V N 1.400 121.395 119.914 0.135 0.000 2.614 137 V HA 0.217 4.344 4.120 0.010 0.000 0.291 137 V C 0.342 176.414 176.094 -0.037 0.000 1.049 137 V CA -0.299 62.049 62.300 0.081 0.000 1.038 137 V CB 1.311 33.233 31.823 0.165 0.000 0.980 137 V HN 0.900 nan 8.190 nan 0.000 0.481 138 S N 6.211 121.830 115.700 -0.135 0.000 2.586 138 S HA 0.344 4.820 4.470 0.010 0.000 0.274 138 S C -1.114 173.063 174.600 -0.706 0.000 1.281 138 S CA -1.318 56.701 58.200 -0.302 0.000 1.035 138 S CB 1.325 64.416 63.200 -0.181 0.000 0.962 138 S HN 0.662 nan 8.310 nan 0.000 0.512 139 P HA -0.053 nan 4.420 nan 0.000 0.228 139 P C 0.428 177.250 177.300 -0.797 0.000 1.151 139 P CA 0.963 63.047 63.100 -1.694 0.000 0.770 139 P CB -0.313 30.679 31.700 -1.179 0.000 0.786 140 N N -0.039 118.432 118.700 -0.382 0.000 2.459 140 N HA -0.060 4.686 4.740 0.010 0.000 0.181 140 N C 0.434 175.875 175.510 -0.115 0.000 1.046 140 N CA 0.413 53.381 53.050 -0.136 0.000 0.904 140 N CB -0.102 38.344 38.487 -0.068 0.000 0.964 140 N HN 0.125 nan 8.380 nan 0.000 0.444 141 D N -0.138 120.170 120.400 -0.153 0.000 2.643 141 D HA 0.095 4.741 4.640 0.010 0.000 0.244 141 D C -0.564 175.847 176.300 0.186 0.000 1.257 141 D CA -0.049 53.952 54.000 0.002 0.000 0.831 141 D CB 0.072 40.874 40.800 0.003 0.000 1.043 141 D HN 0.183 nan 8.370 nan 0.000 0.488 142 F N 0.872 120.833 119.950 0.019 0.000 2.394 142 F HA 0.291 4.825 4.527 0.010 0.000 0.340 142 F C 0.579 176.412 175.800 0.056 0.000 1.105 142 F CA -0.833 57.187 58.000 0.034 0.000 1.124 142 F CB 1.788 40.802 39.000 0.022 0.000 1.145 142 F HN -0.342 nan 8.300 nan 0.000 0.505 143 V N 5.030 125.099 119.914 0.259 0.000 2.357 143 V HA 0.296 4.422 4.120 0.010 0.000 0.284 143 V C -0.335 175.926 176.094 0.279 0.000 1.018 143 V CA -0.643 61.786 62.300 0.216 0.000 0.841 143 V CB 1.435 33.336 31.823 0.130 0.000 0.991 143 V HN 0.423 nan 8.190 nan 0.000 0.437 144 V N 3.926 123.955 119.914 0.191 0.000 2.459 144 V HA 0.798 4.925 4.120 0.010 0.000 0.295 144 V C 0.127 176.192 176.094 -0.048 0.000 1.029 144 V CA -0.072 62.260 62.300 0.054 0.000 0.874 144 V CB 1.629 33.460 31.823 0.012 0.000 0.985 144 V HN 0.882 nan 8.190 nan 0.000 0.438 145 S N 2.147 117.638 115.700 -0.348 0.000 2.880 145 S HA 1.005 5.481 4.470 0.010 0.000 0.308 145 S C -0.295 173.918 174.600 -0.645 0.000 1.195 145 S CA 0.271 58.154 58.200 -0.530 0.000 0.866 145 S CB 1.823 64.493 63.200 -0.884 0.000 1.254 145 S HN 1.842 nan 8.310 nan 0.000 0.571 146 G N -0.362 107.963 108.800 -0.792 0.000 2.362 146 G HA2 0.225 4.191 3.960 0.010 0.000 0.288 146 G HA3 0.225 4.191 3.960 0.010 0.000 0.288 146 G C -2.064 172.400 174.900 -0.727 0.000 1.305 146 G CA -0.628 43.959 45.100 -0.855 0.000 0.910 146 G HN 0.584 nan 8.290 nan 0.000 0.518 147 W N -0.088 121.125 121.300 -0.146 0.000 2.736 147 W HA 0.744 5.410 4.660 0.010 0.000 0.355 147 W C -0.832 175.578 176.519 -0.182 0.000 1.102 147 W CA -0.245 57.038 57.345 -0.103 0.000 1.164 147 W CB 2.302 31.777 29.460 0.025 0.000 1.422 147 W HN 0.613 nan 8.180 nan 0.000 0.572 148 D N 0.713 121.172 120.400 0.099 0.000 2.812 148 D HA 0.093 4.739 4.640 0.010 0.000 0.210 148 D C 0.529 176.813 176.300 -0.027 0.000 1.260 148 D CA -0.410 53.568 54.000 -0.037 0.000 0.817 148 D CB 1.713 42.466 40.800 -0.079 0.000 1.694 148 D HN 0.391 nan 8.370 nan 0.000 0.530 149 I N 0.293 120.814 120.570 -0.082 0.000 3.010 149 I HA 0.057 4.233 4.170 0.010 0.000 0.271 149 I C 0.574 176.630 176.117 -0.102 0.000 1.293 149 I CA 0.493 61.730 61.300 -0.105 0.000 1.452 149 I CB -0.111 37.746 38.000 -0.238 0.000 1.082 149 I HN 0.062 nan 8.210 nan 0.000 0.484 150 N N 2.753 121.402 118.700 -0.085 0.000 2.321 150 N HA 0.098 4.844 4.740 0.010 0.000 0.299 150 N C -0.004 175.481 175.510 -0.043 0.000 1.048 150 N CA -0.389 52.621 53.050 -0.066 0.000 0.836 150 N CB 1.199 39.644 38.487 -0.070 0.000 1.269 150 N HN 0.239 nan 8.380 nan 0.000 0.486 151 N N 2.075 120.758 118.700 -0.028 0.000 2.314 151 N HA 0.055 4.801 4.740 0.010 0.000 0.200 151 N C 0.070 175.570 175.510 -0.018 0.000 1.135 151 N CA -0.381 52.658 53.050 -0.018 0.000 0.835 151 N CB 0.032 38.516 38.487 -0.006 0.000 0.989 151 N HN 0.424 nan 8.380 nan 0.000 0.478 152 A N 0.994 123.799 122.820 -0.024 0.000 2.498 152 A HA 0.219 4.545 4.320 0.010 0.000 0.239 152 A C 0.163 177.738 177.584 -0.016 0.000 1.068 152 A CA -0.307 51.718 52.037 -0.019 0.000 0.766 152 A CB -0.255 18.727 19.000 -0.031 0.000 1.003 152 A HN 0.612 nan 8.150 nan 0.000 0.497 153 D N 1.106 121.509 120.400 0.005 0.000 2.361 153 D HA 0.125 4.771 4.640 0.010 0.000 0.239 153 D C 0.731 177.040 176.300 0.015 0.000 1.200 153 D CA -0.482 53.528 54.000 0.017 0.000 0.915 153 D CB 0.301 41.132 40.800 0.050 0.000 1.170 153 D HN 0.316 nan 8.370 nan 0.000 0.444 154 L N -0.210 121.024 121.223 0.019 0.000 2.549 154 L HA -0.105 4.241 4.340 0.010 0.000 0.229 154 L C 1.542 178.437 176.870 0.042 0.000 1.158 154 L CA 0.573 55.418 54.840 0.010 0.000 0.842 154 L CB -0.627 41.434 42.059 0.003 0.000 0.952 154 L HN 0.530 nan 8.230 nan 0.000 0.452 155 Y N 1.350 121.629 120.300 -0.036 0.000 2.176 155 Y HA -0.164 4.393 4.550 0.012 0.000 0.291 155 Y C 2.340 178.223 175.900 -0.029 0.000 1.122 155 Y CA 1.339 59.416 58.100 -0.037 0.000 1.128 155 Y CB -0.132 38.306 38.460 -0.037 0.000 1.005 155 Y HN 0.151 nan 8.280 nan 0.000 0.509 156 E N 0.349 120.432 120.200 -0.195 0.000 2.110 156 E HA -0.188 4.168 4.350 0.010 0.000 0.193 156 E C 2.311 178.792 176.600 -0.199 0.000 0.988 156 E CA 1.074 57.324 56.400 -0.250 0.000 0.804 156 E CB -0.321 29.332 29.700 -0.078 0.000 0.745 156 E HN 0.563 nan 8.360 nan 0.000 0.458 157 A N 0.998 123.743 122.820 -0.125 0.000 1.933 157 A HA -0.170 4.157 4.320 0.010 0.000 0.218 157 A C 2.134 179.650 177.584 -0.113 0.000 1.175 157 A CA 1.171 53.150 52.037 -0.097 0.000 0.628 157 A CB -0.366 18.594 19.000 -0.068 0.000 0.814 157 A HN 0.157 nan 8.150 nan 0.000 0.444 158 M N -1.072 118.442 119.600 -0.143 0.000 2.099 158 M HA -0.218 4.268 4.480 0.010 0.000 0.262 158 M C 2.493 178.700 176.300 -0.156 0.000 1.067 158 M CA 1.686 56.907 55.300 -0.132 0.000 1.124 158 M CB -0.335 32.192 32.600 -0.122 0.000 1.353 158 M HN 0.523 nan 8.290 nan 0.000 0.410 159 Q N -0.614 119.029 119.800 -0.260 0.000 2.096 159 Q HA -0.241 4.105 4.340 0.010 0.000 0.204 159 Q C 2.057 177.986 176.000 -0.119 0.000 0.982 159 Q CA 1.634 57.313 55.803 -0.207 0.000 0.850 159 Q CB -0.294 28.262 28.738 -0.303 0.000 0.901 159 Q HN 0.448 nan 8.270 nan 0.000 0.422 160 R N 0.011 120.441 120.500 -0.118 0.000 2.092 160 R HA -0.087 4.259 4.340 0.010 0.000 0.231 160 R C 2.078 178.347 176.300 -0.051 0.000 1.119 160 R CA 1.511 57.566 56.100 -0.074 0.000 0.970 160 R CB 0.008 30.266 30.300 -0.069 0.000 0.864 160 R HN 0.057 nan 8.270 nan 0.000 0.440 161 S N 0.602 116.270 115.700 -0.054 0.000 2.406 161 S HA -0.063 4.414 4.470 0.010 0.000 0.228 161 S C 0.084 174.669 174.600 -0.024 0.000 1.020 161 S CA 0.769 58.949 58.200 -0.033 0.000 0.965 161 S CB 0.078 63.256 63.200 -0.036 0.000 0.798 161 S HN 0.419 nan 8.310 nan 0.000 0.488 162 Q N -0.493 119.289 119.800 -0.031 0.000 2.453 162 Q HA -0.156 4.190 4.340 0.010 0.000 0.294 162 Q C 0.402 176.396 176.000 -0.009 0.000 1.295 162 Q CA 0.290 56.083 55.803 -0.016 0.000 0.853 162 Q CB -1.994 26.736 28.738 -0.013 0.000 1.193 162 Q HN 0.367 nan 8.270 nan 0.000 0.461 163 V N -1.022 118.881 119.914 -0.017 0.000 2.922 163 V HA 0.093 4.219 4.120 0.010 0.000 0.242 163 V C 0.957 177.039 176.094 -0.021 0.000 1.094 163 V CA 1.006 63.298 62.300 -0.013 0.000 1.106 163 V CB 0.277 32.091 31.823 -0.016 0.000 0.799 163 V HN 0.294 nan 8.190 nan 0.000 0.474 164 L N 0.029 121.227 121.223 -0.042 0.000 2.344 164 L HA 0.449 4.795 4.340 0.010 0.000 0.272 164 L C 0.247 177.087 176.870 -0.051 0.000 1.035 164 L CA -0.783 54.011 54.840 -0.077 0.000 0.807 164 L CB 0.801 42.777 42.059 -0.138 0.000 1.237 164 L HN 0.059 nan 8.230 nan 0.000 0.442 165 E N 0.809 120.966 120.200 -0.071 0.000 2.608 165 E HA -0.190 4.166 4.350 0.010 0.000 0.259 165 E C 0.384 176.999 176.600 0.026 0.000 0.951 165 E CA 0.582 56.993 56.400 0.018 0.000 0.945 165 E CB 0.367 30.105 29.700 0.064 0.000 0.916 165 E HN 0.463 nan 8.360 nan 0.000 0.477 166 Y N 4.304 124.602 120.300 -0.002 0.000 2.114 166 Y HA -0.333 4.223 4.550 0.010 0.000 0.282 166 Y C 1.860 177.773 175.900 0.022 0.000 1.165 166 Y CA 2.668 60.773 58.100 0.007 0.000 1.148 166 Y CB -0.098 38.373 38.460 0.018 0.000 0.972 166 Y HN 0.639 nan 8.280 nan 0.000 0.504 167 D N -0.337 120.040 120.400 -0.039 0.000 2.149 167 D HA -0.200 4.446 4.640 0.010 0.000 0.198 167 D C 2.068 178.297 176.300 -0.117 0.000 0.990 167 D CA 1.310 55.249 54.000 -0.100 0.000 0.839 167 D CB -0.361 40.498 40.800 0.098 0.000 0.948 167 D HN 0.396 nan 8.370 nan 0.000 0.460 168 L N 0.388 121.532 121.223 -0.131 0.000 2.093 168 L HA -0.078 4.268 4.340 0.010 0.000 0.208 168 L C 2.068 178.812 176.870 -0.210 0.000 1.085 168 L CA 1.613 56.294 54.840 -0.265 0.000 0.755 168 L CB -0.633 40.985 42.059 -0.736 0.000 0.904 168 L HN 0.085 nan 8.230 nan 0.000 0.435 169 Q N -0.986 118.697 119.800 -0.196 0.000 2.084 169 Q HA -0.225 4.122 4.340 0.010 0.000 0.202 169 Q C 2.135 178.090 176.000 -0.075 0.000 0.978 169 Q CA 1.655 57.394 55.803 -0.106 0.000 0.844 169 Q CB -0.142 28.544 28.738 -0.087 0.000 0.898 169 Q HN 0.582 nan 8.270 nan 0.000 0.426 170 Q N 0.196 119.851 119.800 -0.242 0.000 2.167 170 Q HA -0.078 4.268 4.340 0.010 0.000 0.202 170 Q C 1.823 177.727 176.000 -0.160 0.000 0.970 170 Q CA 1.115 56.780 55.803 -0.229 0.000 0.855 170 Q CB -0.103 28.417 28.738 -0.363 0.000 0.911 170 Q HN 0.346 nan 8.270 nan 0.000 0.438 171 R N -0.018 120.406 120.500 -0.126 0.000 2.235 171 R HA 0.064 4.410 4.340 0.010 0.000 0.213 171 R C 1.662 177.909 176.300 -0.089 0.000 1.059 171 R CA 0.508 56.556 56.100 -0.087 0.000 0.997 171 R CB 0.100 30.375 30.300 -0.041 0.000 0.884 171 R HN 0.179 nan 8.270 nan 0.000 0.462 172 L N 0.017 121.187 121.223 -0.089 0.000 2.693 172 L HA 0.135 4.481 4.340 0.010 0.000 0.235 172 L C 2.056 178.875 176.870 -0.085 0.000 1.127 172 L CA -0.034 54.765 54.840 -0.068 0.000 0.914 172 L CB 0.070 42.104 42.059 -0.042 0.000 1.193 172 L HN 0.030 nan 8.230 nan 0.000 0.502 173 K N 1.608 121.905 120.400 -0.170 0.000 2.032 173 K HA -0.219 4.108 4.320 0.010 0.000 0.209 173 K C 2.119 178.500 176.600 -0.364 0.000 1.048 173 K CA 1.746 57.771 56.287 -0.437 0.000 0.927 173 K CB -0.032 32.069 32.500 -0.664 0.000 0.712 173 K HN 0.282 nan 8.250 nan 0.000 0.441 174 A N 1.172 123.845 122.820 -0.245 0.000 1.933 174 A HA -0.177 4.149 4.320 0.010 0.000 0.218 174 A C 1.898 179.406 177.584 -0.127 0.000 1.175 174 A CA 1.761 53.691 52.037 -0.179 0.000 0.628 174 A CB -0.301 18.614 19.000 -0.142 0.000 0.814 174 A HN 0.357 nan 8.150 nan 0.000 0.444 175 K N -1.178 119.158 120.400 -0.107 0.000 2.098 175 K HA 0.083 4.409 4.320 0.010 0.000 0.203 175 K C 1.994 178.575 176.600 -0.031 0.000 1.051 175 K CA 1.051 57.297 56.287 -0.069 0.000 0.957 175 K CB -0.180 32.279 32.500 -0.069 0.000 0.738 175 K HN 0.344 nan 8.250 nan 0.000 0.447 176 M N 0.828 120.419 119.600 -0.015 0.000 2.229 176 M HA -0.064 4.422 4.480 0.010 0.000 0.264 176 M C 1.983 178.315 176.300 0.053 0.000 1.063 176 M CA 1.383 56.706 55.300 0.039 0.000 1.114 176 M CB -0.701 31.961 32.600 0.104 0.000 1.387 176 M HN -0.027 nan 8.290 nan 0.000 0.420 177 S N 1.172 116.883 115.700 0.017 0.000 2.419 177 S HA -0.015 4.461 4.470 0.010 0.000 0.233 177 S C 1.973 176.579 174.600 0.009 0.000 1.016 177 S CA 0.865 59.081 58.200 0.027 0.000 0.974 177 S CB -0.343 62.822 63.200 -0.058 0.000 0.786 177 S HN 0.459 nan 8.310 nan 0.000 0.492 178 L N 1.181 122.398 121.223 -0.009 0.000 2.291 178 L HA 0.047 4.393 4.340 0.010 0.000 0.214 178 L C 0.290 177.160 176.870 0.000 0.000 1.120 178 L CA 0.310 55.145 54.840 -0.008 0.000 0.799 178 L CB -0.474 41.576 42.059 -0.014 0.000 0.925 178 L HN 0.110 nan 8.230 nan 0.000 0.446 179 V N 0.857 120.774 119.914 0.005 0.000 2.461 179 V HA 0.231 4.357 4.120 0.010 0.000 0.275 179 V C -0.002 176.085 176.094 -0.012 0.000 1.047 179 V CA -0.423 61.874 62.300 -0.004 0.000 0.955 179 V CB 1.223 33.044 31.823 -0.002 0.000 0.988 179 V HN 0.148 nan 8.190 nan 0.000 0.471 180 K N 5.641 126.023 120.400 -0.030 0.000 2.468 180 K HA 0.594 4.920 4.320 0.010 0.000 0.252 180 K C -2.942 173.616 176.600 -0.069 0.000 0.932 180 K CA -1.799 54.466 56.287 -0.036 0.000 0.794 180 K CB 2.584 35.072 32.500 -0.020 0.000 1.241 180 K HN 0.393 nan 8.250 nan 0.000 0.428 181 P HA 0.141 nan 4.420 nan 0.000 0.275 181 P C -0.803 176.452 177.300 -0.076 0.000 1.228 181 P CA -0.329 62.710 63.100 -0.102 0.000 0.786 181 P CB 0.555 32.209 31.700 -0.076 0.000 0.927 182 L N 4.436 125.585 121.223 -0.123 0.000 2.436 182 L HA 0.333 4.679 4.340 0.010 0.000 0.265 182 L C -1.756 175.185 176.870 0.119 0.000 1.168 182 L CA -2.049 52.767 54.840 -0.041 0.000 0.815 182 L CB 0.061 42.020 42.059 -0.168 0.000 1.109 182 L HN 0.268 nan 8.230 nan 0.000 0.462 183 P HA 0.018 nan 4.420 nan 0.000 0.269 183 P C -0.694 176.760 177.300 0.257 0.000 1.215 183 P CA -0.066 63.121 63.100 0.145 0.000 0.780 183 P CB 1.485 33.245 31.700 0.101 0.000 0.898 184 S N 0.961 116.766 115.700 0.176 0.000 2.841 184 S HA 0.580 5.056 4.470 0.010 0.000 0.318 184 S C -0.499 174.129 174.600 0.047 0.000 1.127 184 S CA -0.984 57.326 58.200 0.183 0.000 0.883 184 S CB 