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 2vr0_1_D DATA FIRST_RESID 26 DATA SEQUENCE GCSDVSTELK TPVYKTKLTA EEIRNSAFKP EFPKQYASYE RNDETTVMTE DATA SEQUENCE YKGSVPFNKN DNVNPLPEGY RHAQPYLKNL WLGYPFMYEY REARGHTYAI DATA SEQUENCE QDFLHIDRIN RYAEKGGLPA TCWNCKTPKM MEWVKESGDG FWAKDVNEFR DATA SEQUENCE DKIDMKDHTI GCATCHDPQT MELRITSVPL TDYLVSQGKD PKKLPRNEMR DATA SEQUENCE ALVCGQCHVE YYFNGPTMGV NKKPVFPWAE GFDPADMYRY YDKHGDLQVK DATA SEQUENCE GFEGKFADWT HPASKTPMIK AQHPEYETWI NGTHGAAGVT CADCHMSYTR DATA SEQUENCE SDDKKKISSH WWTSPMKDPE MRACRQCHSD KTPDYLKSRV LFTQKRTFDL DATA SEQUENCE LLAAQEVSVK AHEAVRLANE YQGAKAAGYD DLMIQAREMV RKGQFFWDYV DATA SEQUENCE SAENSVGFHN PAKALDTLAQ SQQFSQKAID LAMEATQYGI GKDLSGDIKT DATA SEQUENCE IVPPILKMNR KLQQDPEFMK THKWFQYLPV LPKADQVWDG QKRL 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 26 G C 0.000 174.901 174.900 0.001 0.000 0.946 26 G CA 0.000 45.101 45.100 0.001 0.000 0.502 27 C N -0.353 118.948 119.300 0.001 0.000 2.801 27 C HA 0.546 5.006 4.460 0.001 0.000 0.376 27 C C 1.825 176.815 174.990 0.001 0.000 1.323 27 C CA 0.461 59.479 59.018 0.001 0.000 2.170 27 C CB 0.993 28.733 27.740 0.000 0.000 2.650 27 C HN 0.851 nan 8.230 nan 0.000 0.736 28 S N 0.038 115.738 115.700 0.001 0.000 2.603 28 S HA 0.168 4.639 4.470 0.001 0.000 0.268 28 S C 0.466 175.066 174.600 0.001 0.000 1.317 28 S CA -0.336 57.864 58.200 0.001 0.000 1.012 28 S CB 0.453 63.654 63.200 0.001 0.000 0.926 28 S HN 0.774 nan 8.310 nan 0.000 0.539 29 D N 1.055 121.456 120.400 0.001 0.000 2.398 29 D HA 0.112 4.752 4.640 0.001 0.000 0.210 29 D C 0.080 176.380 176.300 0.000 0.000 1.094 29 D CA -0.098 53.902 54.000 0.001 0.000 0.839 29 D CB -0.005 40.795 40.800 0.001 0.000 0.963 29 D HN 0.232 nan 8.370 nan 0.000 0.506 30 V N 1.587 121.501 119.914 0.000 0.000 1.956 30 V HA 0.023 4.143 4.120 0.001 0.000 0.248 30 V C 1.001 177.094 176.094 -0.001 0.000 1.615 30 V CA 0.331 62.630 62.300 -0.000 0.000 1.558 30 V CB -0.407 31.416 31.823 0.000 0.000 1.529 30 V HN 0.159 nan 8.190 nan 0.000 0.505 31 S N 0.908 116.608 115.700 -0.001 0.000 2.562 31 S HA 0.001 4.472 4.470 0.001 0.000 0.221 31 S C 1.011 175.609 174.600 -0.003 0.000 0.975 31 S CA 0.288 58.487 58.200 -0.002 0.000 0.918 31 S CB 0.083 63.282 63.200 -0.002 0.000 0.772 31 S HN 0.723 nan 8.310 nan 0.000 0.531 32 T N 2.936 117.488 114.554 -0.003 0.000 2.772 32 T HA 0.349 4.700 4.350 0.001 0.000 0.288 32 T C -0.481 174.216 174.700 -0.005 0.000 0.994 32 T CA -0.494 61.603 62.100 -0.005 0.000 0.951 32 T CB 1.390 70.255 68.868 -0.005 0.000 0.933 32 T HN 0.182 nan 8.240 nan 0.000 0.447 33 E N 2.090 122.286 120.200 -0.006 0.000 2.216 33 E HA 0.342 4.693 4.350 0.001 0.000 0.279 33 E C -0.298 176.297 176.600 -0.009 0.000 0.997 33 E CA -0.706 55.690 56.400 -0.006 0.000 0.817 33 E CB 1.544 31.241 29.700 -0.005 0.000 1.096 33 E HN 0.459 nan 8.360 nan 0.000 0.393 34 L N 3.578 124.796 121.223 -0.008 0.000 2.513 34 L HA 0.098 4.439 4.340 0.001 0.000 0.272 34 L C -0.320 176.543 176.870 -0.011 0.000 1.187 34 L CA 0.842 55.675 54.840 -0.011 0.000 0.895 34 L CB 0.075 42.129 42.059 -0.009 0.000 1.147 34 L HN 0.460 nan 8.230 nan 0.000 0.483 35 K N 2.661 123.051 120.400 -0.017 0.000 2.426 35 K HA 0.344 4.665 4.320 0.001 0.000 0.251 35 K C -0.750 175.834 176.600 -0.026 0.000 0.941 35 K CA -0.790 55.486 56.287 -0.020 0.000 0.808 35 K CB 2.257 34.742 32.500 -0.026 0.000 1.265 35 K HN 0.440 nan 8.250 nan 0.000 0.432 36 T N 3.965 118.506 114.554 -0.021 0.000 2.834 36 T HA 0.143 4.494 4.350 0.001 0.000 0.298 36 T C -2.271 172.387 174.700 -0.070 0.000 0.966 36 T CA -0.902 61.186 62.100 -0.021 0.000 1.141 36 T CB 0.214 69.085 68.868 0.004 0.000 0.905 36 T HN 0.239 nan 8.240 nan 0.000 0.535 37 P HA 0.241 nan 4.420 nan 0.000 0.267 37 P C -0.995 176.057 177.300 -0.414 0.000 1.205 37 P CA -0.295 62.623 63.100 -0.304 0.000 0.765 37 P CB 0.428 31.915 31.700 -0.355 0.000 0.828 38 V N 4.575 124.231 119.914 -0.429 0.000 2.459 38 V HA 0.371 4.492 4.120 0.001 0.000 0.295 38 V C -0.574 175.294 176.094 -0.377 0.000 1.029 38 V CA -0.507 61.624 62.300 -0.282 0.000 0.874 38 V CB 0.878 32.636 31.823 -0.107 0.000 0.985 38 V HN 0.409 nan 8.190 nan 0.000 0.438 39 Y N 2.967 123.331 120.300 0.106 0.000 2.429 39 Y HA 0.750 5.300 4.550 0.001 0.000 0.342 39 Y C 0.080 176.049 175.900 0.115 0.000 1.004 39 Y CA -0.983 57.204 58.100 0.145 0.000 1.075 39 Y CB 2.022 40.620 38.460 0.229 0.000 1.214 39 Y HN 0.471 nan 8.280 nan 0.000 0.455 40 K N 2.152 122.705 120.400 0.255 0.000 2.640 40 K HA 0.337 4.657 4.320 0.001 0.000 0.245 40 K C -0.847 175.827 176.600 0.123 0.000 0.962 40 K CA -0.466 55.914 56.287 0.156 0.000 0.896 40 K CB 0.623 33.175 32.500 0.085 0.000 1.147 40 K HN 0.728 nan 8.250 nan 0.000 0.445 41 T N 0.520 115.148 114.554 0.124 0.000 2.847 41 T HA 0.341 4.692 4.350 0.001 0.000 0.279 41 T C 0.710 175.404 174.700 -0.010 0.000 0.984 41 T CA -0.675 61.457 62.100 0.053 0.000 0.988 41 T CB 0.900 69.814 68.868 0.077 0.000 1.040 41 T HN 0.378 nan 8.240 nan 0.000 0.528 42 K N 0.273 120.638 120.400 -0.059 0.000 2.487 42 K HA 0.250 4.571 4.320 0.001 0.000 0.192 42 K C 0.444 176.995 176.600 -0.082 0.000 1.027 42 K CA 0.055 56.302 56.287 -0.067 0.000 1.054 42 K CB -0.426 32.023 32.500 -0.084 0.000 0.824 42 K HN 0.567 nan 8.250 nan 0.000 0.510 43 L N 1.635 122.796 121.223 -0.103 0.000 2.399 43 L HA 0.126 4.467 4.340 0.001 0.000 0.266 43 L C 1.077 177.894 176.870 -0.088 0.000 1.114 43 L CA -0.538 54.218 54.840 -0.141 0.000 0.804 43 L CB 0.736 42.634 42.059 -0.269 0.000 1.146 43 L HN 0.026 nan 8.230 nan 0.000 0.451 44 T N -1.168 113.337 114.554 -0.082 0.000 2.868 44 T HA 0.282 4.633 4.350 0.001 0.000 0.292 44 T C 1.133 175.811 174.700 -0.037 0.000 1.028 44 T CA -0.161 61.909 62.100 -0.050 0.000 1.059 44 T CB 1.473 70.314 68.868 -0.044 0.000 0.991 44 T HN 0.675 nan 8.240 nan 0.000 0.531 45 A N 1.237 124.045 122.820 -0.020 0.000 2.125 45 A HA -0.032 4.289 4.320 0.001 0.000 0.219 45 A C 1.918 179.499 177.584 -0.005 0.000 1.156 45 A CA 1.211 53.245 52.037 -0.005 0.000 0.671 45 A CB -0.522 18.477 19.000 -0.002 0.000 0.794 45 A HN 0.944 nan 8.150 nan 0.000 0.459 46 E N -0.206 119.984 120.200 -0.017 0.000 2.583 46 E HA 0.131 4.482 4.350 0.001 0.000 0.213 46 E C -0.153 176.437 176.600 -0.016 0.000 0.989 46 E CA -0.393 55.994 56.400 -0.022 0.000 0.991 46 E CB -0.249 29.427 29.700 -0.040 0.000 1.040 46 E HN 0.458 nan 8.360 nan 0.000 0.481 47 E N 1.967 122.160 120.200 -0.012 0.000 2.608 47 E HA -0.086 4.265 4.350 0.001 0.000 0.259 47 E C 0.770 177.426 176.600 0.093 0.000 0.951 47 E CA 0.315 56.714 56.400 -0.002 0.000 0.945 47 E CB 0.333 29.973 29.700 -0.099 0.000 0.916 47 E HN 0.484 nan 8.360 nan 0.000 0.477 48 I N 0.635 121.272 120.570 0.112 0.000 4.592 48 I HA 0.300 4.471 4.170 0.001 0.000 0.329 48 I C 0.211 176.478 176.117 0.250 0.000 1.309 48 I CA -0.571 60.823 61.300 0.156 0.000 1.243 48 I CB 0.337 38.342 38.000 0.007 0.000 1.241 48 I HN 0.086 nan 8.210 nan 0.000 0.434 49 R N 3.007 123.642 120.500 0.225 0.000 2.421 49 R HA 0.182 4.522 4.340 0.001 0.000 0.305 49 R C 0.591 177.058 176.300 0.279 0.000 1.039 49 R CA -0.186 56.017 56.100 0.170 0.000 1.003 49 R CB 0.146 30.488 30.300 0.069 0.000 0.959 49 R HN 0.282 nan 8.270 nan 0.000 0.427 50 N N 1.329 120.167 118.700 0.230 0.000 2.061 50 N HA -0.191 4.550 4.740 0.001 0.000 0.193 50 N C 1.555 177.311 175.510 0.410 0.000 1.030 50 N CA 2.099 55.341 53.050 0.319 0.000 0.856 50 N CB -0.219 38.422 38.487 0.257 0.000 1.023 50 N HN 0.587 nan 8.380 nan 0.000 0.424 51 S N 0.134 115.964 115.700 0.218 0.000 2.500 51 S HA 0.076 4.547 4.470 0.001 0.000 0.239 51 S C 1.872 176.469 174.600 -0.006 0.000 0.989 51 S CA 0.779 59.011 58.200 0.054 0.000 0.951 51 S CB -0.129 63.079 63.200 0.013 0.000 0.759 51 S HN 0.360 nan 8.310 nan 0.000 0.523 52 A N 0.346 123.196 122.820 0.051 0.000 2.119 52 A HA 0.361 4.682 4.320 0.001 0.000 0.216 52 A C 1.566 179.073 177.584 -0.129 0.000 1.152 52 A CA 0.353 52.343 52.037 -0.079 0.000 0.708 52 A CB -0.690 18.224 19.000 -0.142 0.000 0.805 52 A HN 0.541 nan 8.150 nan 0.000 0.460 53 F N -0.083 119.875 119.950 0.013 0.000 2.416 53 F HA 0.085 4.613 4.527 0.001 0.000 0.296 53 F C 2.147 177.972 175.800 0.042 0.000 1.099 53 F CA 1.128 59.183 58.000 0.091 0.000 1.427 53 F CB 0.092 39.169 39.000 0.128 0.000 1.079 53 F HN 0.112 nan 8.300 nan 0.000 0.536 54 K N 0.823 121.190 120.400 -0.055 0.000 2.032 54 K HA -0.178 4.143 4.320 0.001 0.000 0.209 54 K C -0.802 175.692 176.600 -0.176 0.000 1.048 54 K CA 1.699 57.751 56.287 -0.392 0.000 0.927 54 K CB -1.231 30.748 32.500 -0.867 0.000 0.712 54 K HN 0.143 nan 8.250 nan 0.000 0.441 55 P HA -0.118 nan 4.420 nan 0.000 0.220 55 P C 0.318 177.501 177.300 -0.195 0.000 1.148 55 P CA 1.261 64.269 63.100 -0.153 0.000 0.803 55 P CB 0.055 31.669 31.700 -0.144 0.000 