0.668 63.993 63.200 0.208 0.000 1.271 184 S HN 0.273 nan 8.310 nan 0.000 0.567 185 I N 2.954 123.532 120.570 0.012 0.000 2.312 185 I HA 0.279 4.455 4.170 0.010 0.000 0.291 185 I C -1.263 174.792 176.117 -0.104 0.000 1.031 185 I CA -0.417 60.768 61.300 -0.192 0.000 1.293 185 I CB 0.718 38.467 38.000 -0.417 0.000 1.403 185 I HN 0.525 nan 8.210 nan 0.000 0.484 186 Y N 8.374 128.565 120.300 -0.181 0.000 2.388 186 Y HA 0.375 4.929 4.550 0.008 0.000 0.328 186 Y C -1.352 174.652 175.900 0.174 0.000 0.963 186 Y CA -1.433 56.645 58.100 -0.037 0.000 1.240 186 Y CB 0.454 38.929 38.460 0.025 0.000 1.118 186 Y HN 0.358 nan 8.280 nan 0.000 0.484 187 Y N 9.166 129.421 120.300 -0.076 0.000 2.717 187 Y HA 0.227 4.782 4.550 0.009 0.000 0.329 187 Y C -1.561 174.253 175.900 -0.143 0.000 1.017 187 Y CA -2.505 55.538 58.100 -0.096 0.000 1.275 187 Y CB 1.004 39.555 38.460 0.152 0.000 1.109 187 Y HN 0.548 nan 8.280 nan 0.000 0.511 188 P HA -0.336 nan 4.420 nan 0.000 0.219 188 P C 1.398 178.709 177.300 0.018 0.000 1.161 188 P CA 1.775 64.686 63.100 -0.314 0.000 0.909 188 P CB 0.281 31.796 31.700 -0.308 0.000 0.793 189 D N -1.945 118.454 120.400 -0.002 0.000 2.354 189 D HA -0.152 4.494 4.640 0.010 0.000 0.216 189 D C 1.248 177.452 176.300 -0.160 0.000 0.970 189 D CA 0.778 54.717 54.000 -0.103 0.000 0.905 189 D CB -0.231 40.434 40.800 -0.225 0.000 0.903 189 D HN 0.174 nan 8.370 nan 0.000 0.508 190 F N 0.516 120.514 119.950 0.081 0.000 2.664 190 F HA 0.182 4.716 4.527 0.012 0.000 0.296 190 F C 1.476 177.340 175.800 0.107 0.000 1.125 190 F CA 0.206 58.267 58.000 0.101 0.000 1.444 190 F CB 0.146 39.226 39.000 0.134 0.000 1.114 190 F HN -0.046 nan 8.300 nan 0.000 0.576 191 I N -3.158 117.569 120.570 0.260 0.000 3.522 191 I HA 0.764 4.940 4.170 0.010 0.000 0.292 191 I C -0.029 176.148 176.117 0.099 0.000 1.147 191 I CA -1.906 59.507 61.300 0.189 0.000 1.032 191 I CB 0.711 38.842 38.000 0.219 0.000 1.337 191 I HN -0.319 nan 8.210 nan 0.000 0.496 192 A N 0.950 123.792 122.820 0.037 0.000 2.491 192 A HA 0.514 4.840 4.320 0.010 0.000 0.261 192 A C 1.327 178.885 177.584 -0.043 0.000 1.101 192 A CA 0.286 52.294 52.037 -0.049 0.000 0.772 192 A CB 0.191 19.094 19.000 -0.161 0.000 1.043 192 A HN 1.046 nan 8.150 nan 0.000 0.501 193 A N 3.048 125.851 122.820 -0.030 0.000 2.009 193 A HA -0.283 4.043 4.320 0.010 0.000 0.222 193 A C 1.754 179.328 177.584 -0.017 0.000 1.175 193 A CA 2.044 54.083 52.037 0.002 0.000 0.651 193 A CB -1.074 17.921 19.000 -0.007 0.000 0.815 193 A HN 1.067 nan 8.150 nan 0.000 0.459 194 N N -1.273 117.355 118.700 -0.120 0.000 2.635 194 N HA -0.127 4.620 4.740 0.010 0.000 0.191 194 N C 0.375 175.837 175.510 -0.079 0.000 1.155 194 N CA 0.543 53.513 53.050 -0.135 0.000 0.927 194 N CB -0.091 38.160 38.487 -0.395 0.000 0.976 194 N HN 0.442 nan 8.380 nan 0.000 0.448 195 Q N 0.504 120.264 119.800 -0.067 0.000 2.217 195 Q HA 0.081 4.428 4.340 0.010 0.000 0.226 195 Q C 0.151 176.129 176.000 -0.035 0.000 0.875 195 Q CA 0.080 55.854 55.803 -0.049 0.000 0.974 195 Q CB 0.555 29.261 28.738 -0.053 0.000 1.079 195 Q HN 0.453 nan 8.270 nan 0.000 0.463 196 D N 1.307 121.732 120.400 0.041 0.000 2.216 196 D HA -0.100 4.546 4.640 0.010 0.000 0.208 196 D C 1.133 177.458 176.300 0.043 0.000 0.960 196 D CA 0.722 54.787 54.000 0.109 0.000 0.861 196 D CB 0.707 41.591 40.800 0.140 0.000 0.985 196 D HN 0.526 nan 8.370 nan 0.000 0.493 197 E N -0.061 120.152 120.200 0.023 0.000 2.479 197 E HA 0.022 4.378 4.350 0.010 0.000 0.193 197 E C 1.957 178.546 176.600 -0.018 0.000 1.049 197 E CA -0.167 56.242 56.400 0.015 0.000 0.870 197 E CB 0.065 29.783 29.700 0.030 0.000 0.944 197 E HN 0.018 nan 8.360 nan 0.000 0.492 198 R N 1.301 121.769 120.500 -0.054 0.000 2.200 198 R HA 0.150 4.496 4.340 0.010 0.000 0.208 198 R C 0.385 176.606 176.300 -0.131 0.000 1.033 198 R CA 0.642 56.697 56.100 -0.076 0.000 1.000 198 R CB 0.154 30.409 30.300 -0.075 0.000 0.906 198 R HN 0.142 nan 8.270 nan 0.000 0.462 199 A N 2.640 125.334 122.820 -0.209 0.000 2.805 199 A HA 0.069 4.395 4.320 0.010 0.000 0.301 199 A C -0.414 177.114 177.584 -0.092 0.000 1.557 199 A CA -0.479 51.399 52.037 -0.266 0.000 1.254 199 A CB -0.336 18.282 19.000 -0.637 0.000 1.114 199 A HN 0.578 nan 8.150 nan 0.000 0.553 200 N N 0.841 119.507 118.700 -0.057 0.000 2.238 200 N HA 0.024 4.771 4.740 0.010 0.000 0.235 200 N C -0.484 175.027 175.510 0.001 0.000 1.209 200 N CA -0.242 52.802 53.050 -0.010 0.000 0.879 200 N CB -0.097 38.385 38.487 -0.008 0.000 1.136 200 N HN 0.558 nan 8.380 nan 0.000 0.517 201 N N 0.250 118.947 118.700 -0.005 0.000 2.752 201 N HA 0.265 5.011 4.740 0.010 0.000 0.260 201 N C -1.472 174.061 175.510 0.037 0.000 1.562 201 N CA -0.388 52.671 53.050 0.016 0.000 0.788 201 N CB 0.371 38.861 38.487 0.005 0.000 1.192 201 N HN 0.095 nan 8.380 nan 0.000 0.503 202 C N 1.481 120.814 119.300 0.055 0.000 2.493 202 C HA 0.447 4.913 4.460 0.010 0.000 0.326 202 C C 1.953 176.972 174.990 0.049 0.000 1.200 202 C CA -0.784 58.275 59.018 0.068 0.000 1.739 202 C CB 0.630 28.440 27.740 0.117 0.000 2.300 202 C HN 0.673 nan 8.230 nan 0.000 0.500 203 I N 0.518 121.096 120.570 0.015 0.000 3.265 203 I HA 0.095 4.271 4.170 0.010 0.000 0.282 203 I C 0.949 177.054 176.117 -0.021 0.000 1.207 203 I CA 0.516 61.822 61.300 0.010 0.000 1.449 203 I CB -0.333 37.668 38.000 0.001 0.000 1.121 203 I HN 0.707 nan 8.210 nan 0.000 0.442 204 N N 4.344 122.956 118.700 -0.147 0.000 2.819 204 N HA 0.227 4.973 4.740 0.010 0.000 0.284 204 N C -0.858 174.678 175.510 0.044 0.000 1.196 204 N CA 0.187 53.114 53.050 -0.205 0.000 1.114 204 N CB 0.387 38.543 38.487 -0.552 0.000 1.437 204 N HN 0.473 nan 8.380 nan 0.000 0.518 205 L N 0.728 122.010 121.223 0.099 0.000 2.362 205 L HA 0.390 4.737 4.340 0.010 0.000 0.271 205 L C 0.051 176.983 176.870 0.103 0.000 1.002 205 L CA -1.226 53.670 54.840 0.094 0.000 0.818 205 L CB 1.762 43.867 42.059 0.076 0.000 1.298 205 L HN 0.309 nan 8.230 nan 0.000 0.420 206 D N -0.243 120.207 120.400 0.082 0.000 2.478 206 D HA 0.017 4.663 4.640 0.010 0.000 0.274 206 D C 0.794 177.127 176.300 0.054 0.000 1.234 206 D CA -0.521 53.520 54.000 0.068 0.000 1.069 206 D CB 0.545 41.377 40.800 0.052 0.000 1.113 206 D HN 0.522 nan 8.370 nan 0.000 0.571 207 E N -0.203 120.023 120.200 0.043 0.000 2.153 207 E HA -0.199 4.157 4.350 0.010 0.000 0.194 207 E C 0.722 177.342 176.600 0.033 0.000 0.988 207 E CA 0.940 57.361 56.400 0.036 0.000 0.811 207 E CB -0.015 29.702 29.700 0.028 0.000 0.746 207 E HN 0.436 nan 8.360 nan 0.000 0.466 208 K N -0.221 120.198 120.400 0.032 0.000 2.589 208 K HA 0.115 4.441 4.320 0.010 0.000 0.204 208 K C 0.917 177.537 176.600 0.034 0.000 1.029 208 K CA 0.429 56.733 56.287 0.029 0.000 1.177 208 K CB -0.067 32.449 32.500 0.026 0.000 0.902 208 K HN 0.235 nan 8.250 nan 0.000 0.501 209 G N 1.757 110.581 108.800 0.040 0.000 2.200 209 G HA2 -0.282 3.684 3.960 0.010 0.000 0.267 209 G HA3 -0.282 3.684 3.960 0.010 0.000 0.267 209 G C -0.115 174.816 174.900 0.050 0.000 0.993 209 G CA 0.217 45.344 45.100 0.045 0.000 0.701 209 G HN 0.398 nan 8.290 nan 0.000 0.524 210 N N -0.600 118.131 118.700 0.050 0.000 2.508 210 N HA 0.421 5.167 4.740 0.010 0.000 0.285 210 N C 0.408 175.957 175.510 0.065 0.000 1.144 210 N CA -0.470 52.613 53.050 0.054 0.000 0.978 210 N CB 1.780 40.293 38.487 0.043 0.000 1.180 210 N HN -0.016 nan 8.380 nan 0.000 0.484 211 V N 1.049 121.007 119.914 0.073 0.000 2.521 211 V HA 0.107 4.233 4.120 0.010 0.000 0.286 211 V C 0.887 177.013 176.094 0.053 0.000 1.034 211 V CA 0.452 62.800 62.300 0.081 0.000 1.045 211 V CB 0.820 32.708 31.823 0.108 0.000 0.974 211 V HN 0.683 nan 8.190 nan 0.000 0.480 212 T N 2.139 116.737 114.554 0.073 0.000 2.906 212 T HA 0.450 4.806 4.350 0.010 0.000 0.295 212 T C 0.610 175.352 174.700 0.069 0.000 1.075 212 T CA 0.137 62.272 62.100 0.058 0.000 1.005 212 T CB 1.957 70.870 68.868 0.076 0.000 1.136 212 T HN 0.821 nan 8.240 nan 0.000 0.498 213 T N 0.073 114.596 114.554 -0.052 0.000 3.134 213 T HA 0.330 4.686 4.350 0.010 0.000 0.260 213 T C 0.586 175.205 174.700 -0.135 0.000 1.027 213 T CA -0.433 61.494 62.100 -0.288 0.000 0.913 213 T CB -0.124 68.466 68.868 -0.464 0.000 1.046 213 T HN 0.546 nan 8.240 nan 0.000 0.553 214 R N 0.624 121.129 120.500 0.007 0.000 2.368 214 R HA 0.520 4.867 4.340 0.010 0.000 0.302 214 R C 0.751 177.042 176.300 -0.015 0.000 1.002 214 R CA 0.584 56.680 56.100 -0.008 0.000 0.929 214 R CB 0.341 30.638 30.300 -0.005 0.000 1.073 214 R HN 0.404 nan 8.270 nan 0.000 0.464 215 G N 3.332 112.063 108.800 -0.115 0.000 2.130 215 G HA2 -0.234 3.733 3.960 0.010 0.000 0.216 215 G HA3 -0.234 3.733 3.960 0.010 0.000 0.216 215 G C 0.561 175.092 174.900 -0.615 0.000 0.999 215 G CA 0.246 45.190 45.100 -0.260 0.000 0.686 215 G HN 0.755 nan 8.290 nan 0.000 0.515 216 K N -1.047 119.162 120.400 -0.318 0.000 2.173 216 K HA -0.170 4.156 4.320 0.010 0.000 0.207 216 K C 1.979 178.512 176.600 -0.112 0.000 1.046 216 K CA 1.668 57.881 56.287 -0.123 0.000 0.929 216 K CB -0.106 32.457 32.500 0.105 0.000 0.720 216 K HN 0.648 nan 8.250 nan 0.000 0.453 217 W N 2.133 123.318 121.300 -0.192 0.000 2.418 217 W HA -0.161 4.505 4.660 0.010 0.000 0.292 217 W C 1.954 178.394 176.519 -0.131 0.000 1.213 217 W CA 2.057 59.327 57.345 -0.126 0.000 1.283 217 W CB -0.219 29.184 29.460 -0.095 0.000 1.119 217 W HN 0.193 nan 8.180 nan 0.000 0.542 218 T N -2.125 112.380 114.554 -0.080 0.000 2.962 218 T HA -0.211 4.145 4.350 0.010 0.000 0.270 218 T C 1.516 176.156 174.700 -0.099 0.000 1.088 218 T CA 1.532 63.585 62.100 -0.078 0.000 1.127 218 T CB -0.689 68.159 68.868 -0.033 0.000 0.883 218 T HN 0.077 nan 8.240 nan 0.000 0.493 219 H N 0.952 119.957 119.070 -0.109 0.000 2.326 219 H HA 0.193 4.755 4.556 0.010 0.000 0.301 219 H C 2.353 177.487 175.328 -0.323 0.000 1.081 219 H CA 1.153 57.101 56.048 -0.166 0.000 1.334 219 H CB -0.918 28.785 29.762 -0.099 0.000 1.385 219 H HN 0.324 nan 8.280 nan 0.000 0.504 220 L N 0.713 121.756 121.223 -0.299 0.000 2.012 220 L HA -0.230 4.116 4.340 0.010 0.000 0.210 220 L C 2.258 178.846 176.870 -0.470 0.000 1.073 220 L CA 1.438 55.981 54.840 -0.495 0.000 0.748 220 L CB -0.101 41.525 42.059 -0.723 0.000 0.891 220 L HN 0.183 nan 8.230 nan 0.000 0.431 221 Q N -0.311 119.202 119.800 -0.479 0.000 2.170 221 Q HA -0.244 4.102 4.340 0.010 0.000 0.203 221 Q C 2.229 178.143 176.000 -0.145 0.000 0.976 221 Q CA 1.388 57.014 55.803 -0.294 0.000 0.858 221 Q CB -0.333 28.285 28.738 -0.201 0.000 0.907 221 Q HN 0.418 nan 8.270 nan 0.000 0.433 222 R N 0.852 121.280 120.500 -0.121 0.000 2.115 222 R HA -0.033 4.313 4.340 0.010 0.000 0.226 222 R C 1.913 178.191 176.300 -0.038 0.000 1.100 222 R CA 0.835 56.909 56.100 -0.042 0.000 0.980 222 R CB -0.368 29.927 30.300 -0.008 0.000 0.875 222 R HN 0.104 nan 8.270 nan 0.000 0.445 223 I N 0.870 121.338 120.570 -0.171 0.000 2.202 223 I HA -0.159 4.017 4.170 0.010 0.000 0.242 223 I C 2.098 178.218 176.117 0.004 0.000 1.091 223 I CA 1.346 62.534 61.300 -0.187 0.000 1.368 223 I CB -1.003 36.625 38.000 -0.621 0.000 1.058 223 I HN 0.220 nan 8.210 nan 0.000 0.410 224 R N 0.423 120.880 120.500 -0.072 0.000 2.091 224 R HA -0.214 4.132 4.340 0.010 0.000 0.238 224 R C 2.347 178.681 176.300 0.057 0.000 1.136 224 R CA 1.508 57.603 56.100 -0.008 0.000 0.959 224 R CB -0.466 29.795 30.300 -0.066 0.000 0.856 224 R HN 0.223 nan 8.270 nan 0.000 0.437 225 R N 1.576 122.103 120.500 0.045 0.000 2.081 225 R HA -0.125 4.221 4.340 0.010 0.000 0.235 225 R C 1.411 177.782 176.300 0.119 0.000 1.131 225 R CA 1.949 58.092 56.100 0.070 0.000 0.960 225 R CB -0.534 29.798 30.300 0.053 0.000 0.856 225 R HN 0.140 nan 8.270 nan 0.000 0.436 226 D N 0.224 120.730 120.400 0.177 0.000 2.144 226 D HA -0.132 4.514 4.640 0.010 0.000 0.199 226 D C 1.962 178.396 176.300 0.224 0.000 0.984 226 D CA 1.733 55.869 54.000 0.227 0.000 0.834 226 D CB -0.100 40.966 40.800 0.444 0.000 0.955 226 D HN 0.360 nan 8.370 nan 0.000 0.465 227 I N 0.771 121.507 120.570 0.278 0.000 2.202 227 I HA -0.262 3.914 4.170 0.010 0.000 0.242 227 I C 2.485 178.732 176.117 0.218 0.000 1.091 227 I CA 0.970 62.434 61.300 0.273 0.000 1.368 227 I CB -0.266 37.896 38.000 0.269 0.000 1.058 227 I HN -0.059 nan 8.210 nan 0.000 0.410 228 Q N 0.533 120.424 119.800 0.151 0.000 2.061 228 Q HA -0.260 4.086 4.340 0.010 0.000 0.204 228 Q C 1.989 178.046 176.000 0.094 0.000 0.984 228 Q CA 2.156 58.021 55.803 0.104 0.000 0.846 228 Q CB -0.341 28.442 28.738 0.075 0.000 0.902 228 Q HN 0.455 nan 8.270 nan 0.000 0.421 229 N N 0.122 118.887 118.700 0.108 0.000 2.084 229 N HA -0.201 4.546 4.740 0.010 0.000 0.190 229 N C 1.439 177.013 175.510 0.106 0.000 1.030 229 N CA 1.033 54.136 53.050 0.090 0.000 0.849 229 N CB -0.207 38.334 38.487 0.090 0.000 1.012 229 N HN 0.189 nan 8.380 nan 0.000 0.423 230 F N 1.461 121.404 119.950 -0.012 0.000 2.095 230 F HA -0.098 4.436 4.527 0.011 0.000 0.298 230 F C 2.161 177.950 175.800 -0.018 0.000 1.104 230 F CA 1.525 59.503 58.000 -0.037 0.000 1.232 230 F CB -0.418 38.539 39.000 -0.072 0.000 0.987 230 F HN -0.006 nan 8.300 nan 0.000 0.475 231 K N 0.069 120.422 120.400 -0.078 0.000 1.985 231 K HA -0.260 4.067 4.320 0.010 0.000 0.210 231 K C 2.266 178.777 176.600 -0.148 0.000 1.047 231 K CA 1.903 58.094 56.287 -0.160 0.000 0.932 231 K CB -0.399 32.098 32.500 -0.006 0.000 0.716 231 K HN 0.426 nan 8.250 nan 0.000 0.439 232 E N 0.845 121.006 120.200 -0.064 0.000 2.051 232 E HA -0.256 4.100 4.350 0.010 0.000 0.192 232 E C 1.944 178.501 176.600 -0.072 0.000 0.991 232 E CA 1.503 57.873 56.400 -0.050 0.000 0.799 232 E CB -0.029 29.664 29.700 -0.012 0.000 0.748 232 E HN 0.305 nan 8.360 nan 0.000 0.449 233 E N -0.041 120.116 120.200 -0.072 0.000 2.219 233 E HA -0.236 4.121 4.350 0.010 0.000 0.198 233 E C 0.865 177.395 176.600 -0.116 0.000 0.998 233 E CA 1.619 57.978 56.400 -0.069 0.000 0.818 233 E CB -0.049 29.634 29.700 -0.030 0.000 0.741 233 E HN 0.303 nan 8.360 nan 0.000 0.477 234 N N -0.589 117.982 118.700 -0.215 0.000 2.184 234 N HA 0.258 5.005 4.740 0.010 0.000 0.206 234 N C -0.539 174.871 175.510 -0.167 0.000 1.151 234 N CA 0.558 53.473 53.050 -0.224 0.000 0.878 234 N CB 1.354 39.598 38.487 -0.404 0.000 1.014 234 N HN 0.224 nan 8.380 nan 0.000 0.512 235 A N 0.613 123.350 122.820 -0.139 0.000 2.578 235 A HA -0.191 4.136 4.320 0.010 0.000 0.298 235 A C -0.534 176.993 177.584 -0.096 0.000 1.472 235 A CA 0.541 52.523 52.037 -0.091 0.000 0.734 235 A CB -2.253 16.711 19.000 -0.061 0.000 1.091 235 A HN 0.270 nan 8.150 nan 0.000 0.426 236 L N 0.075 121.220 121.223 -0.130 0.000 2.334 236 L HA 0.511 4.857 4.340 0.010 0.000 0.276 236 L C 0.873 177.709 176.870 -0.058 0.000 1.014 236 L CA -0.903 53.873 54.840 -0.106 0.000 0.815 236 L CB 1.465 43.416 42.059 -0.180 0.000 1.268 236 L HN 0.457 nan 8.230 nan 0.000 0.428 237 D N 0.687 121.073 120.400 -0.024 0.000 2.323 237 D HA 0.049 4.696 4.640 0.010 0.000 0.218 237 D C 0.134 176.442 176.300 0.013 0.000 0.973 237 D CA 0.763 54.761 54.000 -0.004 0.000 0.890 237 D CB 0.682 41.483 40.800 0.001 0.000 1.011 237 D HN 0.398 nan 8.370 nan 0.000 0.499 238 K N 1.112 121.525 120.400 0.022 0.000 2.206 238 K HA 0.578 4.904 4.320 0.010 0.000 0.264 238 K C -0.892 175.747 176.600 0.065 0.000 0.967 238 K CA -0.471 55.843 56.287 0.044 0.000 0.844 238 K CB 3.183 35.713 32.500 0.050 0.000 1.099 238 K HN -0.218 nan 8.250 nan 0.000 0.441 239 V N 4.256 124.224 119.914 0.090 0.000 2.841 239 V HA 0.510 4.637 4.120 0.010 0.000 0.310 239 V C -0.772 175.388 176.094 0.110 0.000 1.090 239 V CA -0.853 61.527 62.300 0.134 0.000 0.930 239 V CB 2.128 34.079 31.823 0.213 0.000 1.014 239 V HN 0.653 nan 8.190 nan 0.000 0.425 240 I N 3.164 123.780 120.570 0.077 0.000 2.608 240 I HA 0.589 4.766 4.170 0.010 0.000 0.295 240 I C -0.958 175.197 176.117 0.064 0.000 1.049 240 I CA -0.981 60.355 61.300 0.062 0.000 1.063 240 I CB 2.389 40.385 38.000 -0.008 0.000 1.248 240 I HN 0.248 nan 8.210 nan 0.000 0.424 241 V N 6.465 126.457 119.914 0.131 0.000 2.459 241 V HA 0.516 4.642 4.120 0.010 0.000 0.295 241 V C -0.492 175.609 176.094 0.012 0.000 1.029 241 V CA -0.622 61.784 62.300 0.177 0.000 0.874 241 V CB 2.125 34.204 31.823 0.426 0.000 0.985 241 V HN 0.486 nan 8.190 nan 0.000 0.438 242 L N 4.659 125.860 121.223 -0.037 0.000 2.438 242 L HA 0.539 4.885 4.340 0.010 0.000 0.270 242 L C -1.105 175.709 176.870 -0.092 0.000 0.972 242 L CA -0.376 54.376 54.840 -0.146 0.000 0.831 242 L CB 1.651 43.634 42.059 -0.126 0.000 1.273 242 L HN 0.822 nan 8.230 nan 0.000 0.405 243 W N 5.459 126.564 121.300 -0.324 0.000 2.345 243 W HA 0.307 4.971 4.660 0.007 0.000 0.308 243 W C -0.620 175.797 176.519 -0.171 0.000 1.273 243 W CA -0.108 57.095 57.345 -0.237 0.000 1.243 243 W CB 1.479 30.801 29.460 -0.230 0.000 1.260 243 W HN 0.617 nan 8.180 nan 0.000 0.509 244 T N 4.782 119.042 114.554 -0.491 0.000 3.823 244 T HA 0.489 4.845 4.350 0.010 0.000 0.261 244 T C -0.435 173.983 174.700 -0.471 0.000 0.983 244 T CA -0.101 61.818 62.100 -0.301 0.000 1.151 244 T CB -0.908 67.858 68.868 -0.171 0.000 1.062 244 T HN 0.480 nan 8.240 nan 0.000 0.542 245 A N 1.470 123.761 122.820 -0.883 0.000 2.309 245 A HA 0.830 5.156 4.320 0.010 0.000 0.317 245 A C -0.036 177.457 177.584 -0.152 0.000 1.134 245 A CA -0.873 50.752 52.037 -0.688 0.000 0.866 245 A CB 0.518 18.736 19.000 -1.302 0.000 1.329 245 A HN 0.565 nan 8.150 nan 0.000 0.477 246 N N 0.927 119.601 118.700 -0.043 0.000 2.293 246 N HA 0.145 4.892 4.740 0.010 0.000 0.253 246 N C -0.090 175.578 175.510 0.263 0.000 1.248 246 N CA 0.809 53.919 53.050 0.101 0.000 0.845 246 N CB 0.062 38.590 38.487 0.068 0.000 1.073 246 N HN 0.549 nan 8.380 nan 0.000 0.464 247 T N 2.201 116.884 114.554 0.216 0.000 2.928 247 T HA 0.011 4.367 4.350 0.010 0.000 0.305 247 T C 0.514 175.334 174.700 0.200 0.000 1.035 247 T CA 0.178 62.406 62.100 0.215 0.000 1.145 247 T CB 0.179 69.139 68.868 0.153 0.000 0.963 247 T HN 0.355 nan 8.240 nan 0.000 0.545 248 E N 1.305 121.609 120.200 0.173 0.000 2.250 248 E HA 0.347 4.703 4.350 0.010 0.000 0.265 248 E C 0.258 176.971 176.600 0.189 0.000 1.033 248 E CA -1.000 55.514 56.400 0.190 0.000 0.888 248 E CB 0.938 30.711 29.700 0.123 0.000 1.151 248 E HN 0.552 nan 8.360 nan 0.000 0.412 249 R N 0.911 121.542 120.500 0.217 0.000 2.340 249 R HA 0.200 4.546 4.340 0.010 0.000 0.300 249 R C -0.715 175.741 176.300 0.260 0.000 1.069 249 R CA -0.473 55.737 56.100 0.183 0.000 0.984 249 R CB 0.235 30.580 30.300 0.075 0.000 1.003 249 R HN 0.514 nan 8.270 nan 0.000 0.459 250 Y N 1.948 122.261 120.300 0.022 0.000 2.903 250 Y HA -0.053 4.508 4.550 0.020 0.000 0.338 250 Y C 1.098 177.030 175.900 0.053 0.000 1.265 250 Y CA -0.400 57.711 58.100 0.018 0.000 1.532 250 Y CB 0.650 39.104 38.460 -0.011 0.000 1.293 250 Y HN 0.467 nan 8.280 nan 0.000 0.609 251 V N 0.843 120.863 119.914 0.176 0.000 2.713 251 V HA 0.372 4.499 4.120 0.010 0.000 0.307 251 V C -0.358 175.810 176.094 0.124 0.000 1.052 251 V CA -1.266 61.136 62.300 0.171 0.000 0.967 251 V CB 1.770 33.695 31.823 0.171 0.000 1.019 251 V HN 0.768 nan 8.190 nan 0.000 0.459 252 E N 1.922 122.188 120.200 0.109 0.000 2.194 252 E HA 0.398 4.755 4.350 0.010 0.000 0.284 252 E C -0.985 175.648 176.600 0.056 0.000 1.035 252 E CA -0.638 55.811 56.400 0.082 0.000 0.836 252 E CB 1.639 31.381 29.700 0.070 0.000 1.070 252 E HN 0.690 nan 8.360 nan 0.000 0.401 253 V N 5.583 125.522 119.914 0.041 0.000 2.338 253 V HA 0.081 4.207 4.120 0.010 0.000 0.255 253 V C -0.058 176.042 176.094 0.010 0.000 1.082 253 V CA -0.072 62.238 62.300 0.016 0.000 0.951 253 V CB -0.004 31.829 31.823 0.017 0.000 1.102 253 V HN 0.655 nan 8.190 nan 0.000 0.489 254 S N 5.809 121.506 115.700 -0.005 0.000 2.501 254 S HA 0.708 5.184 4.470 0.010 0.000 0.301 254 S C -2.867 171.718 174.600 -0.024 0.000 1.096 254 S CA -2.027 56.170 58.200 -0.005 0.000 1.063 254 S CB 1.968 65.174 63.200 0.011 0.000 1.042 254 S HN 0.384 nan 8.310 nan 0.000 0.494 255 P HA 0.298 nan 4.420 nan 0.000 0.266 255 P C 1.183 178.468 177.300 -0.024 0.000 1.195 255 P CA 1.221 64.311 63.100 -0.016 0.000 0.768 255 P CB 0.332 32.029 31.700 -0.006 0.000 0.838 256 G N 0.826 109.607 108.800 -0.030 0.000 2.268 256 G HA2 -0.291 3.675 3.960 0.010 0.000 0.240 256 G HA3 -0.291 3.675 3.960 0.010 0.000 0.240 256 G C 0.827 175.687 174.900 -0.066 0.000 1.010 256 G CA 0.408 45.487 45.100 -0.034 0.000 0.618 256 G HN 0.404 nan 8.290 nan 0.000 0.516 257 V N 1.076 120.925 119.914 -0.109 0.000 2.484 257 V HA 0.182 4.309 4.120 0.010 0.000 0.236 257 V C 1.546 177.540 176.094 -0.167 0.000 1.062 257 V CA 2.015 64.180 62.300 -0.224 0.000 1.081 257 V CB -0.265 31.303 31.823 -0.424 0.000 0.751 257 V HN 0.779 nan 8.190 nan 0.000 0.484 258 N N -0.117 118.512 118.700 -0.118 0.000 2.451 258 N HA 0.059 4.805 4.740 0.010 0.000 0.271 258 N C -0.043 175.446 175.510 -0.036 0.000 1.410 258 N CA 0.326 53.333 53.050 -0.071 0.000 0.884 258 N CB 0.373 38.818 38.487 -0.070 0.000 1.332 258 N HN 0.459 nan 8.380 nan 0.000 0.498 259 D N 0.269 120.651 120.400 -0.031 0.000 2.346 259 D HA -0.037 4.609 4.640 0.010 0.000 0.206 259 D C 0.655 176.953 176.300 -0.003 0.000 1.001 259 D CA 0.729 54.722 54.000 -0.012 0.000 0.871 259 D CB 0.073 40.867 40.800 -0.011 0.000 0.943 259 D HN 0.324 nan 8.370 nan 0.000 0.518 260 T N -3.119 111.430 114.554 -0.008 0.000 2.896 260 T HA 0.415 4.771 4.350 0.010 0.000 0.297 260 T C 1.148 175.843 174.700 -0.007 0.000 1.108 260 T CA -0.795 61.304 62.100 -0.001 0.000 1.004 260 T CB 1.725 70.592 68.868 -0.003 0.000 1.159 260 T HN 0.015 nan 8.240 nan 0.000 0.499 261 M N -0.028 119.568 119.600 -0.006 0.000 2.358 261 M HA 0.044 4.530 4.480 0.010 0.000 0.264 261 M C 1.191 177.476 176.300 -0.025 0.000 1.064 261 M CA 1.586 56.875 55.300 -0.018 0.000 1.093 261 M CB -0.737 31.838 32.600 -0.041 0.000 1.401 261 M HN 0.624 nan 8.290 nan 0.000 0.440 262 E N 1.282 121.465 120.200 -0.028 0.000 2.076 262 E HA -0.020 4.336 4.350 0.010 0.000 0.190 262 E C 1.854 178.439 176.600 -0.024 0.000 0.979 262 E CA 1.132 57.514 56.400 -0.030 0.000 0.807 262 E CB -0.218 29.463 29.700 -0.031 0.000 0.761 262 E HN 0.559 nan 8.360 nan 0.000 0.454 263 N N 0.617 119.303 118.700 -0.024 0.000 2.084 263 N HA -0.144 4.602 4.740 0.010 0.000 0.190 263 N C 1.879 177.372 175.510 -0.029 0.000 1.030 263 N CA 0.768 53.799 53.050 -0.031 0.000 0.849 263 N CB -0.360 38.104 38.487 -0.039 0.000 1.012 263 N HN 0.098 nan 8.380 nan 0.000 0.423 264 L N 1.619 122.829 121.223 -0.022 0.000 1.971 264 L HA -0.118 4.228 4.340 0.010 0.000 0.215 264 L C 2.143 179.034 176.870 0.035 0.000 1.072 264 L CA 1.474 56.308 54.840 -0.011 0.000 0.758 264 L CB -0.772 41.282 42.059 -0.009 0.000 0.889 264 L HN 0.104 nan 8.230 nan 0.000 0.433 265 L N -0.908 120.350 121.223 0.059 0.000 2.131 265 L HA -0.218 4.128 4.340 0.010 0.000 0.210 265 L C 2.623 179.564 176.870 0.117 0.000 1.092 265 L CA 1.254 56.190 54.840 0.160 0.000 0.759 265 L CB -0.527 41.617 42.059 0.142 0.000 0.903 265 L HN 0.442 nan 8.230 nan 0.000 0.435 266 Q N -0.125 119.687 119.800 0.021 0.000 2.049 266 Q HA -0.125 4.221 4.340 0.010 0.000 0.198 266 Q C 2.332 178.342 176.000 0.017 0.000 0.971 266 Q CA 2.067 57.857 55.803 -0.022 0.000 0.833 266 Q CB -0.170 28.547 28.738 -0.036 0.000 0.896 266 Q HN 0.334 nan 8.270 nan 0.000 0.434 267 S N 0.327 116.042 115.700 0.025 0.000 2.370 267 S HA -0.129 4.347 4.470 0.010 0.000 0.226 267 S C 1.882 176.549 174.600 0.112 0.000 1.033 267 S CA 1.366 59.598 58.200 0.052 0.000 1.011 267 S CB -0.412 62.763 63.200 -0.041 0.000 0.852 267 S HN 0.418 nan 8.310 nan 0.000 0.457 268 I N 1.325 121.975 120.570 0.132 0.000 2.264 268 I HA -0.241 3.936 4.170 0.010 0.000 0.248 268 I C 2.265 178.524 176.117 0.237 0.000 1.111 268 I CA 1.308 62.721 61.300 0.189 0.000 1.382 268 I CB -0.312 37.835 38.000 0.245 0.000 1.060 268 I HN 0.267 nan 8.210 nan 0.000 0.418 269 K N 0.574 121.100 120.400 0.210 0.000 2.228 269 K HA -0.047 4.279 4.320 0.010 0.000 0.202 269 K C 1.190 177.811 176.600 0.034 0.000 1.051 269 K CA 0.966 57.308 56.287 0.092 0.000 0.960 269 K CB -0.186 32.216 32.500 -0.164 0.000 0.743 269 K HN 0.441 nan 8.250 nan 0.000 0.458 270 N N 1.256 119.983 118.700 0.046 0.000 2.370 270 N HA -0.041 4.705 4.740 0.010 0.000 0.198 270 N C -0.878 174.661 175.510 0.048 0.000 1.156 270 N CA -0.154 52.918 53.050 0.037 0.000 0.839 270 N CB 0.371 38.892 38.487 0.057 0.000 0.989 270 N HN 0.029 nan 8.380 nan 0.000 0.468 271 D N 0.483 120.916 120.400 0.054 0.000 2.792 271 D HA -0.246 4.401 4.640 0.010 0.000 0.231 271 D C 0.023 176.341 176.300 0.030 0.000 1.160 271 D CA 0.987 55.001 54.000 0.022 0.000 0.697 271 D CB -1.688 39.095 40.800 -0.028 0.000 1.070 271 D HN 0.494 nan 8.370 nan 0.000 0.426 272 H N 0.861 119.934 119.070 0.005 0.000 3.038 272 H HA -0.016 4.545 4.556 0.010 0.000 0.338 272 H C 1.247 176.596 175.328 0.036 0.000 1.041 272 H CA 1.013 57.070 56.048 0.015 0.000 1.394 272 H CB 0.713 30.490 29.762 0.025 0.000 1.357 272 H HN 0.256 nan 8.280 nan 0.000 0.600 273 E N 2.794 122.910 120.200 -0.141 0.000 2.478 273 E HA -0.097 4.260 4.350 0.010 0.000 0.198 273 E C 0.745 177.551 176.600 0.342 0.000 1.046 273 E CA 0.395 56.831 56.400 0.061 0.000 0.870 273 E CB 0.260 29.899 29.700 -0.102 0.000 0.818 273 E HN 0.669 nan 8.360 nan 0.000 0.527 274 E N 0.382 120.933 120.200 0.584 0.000 2.465 274 E HA 0.041 4.397 4.350 0.010 0.000 0.191 274 E C -0.125 176.638 176.600 0.272 0.000 1.053 274 E CA -0.059 56.584 56.400 0.405 0.000 0.869 274 E CB 0.530 30.384 29.700 0.255 0.000 0.977 274 E HN 0.095 nan 8.360 nan 0.000 0.483 275 I N 1.895 122.620 120.570 0.258 0.000 2.306 275 I HA 0.268 4.444 4.170 0.010 0.000 0.288 275 I C 0.393 176.469 176.117 -0.068 0.000 1.036 275 I CA -0.446 60.906 61.300 0.087 0.000 1.221 275 I CB 0.453 38.516 38.000 0.105 0.000 1.385 275 I HN -0.105 nan 8.210 nan 0.000 0.472 276 A N 8.887 131.494 122.820 -0.355 0.000 2.252 276 A HA 0.643 4.970 4.320 0.010 0.000 0.305 276 A C -1.635 175.650 177.584 -0.498 0.000 1.097 276 A CA -1.278 50.188 52.037 -0.951 0.000 0.849 276 A CB 0.262 18.706 19.000 -0.926 0.000 1.142 276 A HN 0.454 nan 8.150 nan 0.000 0.499 277 P HA -0.181 nan 4.420 nan 0.000 0.215 277 P C 1.805 179.072 177.300 -0.055 0.000 1.153 277 P CA 2.347 65.230 63.100 -0.362 0.000 0.853 277 P CB 0.052 31.603 31.700 -0.249 0.000 0.788 278 S N -1.874 113.632 115.700 -0.322 0.000 2.382 278 S HA -0.154 4.322 4.470 0.010 0.000 0.228 278 S C 1.901 176.281 174.600 -0.367 0.000 1.027 278 S CA 1.960 59.828 58.200 -0.554 0.000 0.991 278 S CB -1.983 60.443 63.200 -1.290 0.000 0.823 278 S HN 0.092 nan 8.310 nan 0.000 0.469 279 T N 2.585 116.928 114.554 -0.351 0.000 2.759 279 T HA 0.093 4.449 4.350 0.010 0.000 0.269 279 T C 1.678 176.229 