0.782 56 E N -1.900 118.137 120.200 -0.272 0.000 2.415 56 E HA 0.099 4.450 4.350 0.001 0.000 0.197 56 E C -0.096 175.932 176.600 -0.953 0.000 1.007 56 E CA 0.500 56.523 56.400 -0.628 0.000 0.890 56 E CB 0.149 29.358 29.700 -0.820 0.000 0.891 56 E HN 0.344 nan 8.360 nan 0.000 0.496 57 F N 1.002 120.940 119.950 -0.021 0.000 2.708 57 F HA 0.242 4.770 4.527 0.001 0.000 0.344 57 F C -2.003 173.809 175.800 0.019 0.000 1.447 57 F CA -1.694 56.295 58.000 -0.019 0.000 1.140 57 F CB 1.534 40.495 39.000 -0.064 0.000 1.657 57 F HN -0.130 nan 8.300 nan 0.000 0.598 58 P HA -0.067 nan 4.420 nan 0.000 0.229 58 P C 0.996 178.372 177.300 0.126 0.000 1.160 58 P CA 1.135 64.291 63.100 0.093 0.000 0.777 58 P CB 0.426 32.136 31.700 0.015 0.000 0.814 59 K N -0.118 120.349 120.400 0.111 0.000 2.044 59 K HA -0.068 4.252 4.320 0.001 0.000 0.204 59 K C 2.354 178.993 176.600 0.065 0.000 1.049 59 K CA 1.147 57.484 56.287 0.083 0.000 0.945 59 K CB -0.261 32.288 32.500 0.081 0.000 0.724 59 K HN -0.018 nan 8.250 nan 0.000 0.440 60 Q N -0.272 119.550 119.800 0.037 0.000 2.167 60 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 60 Q C 1.695 177.629 176.000 -0.110 0.000 0.970 60 Q CA 1.356 57.074 55.803 -0.141 0.000 0.855 60 Q CB -0.235 28.269 28.738 -0.390 0.000 0.911 60 Q HN 0.331 nan 8.270 nan 0.000 0.438 61 Y N 0.298 120.567 120.300 -0.052 0.000 2.133 61 Y HA -0.224 4.327 4.550 0.001 0.000 0.287 61 Y C 2.199 178.140 175.900 0.068 0.000 1.134 61 Y CA 1.415 59.542 58.100 0.044 0.000 1.133 61 Y CB -0.422 38.081 38.460 0.071 0.000 0.987 61 Y HN 0.135 nan 8.280 nan 0.000 0.502 62 A N -1.094 121.847 122.820 0.202 0.000 1.948 62 A HA -0.296 4.025 4.320 0.001 0.000 0.220 62 A C 2.449 180.005 177.584 -0.047 0.000 1.177 62 A CA 2.273 54.354 52.037 0.074 0.000 0.636 62 A CB -1.377 17.652 19.000 0.048 0.000 0.815 62 A HN 0.506 nan 8.150 nan 0.000 0.449 63 S N -2.081 113.593 115.700 -0.043 0.000 2.383 63 S HA -0.178 4.293 4.470 0.001 0.000 0.227 63 S C 1.910 176.429 174.600 -0.134 0.000 1.026 63 S CA 1.439 59.591 58.200 -0.081 0.000 0.981 63 S CB -0.553 62.646 63.200 -0.002 0.000 0.818 63 S HN 0.707 nan 8.310 nan 0.000 0.472 64 Y N 1.993 122.124 120.300 -0.282 0.000 2.224 64 Y HA -0.013 4.538 4.550 0.001 0.000 0.289 64 Y C 1.979 177.703 175.900 -0.293 0.000 1.146 64 Y CA 2.118 60.008 58.100 -0.350 0.000 1.182 64 Y CB -0.580 37.596 38.460 -0.472 0.000 0.983 64 Y HN 0.379 nan 8.280 nan 0.000 0.524 65 E N -0.117 119.817 120.200 -0.444 0.000 2.338 65 E HA -0.151 4.200 4.350 0.001 0.000 0.197 65 E C 1.993 178.356 176.600 -0.395 0.000 1.007 65 E CA 0.529 56.668 56.400 -0.436 0.000 0.849 65 E CB -0.039 29.543 29.700 -0.198 0.000 0.774 65 E HN 0.555 nan 8.360 nan 0.000 0.506 66 R N 0.674 120.904 120.500 -0.449 0.000 2.193 66 R HA -0.040 4.301 4.340 0.001 0.000 0.229 66 R C 1.563 177.547 176.300 -0.528 0.000 1.110 66 R CA 0.608 56.297 56.100 -0.684 0.000 0.988 66 R CB -0.187 29.406 30.300 -1.178 0.000 0.871 66 R HN 0.129 nan 8.270 nan 0.000 0.458 67 N N 1.135 119.682 118.700 -0.256 0.000 2.519 67 N HA -0.125 4.616 4.740 0.001 0.000 0.186 67 N C 0.623 176.107 175.510 -0.043 0.000 1.062 67 N CA 0.965 54.031 53.050 0.027 0.000 0.910 67 N CB -0.068 38.435 38.487 0.027 0.000 0.958 67 N HN 0.231 nan 8.380 nan 0.000 0.445 68 D N 0.855 121.138 120.400 -0.196 0.000 2.312 68 D HA -0.087 4.554 4.640 0.001 0.000 0.211 68 D C 0.720 177.107 176.300 0.146 0.000 0.964 68 D CA 0.472 54.379 54.000 -0.155 0.000 0.877 68 D CB 0.017 40.697 40.800 -0.200 0.000 0.924 68 D HN 0.254 nan 8.370 nan 0.000 0.515 69 E N 0.833 121.086 120.200 0.088 0.000 2.417 69 E HA -0.045 4.306 4.350 0.001 0.000 0.261 69 E C -0.153 176.579 176.600 0.221 0.000 1.000 69 E CA 0.686 57.164 56.400 0.131 0.000 0.919 69 E CB 0.738 30.490 29.700 0.088 0.000 0.955 69 E HN -0.135 nan 8.360 nan 0.000 0.455 70 T N 2.664 117.312 114.554 0.156 0.000 3.460 70 T HA 0.107 4.458 4.350 0.001 0.000 0.304 70 T C 0.649 175.378 174.700 0.049 0.000 0.991 70 T CA 0.446 62.606 62.100 0.100 0.000 0.975 70 T CB -0.046 68.825 68.868 0.006 0.000 1.196 70 T HN 0.535 nan 8.240 nan 0.000 0.490 71 T N -1.915 112.676 114.554 0.062 0.000 3.003 71 T HA 0.400 4.751 4.350 0.001 0.000 0.261 71 T C 0.360 175.079 174.700 0.031 0.000 1.003 71 T CA -0.084 62.037 62.100 0.036 0.000 0.917 71 T CB 0.401 69.288 68.868 0.031 0.000 1.084 71 T HN 0.090 nan 8.240 nan 0.000 0.522 72 V N 3.945 123.891 119.914 0.055 0.000 2.370 72 V HA 0.508 4.629 4.120 0.001 0.000 0.279 72 V C -0.297 175.801 176.094 0.007 0.000 1.029 72 V CA -0.660 61.666 62.300 0.044 0.000 0.870 72 V CB 1.159 33.036 31.823 0.090 0.000 0.984 72 V HN 0.449 nan 8.190 nan 0.000 0.451 73 M N 4.426 124.007 119.600 -0.031 0.000 2.300 73 M HA 0.378 4.859 4.480 0.001 0.000 0.348 73 M C 0.679 176.960 176.300 -0.032 0.000 1.151 73 M CA -0.234 55.017 55.300 -0.081 0.000 1.046 73 M CB 1.512 33.995 32.600 -0.195 0.000 1.647 73 M HN 0.847 nan 8.290 nan 0.000 0.451 74 T N -0.482 114.056 114.554 -0.027 0.000 3.560 74 T HA 0.187 4.537 4.350 0.001 0.000 0.350 74 T C 1.085 175.801 174.700 0.026 0.000 1.264 74 T CA 0.132 62.228 62.100 -0.005 0.000 0.924 74 T CB 0.618 69.478 68.868 -0.013 0.000 1.997 74 T HN 0.618 nan 8.240 nan 0.000 0.553 75 E N -0.510 119.713 120.200 0.038 0.000 2.042 75 E HA 0.065 4.415 4.350 0.001 0.000 0.189 75 E C 1.570 178.124 176.600 -0.077 0.000 0.974 75 E CA 1.163 57.564 56.400 0.001 0.000 0.806 75 E CB -0.379 29.319 29.700 -0.003 0.000 0.769 75 E HN 0.742 nan 8.360 nan 0.000 0.451 76 Y N -0.537 119.771 120.300 0.013 0.000 2.462 76 Y HA 0.327 4.878 4.550 0.001 0.000 0.253 76 Y C 0.735 176.675 175.900 0.067 0.000 1.095 76 Y CA -0.171 57.917 58.100 -0.021 0.000 1.283 76 Y CB 0.690 39.044 38.460 -0.177 0.000 1.138 76 Y HN -0.180 nan 8.280 nan 0.000 0.522 77 K N -0.449 120.043 120.400 0.153 0.000 2.158 77 K HA 0.828 5.149 4.320 0.001 0.000 0.243 77 K C 0.125 176.734 176.600 0.015 0.000 1.079 77 K CA -0.081 56.267 56.287 0.103 0.000 0.920 77 K CB 0.914 33.469 32.500 0.091 0.000 1.400 77 K HN 0.125 nan 8.250 nan 0.000 0.561 78 G N -0.503 108.308 108.800 0.018 0.000 2.359 78 G HA2 -0.029 3.932 3.960 0.001 0.000 0.303 78 G HA3 -0.029 3.932 3.960 0.001 0.000 0.303 78 G C -0.786 174.132 174.900 0.031 0.000 1.293 78 G CA -0.351 44.747 45.100 -0.004 0.000 0.964 78 G HN 0.244 nan 8.290 nan 0.000 0.531 79 S N -0.655 115.070 115.700 0.040 0.000 2.663 79 S HA 0.378 4.848 4.470 0.001 0.000 0.243 79 S C 0.293 174.919 174.600 0.043 0.000 1.009 79 S CA 0.075 58.317 58.200 0.069 0.000 0.988 79 S CB 0.820 64.096 63.200 0.128 0.000 0.896 79 S HN 0.904 nan 8.310 nan 0.000 0.502 80 V N 4.853 124.788 119.914 0.037 0.000 2.385 80 V HA 0.272 4.393 4.120 0.001 0.000 0.269 80 V C -2.146 174.002 176.094 0.090 0.000 1.043 80 V CA -1.887 60.440 62.300 0.044 0.000 0.906 80 V CB 0.681 32.521 31.823 0.028 0.000 0.995 80 V HN 0.129 nan 8.190 nan 0.000 0.467 81 P HA 0.116 nan 4.420 nan 0.000 0.226 81 P C -0.217 177.061 177.300 -0.036 0.000 1.783 81 P CA -0.231 62.829 63.100 -0.067 0.000 0.980 81 P CB -0.547 31.097 31.700 -0.094 0.000 1.967 82 F N -0.539 119.382 119.950 -0.050 0.000 2.406 82 F HA 0.371 4.899 4.527 0.001 0.000 0.327 82 F C 0.439 176.242 175.800 0.005 0.000 1.153 82 F CA -1.109 56.883 58.000 -0.013 0.000 1.218 82 F CB -0.037 38.959 39.000 -0.006 0.000 1.215 82 F HN -0.140 nan 8.300 nan 0.000 0.570 83 N N 2.823 121.583 118.700 0.100 0.000 2.431 83 N HA 0.015 4.755 4.740 0.001 0.000 0.265 83 N C 0.365 175.916 175.510 0.069 0.000 1.184 83 N CA -0.065 53.005 53.050 0.034 0.000 0.943 83 N CB 1.073 39.651 38.487 0.151 0.000 1.080 83 N HN 0.677 nan 8.380 nan 0.000 0.477 84 K N 1.168 121.475 120.400 -0.155 0.000 2.515 84 K HA -0.083 4.238 4.320 0.001 0.000 0.196 84 K C 1.176 177.949 176.600 0.289 0.000 1.038 84 K CA 0.555 56.844 56.287 0.004 0.000 0.967 84 K CB 0.098 32.488 32.500 -0.184 0.000 0.780 84 K HN 0.537 nan 8.250 nan 0.000 0.483 85 N N 0.439 119.302 118.700 0.273 0.000 2.280 85 N HA -0.086 4.655 4.740 0.001 0.000 0.192 85 N C -0.495 175.139 175.510 0.208 0.000 1.109 85 N CA 0.318 53.514 53.050 0.243 0.000 0.855 85 N CB 0.376 39.007 38.487 0.240 0.000 0.974 85 N HN -0.056 nan 8.380 nan 0.000 0.482 86 D N 1.714 122.269 120.400 0.258 0.000 2.473 86 D HA 0.077 4.718 4.640 0.001 0.000 0.226 86 D C -0.192 176.220 176.300 0.187 0.000 1.089 86 D CA -0.383 53.742 54.000 0.208 0.000 0.883 86 D CB 0.405 41.339 40.800 0.224 0.000 1.029 86 D HN 0.260 nan 8.370 nan 0.000 0.517 87 N N 3.051 121.815 118.700 0.106 0.000 2.279 87 N HA -0.004 4.737 4.740 0.001 0.000 0.226 87 N C 0.417 175.922 175.510 -0.010 0.000 1.126 87 N CA -0.191 52.881 53.050 0.036 0.000 0.846 87 N CB 0.607 39.110 38.487 0.027 0.000 1.050 87 N HN 0.156 nan 8.380 nan 0.000 0.502 88 V N -0.215 119.709 119.914 0.017 0.000 2.870 88 V HA 0.147 4.268 4.120 0.001 0.000 0.232 88 V C 0.540 176.635 176.094 0.002 0.000 1.161 88 V CA 0.281 62.583 62.300 0.003 0.000 1.204 88 V CB -0.314 31.521 31.823 0.019 0.000 1.003 88 V HN 0.272 nan 8.190 nan 0.000 0.499 89 N N 2.131 120.848 118.700 0.028 0.000 2.513 89 N HA 0.277 5.018 4.740 0.001 0.000 0.274 89 N C -2.498 173.022 175.510 0.016 0.000 1.189 89 N CA -1.018 52.048 53.050 0.027 0.000 0.975 89 N CB 0.505 39.022 38.487 0.050 0.000 1.157 89 N HN 0.242 nan 8.380 nan 0.000 0.465 90 P HA 0.147 nan 4.420 nan 0.000 0.277 90 P C 0.132 177.444 177.300 0.021 0.000 1.276 90 P CA -0.394 62.704 63.100 -0.003 0.000 0.788 90 P CB 0.743 32.438 31.700 -0.009 0.000 1.114 91 L N 1.247 122.481 121.223 0.018 0.000 2.514 91 L HA 0.044 4.385 4.340 0.001 0.000 0.280 91 L C -0.580 176.307 176.870 0.028 0.000 1.223 91 L CA -0.825 54.029 54.840 0.024 0.000 0.864 91 L CB -0.476 41.586 42.059 0.005 0.000 1.118 91 L HN 0.419 nan 8.230 nan 0.000 0.494 92 P HA -0.008 nan 4.420 nan 0.000 0.255 92 P C 0.765 178.134 177.300 0.115 0.000 1.248 92 P CA 0.281 63.419 63.100 0.064 0.000 0.807 92 P CB 0.370 32.096 31.700 0.042 0.000 1.150 93 E N 0.690 120.952 120.200 0.104 0.000 2.051 93 E HA 0.094 4.445 4.350 0.001 0.000 0.189 93 E C 0.970 177.696 176.600 0.210 0.000 0.979 93 E CA 0.903 57.383 56.400 0.132 0.000 0.803 93 E CB -0.164 29.592 29.700 0.093 0.000 0.761 93 E HN 0.218 nan 8.360 nan 0.000 0.451 94 G N -1.650 107.254 108.800 0.173 0.000 3.022 94 G HA2 0.481 4.442 3.960 0.001 0.000 0.284 94 G HA3 0.481 4.442 3.960 0.001 0.000 0.284 94 G C -1.903 172.998 174.900 0.001 0.000 1.375 94 G CA -0.528 44.692 45.100 0.199 0.000 0.902 94 G HN 0.205 nan 8.290 nan 0.000 0.538 95 Y N -0.892 119.219 120.300 -0.316 0.000 2.624 95 Y HA 0.346 4.897 4.550 0.001 0.000 0.334 95 Y C 1.736 177.432 175.900 -0.340 0.000 1.155 95 Y CA -0.969 56.810 58.100 -0.536 0.000 1.046 95 Y CB 1.578 39.269 38.460 -1.281 0.000 1.316 95 Y HN 0.626 nan 8.280 nan 0.000 0.457 96 R N 0.445 120.334 120.500 -1.019 0.000 2.152 96 R HA -0.072 4.269 4.340 0.001 0.000 0.232 96 R C -0.745 175.084 176.300 -0.785 0.000 1.117 96 R CA 1.528 57.113 56.100 -0.858 0.000 0.981 96 R CB -0.507 29.217 30.300 -0.960 0.000 0.870 96 R HN 0.611 nan 8.270 nan 0.000 0.451 97 H N 0.450 119.149 119.070 -0.619 0.000 2.700 97 H HA 0.581 5.138 4.556 0.001 0.000 0.269 97 H C -0.406 175.049 175.328 0.212 0.000 1.222 97 H CA -0.287 55.583 56.048 -0.296 0.000 1.254 97 H CB 1.357 30.679 29.762 -0.734 0.000 1.413 97 H HN 0.388 nan 8.280 nan 0.000 0.507 98 A N 2.467 125.588 122.820 0.501 0.000 2.483 98 A HA 0.550 4.871 4.320 0.001 0.000 0.286 98 A C -0.991 176.879 177.584 0.477 0.000 1.207 98 A CA -1.021 51.355 52.037 0.566 0.000 0.764 98 A CB 1.502 20.753 19.000 0.418 0.000 1.341 98 A HN 0.640 nan 8.150 nan 0.000 0.428 99 Q N 0.310 120.303 119.800 0.321 0.000 2.413 99 Q HA 0.347 4.688 4.340 0.001 0.000 0.258 99 Q C -2.204 173.838 176.000 0.071 0.000 1.037 99 Q CA -1.743 54.136 55.803 0.127 0.000 0.764 99 Q CB 1.943 30.737 28.738 0.093 0.000 1.217 99 Q HN 0.429 nan 8.270 nan 0.000 0.490 100 P HA -0.158 nan 4.420 nan 0.000 0.223 100 P C 0.084 177.326 177.300 -0.098 0.000 1.151 100 P CA 1.089 64.138 63.100 -0.085 0.000 0.787 100 P CB 0.187 31.747 31.700 -0.232 0.000 0.788 101 Y N -0.984 119.259 120.300 -0.094 0.000 2.461 101 Y HA 0.127 4.678 4.550 0.001 0.000 0.277 101 Y C 2.014 177.810 175.900 -0.174 0.000 1.182 101 Y CA -0.441 57.573 58.100 -0.143 0.000 1.276 101 Y CB -0.293 38.041 38.460 -0.211 0.000 1.087 101 Y HN -0.160 nan 8.280 nan 0.000 0.519 102 L N -0.101 121.111 121.223 -0.018 0.000 1.994 102 L HA -0.282 4.059 4.340 0.001 0.000 0.208 102 L C 2.197 179.003 176.870 -0.106 0.000 1.071 102 L CA 1.633 56.317 54.840 -0.260 0.000 0.745 102 L CB -0.410 41.573 42.059 -0.125 0.000 0.892 102 L HN 0.195 nan 8.230 nan 0.000 0.431 103 K N 0.094 120.586 120.400 0.153 0.000 2.063 103 K HA -0.184 4.137 4.320 0.001 0.000 0.208 103 K C 1.816 178.564 176.600 0.247 0.000 1.048 103 K CA 1.851 58.289 56.287 0.251 0.000 0.928 103 K CB -0.347 32.302 32.500 0.248 0.000 0.713 103 K HN 0.346 nan 8.250 nan 0.000 0.442 104 N N 1.150 119.978 118.700 0.213 0.000 2.069 104 N HA -0.155 4.585 4.740 0.001 0.000 0.191 104 N C 1.736 177.514 175.510 0.447 0.000 1.031 104 N CA 1.132 54.371 53.050 0.315 0.000 0.852 104 N CB -0.314 38.232 38.487 0.098 0.000 1.018 104 N HN 0.076 nan 8.380 nan 0.000 0.423 105 L N -1.175 120.179 121.223 0.218 0.000 2.217 105 L HA -0.033 4.308 4.340 0.001 0.000 0.211 105 L C 0.732 177.865 176.870 0.437 0.000 1.107 105 L CA 0.564 55.541 54.840 0.228 0.000 0.783 105 L CB -0.094 42.029 42.059 0.106 0.000 0.919 105 L HN 0.340 nan 8.230 nan 0.000 0.442 106 W N 0.020 121.556 121.300 0.393 0.000 2.937 106 W HA 0.311 4.972 4.660 0.001 0.000 0.435 106 W C 0.043 176.590 176.519 0.046 0.000 0.912 106 W CA -1.647 55.829 57.345 0.217 0.000 2.209 106 W CB -0.627 28.904 29.460 0.118 0.000 1.144 106 W HN -0.075 nan 8.180 nan 0.000 0.762 107 L N 1.620 122.997 121.223 0.256 0.000 2.601 107 L HA 0.258 4.599 4.340 0.001 0.000 0.277 107 L C 1.460 178.317 176.870 -0.022 0.000 1.219 107 L CA 2.212 57.072 54.840 0.033 0.000 0.915 107 L CB 0.322 42.269 42.059 -0.188 0.000 1.160 107 L HN 0.508 nan 8.230 nan 0.000 0.494 108 G N 2.573 111.342 108.800 -0.051 0.000 2.184 108 G HA2 -0.347 3.613 3.960 0.001 0.000 0.264 108 G HA3 -0.347 3.613 3.960 0.001 0.000 0.264 108 G C -0.229 174.588 174.900 -0.138 0.000 0.975 108 G CA 0.381 45.468 45.100 -0.023 0.000 0.642 108 G HN 0.788 nan 8.290 nan 0.000 0.536 109 Y N 0.402 120.362 120.300 -0.567 0.000 2.393 109 Y HA 0.594 5.145 4.550 0.001 0.000 0.341 109 Y C -1.593 174.036 175.900 -0.452 0.000 0.988 109 Y CA -2.157 55.474 58.100 -0.781 0.000 1.078 109 Y CB 2.033 39.381 38.460 -1.853 0.000 1.203 109 Y HN -0.054 nan 8.280 nan 0.000 0.453 110 P HA -0.238 nan 4.420 nan 0.000 0.218 110 P C 0.975 178.101 177.300 -0.290 0.000 1.147 110 P CA 1.775 64.650 63.100 -0.375 0.000 0.827 110 P CB -0.066 31.380 31.700 -0.423 0.000 0.778 111 F N -1.049 118.608 119.950 -0.488 0.000 2.699 111 F HA -0.029 4.499 4.527 0.001 0.000 0.298 111 F C 2.089 177.907 175.800 0.031 0.000 1.154 111 F CA 0.813 58.648 58.000 -0.275 0.000 1.457 111 F CB -0.974 37.603 39.000 -0.704 0.000 1.106 111 F HN -0.019 nan 8.300 nan 0.000 0.585 112 M N -2.726 116.889 119.600 0.025 0.000 2.558 112 M HA -0.027 4.454 4.480 0.001 0.000 0.255 112 M C 1.007 177.284 176.300 -0.038 0.000 1.113 112 M CA 1.491 56.819 55.300 0.048 0.000 1.097 112 M CB -0.674 31.886 32.600 -0.067 0.000 1.426 112 M HN 0.116 nan 8.290 nan 0.000 0.488 113 Y N 0.781 121.138 120.300 0.094 0.000 2.262 113 Y HA 0.300 4.851 4.550 0.001 0.000 0.295 113 Y C 0.673 176.611 175.900 0.063 0.000 1.121 113 Y CA 0.265 58.393 58.100 0.047 0.000 1.144 113 Y CB 0.453 38.898 38.460 -0.025 0.000 1.043 113 Y HN 0.321 nan 8.280 nan 0.000 0.528 114 E N -1.013 119.303 120.200 0.193 0.000 2.381 114 E HA 0.205 4.556 4.350 0.001 0.000 0.286 114 E C -2.270 174.420 176.600 0.151 0.000 0.960 114 E CA -0.693 55.798 56.400 0.151 0.000 0.793 114 E CB 1.777 31.529 29.700 0.086 0.000 1.225 114 E HN -0.011 nan 8.360 nan 0.000 0.420 115 Y N 4.525 124.860 120.300 0.058 0.000 2.274 115 Y HA 0.367 4.918 4.550 0.001 0.000 0.323 115 Y C -1.757 174.189 175.900 0.077 0.000 1.171 115 Y CA -0.609 57.535 58.100 0.073 0.000 1.163 115 Y CB 0.574 39.214 38.460 0.301 0.000 1.183 115 Y HN 0.563 nan 8.280 nan 0.000 0.424 116 R N 2.258 122.619 120.500 -0.231 0.000 2.873 116 R HA 0.606 4.947 4.340 0.001 0.000 0.264 116 R C -0.694 175.320 176.300 -0.476 0.000 1.026 116 R CA -1.389 54.483 56.100 -0.380 0.000 1.002 116 R CB 1.403 31.585 30.300 -0.196 0.000 1.174 116 R HN 0.482 nan 8.270 nan 0.000 0.488 117 E N 1.351 121.193 120.200 -0.596 0.000 2.529 117 E HA 0.068 4.419 4.350 0.001 0.000 0.259 117 E C -0.694 175.810 176.600 -0.160 0.000 0.966 117 E CA 0.207 56.351 56.400 -0.428 0.000 0.937 117 E CB 0.578 29.968 29.700 -0.517 0.000 0.923 117 E HN 0.640 nan 8.360 nan 0.000 0.468 118 A N 5.377 128.173 122.820 -0.040 0.000 2.477 118 A HA 0.418 4.739 4.320 0.001 0.000 0.246 118 A C 0.238 177.862 177.584 0.068 0.000 1.078 118 A CA 0.240 52.311 52.037 0.056 0.000 0.770 118 A CB 0.107 19.181 19.000 0.124 0.000 1.011 118 A HN 0.778 nan 8.150 nan 0.000 0.494 119 R N 1.611 122.174 120.500 0.104 0.000 3.076 119 R HA 0.726 5.066 4.340 0.001 0.000 0.239 119 R C 0.450 176.888 176.300 0.230 0.000 1.392 119 R CA -0.330 55.858 56.100 0.147 0.000 1.044 119 R CB 0.196 30.560 30.300 0.106 0.000 1.389 119 R HN 0.815 nan 8.270 nan 0.000 0.498 120 G N -0.515 108.470 108.800 0.308 0.000 2.562 120 G HA2 -0.022 3.939 3.960 0.001 0.000 0.233 120 G HA3 -0.022 3.939 3.960 0.001 0.000 0.233 120 G C 0.081 175.148 174.900 0.280 0.000 1.266 120 G CA -0.166 45.089 45.100 0.257 