174.700 -0.249 0.000 1.042 279 T CA 1.568 63.498 62.100 -0.283 0.000 1.140 279 T CB -0.427 68.317 68.868 -0.206 0.000 0.864 279 T HN 0.447 nan 8.240 nan 0.000 0.455 280 I N -0.416 120.017 120.570 -0.228 0.000 2.406 280 I HA -0.008 4.168 4.170 0.010 0.000 0.249 280 I C 1.811 177.704 176.117 -0.373 0.000 1.122 280 I CA 1.033 62.162 61.300 -0.285 0.000 1.431 280 I CB -0.261 37.560 38.000 -0.300 0.000 1.087 280 I HN 0.168 nan 8.210 nan 0.000 0.424 281 F N 1.076 120.805 119.950 -0.369 0.000 2.234 281 F HA -0.123 4.410 4.527 0.011 0.000 0.299 281 F C 2.553 178.026 175.800 -0.545 0.000 1.087 281 F CA 1.244 59.011 58.000 -0.388 0.000 1.340 281 F CB -0.460 38.417 39.000 -0.204 0.000 1.031 281 F HN -0.010 nan 8.300 nan 0.000 0.500 282 A N -0.044 122.398 122.820 -0.630 0.000 1.854 282 A HA 0.012 4.339 4.320 0.010 0.000 0.214 282 A C 2.386 179.721 177.584 -0.415 0.000 1.192 282 A CA 1.418 52.851 52.037 -1.008 0.000 0.611 282 A CB -1.330 17.132 19.000 -0.896 0.000 0.832 282 A HN 0.255 nan 8.150 nan 0.000 0.442 283 A N -0.219 122.427 122.820 -0.291 0.000 2.024 283 A HA 0.142 4.468 4.320 0.010 0.000 0.220 283 A C 2.385 179.858 177.584 -0.185 0.000 1.164 283 A CA 2.081 54.007 52.037 -0.185 0.000 0.643 283 A CB -0.804 18.095 19.000 -0.169 0.000 0.806 283 A HN 1.021 nan 8.150 nan 0.000 0.451 284 A N -0.890 121.785 122.820 -0.241 0.000 1.929 284 A HA 0.046 4.372 4.320 0.010 0.000 0.216 284 A C 2.389 179.920 177.584 -0.088 0.000 1.176 284 A CA 1.739 53.649 52.037 -0.211 0.000 0.628 284 A CB -0.563 18.254 19.000 -0.305 0.000 0.816 284 A HN 0.437 nan 8.150 nan 0.000 0.444 285 S N -0.097 115.571 115.700 -0.053 0.000 2.387 285 S HA -0.011 4.466 4.470 0.010 0.000 0.226 285 S C 1.785 176.427 174.600 0.070 0.000 1.026 285 S CA 1.094 59.341 58.200 0.077 0.000 0.972 285 S CB -0.402 62.918 63.200 0.201 0.000 0.814 285 S HN 0.533 nan 8.310 nan 0.000 0.477 286 I N 1.580 122.166 120.570 0.026 0.000 2.179 286 I HA -0.190 3.987 4.170 0.010 0.000 0.242 286 I C 1.969 178.111 176.117 0.042 0.000 1.088 286 I CA 1.220 62.548 61.300 0.048 0.000 1.357 286 I CB -0.375 37.643 38.000 0.030 0.000 1.051 286 I HN 0.235 nan 8.210 nan 0.000 0.409 287 L N 0.100 121.330 121.223 0.012 0.000 2.191 287 L HA -0.158 4.189 4.340 0.010 0.000 0.212 287 L C 2.058 178.948 176.870 0.033 0.000 1.103 287 L CA 0.920 55.771 54.840 0.019 0.000 0.769 287 L CB -0.404 41.645 42.059 -0.018 0.000 0.908 287 L HN 0.241 nan 8.230 nan 0.000 0.438 288 E N 0.001 120.224 120.200 0.038 0.000 2.479 288 E HA 0.065 4.422 4.350 0.010 0.000 0.193 288 E C 1.462 178.098 176.600 0.061 0.000 1.049 288 E CA 0.657 57.090 56.400 0.055 0.000 0.870 288 E CB 0.372 30.117 29.700 0.075 0.000 0.944 288 E HN 0.426 nan 8.360 nan 0.000 0.492 289 G N 1.639 110.475 108.800 0.059 0.000 2.179 289 G HA2 -0.287 3.679 3.960 0.010 0.000 0.257 289 G HA3 -0.287 3.679 3.960 0.010 0.000 0.257 289 G C 0.509 175.444 174.900 0.058 0.000 1.010 289 G CA 0.636 45.765 45.100 0.048 0.000 0.736 289 G HN 0.290 nan 8.290 nan 0.000 0.513 290 V N -2.322 117.650 119.914 0.096 0.000 2.472 290 V HA 0.808 4.934 4.120 0.010 0.000 0.290 290 V C -1.758 174.435 176.094 0.165 0.000 1.037 290 V CA -2.884 59.490 62.300 0.123 0.000 0.908 290 V CB 1.725 33.642 31.823 0.157 0.000 0.985 290 V HN 0.022 nan 8.190 nan 0.000 0.454 291 P HA 0.128 nan 4.420 nan 0.000 0.265 291 P C -1.473 175.987 177.300 0.266 0.000 1.187 291 P CA 0.547 63.773 63.100 0.210 0.000 0.766 291 P CB -0.034 31.782 31.700 0.193 0.000 0.820 292 Y N 3.749 124.148 120.300 0.164 0.000 2.331 292 Y HA 0.567 5.123 4.550 0.009 0.000 0.334 292 Y C -0.871 175.177 175.900 0.247 0.000 0.960 292 Y CA -0.792 57.428 58.100 0.201 0.000 1.130 292 Y CB 0.869 39.470 38.460 0.235 0.000 1.164 292 Y HN 0.191 nan 8.280 nan 0.000 0.458 293 I N 5.835 126.157 120.570 -0.412 0.000 2.362 293 I HA 0.238 4.414 4.170 0.010 0.000 0.289 293 I C -0.722 175.137 176.117 -0.431 0.000 0.994 293 I CA -0.786 60.368 61.300 -0.243 0.000 1.158 293 I CB 1.397 39.324 38.000 -0.122 0.000 1.315 293 I HN 0.597 nan 8.210 nan 0.000 0.451 294 N N 4.832 123.436 118.700 -0.160 0.000 2.462 294 N HA 0.260 5.006 4.740 0.010 0.000 0.242 294 N C 0.667 176.167 175.510 -0.016 0.000 1.010 294 N CA -0.303 52.642 53.050 -0.176 0.000 0.939 294 N CB 1.382 39.673 38.487 -0.326 0.000 1.127 294 N HN 0.731 nan 8.380 nan 0.000 0.509 295 G N 1.397 110.241 108.800 0.074 0.000 3.314 295 G HA2 0.102 4.068 3.960 0.010 0.000 0.238 295 G HA3 0.102 4.068 3.960 0.010 0.000 0.238 295 G C -0.211 174.772 174.900 0.138 0.000 1.184 295 G CA -0.183 44.978 45.100 0.101 0.000 0.806 295 G HN 0.485 nan 8.290 nan 0.000 0.536 296 S N -0.089 115.680 115.700 0.116 0.000 2.638 296 S HA 0.499 4.976 4.470 0.010 0.000 0.302 296 S C -1.733 172.870 174.600 0.005 0.000 1.096 296 S CA -1.002 57.258 58.200 0.101 0.000 0.953 296 S CB 2.889 66.200 63.200 0.186 0.000 1.107 296 S HN -0.030 nan 8.310 nan 0.000 0.503 297 P HA -0.093 nan 4.420 nan 0.000 0.223 297 P C 0.228 177.531 177.300 0.003 0.000 1.151 297 P CA 0.588 63.721 63.100 0.055 0.000 0.787 297 P CB -0.092 31.670 31.700 0.104 0.000 0.788 298 Q N 2.478 122.229 119.800 -0.082 0.000 2.369 298 Q HA -0.088 4.258 4.340 0.010 0.000 0.295 298 Q C -0.064 175.550 176.000 -0.644 0.000 1.075 298 Q CA 0.466 56.068 55.803 -0.336 0.000 0.941 298 Q CB -0.560 28.046 28.738 -0.220 0.000 1.260 298 Q HN 0.346 nan 8.270 nan 0.000 0.417 299 N N 1.714 119.770 118.700 -1.073 0.000 3.103 299 N HA 0.026 4.772 4.740 0.010 0.000 0.305 299 N C -0.105 175.139 175.510 -0.443 0.000 1.232 299 N CA -0.212 52.416 53.050 -0.703 0.000 1.190 299 N CB 0.376 38.430 38.487 -0.721 0.000 1.461 299 N HN 0.487 nan 8.380 nan 0.000 0.538 300 T N 0.473 114.724 114.554 -0.506 0.000 2.708 300 T HA -0.113 4.243 4.350 0.010 0.000 0.266 300 T C 0.426 174.901 174.700 -0.376 0.000 1.037 300 T CA 0.995 62.773 62.100 -0.537 0.000 1.146 300 T CB -0.324 68.064 68.868 -0.801 0.000 0.865 300 T HN 0.463 nan 8.240 nan 0.000 0.435 301 F N 3.721 123.594 119.950 -0.128 0.000 2.626 301 F HA 0.209 4.743 4.527 0.011 0.000 0.374 301 F C 0.991 176.745 175.800 -0.076 0.000 1.184 301 F CA -1.178 56.774 58.000 -0.080 0.000 1.339 301 F CB -0.878 38.095 39.000 -0.046 0.000 1.730 301 F HN -0.020 nan 8.300 nan 0.000 0.650 302 V N -0.815 119.131 119.914 0.054 0.000 3.376 302 V HA 0.107 4.233 4.120 0.010 0.000 0.303 302 V C -1.504 174.619 176.094 0.049 0.000 1.100 302 V CA -1.530 60.784 62.300 0.023 0.000 1.126 302 V CB 0.190 32.004 31.823 -0.016 0.000 1.085 302 V HN 0.126 nan 8.190 nan 0.000 0.480 303 P HA -0.137 nan 4.420 nan 0.000 0.211 303 P C 1.775 179.096 177.300 0.034 0.000 1.181 303 P CA 2.438 65.559 63.100 0.035 0.000 0.929 303 P CB -0.420 31.293 31.700 0.021 0.000 0.789 304 G N -0.331 108.479 108.800 0.017 0.000 2.606 304 G HA2 -0.315 3.652 3.960 0.010 0.000 0.221 304 G HA3 -0.315 3.652 3.960 0.010 0.000 0.221 304 G C 1.495 176.409 174.900 0.023 0.000 1.152 304 G CA 1.017 46.123 45.100 0.012 0.000 0.765 304 G HN 0.207 nan 8.290 nan 0.000 0.595 305 L N 0.572 121.814 121.223 0.033 0.000 2.131 305 L HA 0.018 4.364 4.340 0.010 0.000 0.210 305 L C 3.020 179.937 176.870 0.078 0.000 1.092 305 L CA 1.122 55.994 54.840 0.054 0.000 0.759 305 L CB -0.332 41.773 42.059 0.077 0.000 0.903 305 L HN 0.136 nan 8.230 nan 0.000 0.435 306 V N -1.132 118.827 119.914 0.074 0.000 2.358 306 V HA -0.286 3.840 4.120 0.010 0.000 0.246 306 V C 2.443 178.577 176.094 0.067 0.000 1.047 306 V CA 1.531 63.861 62.300 0.049 0.000 1.035 306 V CB -0.625 31.224 31.823 0.043 0.000 0.658 306 V HN 0.493 nan 8.190 nan 0.000 0.452 307 Q N -0.471 119.370 119.800 0.068 0.000 2.002 307 Q HA -0.258 4.088 4.340 0.010 0.000 0.204 307 Q C 2.330 178.388 176.000 0.096 0.000 0.988 307 Q CA 2.064 57.915 55.803 0.081 0.000 0.843 307 Q CB -0.438 28.334 28.738 0.057 0.000 0.908 307 Q HN 0.506 nan 8.270 nan 0.000 0.420 308 L N 0.529 121.787 121.223 0.059 0.000 2.189 308 L HA -0.212 4.134 4.340 0.010 0.000 0.214 308 L C 2.016 178.946 176.870 0.100 0.000 1.097 308 L CA 2.039 56.907 54.840 0.048 0.000 0.764 308 L CB -0.542 41.524 42.059 0.012 0.000 0.900 308 L HN 0.178 nan 8.230 nan 0.000 0.436 309 A N -1.155 121.721 122.820 0.092 0.000 1.929 309 A HA -0.137 4.189 4.320 0.010 0.000 0.216 309 A C 2.146 179.806 177.584 0.127 0.000 1.176 309 A CA 1.404 53.498 52.037 0.095 0.000 0.628 309 A CB -0.417 18.614 19.000 0.052 0.000 0.816 309 A HN 0.579 nan 8.150 nan 0.000 0.444 310 E N -1.187 119.100 120.200 0.144 0.000 2.028 310 E HA -0.183 4.173 4.350 0.010 0.000 0.190 310 E C 2.075 178.770 176.600 0.160 0.000 0.984 310 E CA 0.940 57.442 56.400 0.169 0.000 0.800 310 E CB -0.404 29.402 29.700 0.176 0.000 0.758 310 E HN 0.758 nan 8.360 nan 0.000 0.448 311 H N 1.447 120.559 119.070 0.069 0.000 2.353 311 H HA -0.137 4.426 4.556 0.010 0.000 0.298 311 H C 1.468 176.824 175.328 0.047 0.000 1.103 311 H CA 1.472 57.553 56.048 0.054 0.000 1.293 311 H CB 0.304 30.093 29.762 0.046 0.000 1.372 311 H HN 0.102 nan 8.280 nan 0.000 0.501 312 E N -0.028 120.332 120.200 0.266 0.000 2.481 312 E HA 0.046 4.403 4.350 0.010 0.000 0.195 312 E C 1.113 177.751 176.600 0.063 0.000 1.047 312 E CA 0.662 57.165 56.400 0.172 0.000 0.867 312 E CB -0.161 29.641 29.700 0.170 0.000 0.858 312 E HN 0.680 nan 8.360 nan 0.000 0.513 313 G N 2.309 111.150 108.800 0.067 0.000 2.314 313 G HA2 -0.255 3.712 3.960 0.010 0.000 0.292 313 G HA3 -0.255 3.712 3.960 0.010 0.000 0.292 313 G C 0.051 174.945 174.900 -0.011 0.000 1.059 313 G CA 0.855 45.981 45.100 0.043 0.000 0.982 313 G HN 0.166 nan 8.290 nan 0.000 0.505 314 T N 0.110 114.689 114.554 0.043 0.000 2.855 314 T HA 0.573 4.929 4.350 0.010 0.000 0.281 314 T C 0.263 175.058 174.700 0.159 0.000 1.007 314 T CA -0.403 61.712 62.100 0.025 0.000 1.009 314 T CB 1.129 70.040 68.868 0.072 0.000 0.983 314 T HN 0.221 nan 8.240 nan 0.000 0.455 315 F N 3.554 123.517 119.950 0.021 0.000 2.438 315 F HA 0.474 5.007 4.527 0.011 0.000 0.356 315 F C 0.792 176.570 175.800 -0.036 0.000 1.099 315 F CA -0.956 57.020 58.000 -0.039 0.000 1.185 315 F CB 0.565 39.549 39.000 -0.027 0.000 1.115 315 F HN 0.380 nan 8.300 nan 0.000 0.526 316 I N 1.276 121.863 120.570 0.028 0.000 3.108 316 I HA 1.024 5.200 4.170 0.010 0.000 0.312 316 I C -0.911 175.014 176.117 -0.320 0.000 1.095 316 I CA -0.975 60.254 61.300 -0.120 0.000 1.000 316 I CB 2.268 40.016 38.000 -0.421 0.000 1.229 316 I HN 0.575 nan 8.210 nan 0.000 0.454 317 A N 1.432 124.087 122.820 -0.273 0.000 2.550 317 A HA 0.855 5.181 4.320 0.010 0.000 0.295 317 A C -0.482 177.230 177.584 0.213 0.000 1.001 317 A CA 0.062 52.004 52.037 -0.157 0.000 0.660 317 A CB 0.639 19.570 19.000 -0.115 0.000 1.308 317 A HN 2.055 nan 8.150 nan 0.000 0.426 318 G N -0.456 108.462 108.800 0.197 0.000 2.373 318 G HA2 0.558 4.524 3.960 0.010 0.000 0.250 318 G HA3 0.558 4.524 3.960 0.010 0.000 0.250 318 G C -1.188 173.814 174.900 0.171 0.000 1.304 318 G CA 0.981 46.225 45.100 0.239 0.000 0.948 318 G HN 1.973 nan 8.290 nan 0.000 0.474 319 D N 0.452 120.917 120.400 0.108 0.000 3.094 319 D HA 0.275 4.922 4.640 0.010 0.000 0.238 319 D C -0.515 175.817 176.300 0.054 0.000 1.017 319 D CA 1.864 55.894 54.000 0.050 0.000 0.908 319 D CB -0.875 39.964 40.800 0.065 0.000 0.981 319 D HN 1.011 nan 8.370 nan 0.000 0.423 320 D N -0.247 120.184 120.400 0.053 0.000 10.596 320 D HA -0.162 4.484 4.640 0.010 0.000 0.311 320 D C -0.664 175.682 176.300 0.077 0.000 3.078 320 D CA 0.040 54.079 54.000 0.065 0.000 2.776 320 D CB 0.098 40.931 40.800 0.056 0.000 1.186 320 D HN 0.314 nan 8.370 nan 0.000 0.919 321 L N 3.266 124.537 121.223 0.080 0.000 2.401 321 L HA 0.132 4.478 4.340 0.010 0.000 0.283 321 L C 0.977 177.893 176.870 0.076 0.000 1.151 321 L CA -0.499 54.394 54.840 0.088 0.000 0.942 321 L CB 0.208 42.313 42.059 0.076 0.000 1.283 321 L HN 0.270 nan 8.230 nan 0.000 0.442 322 K N 3.052 123.494 120.400 0.071 0.000 2.237 322 K HA -0.144 4.182 4.320 0.010 0.000 0.249 322 K C 0.639 177.249 176.600 0.018 0.000 1.351 322 K CA 0.135 56.435 56.287 0.023 0.000 1.325 322 K CB -0.209 32.275 32.500 -0.027 0.000 0.752 322 K HN 0.636 nan 8.250 nan 0.000 0.510 323 S N 2.530 118.244 115.700 0.024 0.000 2.559 323 S HA 0.020 4.496 4.470 0.010 0.000 0.282 323 S C 1.563 176.167 174.600 0.007 0.000 1.336 323 S CA -0.065 58.150 58.200 0.026 0.000 1.037 323 S CB 1.327 64.545 63.200 0.031 0.000 0.853 323 S HN 0.638 nan 8.310 nan 0.000 0.523 324 G N 0.620 109.429 108.800 0.015 0.000 2.559 324 G HA2 -0.149 3.818 3.960 0.010 0.000 0.216 324 G HA3 -0.149 3.818 3.960 0.010 0.000 0.216 324 G C 1.250 176.153 174.900 0.005 0.000 1.126 324 G CA 0.693 45.797 45.100 0.007 0.000 0.778 324 G HN 0.836 nan 8.290 nan 0.000 0.543 325 Q N -0.023 119.784 119.800 0.012 0.000 2.134 325 Q HA -0.068 4.278 4.340 0.010 0.000 0.195 325 Q C 2.466 178.485 176.000 0.031 0.000 0.958 325 Q CA 1.499 57.316 55.803 0.023 0.000 0.840 325 Q CB -0.218 28.532 28.738 0.020 0.000 0.918 325 Q HN 0.390 nan 8.270 nan 0.000 0.467 326 T N 1.586 116.153 114.554 0.021 0.000 2.788 326 T HA -0.145 4.211 4.350 0.010 0.000 0.268 326 T C 1.694 176.393 174.700 -0.002 0.000 1.044 326 T CA 1.517 63.631 62.100 0.022 0.000 1.139 326 T CB -0.115 68.761 68.868 0.013 0.000 0.867 326 T HN 0.282 nan 8.240 nan 0.000 0.454 327 K N 0.569 120.945 120.400 -0.040 0.000 1.978 327 K HA -0.109 4.218 4.320 0.010 0.000 0.214 327 K