0.000 0.852 120 G HN 0.768 nan 8.290 nan 0.000 0.581 121 H N 0.126 119.349 119.070 0.256 0.000 2.387 121 H HA -0.180 4.377 4.556 0.001 0.000 0.299 121 H C 2.817 178.213 175.328 0.114 0.000 1.099 121 H CA 1.624 57.786 56.048 0.190 0.000 1.315 121 H CB 0.209 30.126 29.762 0.258 0.000 1.380 121 H HN 0.640 nan 8.280 nan 0.000 0.513 122 T N -1.518 113.095 114.554 0.098 0.000 3.025 122 T HA -0.182 4.169 4.350 0.001 0.000 0.270 122 T C 1.048 175.644 174.700 -0.174 0.000 1.126 122 T CA 0.974 62.992 62.100 -0.136 0.000 1.105 122 T CB -0.292 68.298 68.868 -0.463 0.000 0.884 122 T HN 0.358 nan 8.240 nan 0.000 0.522 123 Y N 0.573 120.939 120.300 0.110 0.000 2.458 123 Y HA 0.670 5.221 4.550 0.001 0.000 0.256 123 Y C 2.484 178.447 175.900 0.106 0.000 1.159 123 Y CA -1.013 57.140 58.100 0.088 0.000 1.261 123 Y CB -0.561 37.940 38.460 0.067 0.000 1.119 123 Y HN 0.277 nan 8.280 nan 0.000 0.524 124 A N 0.736 123.698 122.820 0.236 0.000 1.884 124 A HA -0.230 4.091 4.320 0.001 0.000 0.219 124 A C 2.111 179.805 177.584 0.183 0.000 1.197 124 A CA 2.316 54.456 52.037 0.172 0.000 0.637 124 A CB -0.849 18.204 19.000 0.089 0.000 0.827 124 A HN 0.462 nan 8.150 nan 0.000 0.450 125 I N -1.389 119.298 120.570 0.195 0.000 2.406 125 I HA -0.192 3.979 4.170 0.001 0.000 0.249 125 I C 2.712 179.003 176.117 0.289 0.000 1.122 125 I CA 1.213 62.667 61.300 0.256 0.000 1.431 125 I CB -0.376 37.800 38.000 0.294 0.000 1.087 125 I HN 0.480 nan 8.210 nan 0.000 0.424 126 Q N 1.038 120.986 119.800 0.246 0.000 2.061 126 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 126 Q C 1.572 177.675 176.000 0.172 0.000 0.984 126 Q CA 2.012 57.936 55.803 0.201 0.000 0.846 126 Q CB 0.106 28.959 28.738 0.191 0.000 0.902 126 Q HN 0.450 nan 8.270 nan 0.000 0.421 127 D N -0.585 119.920 120.400 0.176 0.000 2.194 127 D HA -0.107 4.534 4.640 0.001 0.000 0.204 127 D C 1.501 177.894 176.300 0.155 0.000 0.964 127 D CA 0.460 54.541 54.000 0.136 0.000 0.846 127 D CB -0.265 40.602 40.800 0.112 0.000 0.962 127 D HN 0.213 nan 8.370 nan 0.000 0.490 128 F N 1.461 121.419 119.950 0.014 0.000 2.126 128 F HA -0.122 4.406 4.527 0.001 0.000 0.299 128 F C 1.908 177.653 175.800 -0.092 0.000 1.096 128 F CA 1.262 59.211 58.000 -0.085 0.000 1.255 128 F CB -0.126 38.776 39.000 -0.163 0.000 0.997 128 F HN -0.118 nan 8.300 nan 0.000 0.479 129 L N -1.198 120.078 121.223 0.089 0.000 2.591 129 L HA -0.030 4.311 4.340 0.001 0.000 0.228 129 L C 1.148 178.051 176.870 0.055 0.000 1.133 129 L CA 0.310 55.164 54.840 0.022 0.000 0.880 129 L CB -0.586 41.586 42.059 0.189 0.000 1.033 129 L HN 0.135 nan 8.230 nan 0.000 0.450 130 H N -0.955 118.086 119.070 -0.050 0.000 2.648 130 H HA 0.221 4.778 4.556 0.001 0.000 0.265 130 H C 0.297 175.577 175.328 -0.080 0.000 0.961 130 H CA -0.461 55.561 56.048 -0.044 0.000 1.185 130 H CB 0.602 30.361 29.762 -0.005 0.000 1.449 130 H HN 0.033 nan 8.280 nan 0.000 0.523 131 I N 0.923 121.460 120.570 -0.055 0.000 2.588 131 I HA -0.069 4.102 4.170 0.001 0.000 0.283 131 I C 1.159 177.189 176.117 -0.144 0.000 1.119 131 I CA 0.296 61.535 61.300 -0.102 0.000 1.419 131 I CB 0.892 38.794 38.000 -0.162 0.000 1.394 131 I HN 0.099 nan 8.210 nan 0.000 0.562 132 D N 4.671 125.021 120.400 -0.084 0.000 2.363 132 D HA -0.033 4.608 4.640 0.001 0.000 0.220 132 D C 1.821 178.047 176.300 -0.125 0.000 0.994 132 D CA 0.945 54.896 54.000 -0.082 0.000 0.890 132 D CB 0.291 41.089 40.800 -0.004 0.000 0.906 132 D HN 0.487 nan 8.370 nan 0.000 0.530 133 R N -0.147 120.274 120.500 -0.131 0.000 2.081 133 R HA -0.013 4.328 4.340 0.001 0.000 0.235 133 R C 0.615 176.805 176.300 -0.183 0.000 1.131 133 R CA 0.573 56.592 56.100 -0.135 0.000 0.960 133 R CB -0.273 29.858 30.300 -0.282 0.000 0.856 133 R HN 0.260 nan 8.270 nan 0.000 0.436 134 I N 2.570 122.981 120.570 -0.264 0.000 2.556 134 I HA -0.050 4.121 4.170 0.001 0.000 0.284 134 I C 0.442 176.434 176.117 -0.209 0.000 1.114 134 I CA -0.392 60.743 61.300 -0.274 0.000 1.418 134 I CB 0.307 38.049 38.000 -0.430 0.000 1.394 134 I HN 0.002 nan 8.210 nan 0.000 0.552 135 N N 5.818 124.429 118.700 -0.148 0.000 2.483 135 N HA 0.095 4.836 4.740 0.001 0.000 0.264 135 N C 0.166 175.647 175.510 -0.050 0.000 1.197 135 N CA 0.431 53.437 53.050 -0.073 0.000 0.927 135 N CB 0.534 39.005 38.487 -0.026 0.000 1.065 135 N HN 0.445 nan 8.380 nan 0.000 0.461 136 R N 2.795 123.256 120.500 -0.065 0.000 2.600 136 R HA 0.131 4.472 4.340 0.001 0.000 0.392 136 R C -0.293 175.782 176.300 -0.375 0.000 1.032 136 R CA 0.023 56.033 56.100 -0.150 0.000 1.139 136 R CB 0.431 30.539 30.300 -0.319 0.000 1.400 136 R HN 0.583 nan 8.270 nan 0.000 0.566 137 Y N -0.163 120.139 120.300 0.003 0.000 2.660 137 Y HA 0.524 5.075 4.550 0.001 0.000 0.254 137 Y C 0.489 176.379 175.900 -0.017 0.000 1.176 137 Y CA -0.487 57.596 58.100 -0.029 0.000 1.195 137 Y CB 1.233 39.653 38.460 -0.067 0.000 1.190 137 Y HN 0.031 nan 8.280 nan 0.000 0.535 138 A N -0.704 122.183 122.820 0.113 0.000 2.581 138 A HA 0.518 4.839 4.320 0.001 0.000 0.290 138 A C 0.394 178.059 177.584 0.135 0.000 1.119 138 A CA -0.539 51.548 52.037 0.083 0.000 0.670 138 A CB 0.979 20.023 19.000 0.074 0.000 1.280 138 A HN 0.018 nan 8.150 nan 0.000 0.425 139 E N 0.795 121.058 120.200 0.104 0.000 2.028 139 E HA -0.061 4.289 4.350 0.001 0.000 0.191 139 E C 0.213 176.958 176.600 0.241 0.000 0.988 139 E CA 1.438 57.959 56.400 0.201 0.000 0.799 139 E CB -0.035 29.719 29.700 0.090 0.000 0.755 139 E HN 0.450 nan 8.360 nan 0.000 0.447 140 K N 0.214 120.681 120.400 0.111 0.000 2.350 140 K HA 0.116 4.437 4.320 0.001 0.000 0.279 140 K C 1.043 177.663 176.600 0.033 0.000 1.027 140 K CA 0.571 56.890 56.287 0.053 0.000 0.969 140 K CB 1.186 33.701 32.500 0.025 0.000 0.954 140 K HN 0.293 nan 8.250 nan 0.000 0.474 141 G N 1.111 109.898 108.800 -0.022 0.000 2.511 141 G HA2 -0.033 3.928 3.960 0.001 0.000 0.217 141 G HA3 -0.033 3.928 3.960 0.001 0.000 0.217 141 G C 1.018 175.884 174.900 -0.057 0.000 1.133 141 G CA 0.650 45.705 45.100 -0.074 0.000 0.792 141 G HN 0.842 nan 8.290 nan 0.000 0.539 142 G N -1.014 107.768 108.800 -0.029 0.000 2.205 142 G HA2 -0.251 3.710 3.960 0.001 0.000 0.261 142 G HA3 -0.251 3.710 3.960 0.001 0.000 0.261 142 G C 0.264 175.159 174.900 -0.009 0.000 0.980 142 G CA 0.570 45.662 45.100 -0.013 0.000 0.632 142 G HN 0.541 nan 8.290 nan 0.000 0.533 143 L N 1.446 122.650 121.223 -0.032 0.000 2.341 143 L HA 0.573 4.913 4.340 0.001 0.000 0.267 143 L C -2.003 174.835 176.870 -0.053 0.000 1.009 143 L CA -2.577 52.250 54.840 -0.022 0.000 0.819 143 L CB 2.327 44.374 42.059 -0.019 0.000 1.323 143 L HN -0.111 nan 8.230 nan 0.000 0.425 144 P HA 0.071 nan 4.420 nan 0.000 0.274 144 P C 0.100 177.355 177.300 -0.076 0.000 1.231 144 P CA -0.336 62.672 63.100 -0.153 0.000 0.790 144 P CB 1.159 32.661 31.700 -0.331 0.000 0.951 145 A N 2.411 125.188 122.820 -0.072 0.000 2.139 145 A HA -0.149 4.172 4.320 0.001 0.000 0.221 145 A C 1.923 179.633 177.584 0.210 0.000 1.159 145 A CA 1.949 54.001 52.037 0.024 0.000 0.662 145 A CB -1.809 16.844 19.000 -0.579 0.000 0.796 145 A HN 0.603 nan 8.150 nan 0.000 0.463 146 T N -0.899 113.753 114.554 0.164 0.000 2.849 146 T HA -0.206 4.145 4.350 0.001 0.000 0.270 146 T C 1.705 176.583 174.700 0.298 0.000 1.066 146 T CA 1.399 63.729 62.100 0.383 0.000 1.130 146 T CB -0.812 68.096 68.868 0.068 0.000 0.864 146 T HN 0.628 nan 8.240 nan 0.000 0.481 147 C N 0.111 119.526 119.300 0.191 0.000 2.403 147 C HA -0.109 4.352 4.460 0.001 0.000 0.282 147 C C 2.191 177.216 174.990 0.058 0.000 1.297 147 C CA -0.055 59.091 59.018 0.212 0.000 1.785 147 C CB -1.597 26.287 27.740 0.241 0.000 1.963 147 C HN 0.734 nan 8.230 nan 0.000 0.507 148 W N 0.881 122.262 121.300 0.135 0.000 2.699 148 W HA -0.012 4.649 4.660 0.001 0.000 0.249 148 W C 2.224 178.736 176.519 -0.012 0.000 1.280 148 W CA 0.796 58.115 57.345 -0.043 0.000 1.345 148 W CB -0.664 28.898 29.460 0.171 0.000 1.128 148 W HN 0.394 nan 8.180 nan 0.000 0.642 149 N N 0.048 118.926 118.700 0.296 0.000 2.061 149 N HA -0.188 4.553 4.740 0.001 0.000 0.193 149 N C 0.668 176.209 175.510 0.052 0.000 1.030 149 N CA 1.842 55.027 53.050 0.225 0.000 0.856 149 N CB -0.413 38.226 38.487 0.252 0.000 1.023 149 N HN -0.051 nan 8.380 nan 0.000 0.424 150 C N 0.347 119.627 119.300 -0.033 0.000 2.395 150 C HA 0.423 4.884 4.460 0.001 0.000 0.315 150 C C 1.063 175.958 174.990 -0.158 0.000 1.399 150 C CA -0.680 58.269 59.018 -0.115 0.000 1.788 150 C CB -0.756 26.888 27.740 -0.160 0.000 2.564 150 C HN 0.313 nan 8.230 nan 0.000 0.552 151 K N 0.067 120.388 120.400 -0.131 0.000 2.474 151 K HA 0.194 4.515 4.320 0.001 0.000 0.202 151 K C 0.524 177.085 176.600 -0.066 0.000 1.248 151 K CA 0.587 56.781 56.287 -0.155 0.000 0.946 151 K CB 0.693 32.971 32.500 -0.370 0.000 1.102 151 K HN 0.357 nan 8.250 nan 0.000 0.541 152 T N 1.774 116.298 114.554 -0.050 0.000 3.041 152 T HA 0.274 4.624 4.350 0.001 0.000 0.321 152 T C -2.684 171.909 174.700 -0.177 0.000 1.184 152 T CA -1.481 60.574 62.100 -0.076 0.000 1.050 152 T CB 1.948 70.792 68.868 -0.040 0.000 1.159 152 T HN -0.203 nan 8.240 nan 0.000 0.469 153 P HA 0.138 nan 4.420 nan 0.000 0.245 153 P C 0.814 177.888 177.300 -0.376 0.000 1.212 153 P CA 0.244 63.211 63.100 -0.222 0.000 0.774 153 P CB 0.205 31.822 31.700 -0.139 0.000 0.999 154 K N -0.410 119.637 120.400 -0.589 0.000 2.504 154 K HA 0.046 4.367 4.320 0.001 0.000 0.195 154 K C 1.931 177.832 176.600 -1.164 0.000 1.036 154 K CA 0.420 56.077 56.287 -1.050 0.000 0.984 154 K CB -0.363 31.205 32.500 -1.553 0.000 0.788 154 K HN -0.120 nan 8.250 nan 0.000 0.488 155 M N -0.037 119.142 119.600 -0.702 0.000 2.267 155 M HA -0.188 4.293 4.480 0.001 0.000 0.263 155 M C 1.751 177.762 176.300 -0.481 0.000 1.063 155 M CA 1.642 56.639 55.300 -0.505 0.000 1.090 155 M CB -0.481 31.957 32.600 -0.270 0.000 1.392 155 M HN 0.301 nan 8.290 nan 0.000 0.422 156 M N -0.534 118.824 119.600 -0.403 0.000 2.200 156 M HA -0.186 4.295 4.480 0.001 0.000 0.265 156 M C 1.855 177.978 176.300 -0.295 0.000 1.066 156 M CA 1.498 56.621 55.300 -0.294 0.000 1.127 156 M CB -0.219 32.252 32.600 -0.215 0.000 1.379 156 M HN 0.263 nan 8.290 nan 0.000 0.420 157 E N -0.691 119.290 120.200 -0.365 0.000 2.076 157 E HA -0.149 4.202 4.350 0.001 0.000 0.190 157 E C 1.829 178.319 176.600 -0.184 0.000 0.979 157 E CA 0.800 57.039 56.400 -0.268 0.000 0.807 157 E CB -0.253 29.264 29.700 -0.306 0.000 0.761 157 E HN 0.499 nan 8.360 nan 0.000 0.454 158 W N 1.334 122.376 121.300 -0.429 0.000 2.335 158 W HA -0.121 4.540 4.660 0.001 0.000 0.311 158 W C 2.275 178.445 176.519 -0.582 0.000 1.213 158 W CA 0.406 57.433 57.345 -0.530 0.000 1.274 158 W CB -1.063 27.865 29.460 -0.886 0.000 1.148 158 W HN -0.056 nan 8.180 nan 0.000 0.498 159 V N 0.685 120.274 119.914 -0.540 0.000 2.307 159 V HA -0.288 3.832 4.120 0.001 0.000 0.245 159 V C 2.424 178.390 176.094 -0.213 0.000 1.045 159 V CA 2.314 64.323 62.300 -0.485 0.000 1.024 159 V CB -0.890 30.640 31.823 -0.488 0.000 0.651 159 V HN 0.123 nan 8.190 nan 0.000 0.449 160 K N 0.127 120.427 120.400 -0.167 0.000 2.160 160 K HA -0.274 4.046 4.320 0.001 0.000 0.206 160 K C 2.114 178.681 176.600 -0.055 0.000 1.047 160 K CA 2.203 58.434 56.287 -0.093 0.000 0.930 160 K CB -0.119 32.327 32.500 -0.089 0.000 0.720 160 K HN 0.632 nan 8.250 nan 0.000 0.450 161 E N -0.601 119.574 120.200 -0.041 0.000 2.102 161 E HA -0.035 4.315 4.350 0.001 0.000 0.190 161 E C 1.108 177.719 176.600 0.018 0.000 0.971 161 E CA 0.952 57.356 56.400 0.007 0.000 0.821 161 E CB 0.248 29.982 29.700 0.056 0.000 0.777 161 E HN 0.261 nan 8.360 nan 0.000 0.460 162 S N -0.271 115.439 115.700 0.017 0.000 2.511 162 S HA 0.264 4.735 4.470 0.001 0.000 0.214 162 S C 0.876 175.481 174.600 0.008 0.000 0.997 162 S CA 0.285 58.508 58.200 0.039 0.000 0.908 162 S CB 0.834 64.107 63.200 0.122 0.000 0.803 162 S HN 0.597 nan 8.310 nan 0.000 0.504 163 G N 2.834 111.614 108.800 -0.033 0.000 2.611 163 G HA2 -0.353 3.608 3.960 0.001 0.000 0.301 163 G HA3 -0.353 3.608 3.960 0.001 0.000 0.301 163 G C 0.138 175.044 174.900 0.010 0.000 1.233 163 G CA 0.572 45.664 45.100 -0.012 0.000 0.993 163 G HN 0.353 nan 8.290 nan 0.000 0.553 164 D N 1.233 121.693 120.400 0.100 0.000 2.310 164 D HA 0.039 4.680 4.640 0.001 0.000 0.212 164 D C 2.427 178.835 176.300 0.182 0.000 0.965 164 D CA 1.665 55.794 54.000 0.215 0.000 0.879 164 D CB -0.856 40.060 40.800 0.193 0.000 0.921 164 D HN 0.679 nan 8.370 nan 0.000 0.510 165 G N -0.105 108.745 108.800 0.083 0.000 2.534 165 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 165 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 165 G C 1.361 176.266 174.900 0.008 0.000 1.128 165 G CA -0.076 45.058 45.100 0.057 0.000 0.784 165 G HN 0.248 nan 8.290 nan 0.000 0.542 166 F N 0.873 120.677 119.950 -0.244 0.000 2.069 166 F HA -0.133 4.395 4.527 0.001 0.000 0.298 166 F C 2.344 177.991 175.800 -0.255 0.000 1.113 166 F CA 1.744 59.529 58.000 -0.359 0.000 1.214 166 F CB -0.323 38.259 39.000 -0.696 0.000 0.978 166 F HN 0.254 nan 8.300 nan 0.000 0.474 167 W N 0.375 121.707 121.300 0.054 0.000 2.321 167 W HA -0.148 4.513 4.660 0.001 0.000 0.306 167 W C 2.522 178.922 176.519 -0.198 0.000 1.217 167 W CA 1.211 58.518 57.345 -0.063 0.000 1.257 167 W CB -1.088 28.416 29.460 0.074 0.000 1.145 167 W HN 0.114 nan 8.180 nan 0.000 0.509 168 A N 0.050 122.914 122.820 0.074 0.000 2.169 168 A HA 0.052 4.373 4.320 0.001 0.000 0.212 168 A C 1.001 178.550 177.584 -0.059 0.000 1.153 168 A CA 0.146 52.196 52.037 0.021 0.000 0.756 168 A CB -0.467 18.572 19.000 0.065 0.000 0.813 168 A HN 0.141 nan 8.150 nan 0.000 0.471 169 K N 0.682 120.999 120.400 -0.139 0.000 2.336 169 K HA 0.143 4.464 4.320 0.001 0.000 0.262 169 K C -0.434 176.093 176.600 -0.122 0.000 0.992 169 K CA -0.096 56.103 56.287 -0.146 0.000 0.927 169 K CB 0.298 32.680 32.500 -0.197 0.000 0.956 169 K HN 0.325 nan 8.250 nan 0.000 0.495 170 D N 0.411 120.752 120.400 -0.098 0.000 2.382 170 D HA -0.057 4.584 4.640 0.001 0.000 0.245 170 D C 0.896 177.186 176.300 -0.017 0.000 1.120 170 D CA -0.003 53.960 54.000 -0.063 0.000 0.890 170 D CB 1.205 41.971 40.800 -0.058 0.000 1.201 170 D HN 0.207 nan 8.370 nan 0.000 0.433 171 V N 4.070 124.001 119.914 0.029 0.000 2.407 171 V HA -0.217 3.904 4.120 0.001 0.000 0.248 171 V C 1.431 177.669 176.094 0.240 0.000 1.055 171 V CA 1.774 64.185 62.300 0.186 0.000 1.049 171 V CB -0.602 31.234 31.823 0.021 0.000 0.662 171 V HN 0.601 nan 8.190 nan 0.000 0.455 172 N N 0.216 118.900 118.700 -0.028 0.000 2.585 172 N HA -0.135 4.606 4.740 0.001 0.000 0.188 172 N C 1.658 177.051 175.510 -0.195 0.000 1.102 172 N CA 1.076 54.001 53.050 -0.209 0.000 0.920 172 N CB -0.258 38.043 38.487 -0.311 0.000 0.963 172 N HN 0.694 nan 8.380 nan 0.000 0.447 173 E N -1.133 118.949 120.200 -0.198 0.000 2.427 173 E HA -0.032 4.319 4.350 0.001 0.000 0.196 173 E C 0.218 176.321 176.600 -0.828 0.000 1.028 173 E CA 0.573 56.678 56.400 -0.491 0.000 0.864 173 E CB 0.125 29.425 29.700 -0.666 0.000 0.813 173 E HN 0.330 nan 8.360 nan 0.000 0.514 174 F N -1.111 118.656 119.950 -0.304 0.000 2.706 174 F HA 0.285 4.813 4.527 0.001 0.000 0.313 174 F C 1.915 177.559 175.800 -0.259 0.000 1.096 174 F CA -0.462 57.184 58.000 -0.590 0.000 1.219 174 F CB 0.231 38.290 39.000 -1.568 0.000 1.051 174 F HN -0.157 nan 8.300 nan 0.000 0.568 175 R N 1.403 121.974 120.500 0.119 0.000 2.113 175 R HA -0.218 4.122 4.340 0.001 0.000 0.244 175 R C 1.239 177.618 176.300 0.132 0.000 1.142 175 R CA 2.360 58.549 56.100 0.149 0.000 0.953 175 R CB -0.342 29.685 30.300 -0.454 0.000 0.860 175 R HN 0.320 nan 8.270 nan 0.000 0.438 176 D N -0.850 119.604 120.400 0.090 0.000 2.368 176 D HA -0.021 4.620 4.640 0.001 0.000 0.218 176 D C -0.196 176.196 176.300 0.153 0.000 1.112 176 D CA 0.186 54.290 54.000 0.174 0.000 0.834 176 D CB 0.240 41.190 40.800 0.250 0.000 0.953 176 D HN 0.210 nan 8.370 nan 0.000 0.505 177 K N 0.749 121.232 120.400 0.139 0.000 3.109 177 K HA 0.430 4.751 4.320 0.001 0.000 0.214 177 K C -0.451 176.317 176.600 0.281 0.000 1.196 177 K CA -0.265 56.134 56.287 0.187 0.000 1.115 177 K CB 0.971 33.569 32.500 0.163 0.000 1.103 177 K HN 0.131 nan 8.250 nan 0.000 0.467 178 I N 0.003 120.729 120.570 0.259 0.000 2.743 178 I HA 0.108 4.278 4.170 0.001 0.000 0.292 178 I C -1.735 174.585 176.117 0.340 0.000 1.343 178 I CA -0.636 60.846 61.300 0.303 0.000 1.038 178 I CB 2.221 40.382 38.000 0.268 0.000 1.311 178 I HN 0.056 nan 8.210 nan 0.000 0.426 179 D N 7.233 127.914 120.400 0.468 0.000 2.316 179 D HA 0.151 4.792 4.640 0.001 0.000 0.245 179 D C 0.786 177.187 176.300 0.168 0.000 1.171 179 D CA -0.143 53.963 54.000 0.178 0.000 0.856 179 D CB 1.561 42.291 40.800 -0.118 0.000 1.090 179 D HN 0.668 nan 8.370 nan 0.000 0.476 180 M N 4.147 123.851 119.600 0.174 0.000 2.149 180 M HA -0.191 4.290 4.480 0.001 0.000 0.261 180 M C 1.539 177.922 176.300 0.138 0.000 1.064 180 M CA 1.592 57.004 55.300 0.187 0.000 1.102 180 M CB 0.280 32.989 32.600 0.182 0.000 1.369 180 M HN 0.239 nan 8.290 nan 0.000 0.408 181 K N -0.989 119.465 120.400 0.090 0.000 2.128 181 K HA -0.074 4.247 4.320 0.001 0.000 0.202 181 K C 1.302 177.942 176.600 0.065 0.000 1.050 181 K CA 1.046 57.376 56.287 0.072 0.000 0.966 181 K CB 0.011 32.546 32.500 0.060 0.000 0.759 181 K HN 0.226 nan 8.250 nan 0.000 0.454 182 D N -0.228 120.155 120.400 -0.030 0.000 2.348 182 D HA -0.018 4.623 4.640 0.001 0.000 0.211 182 D C 0.509 176.709 176.300 -0.165 0.000 0.998 182 D CA 0.888 54.817 54.000 -0.118 0.000 0.873 182 D CB 0.286 40.934 40.800 -0.254 0.000 0.925 182 D HN 0.284 nan 8.370 nan 0.000 0.524 183 H N -1.564 117.550 119.070 0.073 0.000 2.785 183 H HA 0.182 