C 2.249 178.816 176.600 -0.053 0.000 1.049 327 K CA 1.327 57.553 56.287 -0.102 0.000 0.939 327 K CB -0.387 32.025 32.500 -0.146 0.000 0.721 327 K HN 0.174 nan 8.250 nan 0.000 0.441 328 L N 1.888 123.101 121.223 -0.016 0.000 2.141 328 L HA -0.124 4.222 4.340 0.010 0.000 0.209 328 L C 2.193 179.102 176.870 0.064 0.000 1.094 328 L CA 1.819 56.668 54.840 0.015 0.000 0.763 328 L CB -0.574 41.499 42.059 0.024 0.000 0.908 328 L HN 0.196 nan 8.230 nan 0.000 0.437 329 K N -1.458 119.002 120.400 0.100 0.000 2.148 329 K HA -0.141 4.185 4.320 0.010 0.000 0.204 329 K C 2.191 178.899 176.600 0.179 0.000 1.050 329 K CA 1.365 57.773 56.287 0.202 0.000 0.942 329 K CB -0.147 32.450 32.500 0.161 0.000 0.724 329 K HN 0.363 nan 8.250 nan 0.000 0.446 330 S N -0.144 115.612 115.700 0.092 0.000 2.436 330 S HA -0.030 4.446 4.470 0.010 0.000 0.228 330 S C 1.749 176.388 174.600 0.064 0.000 1.014 330 S CA 0.692 58.934 58.200 0.070 0.000 0.950 330 S CB 0.028 63.242 63.200 0.025 0.000 0.784 330 S HN 0.215 nan 8.310 nan 0.000 0.504 331 V N 2.266 122.210 119.914 0.049 0.000 2.323 331 V HA -0.100 4.026 4.120 0.010 0.000 0.244 331 V C 2.323 178.469 176.094 0.086 0.000 1.041 331 V CA 1.589 63.918 62.300 0.048 0.000 1.025 331 V CB -0.622 31.210 31.823 0.015 0.000 0.656 331 V HN 0.463 nan 8.190 nan 0.000 0.451 332 L N 0.212 121.475 121.223 0.067 0.000 2.012 332 L HA -0.184 4.163 4.340 0.010 0.000 0.210 332 L C 2.818 179.713 176.870 0.042 0.000 1.073 332 L CA 1.752 56.626 54.840 0.057 0.000 0.748 332 L CB -1.082 40.879 42.059 -0.164 0.000 0.891 332 L HN 0.376 nan 8.230 nan 0.000 0.431 333 A N -0.185 122.674 122.820 0.066 0.000 1.917 333 A HA -0.322 4.004 4.320 0.010 0.000 0.219 333 A C 2.232 179.854 177.584 0.062 0.000 1.182 333 A CA 2.243 54.346 52.037 0.110 0.000 0.633 333 A CB -0.606 18.503 19.000 0.181 0.000 0.819 333 A HN 0.418 nan 8.150 nan 0.000 0.448 334 Q N -1.050 118.799 119.800 0.081 0.000 2.119 334 Q HA -0.094 4.252 4.340 0.010 0.000 0.201 334 Q C 1.717 177.773 176.000 0.093 0.000 0.972 334 Q CA 1.868 57.716 55.803 0.075 0.000 0.847 334 Q CB -0.588 28.195 28.738 0.075 0.000 0.903 334 Q HN 0.719 nan 8.270 nan 0.000 0.433 335 F N -0.227 119.711 119.950 -0.021 0.000 2.095 335 F HA -0.226 4.306 4.527 0.010 0.000 0.298 335 F C 1.440 177.223 175.800 -0.028 0.000 1.104 335 F CA 1.274 59.256 58.000 -0.030 0.000 1.232 335 F CB -0.079 38.889 39.000 -0.053 0.000 0.987 335 F HN 0.095 nan 8.300 nan 0.000 0.475 336 L N 0.127 121.024 121.223 -0.544 0.000 1.994 336 L HA -0.232 4.114 4.340 0.010 0.000 0.208 336 L C 2.413 179.112 176.870 -0.285 0.000 1.071 336 L CA 1.221 55.717 54.840 -0.574 0.000 0.745 336 L CB -0.943 40.927 42.059 -0.315 0.000 0.892 336 L HN 0.075 nan 8.230 nan 0.000 0.431 337 V N -0.409 119.438 119.914 -0.111 0.000 2.594 337 V HA -0.253 3.873 4.120 0.010 0.000 0.253 337 V C 1.857 177.933 176.094 -0.030 0.000 1.069 337 V CA 1.605 63.895 62.300 -0.017 0.000 1.082 337 V CB -0.560 31.307 31.823 0.073 0.000 0.680 337 V HN 0.421 nan 8.190 nan 0.000 0.469 338 D N 0.400 120.775 120.400 -0.041 0.000 2.277 338 D HA 0.025 4.672 4.640 0.010 0.000 0.208 338 D C 1.947 178.225 176.300 -0.037 0.000 0.962 338 D CA 1.247 55.243 54.000 -0.007 0.000 0.865 338 D CB 0.055 40.886 40.800 0.051 0.000 0.939 338 D HN 0.474 nan 8.370 nan 0.000 0.510 339 A N -0.431 122.313 122.820 -0.126 0.000 2.275 339 A HA 0.453 4.779 4.320 0.010 0.000 0.212 339 A C 1.694 179.208 177.584 -0.116 0.000 1.201 339 A CA 0.823 52.778 52.037 -0.137 0.000 0.843 339 A CB -0.064 18.762 19.000 -0.290 0.000 0.873 339 A HN 0.188 nan 8.150 nan 0.000 0.492 340 G N -0.747 107.993 108.800 -0.099 0.000 2.143 340 G HA2 -0.219 3.747 3.960 0.010 0.000 0.249 340 G HA3 -0.219 3.747 3.960 0.010 0.000 0.249 340 G C 0.062 174.892 174.900 -0.117 0.000 0.981 340 G CA 0.336 45.383 45.100 -0.088 0.000 0.665 340 G HN 0.467 nan 8.290 nan 0.000 0.528 341 I N 0.447 120.931 120.570 -0.144 0.000 2.353 341 I HA 0.324 4.500 4.170 0.010 0.000 0.293 341 I C 0.624 176.670 176.117 -0.118 0.000 0.992 341 I CA -0.595 60.613 61.300 -0.153 0.000 1.268 341 I CB 1.649 39.530 38.000 -0.199 0.000 1.387 341 I HN 0.018 nan 8.210 nan 0.000 0.478 342 K N 8.446 128.769 120.400 -0.128 0.000 2.257 342 K HA 0.374 4.700 4.320 0.010 0.000 0.270 342 K C -2.508 174.096 176.600 0.007 0.000 1.098 342 K CA -1.671 54.553 56.287 -0.105 0.000 0.943 342 K CB 0.727 33.073 32.500 -0.257 0.000 1.316 342 K HN 0.175 nan 8.250 nan 0.000 0.447 343 P HA -0.070 nan 4.420 nan 0.000 0.271 343 P C 0.342 177.756 177.300 0.190 0.000 1.233 343 P CA -0.205 62.981 63.100 0.143 0.000 0.764 343 P CB 1.020 32.829 31.700 0.183 0.000 0.825 344 V N 0.783 120.792 119.914 0.158 0.000 3.660 344 V HA 0.305 4.431 4.120 0.010 0.000 0.276 344 V C 0.451 176.655 176.094 0.183 0.000 1.317 344 V CA 0.280 62.692 62.300 0.187 0.000 1.097 344 V CB 0.013 31.941 31.823 0.174 0.000 0.863 344 V HN 0.487 nan 8.190 nan 0.000 0.438 345 S N -0.157 115.649 115.700 0.176 0.000 2.535 345 S HA 0.779 5.255 4.470 0.010 0.000 0.272 345 S C -1.444 173.180 174.600 0.040 0.000 1.149 345 S CA -0.539 57.738 58.200 0.128 0.000 0.888 345 S CB 1.755 65.068 63.200 0.189 0.000 1.110 345 S HN 0.341 nan 8.310 nan 0.000 0.463 346 I N 3.069 123.587 120.570 -0.087 0.000 2.563 346 I HA 0.512 4.688 4.170 0.010 0.000 0.285 346 I C -0.350 175.641 176.117 -0.210 0.000 1.123 346 I CA -0.673 60.439 61.300 -0.313 0.000 1.059 346 I CB 1.670 39.288 38.000 -0.636 0.000 1.229 346 I HN 0.729 nan 8.210 nan 0.000 0.442 347 A N 4.346 127.063 122.820 -0.170 0.000 2.288 347 A HA 0.855 5.182 4.320 0.010 0.000 0.320 347 A C -0.414 176.998 177.584 -0.286 0.000 1.217 347 A CA -0.395 51.545 52.037 -0.162 0.000 0.840 347 A CB 1.096 20.114 19.000 0.031 0.000 1.179 347 A HN 0.568 nan 8.150 nan 0.000 0.504 348 S N 0.946 116.373 115.700 -0.455 0.000 2.502 348 S HA 0.701 5.177 4.470 0.010 0.000 0.304 348 S C -1.552 172.657 174.600 -0.653 0.000 1.097 348 S CA -0.183 57.807 58.200 -0.350 0.000 1.045 348 S CB 0.703 63.834 63.200 -0.115 0.000 1.019 348 S HN 0.506 nan 8.310 nan 0.000 0.481 349 Y N 1.485 121.805 120.300 0.035 0.000 2.331 349 Y HA 0.475 5.022 4.550 -0.004 0.000 0.326 349 Y C -0.383 175.531 175.900 0.022 0.000 1.020 349 Y CA -0.964 57.160 58.100 0.039 0.000 1.136 349 Y CB 1.370 39.859 38.460 0.049 0.000 1.157 349 Y HN 0.536 nan 8.280 nan 0.000 0.444 350 N N 1.692 120.480 118.700 0.146 0.000 2.258 350 N HA 0.501 5.247 4.740 0.010 0.000 0.299 350 N C -1.549 174.024 175.510 0.105 0.000 1.047 350 N CA -1.089 51.994 53.050 0.055 0.000 0.814 350 N CB 1.328 39.838 38.487 0.038 0.000 1.413 350 N HN 0.699 nan 8.380 nan 0.000 0.478 351 H N -0.164 118.927 119.070 0.034 0.000 2.856 351 H HA 0.717 5.277 4.556 0.007 0.000 0.355 351 H C -1.345 173.982 175.328 -0.001 0.000 1.079 351 H CA -1.019 55.039 56.048 0.017 0.000 1.240 351 H CB 0.696 30.458 29.762 -0.001 0.000 1.701 351 H HN 0.468 nan 8.280 nan 0.000 0.527 352 L N 0.177 121.472 121.223 0.120 0.000 2.327 352 L HA 0.916 5.262 4.340 0.010 0.000 0.258 352 L C 0.159 177.010 176.870 -0.031 0.000 1.024 352 L CA -1.064 53.810 54.840 0.057 0.000 0.825 352 L CB 2.336 44.440 42.059 0.074 0.000 1.386 352 L HN 0.840 nan 8.230 nan 0.000 0.417 353 G N -0.107 108.650 108.800 -0.071 0.000 3.519 353 G HA2 0.146 4.112 3.960 0.010 0.000 0.269 353 G HA3 0.146 4.112 3.960 0.010 0.000 0.269 353 G C 0.043 174.964 174.900 0.035 0.000 1.028 353 G CA -0.162 44.790 45.100 -0.246 0.000 0.809 353 G HN 0.758 nan 8.290 nan 0.000 0.521 354 N N -0.586 118.217 118.700 0.172 0.000 2.405 354 N HA 0.070 4.816 4.740 0.010 0.000 0.269 354 N C 1.052 176.759 175.510 0.328 0.000 1.249 354 N CA -0.581 52.587 53.050 0.197 0.000 0.974 354 N CB 0.416 38.973 38.487 0.116 0.000 1.204 354 N HN -0.047 nan 8.380 nan 0.000 0.565 355 N N -0.908 117.917 118.700 0.208 0.000 2.166 355 N HA -0.237 4.509 4.740 0.010 0.000 0.186 355 N C 0.675 176.298 175.510 0.189 0.000 1.019 355 N CA 1.011 54.193 53.050 0.220 0.000 0.856 355 N CB -0.109 38.458 38.487 0.133 0.000 0.993 355 N HN 0.668 nan 8.380 nan 0.000 0.426 356 D N -0.045 120.444 120.400 0.148 0.000 2.106 356 D HA -0.134 4.512 4.640 0.010 0.000 0.191 356 D C 1.881 178.278 176.300 0.162 0.000 0.997 356 D CA 1.894 55.969 54.000 0.125 0.000 0.834 356 D CB -0.753 40.111 40.800 0.107 0.000 0.956 356 D HN 0.354 nan 8.370 nan 0.000 0.448 357 G N -1.604 107.344 108.800 0.247 0.000 2.471 357 G HA2 -0.259 3.707 3.960 0.010 0.000 0.219 357 G HA3 -0.259 3.707 3.960 0.010 0.000 0.219 357 G C 1.628 176.687 174.900 0.265 0.000 1.125 357 G CA 0.692 45.990 45.100 0.330 0.000 0.775 357 G HN 0.493 nan 8.290 nan 0.000 0.548 358 Y N 0.808 121.034 120.300 -0.124 0.000 2.314 358 Y HA -0.071 4.484 4.550 0.009 0.000 0.293 358 Y C 2.688 178.411 175.900 -0.295 0.000 1.129 358 Y CA 1.088 58.782 58.100 -0.677 0.000 1.201 358 Y CB 0.141 38.273 38.460 -0.546 0.000 0.999 358 Y HN 0.289 nan 8.280 nan 0.000 0.541 359 N N 0.587 119.203 118.700 -0.140 0.000 2.354 359 N HA -0.111 4.635 4.740 0.010 0.000 0.179 359 N C 1.433 176.913 175.510 -0.050 0.000 1.021 359 N CA 0.737 53.698 53.050 -0.148 0.000 0.887 359 N CB -0.095 38.372 38.487 -0.034 0.000 0.974 359 N HN 0.442 nan 8.380 nan 0.000 0.437 360 L N 1.263 122.506 121.223 0.033 0.000 2.552 360 L HA -0.022 4.325 4.340 0.010 0.000 0.227 360 L C 2.499 179.418 176.870 0.080 0.000 1.146 360 L CA 0.427 55.339 54.840 0.121 0.000 0.858 360 L CB -0.356 41.822 42.059 0.198 0.000 0.969 360 L HN 0.200 nan 8.230 nan 0.000 0.451 361 S N 0.934 116.624 115.700 -0.018 0.000 2.365 361 S HA -0.152 4.324 4.470 0.010 0.000 0.225 361 S C 1.332 175.918 174.600 -0.024 0.000 1.039 361 S CA 0.601 58.777 58.200 -0.039 0.000 1.033 361 S CB -0.515 62.614 63.200 -0.118 0.000 0.887 361 S HN 0.304 nan 8.310 nan 0.000 0.447 362 A N 3.091 125.891 122.820 -0.034 0.000 2.491 362 A HA 0.491 4.818 4.320 0.010 0.000 0.261 362 A C -1.107 176.518 177.584 0.068 0.000 1.101 362 A CA -1.366 50.668 52.037 -0.004 0.000 0.772 362 A CB -0.013 18.971 19.000 -0.026 0.000 1.043 362 A HN 0.308 nan 8.150 nan 0.000 0.501 363 P HA -0.191 nan 4.420 nan 0.000 0.220 363 P C 0.979 178.349 177.300 0.117 0.000 1.144 363 P CA 1.448 64.642 63.100 0.157 0.000 0.800 363 P CB 0.140 31.900 31.700 0.100 0.000 0.772 364 K N -1.011 119.424 120.400 0.057 0.000 2.097 364 K HA -0.132 4.195 4.320 0.010 0.000 0.205 364 K C 2.072 178.698 176.600 0.043 0.000 1.050 364 K CA 1.152 57.454 56.287 0.025 0.000 0.938 364 K CB -0.241 32.265 32.500 0.009 0.000 0.718 364 K HN 0.112 nan 8.250 nan 0.000 0.442 365 Q N -0.009 119.837 119.800 0.077 0.000 2.123 365 Q HA -0.024 4.322 4.340 0.010 0.000 0.196 365 Q C 1.760 177.826 176.000 0.111 0.000 0.958 365 Q CA 1.045 56.907 55.803 0.098 0.000 0.841 365 Q CB -0.265 28.529 28.738 0.093 0.000 0.915 365 Q HN 0.287 nan 8.270 nan 0.000 0.455 366 F N 0.965 120.920 119.950 0.008 0.000 2.234 366 F HA -0.086 4.445 4.527 0.007 0.000 0.299 366 F C 2.083 177.870 175.800 -0.021 0.000 1.087 366 F CA 1.052 59.055 58.000 0.005 0.000 1.340 366 F CB 0.049 39.052 39.000 0.005 0.000 1.031 366 F HN -0.076 nan 8.300 nan 0.000 0.500 367 R N 0.626 120.954 120.500 -0.286 0.000 2.127 367 R HA -0.115 4.231 4.340 0.010 0.000 0.238 367 R C 2.084 178.119 176.300 -0.441 0.000 1.134 367 R CA 1.890 57.740 56.100 -0.416 0.000 0.975 367 R CB -0.914 29.256 30.300 -0.218 0.000 0.865 367 R HN 0.314 nan 8.270 nan 0.000 0.447 368 S N 0.041 115.574 115.700 -0.277 0.000 2.387 368 S HA -0.069 4.408 4.470 0.010 0.000 0.226 368 S C 1.652 176.191 174.600 -0.101 0.000 1.026 368 S CA 1.299 59.422 58.200 -0.128 0.000 0.972 368 S CB -0.223 63.092 63.200 0.192 0.000 0.814 368 S HN 0.223 nan 8.310 nan 0.000 0.477 369 K N 2.004 122.298 120.400 -0.177 0.000 2.057 369 K HA 0.035 4.361 4.320 0.010 0.000 0.206 369 K C 1.727 178.158 176.600 -0.283 0.000 1.050 369 K CA 1.224 57.420 56.287 -0.152 0.000 0.935 369 K CB -0.341 32.129 32.500 -0.051 0.000 0.715 369 K HN 0.305 nan 8.250 nan 0.000 0.439 370 E N -0.183 119.637 120.200 -0.634 0.000 2.526 370 E HA -0.076 4.280 4.350 0.010 0.000 0.205 370 E C -0.252 176.158 176.600 -0.317 0.000 1.104 370 E CA 0.217 56.267 56.400 -0.585 0.000 0.899 370 E CB -0.023 29.128 29.700 -0.917 0.000 0.838 370 E HN 0.302 nan 8.360 nan 0.000 0.564 377 I N 1.428 122.028 120.570 0.049 0.000 2.439 377 I HA -0.042 4.134 4.170 0.010 0.000 0.251 377 I C 1.885 177.981 176.117 -0.037 0.000 1.139 377 I CA 1.856 63.168 61.300 0.019 0.000 1.438 377 I CB -0.981 37.064 38.000 0.075 0.000 1.085 377 I HN 0.446 nan 8.210 nan 0.000 0.427 378 D N 0.915 121.304 120.400 -0.017 0.000 2.350 378 D HA -0.142 4.504 4.640 0.010 0.000 0.216 378 D C 1.408 177.693 176.300 -0.025 0.000 0.968 378 D CA 0.823 54.801 54.000 -0.036 0.000 0.894 378 D CB 0.094 40.890 40.800 -0.007 0.000 0.909 378 D HN 0.421 nan 8.370 nan 0.000 0.520 379 D N 0.580 120.978 120.400 -0.005 0.000 2.149 379 D HA 0.014 4.660 4.640 0.010 0.000 0.206 379 D C 2.424 178.721 176.300 -0.006 0.000 0.967 379 D CA 0.124 54.132 54.000 0.015 0.000 0.848 379 D CB 0.144 40.964 40.800 0.034 0.000 0.998 379 D HN 0.241 nan 8.370 nan 0.000 0.474 380 I N 1.488 122.044 120.570 -0.022 0.000 2.142 380 I HA -0.209 3.968 4.170 0.010 0.000 0.240 380 I C 2.643 178.717 176.117 -0.071 0.000 1.078 380 I CA 0.751 62.038 61.300 -0.022 0.000 1.343 380 I CB -0.128 37.863 38.000 -0.015 0.000 1.046 380 I HN -0.062 nan 8.210 nan 0.000 0.405 381 I N 0.754 121.188 120.570 -0.227 0.000 2.423 381 I HA -0.286 3.890 4.170 0.010 0.000 0.254 381 I C 2.470 178.478 176.117 -0.182 0.000 1.151 381 I CA 1.435 62.415 61.300 -0.534 0.000 1.421 381 I CB -0.014 37.538 38.000 -0.745 0.000 1.079 381 I HN 0.186 nan 8.210 nan 0.000 0.431 382 A N 0.218 122.995 122.820 -0.070 0.000 1.970 382 A HA -0.146 4.181 4.320 0.010 0.000 0.216 382 A C 2.420 180.031 177.584 0.046 0.000 1.170 382 A CA 1.333 53.376 52.037 0.010 0.000 0.645 382 A CB -0.744 18.270 19.000 0.024 0.000 0.816 382 A HN 0.606 nan 8.150 nan 0.000 0.447 383 S N -0.358 115.366 115.700 0.040 0.000 2.447 383 S HA -0.047 4.429 4.470 0.010 0.000 0.233 383 S C 0.716 175.361 174.600 0.075 0.000 1.006 383 S CA 0.902 59.131 58.200 0.048 0.000 0.957 383 S CB -0.249 62.973 63.200 0.037 0.000 0.773 383 S HN 0.414 nan 8.310 nan 0.000 0.507 384 N N 1.792 120.572 118.700 0.133 0.000 2.623 384 N HA 0.199 4.945 4.740 0.010 0.000 0.256 384 N C -0.849 174.792 175.510 0.218 0.000 1.045 384 N CA -0.167 52.983 53.050 0.166 0.000 0.863 384 N CB 1.618 40.224 38.487 0.198 0.000 1.182 384 N HN 0.357 nan 8.380 nan 0.000 0.523 385 D N 2.729 123.216 120.400 0.145 0.000 2.340 385 D HA 0.017 4.663 4.640 0.010 0.000 0.220 385 D C 1.574 177.921 176.300 0.080 0.000 1.039 385 D CA 0.115 54.197 54.000 0.138 0.000 0.866 385 D CB 0.265 41.137 40.800 0.121 0.000 0.913 385 D HN 0.499 nan 8.370 nan 0.000 0.523 386 I N -0.116 120.484 120.570 0.050 0.000 2.353 386 I HA -0.152 4.025 4.170 0.010 0.000 0.248 386 I C 2.067 178.143 176.117 -0.069 0.000 1.119 386 I CA 0.846 62.147 61.300 0.001 0.000 1.417 386 I CB 0.029 38.027 38.000 -0.004 0.000 1.078 386 I HN -0.008 nan 8.210 nan 0.000 0.421 387 L N -1.291 119.845 121.223 -0.145 0.000 2.357 387 L HA 0.042 4.388 4.340 0.010 0.000 0.211 387 L C -0.012 176.534 176.870 -0.541 0.000 1.075 387 L CA 0.241 54.846 54.840 -0.391 0.000 0.830 387 L CB -0.014 41.696 42.059 -0.582 0.000 0.996 387 L HN 0.080 nan 8.230 nan 0.000 0.467 388 Y N 1.558 121.866 120.300 0.014 0.000 2.478 388 Y HA 0.371 4.928 4.550 0.011 0.000 0.329 388 Y C -0.190 175.725 175.900 0.026 0.000 0.967 388 Y CA -1.088 57.024 58.100 0.021 0.000 1.255 388 Y CB 0.469 38.943 38.460 0.024 0.000 1.103 388 Y HN 0.164 nan 8.280 nan 0.000 0.497 389 N N -1.275 117.500 118.700 0.126 0.000 3.106 389 N HA 0.227 4.973 4.740 0.010 0.000 0.253 389 N C -0.468 175.084 175.510 0.070 0.000 1.506 389 N CA -0.867 52.237 53.050 0.090 0.000 0.876 389 N CB 0.680 39.201 38.487 0.057 0.000 1.452 389 N HN 0.096 nan 8.380 nan 0.000 0.542 390 D N -0.637 119.796 120.400 0.054 0.000 2.312 390 D HA -0.084 4.562 4.640 0.010 0.000 0.211 390 D C 0.975 177.295 176.300 0.032 0.000 0.964 390 D CA 0.924 54.950 54.000 0.044 0.000 0.877 390 D CB 0.259 41.081 40.800 0.037 0.000 0.924 390 D HN 0.590 nan 8.370 nan 0.000 0.515 391 K N 0.434 120.849 120.400 0.025 0.000 2.137 391 K HA 0.029 4.355 4.320 0.010 0.000 0.202 391 K C 1.963 178.569 176.600 0.009 0.000 1.052 391 K CA 0.381 56.677 56.287 0.015 0.000 0.961 391 K CB 0.286 32.791 32.500 0.009 0.000 0.741 391 K HN 0.068 nan 8.250 nan 0.000 0.452 392 L N -1.044 120.182 121.223 0.005 0.000 2.269 392 L HA 0.289 4.635 4.340 0.010 0.000 0.200 392 L C 0.498 177.375 176.870 0.011 0.000 1.069 392 L CA 0.339 55.173 54.840 -0.011 0.000 0.804 392 L CB 0.448 42.476 42.059 -0.052 0.000 0.987 392 L HN 0.350 nan 8.230 nan 0.000 0.468 393 G N 1.616 110.439 108.800 0.038 0.000 2.648 393 G HA2 -0.078 3.888 3.960 0.010 0.000 0.317 393 G HA3 -0.078 3.888 3.960 0.010 0.000 0.317 393 G C -0.153 174.839 174.900 0.153 0.000 1.216 393 G CA -0.537 44.610 45.100 0.077 0.000 1.210 393 G HN 0.294 nan 8.290 nan 0.000 0.583 394 K N 0.953 121.457 120.400 0.172 0.000 3.165 394 K HA 0.317 4.643 4.320 0.010 0.000 0.270 394 K C 0.366 177.086 176.600 0.199 0.000 1.111 394 K CA -0.150 56.296 56.287 0.264 0.000 1.216 394 K CB 0.589 33.191 32.500 0.170 0.000 1.229 394 K HN 0.367 nan 8.250 nan 0.000 0.435 395 K N 0.862 121.392 120.400 0.217 0.000 2.426 395 K HA 0.364 4.690 4.320 0.010 0.000 0.251 395 K C -1.587 175.102 176.600 0.148 0.000 0.941 395 K CA -0.922 55.440 56.287 0.124 0.000 0.808 395 K CB 2.286 34.842 32.500 0.094 0.000 1.265 395 K HN 0.034 nan 8.250 nan 0.000 0.432 396 V N 3.127 123.083 119.914 0.070 0.000 2.447 396 V HA 0.160 4.287 4.120 0.010 0.000 0.292 396 V C -1.151 174.985 176.094 0.070 0.000 1.021 396 V CA -1.031 61.314 62.300 0.076 0.000 0.850 396 V CB 1.525 33.346 31.823 -0.002 0.000 1.005 396 V HN 0.820 nan 8.190 nan 0.000 0.426 397 D N 3.021 123.472 120.400 0.086 0.000 2.424 397 D HA 0.329 4.976 4.640 0.010 0.000 0.244 397 D C -0.188 176.177 176.300 0.109 0.000 1.134 397 D CA 0.763 54.815 54.000 0.086 0.000 0.881 397 D CB 0.382 41.230 40.800 0.079 0.000 1.191 397 D HN 0.751 nan 8.370 nan 0.000 0.445 398 H N -0.327 118.730 119.070 -0.022 0.000 3.046 398 H HA 0.512 5.077 4.556 0.016 0.000 0.363 398 H C -1.278 174.010 175.328 -0.066 0.000 1.203 398 H CA -1.021 54.992 56.048 -0.058 0.000 1.169 398 H CB 1.293 31.019 29.762 -0.061 0.000 1.851 398 H HN 0.616 nan 8.280 nan 0.000 0.546 399 C N 4.273 123.625 119.300 0.086 0.000 2.985 399 C HA 0.692 5.158 4.460 0.010 0.000 0.314 399 C C -1.205 173.647 174.990 -0.231 0.000 1.215 399 C CA -0.775 58.169 59.018 -0.123 0.000 1.414 399 C CB 0.236 27.933 27.740 -0.073 0.000 1.842 399 C HN 0.717 nan 8.230 nan 0.000 0.477 400 I N 3.288 123.746 120.570 -0.188 0.000 2.476 400 I HA 0.466 4.642 4.170 0.010 0.000 0.281 400 I C -0.681 175.475 176.117 0.064 0.000 1.040 400 I CA -0.396 60.840 61.300 -0.107 0.000 1.094 400 I CB 1.768 39.711 38.000 -0.095 0.000 1.219 400 I HN 0.588 nan 8.210 nan 0.000 0.450 401 V N 6.908 126.802 119.914 -0.033 0.000 2.384 401 V HA 0.469 4.595 4.120 0.010 0.000 0.287 401 V C -0.048 176.058 176.094 0.020 0.000 1.020 401 V CA -0.521 61.784 62.300 0.008 0.000 0.850 401 V CB 2.008 33.915 31.823 0.140 0.000 0.987 401 V HN 0.403 nan 8.190 nan 0.000 0.436 402 I N 5.409 125.897 120.570 -0.138 0.000 2.389 402 I HA 0.581 4.757 4.170 0.010 0.000 0.288 402 I C -0.084 175.978 176.117 -0.092 0.000 0.999 402 I CA -0.758 60.515 61.300 -0.045 0.000 1.129 402 I CB 1.657 39.690 38.000 0.054 0.000 1.288 402 I HN 0.458 nan 8.210 nan 0.000 0.444 403 K N 5.191 125.623 120.400 0.053 0.000 2.259 403 K HA 0.356 4.682 4.320 0.010 0.000 0.249 403 K C -1.112 175.584 176.600 0.160 0.000 0.942 403 K CA -0.837 55.493 56.287 0.071 0.000 0.816 403 K CB 2.708 35.242 32.500 0.057 0.000 1.155 403 K HN 0.471 nan 8.250 nan 0.000 0.428 404 Y N 3.322 123.647 120.300 0.041 0.000 2.518 404 Y HA 0.202 4.755 4.550 0.004 0.000 0.344 404 Y C -0.459 175.467 175.900 0.044 0.000 0.982 404 Y CA -0.436 57.708 58.100 0.072 0.000 1.234 404 Y CB 0.583 39.108 38.460 0.108 0.000 1.114 404 Y HN 0.297 nan 8.280 nan 0.000 0.515 405 M N 7.272 126.643 119.600 -0.381 0.000 2.325 405 M HA 0.157 4.644 4.480 0.010 0.000 0.305 405 M C 1.095 177.093 176.300 -0.502 0.000 1.047 405 M CA -0.287 54.796 55.300 -0.361 0.000 0.981 405 M CB 0.995 33.472 32.600 -0.205 0.000 1.307 405 M HN 0.744 nan 8.290 nan 0.000 0.418 406 K N 2.138 122.045 120.400 -0.822 0.000 2.189 406 K HA -0.174 4.152 4.320 0.010 0.000 0.207 406 K C -1.023 175.428 176.600 -0.248 0.000 1.046 406 K CA 1.912 57.846 56.287 -0.589 0.000 0.928 406 K CB -0.278 32.005 32.500 -0.362 0.000 0.720 406 K HN 0.299 nan 8.250 nan 0.000 0.458 407 P HA -0.121 nan 4.420 nan 0.000 0.222 407 P C 1.070 178.332 177.300 -0.062 0.000 1.147 407 P CA 1.128 64.169 63.100 -0.098 0.000 0.790 407 P CB 0.042 31.692 31.700 -0.084 0.000 0.780 408 V N -4.887 114.994 119.914 -0.056 0.000 3.461 408 V HA 0.274 4.401 4.120 0.010 0.000 0.267 408 V C 1.363 177.446 176.094 -0.017 0.000 1.186 408 V CA 0.627 62.925 62.300 -0.003 0.000 1.154 408 V CB -1.438 30.427 31.823 0.070 0.000 0.802 408 V HN 0.292 nan 8.190 nan 0.000 0.474 409 G N 1.335 110.107 108.800 -0.046 0.000 2.596 409 G HA2 -0.511 3.455 3.960 0.010 0.000 0.295 409 G HA3 -0.511 3.455 3.960 0.010 0.000 0.295 409 G C 0.512 175.411 174.900 -0.002 0.000 1.240 409 G CA 0.999 46.084 45.100 -0.026 0.000 0.985 409 G HN 0.664 nan 8.290 nan 0.000 0.555 410 D N 0.469 120.874 120.400 0.009 0.000 2.317 410 D HA 0.163 4.809 4.640 0.010 0.000 0.211 410 D C 1.594 177.901 176.300 0.012 0.000 0.966 410 D CA 1.176 55.188 54.000 0.019 0.000 0.876 410 D CB -0.209 40.601 40.800 0.017 0.000 0.927 410 D HN 0.378 nan 8.370 nan 0.000 0.519 411 S N 1.206 116.910 115.700 0.006 0.000 3.455 411 S HA 0.031 4.507 4.470 0.010 0.000 0.288 411 S C 0.176 174.764 174.600 -0.021 0.000 1.231 411 S CA -0.327 57.874 58.200 0.002 0.000 1.031 411 S CB 0.218 63.425 63.200 0.010 0.000 1.570 411 S HN 0.217 nan 8.310 nan 0.000 0.519 412 K N 2.082 122.460 120.400 -0.036 0.000 2.219 412 K HA 0.342 4.668 4.320 0.010 0.000 0.258 412 K C -0.786 175.712 176.600 -0.171 0.000 1.008 412 K CA -0.277 55.952 56.287 -0.095 0.000 0.928 412 K CB 0.506 32.970 32.500 -0.060 0.000 0.983 412 K HN 0.265 nan 8.250 nan 0.000 0.484 413 V N 2.042 121.746 119.914 -0.351 0.000 2.483 413 V HA 0.549 4.675 4.120 0.010 0.000 0.297 413 V C -0.750 175.113 176.094 -0.386 0.000 1.027 413 V CA -0.947 61.105 62.300 -0.414 0.000 0.855 413 V CB 1.236 32.742 31.823 -0.529 0.000 0.995 413 V HN 0.903 nan 8.190 nan 0.000 0.424 414 A N 6.016 128.664 122.820 -0.287 0.000 2.365 414 A HA 1.028 5.354 4.320 0.010 0.000 0.318 414 A C -0.769 176.719 177.584 -0.160 0.000 1.091 414 A CA -0.665 51.277 52.037 -0.159 0.000 0.763 414 A CB 1.556 20.508 19.000 -0.080 0.000 1.248 414 A HN 0.827 nan 8.150 nan 0.000 0.442 415 M N 2.123 121.712 119.600 -0.019 0.000 2.271 415 M HA 0.384 4.870 4.480 0.010 0.000 0.285 415 M C -1.764 174.608 176.300 0.121 0.000 1.059 415 M CA -0.241 55.101 55.300 0.070 0.000 0.940 415 M CB 2.525 35.214 32.600 0.147 0.000 1.636 415 M HN 0.574 nan 8.290 nan 0.000 0.460 416 D N 2.189 122.663 120.400 0.125 0.000 2.649 416 D HA 0.386 5.033 4.640 0.010 0.000 0.249 416 D C -1.288 175.082 176.300 0.116 0.000 1.112 416 D CA -0.378 53.655 54.000 0.054 0.000 0.850 416 D CB 2.763 43.592 40.800 0.048 0.000 1.399 416 D HN 0.521 nan 8.370 nan 0.000 0.503 417 E N 1.702 121.908 120.200 0.010 0.000 2.191 417 E HA 0.316 4.672 4.350 0.010 0.000 0.263 417 E C -1.707 174.900 176.600 0.013 0.000 0.881 417 E CA -0.540 55.933 56.400 0.122 0.000 0.757 417 E CB 0.833 30.620 29.700 0.145 0.000 1.147 417 E HN 0.233 nan 8.360 nan 0.000 0.414 418 Y N 3.182 123.552 120.300 0.117 0.000 2.335 418 Y HA 0.369 4.928 4.550 0.016 0.000 0.338 418 Y C -1.030 174.985 175.900 0.191 0.000 0.977 418 Y CA -0.817 57.349 58.100 0.111 0.000 1.114 418 Y CB 1.295 39.795 38.460 0.067 0.000 1.182 418 Y HN 0.507 nan 8.280 nan 0.000 0.463 419 Y N 2.395 122.798 120.300 0.172 0.000 2.326 419 Y HA 0.643 5.199 4.550 0.011 0.000 0.331 419 Y C -0.570 175.422 175.900 0.153 0.000 0.962 419 Y CA -0.380 57.804 58.100 0.141 0.000 1.167 419 Y CB 0.971 39.485 38.460 0.091 0.000 1.148 419 Y HN 0.655 nan 8.280 nan 0.000 0.463 420 S N 3.933 119.511 115.700 -0.203 0.000 2.634 420 S HA 0.447 4.924 4.470 0.010 0.000 0.296 420 S C -1.275 173.163 174.600 -0.270 0.000 1.104 420 S CA -1.146 56.961 58.200 -0.155 0.000 0.920 420 S CB 1.853 65.005 63.200 -0.080 0.000 1.111 420 S HN 0.645 nan 8.310 nan 0.000 0.493 421 E N 0.940 121.012 120.200 -0.214 0.000 2.191 421 E HA 0.521 4.878 4.350 0.010 0.000 0.278 421 E C -0.709 175.723 176.600 -0.280 0.000 0.972 421 E CA -0.420 55.774 56.400 -0.343 0.000 0.804 421 E CB 1.044 30.584 29.700 -0.268 0.000 1.110 421 E HN 0.352 nan 8.360 nan 0.000 0.394 422 L N 1.987 123.020 121.223 -0.317 0.000 2.491 422 L HA 0.509 4.856 4.340 0.010 0.000 0.264 422 L C 0.500 177.255 176.870 -0.193 0.000 1.053 422 L CA -1.319 53.396 54.840 -0.208 0.000 0.858 422 L CB 0.588 42.548 42.059 -0.165 0.000 1.519 422 L HN 0.533 nan 8.230 nan 0.000 0.508 423 M N -0.239 119.280 119.600 -0.135 0.000 2.198 423 M HA 0.314 4.800 4.480 0.010 0.000 0.315 423 M C 0.082 176.319 176.300 -0.104 0.000 1.134 423 M CA -0.220 55.014 55.300 -0.110 0.000 1.171 423 M CB 0.242 32.795 32.600 -0.078 0.000 1.413 423 M HN 0.390 nan 8.290 nan 0.000 0.467 424 L N 1.319 122.492 121.223 -0.082 0.000 3.833 424 L HA -0.288 4.058 4.340 0.010 0.000 0.447 424 L C 0.969 177.798 176.870 -0.069 0.000 1.213 424 L CA 0.773 55.576 54.840 -0.062 0.000 0.801 424 L CB -2.654 39.379 42.059 -0.043 0.000 1.676 424 L HN 1.326 nan 8.230 nan 0.000 0.883 425 G N -1.796 106.942 108.800 -0.103 0.000 2.179 425 G HA2 -0.218 3.749 3.960 0.010 0.000 0.260 425 G HA3 -0.218 3.749 3.960 0.010 0.000 0.260 425 G C 0.648 175.446 174.900 -0.170 0.000 0.977 425 G CA 0.230 45.269 45.100 -0.102 0.000 0.641 425 G HN 1.098 nan 8.290 nan 0.000 0.533 426 G N -1.033 107.646 108.800 -0.203 0.000 2.651 426 G HA2 0.552 4.519 3.960 0.010 0.000 0.260 426 G HA3 0.552 4.519 3.960 0.010 0.000 0.260 426 G C -0.346 174.267 174.900 -0.478 0.000 1.216 426 G CA -0.102 44.885 45.100 -0.188 0.000 0.913 426 G HN 0.490 nan 8.290 nan 0.000 0.535 427 H N -0.948 118.066 119.070 -0.093 0.000 2.985 427 H HA 0.367 4.929 4.556 0.011 0.000 0.360 427 H C -0.970 174.262 175.328 -0.159 0.000 1.221 427 H CA -0.629 55.288 56.048 -0.219 0.000 1.121 427 H CB 2.366 31.965 29.762 -0.272 0.000 1.854 427 H HN 0.608 nan 8.280 nan 0.000 0.551 428 N N 0.967 