4.739 4.556 0.001 0.000 0.268 183 H C 0.274 175.619 175.328 0.029 0.000 1.153 183 H CA -0.161 55.898 56.048 0.019 0.000 1.111 183 H CB 0.647 30.389 29.762 -0.034 0.000 1.633 183 H HN -0.043 nan 8.280 nan 0.000 0.576 184 T N -0.750 113.903 114.554 0.164 0.000 2.813 184 T HA 0.165 4.516 4.350 0.001 0.000 0.297 184 T C 0.725 175.473 174.700 0.081 0.000 1.036 184 T CA -0.809 61.369 62.100 0.130 0.000 1.044 184 T CB 0.960 69.915 68.868 0.145 0.000 0.993 184 T HN 0.136 nan 8.240 nan 0.000 0.535 185 I N 2.385 122.959 120.570 0.007 0.000 3.513 185 I HA 0.075 4.246 4.170 0.001 0.000 0.343 185 I C 1.222 177.338 176.117 -0.001 0.000 1.230 185 I CA 0.966 62.212 61.300 -0.090 0.000 1.530 185 I CB -1.114 36.733 38.000 -0.256 0.000 1.323 185 I HN 0.954 nan 8.210 nan 0.000 0.460 186 G N 4.070 112.819 108.800 -0.086 0.000 2.921 186 G HA2 0.358 4.319 3.960 0.001 0.000 0.291 186 G HA3 0.358 4.319 3.960 0.001 0.000 0.291 186 G C 0.626 175.350 174.900 -0.294 0.000 1.370 186 G CA -0.198 44.790 45.100 -0.187 0.000 0.847 186 G HN 0.603 nan 8.290 nan 0.000 0.532 187 C N 0.215 119.185 119.300 -0.550 0.000 2.396 187 C HA 0.007 4.468 4.460 0.001 0.000 0.277 187 C C 3.295 178.010 174.990 -0.458 0.000 1.231 187 C CA 1.500 60.100 59.018 -0.696 0.000 1.775 187 C CB -1.481 25.203 27.740 -1.759 0.000 2.036 187 C HN 0.793 nan 8.230 nan 0.000 0.484 188 A N 0.560 123.162 122.820 -0.363 0.000 2.066 188 A HA -0.079 4.241 4.320 0.001 0.000 0.218 188 A C 2.146 179.680 177.584 -0.085 0.000 1.157 188 A CA 1.985 53.978 52.037 -0.073 0.000 0.670 188 A CB -0.966 18.075 19.000 0.068 0.000 0.804 188 A HN 0.576 nan 8.150 nan 0.000 0.453 189 T N -1.256 113.217 114.554 -0.135 0.000 2.849 189 T HA -0.175 4.176 4.350 0.001 0.000 0.270 189 T C 1.518 176.130 174.700 -0.146 0.000 1.066 189 T CA 1.751 63.763 62.100 -0.147 0.000 1.130 189 T CB -0.403 68.350 68.868 -0.192 0.000 0.864 189 T HN 0.630 nan 8.240 nan 0.000 0.481 190 C N -1.187 118.023 119.300 -0.151 0.000 3.294 190 C HA 0.290 4.750 4.460 0.001 0.000 0.441 190 C C 0.732 175.546 174.990 -0.293 0.000 1.364 190 C CA -0.688 58.191 59.018 -0.232 0.000 2.059 190 C CB -0.001 27.562 27.740 -0.295 0.000 2.925 190 C HN 0.505 nan 8.230 nan 0.000 0.633 191 H N 1.138 120.158 119.070 -0.084 0.000 2.529 191 H HA 0.316 4.873 4.556 0.001 0.000 0.348 191 H C -1.340 174.000 175.328 0.020 0.000 1.152 191 H CA -0.132 55.891 56.048 -0.043 0.000 1.202 191 H CB 1.314 31.017 29.762 -0.098 0.000 1.562 191 H HN 0.212 nan 8.280 nan 0.000 0.515 192 D N 2.528 123.030 120.400 0.170 0.000 2.383 192 D HA 0.066 4.707 4.640 0.001 0.000 0.252 192 D C -1.615 174.806 176.300 0.202 0.000 1.166 192 D CA -1.482 52.606 54.000 0.146 0.000 0.879 192 D CB 1.256 42.122 40.800 0.109 0.000 1.164 192 D HN 0.189 nan 8.370 nan 0.000 0.462 193 P HA -0.044 nan 4.420 nan 0.000 0.237 193 P C 0.552 177.903 177.300 0.085 0.000 1.178 193 P CA 0.842 64.064 63.100 0.204 0.000 0.766 193 P CB 0.324 32.081 31.700 0.096 0.000 0.876 194 Q N -1.188 118.669 119.800 0.095 0.000 2.274 194 Q HA 0.003 4.344 4.340 0.001 0.000 0.198 194 Q C 1.903 177.981 176.000 0.130 0.000 0.955 194 Q CA 1.750 57.601 55.803 0.080 0.000 0.859 194 Q CB -0.187 28.585 28.738 0.056 0.000 0.956 194 Q HN 0.253 nan 8.270 nan 0.000 0.516 195 T N -2.422 112.217 114.554 0.143 0.000 3.037 195 T HA 0.103 4.454 4.350 0.001 0.000 0.251 195 T C 1.046 175.887 174.700 0.235 0.000 1.079 195 T CA 0.013 62.222 62.100 0.182 0.000 1.067 195 T CB 0.397 69.350 68.868 0.142 0.000 0.948 195 T HN 0.101 nan 8.240 nan 0.000 0.496 196 M N -0.232 119.475 119.600 0.177 0.000 2.907 196 M HA -0.122 4.359 4.480 0.001 0.000 0.186 196 M C -0.255 176.194 176.300 0.249 0.000 0.631 196 M CA 0.497 55.868 55.300 0.118 0.000 0.700 196 M CB -2.262 30.194 32.600 -0.239 0.000 2.523 196 M HN 0.388 nan 8.290 nan 0.000 0.323 197 E N 0.856 121.182 120.200 0.210 0.000 2.458 197 E HA 0.212 4.563 4.350 0.001 0.000 0.264 197 E C 0.329 176.992 176.600 0.105 0.000 1.097 197 E CA -0.029 56.470 56.400 0.164 0.000 0.973 197 E CB 0.422 30.193 29.700 0.118 0.000 0.963 197 E HN 0.492 nan 8.360 nan 0.000 0.451 198 L N 2.680 123.928 121.223 0.042 0.000 2.380 198 L HA 0.241 4.581 4.340 0.001 0.000 0.273 198 L C 0.945 177.792 176.870 -0.038 0.000 1.138 198 L CA 0.179 54.979 54.840 -0.065 0.000 0.832 198 L CB 0.484 42.505 42.059 -0.064 0.000 1.124 198 L HN 0.141 nan 8.230 nan 0.000 0.454 199 R N 3.279 123.734 120.500 -0.075 0.000 2.686 199 R HA 0.572 4.913 4.340 0.001 0.000 0.286 199 R C -1.123 175.143 176.300 -0.058 0.000 0.969 199 R CA -0.948 55.127 56.100 -0.043 0.000 0.898 199 R CB 2.491 32.772 30.300 -0.031 0.000 1.183 199 R HN 0.480 nan 8.270 nan 0.000 0.456 200 I N 1.721 122.270 120.570 -0.034 0.000 2.297 200 I HA 0.074 4.245 4.170 0.001 0.000 0.291 200 I C 1.436 177.528 176.117 -0.041 0.000 1.033 200 I CA 0.140 61.417 61.300 -0.037 0.000 1.253 200 I CB 1.792 39.784 38.000 -0.013 0.000 1.396 200 I HN 0.749 nan 8.210 nan 0.000 0.476 201 T N 0.351 114.870 114.554 -0.057 0.000 3.040 201 T HA 0.111 4.461 4.350 0.001 0.000 0.250 201 T C 0.893 175.557 174.700 -0.060 0.000 1.058 201 T CA -0.238 61.826 62.100 -0.061 0.000 0.988 201 T CB 0.188 69.010 68.868 -0.078 0.000 0.993 201 T HN 0.401 nan 8.240 nan 0.000 0.519 202 S N 0.552 116.219 115.700 -0.055 0.000 2.549 202 S HA 0.308 4.779 4.470 0.001 0.000 0.283 202 S C 1.364 175.916 174.600 -0.080 0.000 1.320 202 S CA -0.598 57.569 58.200 -0.055 0.000 1.058 202 S CB 0.764 63.945 63.200 -0.032 0.000 0.882 202 S HN 0.227 nan 8.310 nan 0.000 0.498 203 V N 7.450 127.319 119.914 -0.075 0.000 2.283 203 V HA -0.027 4.094 4.120 0.001 0.000 0.243 203 V C -0.729 175.207 176.094 -0.263 0.000 1.039 203 V CA 1.345 63.587 62.300 -0.097 0.000 1.016 203 V CB -1.332 30.511 31.823 0.034 0.000 0.650 203 V HN 0.754 nan 8.190 nan 0.000 0.449 204 P HA -0.150 nan 4.420 nan 0.000 0.218 204 P C 1.941 178.692 177.300 -0.914 0.000 1.149 204 P CA 1.319 63.909 63.100 -0.849 0.000 0.817 204 P CB 0.028 30.945 31.700 -1.306 0.000 0.785 205 L N -0.020 120.846 121.223 -0.595 0.000 2.027 205 L HA -0.074 4.267 4.340 0.001 0.000 0.206 205 L C 2.326 179.156 176.870 -0.067 0.000 1.074 205 L CA 2.179 56.901 54.840 -0.198 0.000 0.745 205 L CB -1.685 40.412 42.059 0.064 0.000 0.898 205 L HN -0.084 nan 8.230 nan 0.000 0.433 206 T N -0.412 114.089 114.554 -0.089 0.000 2.699 206 T HA -0.211 4.140 4.350 0.001 0.000 0.268 206 T C 1.474 176.134 174.700 -0.066 0.000 1.036 206 T CA 1.642 63.712 62.100 -0.050 0.000 1.147 206 T CB -0.421 68.413 68.868 -0.057 0.000 0.862 206 T HN 0.390 nan 8.240 nan 0.000 0.446 207 D N -0.182 120.133 120.400 -0.141 0.000 2.123 207 D HA -0.084 4.557 4.640 0.001 0.000 0.196 207 D C 1.657 177.910 176.300 -0.078 0.000 0.992 207 D CA 1.045 54.960 54.000 -0.141 0.000 0.833 207 D CB -0.380 40.278 40.800 -0.237 0.000 0.954 207 D HN 0.539 nan 8.370 nan 0.000 0.455 208 Y N 1.167 121.355 120.300 -0.188 0.000 2.153 208 Y HA -0.097 4.454 4.550 0.001 0.000 0.289 208 Y C 2.257 178.175 175.900 0.031 0.000 1.127 208 Y CA 1.163 59.222 58.100 -0.067 0.000 1.131 208 Y CB -0.389 38.051 38.460 -0.033 0.000 0.995 208 Y HN -0.130 nan 8.280 nan 0.000 0.505 209 L N -0.623 120.645 121.223 0.075 0.000 2.051 209 L HA -0.297 4.044 4.340 0.001 0.000 0.214 209 L C 2.348 179.164 176.870 -0.089 0.000 1.076 209 L CA 1.492 56.335 54.840 0.005 0.000 0.758 209 L CB -0.877 41.245 42.059 0.106 0.000 0.890 209 L HN 0.193 nan 8.230 nan 0.000 0.433 210 V N -0.348 119.524 119.914 -0.070 0.000 2.358 210 V HA -0.251 3.869 4.120 0.001 0.000 0.246 210 V C 2.630 178.668 176.094 -0.094 0.000 1.047 210 V CA 1.918 64.179 62.300 -0.065 0.000 1.035 210 V CB -0.499 31.296 31.823 -0.046 0.000 0.658 210 V HN 0.665 nan 8.190 nan 0.000 0.452 211 S N -0.554 115.065 115.700 -0.134 0.000 2.500 211 S HA -0.188 4.283 4.470 0.001 0.000 0.239 211 S C 1.650 176.144 174.600 -0.177 0.000 0.989 211 S CA 1.015 59.135 58.200 -0.134 0.000 0.951 211 S CB -0.225 62.901 63.200 -0.122 0.000 0.759 211 S HN 0.628 nan 8.310 nan 0.000 0.523 212 Q N -0.021 119.632 119.800 -0.244 0.000 2.282 212 Q HA 0.288 4.629 4.340 0.001 0.000 0.206 212 Q C 1.493 177.435 176.000 -0.096 0.000 0.878 212 Q CA 0.635 56.311 55.803 -0.211 0.000 0.944 212 Q CB 0.532 29.071 28.738 -0.331 0.000 1.100 212 Q HN 0.763 nan 8.270 nan 0.000 0.509 213 G N 1.639 110.395 108.800 -0.074 0.000 2.176 213 G HA2 -0.264 3.697 3.960 0.001 0.000 0.253 213 G HA3 -0.264 3.697 3.960 0.001 0.000 0.253 213 G C 0.103 174.993 174.900 -0.015 0.000 0.979 213 G CA 0.124 45.204 45.100 -0.034 0.000 0.641 213 G HN 0.231 nan 8.290 nan 0.000 0.530 214 K N 0.734 121.125 120.400 -0.015 0.000 2.218 214 K HA 0.388 4.709 4.320 0.001 0.000 0.276 214 K C -0.807 175.803 176.600 0.016 0.000 1.022 214 K CA -0.611 55.686 56.287 0.016 0.000 0.946 214 K CB 1.114 33.641 32.500 