119.604 118.700 -0.105 0.000 2.310 428 N HA 0.250 4.996 4.740 0.010 0.000 0.292 428 N C -1.250 174.285 175.510 0.042 0.000 1.049 428 N CA -0.424 52.614 53.050 -0.020 0.000 0.849 428 N CB 2.500 40.958 38.487 -0.049 0.000 1.532 428 N HN 0.441 nan 8.380 nan 0.000 0.479 429 R N 4.734 125.328 120.500 0.157 0.000 2.439 429 R HA 0.514 4.860 4.340 0.010 0.000 0.310 429 R C -1.180 175.233 176.300 0.189 0.000 0.955 429 R CA -0.465 55.791 56.100 0.260 0.000 0.853 429 R CB 0.946 31.438 30.300 0.320 0.000 1.171 429 R HN 0.538 nan 8.270 nan 0.000 0.449 430 I N 2.444 123.145 120.570 0.218 0.000 2.465 430 I HA 0.298 4.474 4.170 0.010 0.000 0.291 430 I C -0.500 175.774 176.117 0.261 0.000 1.014 430 I CA -0.697 60.712 61.300 0.183 0.000 1.093 430 I CB 2.371 40.426 38.000 0.092 0.000 1.267 430 I HN 0.493 nan 8.210 nan 0.000 0.431 431 S N 6.604 122.427 115.700 0.204 0.000 2.478 431 S HA 0.609 5.085 4.470 0.010 0.000 0.312 431 S C -0.454 174.270 174.600 0.206 0.000 1.094 431 S CA -0.566 57.764 58.200 0.218 0.000 1.081 431 S CB 1.462 64.765 63.200 0.171 0.000 1.007 431 S HN 0.278 nan 8.310 nan 0.000 0.475 432 I N 3.855 124.568 120.570 0.238 0.000 2.355 432 I HA 0.293 4.469 4.170 0.010 0.000 0.288 432 I C -0.039 176.193 176.117 0.193 0.000 0.999 432 I CA -0.334 61.087 61.300 0.202 0.000 1.163 432 I CB 0.987 39.116 38.000 0.215 0.000 1.316 432 I HN 0.702 nan 8.210 nan 0.000 0.454 433 H N 6.950 126.072 119.070 0.086 0.000 2.551 433 H HA 0.388 4.951 4.556 0.011 0.000 0.321 433 H C -1.278 174.080 175.328 0.051 0.000 1.028 433 H CA -0.293 55.796 56.048 0.068 0.000 1.215 433 H CB 1.425 31.223 29.762 0.059 0.000 1.414 433 H HN 0.506 nan 8.280 nan 0.000 0.480 434 N N 4.466 123.066 118.700 -0.165 0.000 2.354 434 N HA 0.282 5.028 4.740 0.010 0.000 0.287 434 N C -1.571 173.864 175.510 -0.126 0.000 1.016 434 N CA -0.424 52.587 53.050 -0.064 0.000 0.871 434 N CB 1.861 40.329 38.487 -0.032 0.000 1.299 434 N HN 0.284 nan 8.380 nan 0.000 0.482 435 V N 2.701 122.606 119.914 -0.015 0.000 2.638 435 V HA 0.676 4.803 4.120 0.010 0.000 0.306 435 V C -0.194 175.910 176.094 0.016 0.000 1.052 435 V CA -0.701 61.593 62.300 -0.011 0.000 0.885 435 V CB 1.076 32.937 31.823 0.064 0.000 0.999 435 V HN 0.978 nan 8.190 nan 0.000 0.424 436 C N 1.823 121.126 119.300 0.004 0.000 3.197 436 C HA 0.496 4.962 4.460 0.010 0.000 0.343 436 C C -0.942 174.058 174.990 0.016 0.000 1.291 436 C CA -0.925 58.106 59.018 0.022 0.000 1.191 436 C CB 1.395 29.154 27.740 0.032 0.000 1.444 436 C HN 0.854 nan 8.230 nan 0.000 0.468 437 E N 1.454 121.670 120.200 0.027 0.000 2.166 437 E HA 0.055 4.412 4.350 0.010 0.000 0.279 437 E C 0.265 176.882 176.600 0.028 0.000 1.095 437 E CA 0.069 56.484 56.400 0.024 0.000 0.888 437 E CB 0.935 30.651 29.700 0.027 0.000 1.041 437 E HN 0.619 nan 8.360 nan 0.000 0.414 438 D N 2.244 122.658 120.400 0.023 0.000 2.157 438 D HA -0.174 4.472 4.640 0.010 0.000 0.191 438 D C 1.433 177.754 176.300 0.036 0.000 1.004 438 D CA 1.490 55.507 54.000 0.030 0.000 0.854 438 D CB 0.192 41.011 40.800 0.031 0.000 0.936 438 D HN 0.251 nan 8.370 nan 0.000 0.446 439 S N -0.538 115.180 115.700 0.032 0.000 2.423 439 S HA -0.036 4.441 4.470 0.010 0.000 0.231 439 S C 2.014 176.637 174.600 0.039 0.000 1.014 439 S CA 0.237 58.454 58.200 0.030 0.000 0.965 439 S CB -0.047 63.163 63.200 0.017 0.000 0.785 439 S HN 0.335 nan 8.310 nan 0.000 0.495 440 L N 0.621 121.869 121.223 0.043 0.000 2.551 440 L HA 0.082 4.428 4.340 0.010 0.000 0.228 440 L C 1.739 178.656 176.870 0.077 0.000 1.153 440 L CA 0.643 55.517 54.840 0.057 0.000 0.851 440 L CB -0.240 41.854 42.059 0.058 0.000 0.959 440 L HN 0.326 nan 8.230 nan 0.000 0.451 441 L N -1.573 119.692 121.223 0.070 0.000 2.467 441 L HA 0.128 4.474 4.340 0.010 0.000 0.213 441 L C 2.618 179.539 176.870 0.084 0.000 1.053 441 L CA 0.549 55.438 54.840 0.081 0.000 0.847 441 L CB -0.168 41.931 42.059 0.068 0.000 1.075 441 L HN 0.135 nan 8.230 nan 0.000 0.479 442 A N -0.158 122.702 122.820 0.066 0.000 1.897 442 A HA -0.125 4.201 4.320 0.010 0.000 0.215 442 A C 2.234 179.850 177.584 0.052 0.000 1.181 442 A CA 1.960 54.034 52.037 0.061 0.000 0.620 442 A CB -0.686 18.342 19.000 0.046 0.000 0.821 442 A HN 0.293 nan 8.150 nan 0.000 0.443 443 T N 1.025 115.610 114.554 0.052 0.000 2.580 443 T HA -0.117 4.239 4.350 0.010 0.000 0.265 443 T C -0.153 174.584 174.700 0.062 0.000 1.063 443 T CA 2.020 64.152 62.100 0.053 0.000 1.170 443 T CB -1.223 67.684 68.868 0.064 0.000 0.863 443 T HN 0.485 nan 8.240 nan 0.000 0.418 444 P HA -0.063 nan 4.420 nan 0.000 0.219 444 P C 1.799 179.116 177.300 0.028 0.000 1.146 444 P CA 0.975 64.124 63.100 0.083 0.000 0.808 444 P CB -0.218 31.561 31.700 0.131 0.000 0.779 445 L N -0.804 120.451 121.223 0.055 0.000 2.056 445 L HA -0.097 4.249 4.340 0.010 0.000 0.207 445 L C 2.623 179.415 176.870 -0.130 0.000 1.078 445 L CA 1.294 56.155 54.840 0.036 0.000 0.749 445 L CB -0.558 41.592 42.059 0.151 0.000 0.901 445 L HN -0.179 nan 8.230 nan 0.000 0.433 446 I N 0.035 120.570 120.570 -0.059 0.000 2.226 446 I HA -0.359 3.817 4.170 0.010 0.000 0.245 446 I C 2.430 178.479 176.117 -0.112 0.000 1.100 446 I CA 1.495 62.744 61.300 -0.085 0.000 1.374 446 I CB -0.168 37.809 38.000 -0.040 0.000 1.057 446 I HN 0.285 nan 8.210 nan 0.000 0.413 447 I N 0.554 121.089 120.570 -0.057 0.000 2.226 447 I HA -0.319 3.858 4.170 0.010 0.000 0.245 447 I C 2.049 178.087 176.117 -0.132 0.000 1.100 447 I CA 1.396 62.694 61.300 -0.003 0.000 1.374 447 I CB -0.510 37.458 38.000 -0.054 0.000 1.057 447 I HN 0.247 nan 8.210 nan 0.000 0.413 448 D N 0.841 121.058 120.400 -0.305 0.000 2.144 448 D HA -0.132 4.514 4.640 0.010 0.000 0.199 448 D C 2.352 178.194 176.300 -0.762 0.000 0.984 448 D CA 1.168 54.841 54.000 -0.546 0.000 0.834 448 D CB -0.244 40.122 40.800 -0.723 0.000 0.955 448 D HN 0.297 nan 8.370 nan 0.000 0.465 449 L N 0.208 120.981 121.223 -0.749 0.000 2.046 449 L HA -0.130 4.216 4.340 0.010 0.000 0.208 449 L C 2.532 179.242 176.870 -0.267 0.000 1.077 449 L CA 0.688 55.188 54.840 -0.566 0.000 0.747 449 L CB -0.283 41.572 42.059 -0.341 0.000 0.896 449 L HN 0.044 nan 8.230 nan 0.000 0.432 450 L N -1.316 119.798 121.223 -0.181 0.000 2.056 450 L HA -0.175 4.171 4.340 0.010 0.000 0.207 450 L C 2.498 179.381 176.870 0.021 0.000 1.078 450 L CA 0.697 55.474 54.840 -0.105 0.000 0.749 450 L CB -0.502 41.424 42.059 -0.222 0.000 0.901 450 L HN 0.054 nan 8.230 nan 0.000 0.433 451 V N -0.467 119.484 119.914 0.063 0.000 2.343 451 V HA -0.267 3.859 4.120 0.010 0.000 0.247 451 V C 2.492 178.662 176.094 0.126 0.000 1.051 451 V CA 1.502 63.877 62.300 0.125 0.000 1.036 451 V CB -0.312 31.537 31.823 0.042 0.000 0.654 451 V HN 0.377 nan 8.190 nan 0.000 0.451 452 M N -0.889 118.722 119.600 0.017 0.000 2.349 452 M HA -0.054 4.433 4.480 0.010 0.000 0.266 452 M C 2.170 178.604 176.300 0.222 0.000 1.076 452 M CA 1.355 56.732 55.300 0.129 0.000 1.126 452 M CB -1.387 31.231 32.600 0.030 0.000 1.392 452 M HN 0.350 nan 8.290 nan 0.000 0.440 453 T N 0.258 114.884 114.554 0.120 0.000 2.812 453 T HA -0.110 4.246 4.350 0.010 0.000 0.264 453 T C 1.832 176.680 174.700 0.247 0.000 1.042 453 T CA 1.123 63.316 62.100 0.155 0.000 1.140 453 T CB -0.037 68.882 68.868 0.084 0.000 0.870 453 T HN 0.313 nan 8.240 nan 0.000 0.445 454 E N 0.789 121.114 120.200 0.208 0.000 2.077 454 E HA -0.129 4.228 4.350 0.010 0.000 0.193 454 E C 1.948 178.703 176.600 0.259 0.000 0.989 454 E CA 1.098 57.623 56.400 0.208 0.000 0.800 454 E CB -0.392 29.421 29.700 0.188 0.000 0.746 454 E HN 0.511 nan 8.360 nan 0.000 0.452 455 F N 0.937 120.992 119.950 0.176 0.000 2.095 455 F HA -0.242 4.292 4.527 0.010 0.000 0.298 455 F C 2.552 178.525 175.800 0.288 0.000 1.104 455 F CA 1.832 59.951 58.000 0.198 0.000 1.232 455 F CB -0.426 38.691 39.000 0.195 0.000 0.987 455 F HN 0.097 nan 8.300 nan 0.000 0.475 456 C N 0.277 119.896 119.300 0.532 0.000 2.432 456 C HA -0.121 4.345 4.460 0.010 0.000 0.282 456 C C 2.749 178.131 174.990 0.653 0.000 1.388 456 C CA 1.463 60.848 59.018 0.612 0.000 1.777 456 C CB -1.842 26.176 27.740 0.464 0.000 1.882 456 C HN 0.700 nan 8.230 nan 0.000 0.520 457 T N -1.373 113.464 114.554 0.471 0.000 3.035 457 T HA -0.071 4.285 4.350 0.010 0.000 0.268 457 T C 1.481 176.246 174.700 0.108 0.000 1.109 457 T CA 0.859 63.111 62.100 0.254 0.000 1.119 457 T CB -0.348 68.583 68.868 0.105 0.000 0.900 457 T HN 0.578 nan 8.240 nan 0.000 0.503 458 R N 0.488 121.025 120.500 0.063 0.000 2.466 458 R HA 0.410 4.756 4.340 0.010 0.000 0.279 458 R C -0.735 175.526 176.300 -0.066 0.000 0.976 458 R CA -0.141 55.929 56.100 -0.051 0.000 1.081 458 R CB 0.638 30.854 30.300 -0.141 0.000 1.215 458 R HN 0.274 nan 8.270 nan 0.000 0.546 459 V N 1.023 120.995 119.914 0.097 0.000 2.540 459 V HA 0.333 4.460 4.120 0.010 0.000 0.302 459 V C -0.295 175.976 176.094 0.295 0.000 1.035 459 V CA -0.676 61.717 62.300 0.155 0.000 0.873 459 V CB 1.982 33.965 31.823 0.266 0.000 0.992 459 V HN 0.207 nan 8.190 nan 0.000 0.428 460 S N 4.089 119.915 115.700 0.211 0.000 2.599 460 S HA 0.928 5.404 4.470 0.010 0.000 0.287 460 S C -1.099 173.736 174.600 0.392 0.000 1.105 460 S CA -0.828 57.531 58.200 0.266 0.000 0.899 460 S CB 2.103 65.325 63.200 0.037 0.000 1.100 460 S HN 0.890 nan 8.310 nan 0.000 0.482 461 Y N -0.998 119.490 120.300 0.313 0.000 2.615 461 Y HA 0.847 5.403 4.550 0.011 0.000 0.341 461 Y C -1.266 174.771 175.900 0.229 0.000 1.089 461 Y CA -1.217 56.986 58.100 0.171 0.000 1.049 461 Y CB 1.550 39.904 38.460 -0.177 0.000 1.296 461 Y HN 0.939 nan 8.280 nan 0.000 0.470 462 K N 1.305 121.736 120.400 0.052 0.000 2.550 462 K HA 0.489 4.815 4.320 0.010 0.000 0.252 462 K C -1.864 174.692 176.600 -0.074 0.000 0.943 462 K CA -1.050 55.121 56.287 -0.193 0.000 0.806 462 K CB 2.455 34.590 32.500 -0.607 0.000 1.289 462 K HN 0.729 nan 8.250 nan 0.000 0.435 463 K N 1.508 121.834 120.400 -0.123 0.000 2.202 463 K HA 0.387 4.714 4.320 0.010 0.000 0.264 463 K C 0.203 176.652 176.600 -0.252 0.000 1.010 463 K CA -0.594 55.495 56.287 -0.330 0.000 0.940 463 K CB 1.275 33.599 32.500 -0.293 0.000 0.983 463 K HN 0.573 nan 8.250 nan 0.000 0.475 474 F N 2.233 122.122 119.950 -0.102 0.000 2.629 474 F HA 0.052 4.585 4.527 0.010 0.000 0.377 474 F C 0.922 176.620 175.800 -0.171 0.000 1.101 474 F CA 0.688 58.602 58.000 -0.143 0.000 1.301 474 F CB 0.433 39.387 39.000 -0.078 0.000 1.062 474 F HN 0.386 nan 8.300 nan 0.000 0.583 475 E N 1.948 122.072 120.200 -0.127 0.000 2.235 475 E HA 0.237 4.594 4.350 0.010 0.000 0.265 475 E C -0.453 176.149 176.600 0.004 0.000 0.940 475 E CA -1.022 55.281 56.400 -0.160 0.000 0.819 475 E CB 0.917 30.401 29.700 -0.360 0.000 1.206 475 E HN 0.420 nan 8.360 nan 0.000 0.409 476 N N 0.998 119.807 118.700 0.182 0.000 2.479 476 N HA 0.024 4.770 4.740 0.010 0.000 0.257 476 N C -0.330 175.664 175.510 0.806 0.000 1.232 476 N CA 0.060 53.343 53.050 0.387 0.000 0.920 476 N CB 0.385 39.014 38.487 0.235 0.000 1.105 476 N HN 0.449 nan 8.380 nan 0.000 0.444 477 F N 4.479 124.914 119.950 0.808 0.000 2.624 477 F HA -0.103 4.431 4.527 0.011 0.000 0.352 477 F C 0.158 176.186 175.800 0.381 0.000 1.275 477 F CA -0.788 57.602 58.000 0.650 0.000 1.220 477 F CB -0.480 38.799 39.000 0.466 0.000 1.674 477 F HN 0.480 nan 8.300 nan 0.000 0.683 478 Y N 6.812 127.473 120.300 0.603 0.000 2.628 478 Y HA -0.252 4.304 4.550 0.010 0.000 0.319 478 Y C -1.751 174.125 175.900 -0.041 0.000 1.562 478 Y CA -0.901 57.350 58.100 0.251 0.000 1.293 478 Y CB -0.543 37.983 38.460 0.110 0.000 1.753 478 Y HN 0.497 nan 8.280 nan 0.000 0.308 479 P HA -0.301 nan 4.420 nan 0.000 0.230 479 P C 0.217 177.117 177.300 -0.667 0.000 1.124 479 P CA 2.604 65.651 63.100 -0.088 0.000 0.985 479 P CB -0.080 31.632 31.700 0.020 0.000 0.774 480 V N 0.731 119.984 119.914 -1.102 0.000 2.377 480 V HA -0.063 4.063 4.120 0.010 0.000 0.254 480 V C 0.777 176.346 176.094 -0.874 0.000 1.060 480 V CA 0.297 62.059 62.300 -0.898 0.000 1.068 480 V CB -1.111 30.242 31.823 -0.784 0.000 1.113 480 V HN 0.036 nan 8.190 nan 0.000 0.484 481 L N 5.294 126.066 121.223 -0.752 0.000 2.462 481 L HA 0.113 4.459 4.340 0.010 0.000 0.283 481 L C 1.631 178.212 176.870 -0.481 0.000 1.166 481 L CA -0.032 54.349 54.840 -0.764 0.000 0.964 481 L CB -0.243 41.420 42.059 -0.659 0.000 1.294 481 L HN 0.619 nan 8.230 nan 0.000 0.449 482 T N 1.074 115.309 114.554 -0.532 0.000 2.867 482 T HA -0.125 4.231 4.350 0.010 0.000 0.268 482 T C 1.565 176.166 174.700 -0.164 0.000 1.057 482 T CA 1.252 63.157 62.100 -0.326 0.000 1.136 482 T CB -0.189 68.469 68.868 -0.350 0.000 0.874 482 T HN 0.412 nan 8.240 nan 0.000 0.466 483 F N 1.135 120.958 119.950 -0.211 0.000 2.373 483 F HA 0.003 4.536 4.527 0.010 0.000 0.300 483 F C 1.556 177.381 175.800 0.042 0.000 1.080 483 F CA 0.321 58.258 58.000 -0.105 0.000 1.417 483 F CB -0.389 38.539 39.000 -0.120 0.000 1.070 483 F HN 0.140 nan 8.300 nan 0.000 0.546 484 L N -1.168 120.213 121.223 0.264 0.000 2.627 484 L HA 0.022 4.368 4.340 0.010 0.000 0.232 484 L C 1.724 178.778 176.870 0.307 0.000 1.150 484 L CA 0.058 55.170 54.840 0.453 0.000 0.917 484 L CB -0.634 41.596 42.059 0.285 0.000 1.104 484 L HN 0.015 nan 8.230 nan 0.000 0.445 485 S N -0.399 115.379 115.700 0.130 0.000 2.428 485 S HA -0.173 4.303 4.470 0.010 0.000 0.230 485 S C 1.784 176.393 174.600 0.014 0.000 1.014 485 S CA 0.618 58.857 58.200 0.065 0.000 