0.045 0.000 1.000 214 K HN 0.135 nan 8.250 nan 0.000 0.468 215 D N 3.074 123.488 120.400 0.024 0.000 2.313 215 D HA 0.142 4.783 4.640 0.001 0.000 0.239 215 D C -1.920 174.398 176.300 0.031 0.000 1.142 215 D CA -2.401 51.612 54.000 0.022 0.000 0.847 215 D CB 1.450 42.263 40.800 0.021 0.000 1.082 215 D HN 0.127 nan 8.370 nan 0.000 0.480 216 P HA 0.045 nan 4.420 nan 0.000 0.242 216 P C 0.340 177.656 177.300 0.026 0.000 1.197 216 P CA 0.696 63.815 63.100 0.030 0.000 0.765 216 P CB 0.308 32.020 31.700 0.020 0.000 0.936 217 K N -0.822 119.592 120.400 0.025 0.000 2.355 217 K HA 0.158 4.478 4.320 0.001 0.000 0.198 217 K C 0.755 177.374 176.600 0.031 0.000 1.039 217 K CA 0.194 56.496 56.287 0.025 0.000 1.075 217 K CB 0.530 33.043 32.500 0.021 0.000 0.870 217 K HN -0.124 nan 8.250 nan 0.000 0.540 218 K N 1.352 121.773 120.400 0.034 0.000 3.045 218 K HA 0.282 4.603 4.320 0.001 0.000 0.211 218 K C -0.707 175.920 176.600 0.045 0.000 1.141 218 K CA -0.081 56.228 56.287 0.037 0.000 1.036 218 K CB 0.617 33.136 32.500 0.032 0.000 0.851 218 K HN 0.065 nan 8.250 nan 0.000 0.462 219 L N 2.150 123.403 121.223 0.050 0.000 2.312 219 L HA 0.327 4.668 4.340 0.001 0.000 0.281 219 L C -1.989 174.919 176.870 0.064 0.000 1.070 219 L CA -1.928 52.950 54.840 0.062 0.000 0.805 219 L CB 0.757 42.859 42.059 0.071 0.000 1.174 219 L HN -0.069 nan 8.230 nan 0.000 0.434 220 P HA 0.045 nan 4.420 nan 0.000 0.265 220 P C 0.140 177.485 177.300 0.075 0.000 1.193 220 P CA -0.350 62.792 63.100 0.070 0.000 0.765 220 P CB 0.630 32.373 31.700 0.072 0.000 0.823 221 R N 3.888 124.431 120.500 0.071 0.000 2.113 221 R HA -0.243 4.098 4.340 0.001 0.000 0.244 221 R C 1.707 178.052 176.300 0.076 0.000 1.142 221 R CA 2.247 58.390 56.100 0.072 0.000 0.953 221 R CB -1.351 28.995 30.300 0.077 0.000 0.860 221 R HN 0.444 nan 8.270 nan 0.000 0.438 222 N N 0.058 118.808 118.700 0.083 0.000 2.309 222 N HA -0.110 4.631 4.740 0.001 0.000 0.182 222 N C 1.255 176.835 175.510 0.116 0.000 1.018 222 N CA 1.402 54.508 53.050 0.092 0.000 0.876 222 N CB 0.067 38.611 38.487 0.094 0.000 0.972 222 N HN 0.446 nan 8.380 nan 0.000 0.434 223 E N -0.747 119.527 120.200 0.123 0.000 2.072 223 E HA -0.127 4.224 4.350 0.001 0.000 0.190 223 E C 1.654 178.333 176.600 0.133 0.000 0.982 223 E CA 0.741 57.238 56.400 0.162 0.000 0.803 223 E CB -0.011 29.785 29.700 0.160 0.000 0.755 223 E HN 0.373 nan 8.360 nan 0.000 0.453 224 M N 0.405 120.058 119.600 0.088 0.000 2.149 224 M HA -0.149 4.332 4.480 0.001 0.000 0.261 224 M C 1.945 178.254 176.300 0.015 0.000 1.064 224 M CA 1.510 56.839 55.300 0.048 0.000 1.102 224 M CB -0.763 31.858 32.600 0.034 0.000 1.369 224 M HN -0.014 nan 8.290 nan 0.000 0.408 225 R N -0.752 119.758 120.500 0.016 0.000 2.328 225 R HA 0.020 4.361 4.340 0.001 0.000 0.207 225 R C 1.867 178.112 176.300 -0.093 0.000 1.056 225 R CA 0.810 56.894 56.100 -0.026 0.000 1.016 225 R CB -0.128 30.167 30.300 -0.008 0.000 0.872 225 R HN 0.380 nan 8.270 nan 0.000 0.471 226 A N 0.062 122.841 122.820 -0.069 0.000 1.970 226 A HA 0.123 4.443 4.320 0.001 0.000 0.204 226 A C 1.836 179.420 177.584 -0.000 0.000 1.325 226 A CA -0.084 51.846 52.037 -0.178 0.000 0.767 226 A CB -0.057 18.825 19.000 -0.197 0.000 0.949 226 A HN 0.119 nan 8.150 nan 0.000 0.481 227 L N 0.931 122.200 121.223 0.077 0.000 2.131 227 L HA -0.173 4.167 4.340 0.001 0.000 0.210 227 L C 2.646 179.481 176.870 -0.057 0.000 1.092 227 L CA 1.517 56.362 54.840 0.009 0.000 0.759 227 L CB -0.684 41.411 42.059 0.061 0.000 0.903 227 L HN 0.446 nan 8.230 nan 0.000 0.435 228 V N -3.319 116.555 119.914 -0.066 0.000 2.324 228 V HA -0.320 3.801 4.120 0.001 0.000 0.250 228 V C 2.312 178.327 176.094 -0.131 0.000 1.060 228 V CA 2.045 64.281 62.300 -0.107 0.000 1.042 228 V CB -1.474 30.272 31.823 -0.128 0.000 0.650 228 V HN 0.534 nan 8.190 nan 0.000 0.450 229 C N 1.623 120.843 119.300 -0.133 0.000 2.475 229 C HA 0.253 4.714 4.460 0.001 0.000 0.279 229 C C 2.999 177.963 174.990 -0.043 0.000 1.322 229 C CA 0.260 59.206 59.018 -0.119 0.000 1.734 229 C CB -1.875 25.737 27.740 -0.212 0.000 2.005 229 C HN 0.668 nan 8.230 nan 0.000 0.495 230 G N 0.053 108.807 108.800 -0.076 0.000 2.586 230 G HA2 -0.170 3.791 3.960 0.001 0.000 0.215 230 G HA3 -0.170 3.791 3.960 0.001 0.000 0.215 230 G C 1.573 176.410 174.900 -0.104 0.000 1.128 230 G CA 0.270 45.262 45.100 -0.179 0.000 0.774 230 G HN 0.703 nan 8.290 nan 0.000 0.543 231 Q N -1.017 118.747 119.800 -0.060 0.000 2.170 231 Q HA -0.087 4.254 4.340 0.001 0.000 0.203 231 Q C 2.040 178.041 176.000 0.001 0.000 0.976 231 Q CA 1.507 57.307 55.803 -0.005 0.000 0.858 231 Q CB -0.062 28.638 28.738 -0.062 0.000 0.907 231 Q HN 0.618 nan 8.270 nan 0.000 0.433 232 C N -2.468 116.779 119.300 -0.088 0.000 3.685 232 C HA 0.149 4.610 4.460 0.001 0.000 0.513 232 C C 0.823 175.666 174.990 -0.246 0.000 1.448 232 C CA -0.541 58.371 59.018 -0.177 0.000 2.275 232 C CB -0.016 27.552 27.740 -0.288 0.000 3.373 232 C HN 0.398 nan 8.230 nan 0.000 0.627 233 H N 2.180 121.176 119.070 -0.122 0.000 2.768 233 H HA 0.418 4.975 4.556 0.002 0.000 0.219 233 H C 0.013 175.390 175.328 0.082 0.000 1.898 233 H CA 0.773 56.791 56.048 -0.049 0.000 1.313 233 H CB -0.047 29.670 29.762 -0.074 0.000 1.701 233 H HN 0.448 nan 8.280 nan 0.000 0.534 234 V N -0.871 119.157 119.914 0.189 0.000 3.182 234 V HA 0.445 4.566 4.120 0.001 0.000 0.308 234 V C -0.360 175.821 176.094 0.146 0.000 1.240 234 V CA -1.335 61.031 62.300 0.111 0.000 1.063 234 V CB 2.761 34.416 31.823 -0.281 0.000 1.076 234 V HN 0.229 nan 8.190 nan 0.000 0.446 235 E N 1.400 121.664 120.200 0.106 0.000 2.283 235 E HA 0.610 4.961 4.350 0.001 0.000 0.278 235 E C -0.964 175.707 176.600 0.118 0.000 1.027 235 E CA -0.133 56.301 56.400 0.056 0.000 0.843 235 E CB 1.094 30.849 29.700 0.090 0.000 1.062 235 E HN 0.956 nan 8.360 nan 0.000 0.401 236 Y N 1.900 122.227 120.300 0.044 0.000 2.705 236 Y HA 0.761 5.312 4.550 0.001 0.000 0.332 236 Y C -1.351 174.608 175.900 0.098 0.000 1.157 236 Y CA -1.421 56.738 58.100 0.098 0.000 1.091 236 Y CB 0.906 39.438 38.460 0.119 0.000 1.301 236 Y HN 0.577 nan 8.280 nan 0.000 0.488 237 Y N -1.350 118.921 120.300 -0.048 0.000 2.725 237 Y HA 0.780 5.331 4.550 0.001 0.000 0.333 237 Y C -2.466 173.372 175.900 -0.103 0.000 1.242 237 Y CA -2.642 55.279 58.100 -0.299 0.000 1.059 237 Y CB 0.994 39.192 38.460 -0.436 0.000 1.306 237 Y HN 0.470 nan 8.280 nan 0.000 0.454 238 F N 1.345 121.530 119.950 0.393 0.000 2.436 238 F HA 0.428 4.956 4.527 0.001 0.000 0.340 238 F C 0.051 176.082 175.800 0.386 0.000 1.113 238 F CA -1.533 56.608 58.000 0.235 0.000 1.022 238 F CB 0.791 39.962 39.000 0.285 0.000 1.128 238 F HN 0.430 nan 8.300 nan 0.000 0.466 239 N N 1.537 120.450 118.700 0.356 0.000 2.292 239 N HA 0.067 4.808 4.740 0.001 0.000 0.258 239 N C 0.458 176.202 175.510 0.390 0.000 1.261 239 N CA 0.367 53.636 53.050 0.365 0.000 0.845 239 N CB 0.695 39.286 38.487 0.174 0.000 1.064 239 N HN 0.917 nan 8.380 nan 0.000 0.471 240 G N 2.175 111.206 108.800 0.386 0.000 2.588 240 G HA2 0.245 4.206 3.960 0.001 0.000 0.281 240 G HA3 0.245 4.206 3.960 0.001 0.000 0.281 240 G C -1.415 173.601 174.900 0.193 0.000 1.236 240 G CA -0.934 44.330 45.100 0.273 0.000 0.969 240 G HN 0.341 nan 8.290 nan 0.000 0.504 241 P HA -0.044 nan 4.420 nan 0.000 0.219 241 P C 1.605 178.967 177.300 0.103 0.000 1.146 241 P CA 1.816 64.984 63.100 0.113 0.000 0.808 241 P CB 0.158 31.911 31.700 0.088 0.000 0.779 242 T N -5.859 108.758 114.554 0.105 0.000 3.134 242 T HA 0.277 4.628 4.350 0.001 0.000 0.260 242 T C 1.028 175.788 174.700 0.100 0.000 1.027 242 T CA -0.070 62.082 62.100 0.087 0.000 0.913 242 T CB -0.670 68.240 68.868 0.069 0.000 1.046 242 T HN -0.004 nan 8.240 nan 0.000 0.553 243 M N 0.944 120.624 119.600 0.133 0.000 2.356 243 M HA 0.470 4.951 4.480 0.001 0.000 0.262 243 M C 1.202 177.578 176.300 0.127 0.000 1.097 243 M CA -0.076 55.315 55.300 0.151 0.000 0.991 243 M CB 0.639 33.379 32.600 0.233 0.000 1.450 243 M HN 0.563 nan 8.290 nan 0.000 0.495 244 G N 0.401 109.262 108.800 0.102 0.000 2.236 244 G HA2 -0.082 3.878 3.960 0.001 0.000 0.231 244 G HA3 -0.082 3.878 3.960 0.001 0.000 0.231 244 G C -1.104 173.846 174.900 0.084 0.000 1.334 244 G CA -1.090 44.058 45.100 0.080 0.000 1.137 244 G HN -0.079 nan 8.290 nan 0.000 0.482 245 V N 2.221 122.178 119.914 0.071 0.000 2.450 245 V HA 0.223 4.344 4.120 0.001 0.000 0.281 245 V C 0.997 177.156 176.094 0.109 0.000 1.019 245 V CA 0.146 62.505 62.300 0.099 0.000 1.062 245 V CB 0.618 32.510 31.823 0.115 0.000 0.979 245 V HN 0.728 nan 8.190 nan 0.000 0.477 246 N N 6.434 125.215 118.700 0.136 0.000 2.365 246 N HA -0.032 4.709 4.740 0.001 0.000 0.265 246 N C 0.771 176.378 175.510 0.162 0.000 1.288 246 N CA 0.463 53.600 53.050 0.144 0.000 0.869 246 N CB 0.084 38.647 38.487 0.127 0.000 1.071 