0.957 485 S CB -0.233 62.981 63.200 0.024 0.000 0.784 485 S HN 0.526 nan 8.310 nan 0.000 0.499 486 Y N 0.856 121.003 120.300 -0.256 0.000 2.256 486 Y HA -0.134 4.423 4.550 0.012 0.000 0.288 486 Y C 1.146 176.785 175.900 -0.436 0.000 1.155 486 Y CA 1.393 59.185 58.100 -0.513 0.000 1.203 486 Y CB -0.007 37.822 38.460 -1.051 0.000 0.980 486 Y HN 0.345 nan 8.280 nan 0.000 0.530 487 W N 0.595 121.972 121.300 0.128 0.000 2.926 487 W HA 0.402 5.068 4.660 0.009 0.000 0.419 487 W C -1.183 175.343 176.519 0.012 0.000 0.993 487 W CA -0.191 57.187 57.345 0.054 0.000 2.025 487 W CB -0.067 29.468 29.460 0.125 0.000 1.152 487 W HN -0.101 nan 8.180 nan 0.000 0.659 488 L N 0.866 122.184 121.223 0.157 0.000 2.482 488 L HA 0.231 4.577 4.340 0.010 0.000 0.269 488 L C 1.459 178.357 176.870 0.047 0.000 0.967 488 L CA -0.323 54.583 54.840 0.110 0.000 0.851 488 L CB 2.552 44.687 42.059 0.127 0.000 1.242 488 L HN -0.243 nan 8.230 nan 0.000 0.404 489 K N 2.815 123.237 120.400 0.036 0.000 2.074 489 K HA -0.100 4.226 4.320 0.010 0.000 0.209 489 K C 0.771 177.385 176.600 0.023 0.000 1.048 489 K CA 1.833 58.130 56.287 0.017 0.000 0.926 489 K CB 0.183 32.696 32.500 0.022 0.000 0.713 489 K HN 0.676 nan 8.250 nan 0.000 0.444 490 A N 1.964 124.808 122.820 0.039 0.000 3.047 490 A HA 0.345 4.672 4.320 0.010 0.000 0.337 490 A C -2.571 175.045 177.584 0.052 0.000 1.143 490 A CA -1.642 50.422 52.037 0.045 0.000 0.905 490 A CB 0.453 19.487 19.000 0.056 0.000 1.088 490 A HN 0.098 nan 8.150 nan 0.000 0.488 491 P HA -0.105 nan 4.420 nan 0.000 0.255 491 P C 0.348 177.673 177.300 0.042 0.000 1.151 491 P CA 0.379 63.504 63.100 0.040 0.000 0.767 491 P CB 0.280 31.998 31.700 0.030 0.000 0.736 492 L N 4.523 125.768 121.223 0.037 0.000 2.482 492 L HA 0.245 4.591 4.340 0.010 0.000 0.273 492 L C 0.619 177.492 176.870 0.006 0.000 1.228 492 L CA 1.130 55.988 54.840 0.030 0.000 0.827 492 L CB 0.419 42.479 42.059 0.001 0.000 1.099 492 L HN 0.498 nan 8.230 nan 0.000 0.494 493 T N 1.950 116.523 114.554 0.031 0.000 2.696 493 T HA 0.495 4.851 4.350 0.010 0.000 0.291 493 T C -0.415 174.359 174.700 0.123 0.000 1.095 493 T CA -0.946 61.200 62.100 0.076 0.000 1.026 493 T CB 1.733 70.676 68.868 0.125 0.000 1.390 493 T HN 0.714 nan 8.240 nan 0.000 0.513 494 R N 0.655 121.296 120.500 0.235 0.000 2.407 494 R HA 0.519 4.865 4.340 0.010 0.000 0.303 494 R C -2.711 173.717 176.300 0.213 0.000 0.981 494 R CA -2.113 54.171 56.100 0.307 0.000 0.905 494 R CB 0.604 31.188 30.300 0.473 0.000 1.099 494 R HN 0.391 nan 8.270 nan 0.000 0.459 495 P HA -0.019 nan 4.420 nan 0.000 0.255 495 P C 0.100 177.361 177.300 -0.064 0.000 1.173 495 P CA 1.410 64.531 63.100 0.035 0.000 0.780 495 P CB 0.640 32.355 31.700 0.024 0.000 0.758 496 G N 2.669 111.437 108.800 -0.055 0.000 2.424 496 G HA2 -0.215 3.751 3.960 0.010 0.000 0.207 496 G HA3 -0.215 3.751 3.960 0.010 0.000 0.207 496 G C -0.152 174.736 174.900 -0.021 0.000 1.061 496 G CA -0.663 44.349 45.100 -0.147 0.000 0.657 496 G HN 0.366 nan 8.290 nan 0.000 0.508 497 F N 3.560 123.617 119.950 0.178 0.000 2.427 497 F HA 0.560 5.093 4.527 0.010 0.000 0.352 497 F C 1.209 177.194 175.800 0.307 0.000 1.100 497 F CA -0.424 57.694 58.000 0.196 0.000 1.191 497 F CB 0.470 39.525 39.000 0.092 0.000 1.128 497 F HN 0.206 nan 8.300 nan 0.000 0.533 498 H N 3.063 122.267 119.070 0.223 0.000 2.487 498 H HA 0.314 4.877 4.556 0.011 0.000 0.333 498 H C -1.930 173.461 175.328 0.105 0.000 1.114 498 H CA -2.133 53.991 56.048 0.127 0.000 1.310 498 H CB 0.779 30.596 29.762 0.092 0.000 1.462 498 H HN 0.385 nan 8.280 nan 0.000 0.516 499 P HA 0.075 nan 4.420 nan 0.000 0.274 499 P C -0.660 176.694 177.300 0.090 0.000 1.237 499 P CA -0.403 62.763 63.100 0.110 0.000 0.793 499 P CB 1.345 33.091 31.700 0.078 0.000 0.977 500 V N 2.926 122.872 119.914 0.054 0.000 2.444 500 V HA 0.219 4.345 4.120 0.010 0.000 0.294 500 V C 0.953 177.063 176.094 0.027 0.000 1.022 500 V CA -0.525 61.800 62.300 0.042 0.000 0.850 500 V CB 1.230 33.073 31.823 0.033 0.000 0.992 500 V HN 0.533 nan 8.190 nan 0.000 0.426 501 N N 3.063 121.776 118.700 0.022 0.000 2.299 501 N HA 0.033 4.780 4.740 0.010 0.000 0.187 501 N C 1.236 176.741 175.510 -0.008 0.000 1.099 501 N CA 0.300 53.351 53.050 0.002 0.000 0.867 501 N CB 0.785 39.274 38.487 0.004 0.000 0.974 501 N HN 0.805 nan 8.380 nan 0.000 0.477 502 G N 1.960 110.766 108.800 0.010 0.000 2.178 502 G HA2 -0.028 3.938 3.960 0.010 0.000 0.276 502 G HA3 -0.028 3.938 3.960 0.010 0.000 0.276 502 G C 1.183 176.089 174.900 0.009 0.000 1.038 502 G CA -0.200 44.909 45.100 0.015 0.000 1.177 502 G HN 0.144 nan 8.290 nan 0.000 0.396 503 L N 3.075 124.287 121.223 -0.017 0.000 2.043 503 L HA -0.166 4.180 4.340 0.010 0.000 0.212 503 L C 2.522 179.449 176.870 0.095 0.000 1.075 503 L CA 2.027 56.850 54.840 -0.028 0.000 0.752 503 L CB -0.321 41.661 42.059 -0.127 0.000 0.891 503 L HN 0.698 nan 8.230 nan 0.000 0.432 504 N N -1.036 117.702 118.700 0.063 0.000 2.244 504 N HA -0.186 4.561 4.740 0.010 0.000 0.183 504 N C 1.492 177.029 175.510 0.045 0.000 1.016 504 N CA 1.094 54.181 53.050 0.061 0.000 0.866 504 N CB -0.020 38.491 38.487 0.039 0.000 0.980 504 N HN 0.437 nan 8.380 nan 0.000 0.430 505 K N 0.849 121.274 120.400 0.043 0.000 2.228 505 K HA -0.033 4.293 4.320 0.010 0.000 0.202 505 K C 1.711 178.335 176.600 0.039 0.000 1.051 505 K CA 0.645 56.954 56.287 0.036 0.000 0.960 505 K CB 0.092 32.614 32.500 0.036 0.000 0.743 505 K HN 0.237 nan 8.250 nan 0.000 0.458 506 Q N 0.239 120.071 119.800 0.054 0.000 2.311 506 Q HA -0.046 4.300 4.340 0.010 0.000 0.203 506 Q C 1.978 177.953 176.000 -0.042 0.000 0.954 506 Q CA 0.826 56.659 55.803 0.050 0.000 0.885 506 Q CB 0.181 28.968 28.738 0.080 0.000 0.963 506 Q HN 0.186 nan 8.270 nan 0.000 0.471 507 R N -0.472 119.994 120.500 -0.058 0.000 2.223 507 R HA 0.033 4.379 4.340 0.010 0.000 0.198 507 R C 1.605 177.838 176.300 -0.113 0.000 0.984 507 R CA 0.858 56.816 56.100 -0.236 0.000 1.018 507 R CB 0.339 30.472 30.300 -0.279 0.000 0.945 507 R HN 0.038 nan 8.270 nan 0.000 0.479 508 T N 0.499 115.025 114.554 -0.048 0.000 2.904 508 T HA 0.016 4.373 4.350 0.010 0.000 0.267 508 T C 1.653 176.327 174.700 -0.043 0.000 1.059 508 T CA 1.097 63.178 62.100 -0.032 0.000 1.137 508 T CB 0.008 68.875 68.868 -0.001 0.000 0.879 508 T HN 0.392 nan 8.240 nan 0.000 0.467 509 A N 1.472 124.274 122.820 -0.029 0.000 1.841 509 A HA 0.030 4.356 4.320 0.010 0.000 0.214 509 A C 2.232 179.648 177.584 -0.281 0.000 1.195 509 A CA 1.170 53.197 52.037 -0.017 0.000 0.611 509 A CB -0.907 18.192 19.000 0.166 0.000 0.835 509 A HN 0.447 nan 8.150 nan 0.000 0.443 510 L N -0.637 120.387 121.223 -0.331 0.000 2.013 510 L HA -0.260 4.086 4.340 0.010 0.000 0.212 510 L C 2.688 179.402 176.870 -0.259 0.000 1.073 510 L CA 2.082 56.688 54.840 -0.391 0.000 0.753 510 L CB -0.581 41.401 42.059 -0.129 0.000 0.890 510 L HN 0.644 nan 8.230 nan 0.000 0.432 511 E N 0.266 120.364 120.200 -0.171 0.000 2.058 511 E HA -0.246 4.111 4.350 0.010 0.000 0.194 511 E C 1.964 178.441 176.600 -0.206 0.000 0.997 511 E CA 1.533 57.819 56.400 -0.190 0.000 0.801 511 E CB 0.068 29.704 29.700 -0.106 0.000 0.746 511 E HN 0.436 nan 8.360 nan 0.000 0.450 512 N N -0.032 118.578 118.700 -0.150 0.000 2.244 512 N HA -0.146 4.601 4.740 0.010 0.000 0.183 512 N C 1.606 177.010 175.510 -0.177 0.000 1.016 512 N CA 0.913 53.888 53.050 -0.124 0.000 0.866 512 N CB -0.445 38.017 38.487 -0.042 0.000 0.980 512 N HN 0.259 nan 8.380 nan 0.000 0.430 513 F N 1.682 121.388 119.950 -0.407 0.000 2.102 513 F HA -0.085 4.449 4.527 0.011 0.000 0.298 513 F C 2.066 177.617 175.800 -0.415 0.000 1.105 513 F CA 0.965 58.670 58.000 -0.492 0.000 1.239 513 F CB -0.063 38.487 39.000 -0.750 0.000 0.991 513 F HN -0.074 nan 8.300 nan 0.000 0.474 514 L N 0.040 120.985 121.223 -0.464 0.000 2.046 514 L HA -0.222 4.125 4.340 0.010 0.000 0.208 514 L C 2.598 179.226 176.870 -0.405 0.000 1.077 514 L CA 1.428 55.962 54.840 -0.510 0.000 0.747 514 L CB -0.666 41.073 42.059 -0.532 0.000 0.896 514 L HN 0.117 nan 8.230 nan 0.000 0.432 515 R N 0.127 120.432 120.500 -0.325 0.000 2.066 515 R HA -0.172 4.175 4.340 0.010 0.000 0.232 515 R C 2.244 178.415 176.300 -0.215 0.000 1.131 515 R CA 1.530 57.493 56.100 -0.229 0.000 0.955 515 R CB -0.517 29.682 30.300 -0.169 0.000 0.851 515 R HN 0.292 nan 8.270 nan 0.000 0.432 516 L N -0.592 120.455 121.223 -0.293 0.000 2.201 516 L HA -0.053 4.294 4.340 0.010 0.000 0.212 516 L C 1.706 178.399 176.870 -0.295 0.000 1.105 516 L CA 1.653 56.317 54.840 -0.294 0.000 0.775 516 L CB -0.565 41.093 42.059 -0.667 0.000 0.913 516 L HN 0.061 nan 8.230 nan 0.000 0.440 517 L N 0.385 121.345 121.223 -0.438 0.000 2.291 517 L HA -0.000 4.346 4.340 0.010 0.000 0.214 517 L C 1.978 178.738 176.870 -0.184 0.000 1.120 517 L CA 1.065 55.684 54.840 -0.370 0.000 0.799 517 L CB -0.305 41.466 42.059 -0.479 0.000 0.925 517 L HN 0.536 nan 8.230 nan 0.000 0.446 518 I N -3.983 116.500 120.570 -0.146 0.000 3.816 518 I HA 0.454 4.630 4.170 0.010 0.000 0.334 518 I C 1.023 177.128 176.117 -0.021 0.000 1.551 518 I CA 0.170 61.433 61.300 -0.061 0.000 1.153 518 I CB 0.104 38.073 38.000 -0.053 0.000 1.197 518 I HN 0.129 nan 8.210 nan 0.000 0.439 519 G N 1.816 110.610 108.800 -0.009 0.000 2.148 519 G HA2 -0.237 3.730 3.960 0.010 0.000 0.254 519 G HA3 -0.237 3.730 3.960 0.010 0.000 0.254 519 G C -0.042 174.877 174.900 0.033 0.000 0.981 519 G CA 0.275 45.398 45.100 0.038 0.000 0.670 519 G HN 0.453 nan 8.290 nan 0.000 0.528 520 L N 1.809 123.030 121.223 -0.003 0.000 2.325 520 L HA 0.520 4.867 4.340 0.010 0.000 0.279 520 L C -1.244 175.638 176.870 0.021 0.000 1.054 520 L CA -2.298 52.537 54.840 -0.008 0.000 0.804 520 L CB 1.478 43.506 42.059 -0.051 0.000 1.200 520 L HN -0.027 nan 8.230 nan 0.000 0.436 521 P HA 0.116 nan 4.420 nan 0.000 0.277 521 P C -0.696 176.623 177.300 0.032 0.000 1.271 521 P CA -0.522 62.619 63.100 0.068 0.000 0.795 521 P CB 0.897 32.622 31.700 0.043 0.000 1.101 522 S N 0.038 115.773 115.700 0.059 0.000 2.572 522 S HA 0.086 4.563 4.470 0.010 0.000 0.279 522 S C 0.491 175.083 174.600 -0.015 0.000 1.341 522 S CA -0.689 57.526 58.200 0.025 0.000 1.043 522 S CB -0.083 63.153 63.200 0.059 0.000 0.887 522 S HN 0.343 nan 8.310 nan 0.000 0.516 523 Q N 2.102 121.881 119.800 -0.035 0.000 2.330 523 Q HA 0.079 4.425 4.340 0.010 0.000 0.279 523 Q C 0.465 176.432 176.000 -0.055 0.000 1.024 523 Q CA 0.233 56.003 55.803 -0.055 0.000 0.900 523 Q CB 0.355 29.060 28.738 -0.055 0.000 1.221 523 Q HN 1.001 nan 8.270 nan 0.000 0.396 524 N N 0.302 118.952 118.700 -0.083 0.000 2.257 524 N HA -0.039 4.707 4.740 0.010 0.000 0.200 524 N C -0.288 175.151 175.510 -0.119 0.000 1.163 524 N CA -0.062 52.927 53.050 -0.102 0.000 0.891 524 N CB 0.534 38.938 38.487 -0.139 0.000 1.067 524 N HN 0.357 nan 8.380 nan 0.000 0.497 525 E N -0.394 119.735 120.200 -0.117 0.000 3.170 525 E HA -0.190 4.166 4.350 0.010 0.000 0.284 525 E C 0.575 177.089 176.600 -0.143 0.000 0.967 525 E CA 0.485 56.824 56.400 -0.103 0.000 0.919 525 E CB -1.778 27.886 29.700 -0.061 0.000 1.469 525 E HN 0.527 nan 8.360 nan 0.000 0.444 526 L N -0.295 120.768 121.223 -0.266 0.000 2.217 526 L HA 0.022 4.368 4.340 0.010 0.000 0.211 526 L C 1.116 177.793 176.870 -0.322 0.000 1.107 526 L CA 0.777 55.349 54.840 -0.447 0.000 0.783 526 L CB -0.201 41.236 42.059 -1.036 0.000 0.919 526 L HN 0.102 nan 8.230 nan 0.000 0.442 527 R N -0.633 119.738 120.500 -0.214 0.000 3.184 527 R HA -0.231 4.116 4.340 0.010 0.000 0.242 527 R C 0.745 177.106 176.300 0.101 0.000 0.907 527 R CA 0.234 56.302 56.100 -0.053 0.000 0.618 527 R CB -2.169 28.125 30.300 -0.010 0.000 1.016 527 R HN 0.336 nan 8.270 nan 0.000 0.469 528 F N -0.023 119.925 119.950 -0.004 0.000 2.451 528 F HA -0.151 4.382 4.527 0.011 0.000 0.299 528 F C 1.969 177.767 175.800 -0.003 0.000 1.101 528 F CA 0.405 58.403 58.000 -0.003 0.000 1.436 528 F CB 0.165 39.163 39.000 -0.003 0.000 1.074 528 F HN 0.238 nan 8.300 nan 0.000 0.553 529 E N 0.261 120.566 120.200 0.176 0.000 2.268 529 E HA -0.205 4.151 4.350 0.010 0.000 0.195 529 E C 1.767 178.411 176.600 0.074 0.000 0.995 529 E CA 0.925 57.382 56.400 0.096 0.000 0.836 529 E CB -0.070 29.665 29.700 0.057 0.000 0.763 529 E HN 0.523 nan 8.360 nan 0.000 0.491 530 E N 0.070 120.323 120.200 0.088 0.000 2.207 530 E HA 0.044 4.400 4.350 0.010 0.000 0.197 530 E C 1.825 178.468 176.600 0.072 0.000 0.914 530 E CA -0.104 56.335 56.400 0.065 0.000 0.914 530 E CB 0.139 29.871 29.700 0.053 0.000 0.893 530 E HN 0.002 nan 8.360 nan 0.000 0.479 531 R N 0.339 120.909 120.500 0.116 0.000 2.120 531 R HA 0.014 4.360 4.340 0.010 0.000 0.234 531 R C 0.763 177.088 176.300 0.041 0.000 1.123 531 R CA 0.697 56.861 56.100 0.107 0.000 0.975 531 R CB -0.166 30.255 30.300 0.201 0.000 0.866 531 R HN 0.191 nan 8.270 nan 0.000 0.446 532 L N 0.978 122.212 121.223 0.019 0.000 2.352 532 L HA 0.330 4.676 4.340 0.010 0.000 0.269 532 L C 0.515 177.367 176.870 -0.031 0.000 1.034 532 L CA -0.945 53.854 54.840 -0.068 0.000 0.806 532 L CB 0.977 42.922 42.059 -0.189 0.000 1.244 532 L HN -0.059 nan 8.230 nan 0.000 0.447 533 L N 0.000 121.197 121.223 -0.043 0.000 2.949 533 L HA 0.000 4.346 4.340 0.010 0.000 0.249 533 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 533 L CB 0.000 42.042 42.059 -0.029 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502