246 N HN 0.626 nan 8.380 nan 0.000 0.480 247 K N -0.323 120.172 120.400 0.158 0.000 3.500 247 K HA -0.237 4.084 4.320 0.001 0.000 0.313 247 K C -0.303 176.317 176.600 0.034 0.000 1.338 247 K CA 0.585 56.948 56.287 0.127 0.000 0.963 247 K CB -1.733 30.792 32.500 0.041 0.000 1.267 247 K HN 0.705 nan 8.250 nan 0.000 0.448 248 K N 2.220 122.544 120.400 -0.128 0.000 2.448 248 K HA 0.055 4.376 4.320 0.001 0.000 0.278 248 K C -2.149 174.215 176.600 -0.393 0.000 1.009 248 K CA -1.075 54.845 56.287 -0.613 0.000 0.995 248 K CB 0.561 32.739 32.500 -0.536 0.000 0.917 248 K HN -0.112 nan 8.250 nan 0.000 0.481 249 P HA 0.072 nan 4.420 nan 0.000 0.275 249 P C -1.028 175.950 177.300 -0.536 0.000 1.227 249 P CA -0.267 62.652 63.100 -0.302 0.000 0.781 249 P CB 1.002 32.548 31.700 -0.255 0.000 0.906 250 V N 3.763 123.312 119.914 -0.608 0.000 2.808 250 V HA 0.368 4.489 4.120 0.001 0.000 0.308 250 V C -0.216 175.590 176.094 -0.481 0.000 1.099 250 V CA -0.577 61.294 62.300 -0.715 0.000 0.920 250 V CB 1.867 33.211 31.823 -0.800 0.000 1.014 250 V HN 0.385 nan 8.190 nan 0.000 0.425 251 F N 4.899 124.485 119.950 -0.607 0.000 2.411 251 F HA 0.377 4.905 4.527 0.001 0.000 0.355 251 F C -1.751 173.614 175.800 -0.725 0.000 1.117 251 F CA -2.227 55.280 58.000 -0.821 0.000 1.139 251 F CB 1.787 39.726 39.000 -1.769 0.000 1.120 251 F HN 0.297 nan 8.300 nan 0.000 0.493 252 P HA -0.012 nan 4.420 nan 0.000 0.237 252 P C -0.428 176.560 177.300 -0.520 0.000 1.788 252 P CA 0.094 62.634 63.100 -0.934 0.000 1.061 252 P CB -0.158 31.002 31.700 -0.900 0.000 1.967 253 W N 0.954 121.883 121.300 -0.619 0.000 2.871 253 W HA 0.361 5.022 4.660 0.001 0.000 0.340 253 W C 1.897 178.245 176.519 -0.286 0.000 1.058 253 W CA -0.101 56.979 57.345 -0.442 0.000 1.633 253 W CB -1.061 28.112 29.460 -0.478 0.000 1.067 253 W HN 0.209 nan 8.180 nan 0.000 0.554 254 A N 0.366 123.204 122.820 0.030 0.000 2.024 254 A HA -0.167 4.154 4.320 0.001 0.000 0.220 254 A C 1.741 179.394 177.584 0.115 0.000 1.164 254 A CA 1.622 53.754 52.037 0.158 0.000 0.643 254 A CB -0.138 19.017 19.000 0.259 0.000 0.806 254 A HN 0.088 nan 8.150 nan 0.000 0.451 255 E N -1.162 119.087 120.200 0.082 0.000 2.472 255 E HA 0.338 4.689 4.350 0.001 0.000 0.196 255 E C 0.930 177.509 176.600 -0.034 0.000 1.033 255 E CA 0.748 57.183 56.400 0.058 0.000 0.886 255 E CB 0.282 30.047 29.700 0.108 0.000 0.944 255 E HN 0.690 nan 8.360 nan 0.000 0.492 256 G N 0.275 108.971 108.800 -0.173 0.000 2.384 256 G HA2 -0.153 3.808 3.960 0.001 0.000 0.668 256 G HA3 -0.153 3.808 3.960 0.001 0.000 0.668 256 G C -0.280 174.383 174.900 -0.394 0.000 1.280 256 G CA -0.646 44.276 45.100 -0.296 0.000 0.992 256 G HN 0.097 nan 8.290 nan 0.000 0.512 257 F N 0.674 120.572 119.950 -0.086 0.000 2.704 257 F HA 0.281 4.809 4.527 0.002 0.000 0.304 257 F C 1.034 176.812 175.800 -0.036 0.000 1.094 257 F CA -0.075 57.835 58.000 -0.149 0.000 1.275 257 F CB 0.555 39.408 39.000 -0.245 0.000 1.073 257 F HN 0.237 nan 8.300 nan 0.000 0.586 258 D N 0.844 121.305 120.400 0.101 0.000 2.348 258 D HA 0.139 4.780 4.640 0.001 0.000 0.249 258 D C -1.515 174.698 176.300 -0.145 0.000 1.110 258 D CA -1.796 52.183 54.000 -0.036 0.000 0.967 258 D CB 0.675 41.447 40.800 -0.045 0.000 1.139 258 D HN -0.164 nan 8.370 nan 0.000 0.466 259 P HA -0.197 nan 4.420 nan 0.000 0.216 259 P C 0.998 178.182 177.300 -0.194 0.000 1.157 259 P CA 2.041 64.753 63.100 -0.646 0.000 0.880 259 P CB 0.135 30.921 31.700 -1.525 0.000 0.791 260 A N -0.337 122.452 122.820 -0.051 0.000 1.940 260 A HA -0.237 4.084 4.320 0.001 0.000 0.219 260 A C 1.949 179.639 177.584 0.176 0.000 1.176 260 A CA 2.164 54.342 52.037 0.235 0.000 0.631 260 A CB -1.301 17.840 19.000 0.236 0.000 0.814 260 A HN 0.135 nan 8.150 nan 0.000 0.446 261 D N -0.464 119.992 120.400 0.093 0.000 2.103 261 D HA -0.077 4.564 4.640 0.001 0.000 0.199 261 D C 2.047 178.391 176.300 0.074 0.000 0.978 261 D CA 1.303 55.346 54.000 0.072 0.000 0.829 261 D CB -0.380 40.433 40.800 0.021 0.000 0.981 261 D HN 0.485 nan 8.370 nan 0.000 0.464 262 M N -0.548 119.106 119.600 0.091 0.000 2.229 262 M HA -0.142 4.339 4.480 0.001 0.000 0.264 262 M C 2.130 178.398 176.300 -0.053 0.000 1.063 262 M CA 0.932 56.247 55.300 0.026 0.000 1.114 262 M CB -0.214 32.541 32.600 0.259 0.000 1.387 262 M HN 0.011 nan 8.290 nan 0.000 0.420 263 Y N 0.757 121.010 120.300 -0.077 0.000 2.242 263 Y HA -0.178 4.373 4.550 0.001 0.000 0.291 263 Y C 2.555 178.448 175.900 -0.011 0.000 1.137 263 Y CA 1.691 59.721 58.100 -0.116 0.000 1.181 263 Y CB -0.172 38.323 38.460 0.059 0.000 0.989 263 Y HN 0.062 nan 8.280 nan 0.000 0.527 264 R N -1.194 119.365 120.500 0.098 0.000 2.115 264 R HA -0.222 4.119 4.340 0.001 0.000 0.230 264 R C 2.160 178.451 176.300 -0.014 0.000 1.111 264 R CA 1.531 57.649 56.100 0.030 0.000 0.976 264 R CB -0.663 29.685 30.300 0.081 0.000 0.870 264 R HN 0.538 nan 8.270 nan 0.000 0.445 265 Y N -0.363 119.853 120.300 -0.140 0.000 2.181 265 Y HA -0.254 4.297 4.550 0.001 0.000 0.288 265 Y C 1.208 177.003 175.900 -0.174 0.000 1.146 265 Y CA 1.626 59.637 58.100 -0.148 0.000 1.164 265 Y CB -0.112 38.149 38.460 -0.331 0.000 0.982 265 Y HN 0.075 nan 8.280 nan 0.000 0.515 266 Y N 0.322 120.577 120.300 -0.075 0.000 2.616 266 Y HA -0.104 4.446 4.550 0.001 0.000 0.296 266 Y C 1.854 177.576 175.900 -0.297 0.000 1.154 266 Y CA 0.732 58.689 58.100 -0.239 0.000 1.325 266 Y CB -0.522 37.724 38.460 -0.356 0.000 1.007 266 Y HN 0.228 nan 8.280 nan 0.000 0.542 267 D N -0.260 120.023 120.400 -0.195 0.000 2.234 267 D HA -0.067 4.574 4.640 0.001 0.000 0.205 267 D C 1.476 177.670 176.300 -0.177 0.000 0.962 267 D CA 1.173 55.051 54.000 -0.203 0.000 0.855 267 D CB 0.171 40.856 40.800 -0.191 0.000 0.951 267 D HN 0.354 nan 8.370 nan 0.000 0.500 268 K N -1.049 119.209 120.400 -0.236 0.000 2.399 268 K HA 0.133 4.454 4.320 0.001 0.000 0.196 268 K C 0.278 176.558 176.600 -0.533 0.000 1.103 268 K CA 0.084 56.148 56.287 -0.371 0.000 0.986 268 K CB 0.821 33.052 32.500 -0.448 0.000 0.952 268 K HN 0.125 nan 8.250 nan 0.000 0.541 269 H N 0.430 119.297 119.070 -0.339 0.000 2.551 269 H HA 0.541 5.098 4.556 0.001 0.000 0.321 269 H C 0.145 175.425 175.328 -0.081 0.000 1.028 269 H CA -0.371 55.501 56.048 -0.293 0.000 1.215 269 H CB 1.658 31.048 29.762 -0.619 0.000 1.414 269 H HN 0.346 nan 8.280 nan 0.000 0.480 270 G N 2.234 111.099 108.800 0.108 0.000 2.317 270 G HA2 0.071 4.032 3.960 0.001 0.000 0.293 270 G HA3 0.071 4.032 3.960 0.001 0.000 0.293 270 G C -1.090 173.875 174.900 0.110 0.000 1.287 270 G CA -0.428 44.794 45.100 0.204 0.000 0.850 270 G HN 0.548 nan 8.290 nan 0.000 0.515 271 D N -1.085 119.355 120.400 0.068 0.000 2.567 271 D HA 0.139 4.780 4.640 0.001 0.000 0.268 271 D C 0.449 176.743 176.300 -0.009 0.000 1.448 271 D CA -0.324 53.696 54.000 0.034 0.000 0.811 271 D CB -0.430 40.406 40.800 0.061 0.000 1.192 271 D HN 0.442 nan 8.370 nan 0.000 0.488 272 L N 0.880 122.084 121.223 -0.032 0.000 2.485 272 L HA 0.122 4.463 4.340 0.001 0.000 0.275 272 L C 1.262 178.126 176.870 -0.010 0.000 1.207 272 L CA 0.541 55.354 54.840 -0.045 0.000 0.855 272 L CB 0.940 42.968 42.059 -0.051 0.000 1.114 272 L HN -0.007 nan 8.230 nan 0.000 0.485 273 Q N 1.581 121.374 119.800 -0.012 0.000 2.217 273 Q HA 0.156 4.497 4.340 0.001 0.000 0.217 273 Q C -0.385 175.623 176.000 0.015 0.000 0.844 273 Q CA -0.285 55.519 55.803 0.003 0.000 0.957 273 Q CB 1.119 29.857 28.738 -0.000 0.000 1.127 273 Q HN 0.478 nan 8.270 nan 0.000 0.503 274 V N 2.326 122.252 119.914 0.019 0.000 2.585 274 V HA -0.028 4.093 4.120 0.001 0.000 0.296 274 V C 0.388 176.550 176.094 0.113 0.000 1.035 274 V CA 0.000 62.326 62.300 0.043 0.000 1.084 274 V CB 0.602 32.417 31.823 -0.013 0.000 0.953 274 V HN 0.150 nan 8.190 nan 0.000 0.483 275 K N 3.566 124.015 120.400 0.081 0.000 2.491 275 K HA 0.301 4.622 4.320 0.001 0.000 0.279 275 K C 1.179 177.840 176.600 0.102 0.000 1.026 275 K CA 1.257 57.581 56.287 0.062 0.000 1.070 275 K CB -0.135 32.384 32.500 0.032 0.000 0.887 275 K HN 1.031 nan 8.250 nan 0.000 0.481 276 G N 3.343 112.131 108.800 -0.020 0.000 2.232 276 G HA2 -0.248 3.713 3.960 0.001 0.000 0.226 276 G HA3 -0.248 3.713 3.960 0.001 0.000 0.226 276 G C 0.323 174.901 174.900 -0.537 0.000 0.996 276 G CA 0.129 45.078 45.100 -0.251 0.000 0.626 276 G HN 0.573 nan 8.290 nan 0.000 0.509 277 F N 1.656 121.556 119.950 -0.084 0.000 2.817 277 F HA 0.437 4.965 4.527 0.001 0.000 0.319 277 F C 0.492 176.237 175.800 -0.092 0.000 1.136 277 F CA -0.703 57.238 58.000 -0.097 0.000 1.177 277 F CB 0.703 39.635 39.000 -0.112 0.000 1.088 277 F HN -0.014 nan 8.300 nan 0.000 0.520 278 E N 0.613 120.835 120.200 0.037 0.000 2.585 278 E HA 0.322 4.672 4.350 0.001 0.000 0.252 278 E C 1.337 177.927 176.600 -0.017 0.000 0.981 278 E CA 1.382 57.786 56.400 0.006 0.000 0.943 278 E CB -0.056 29.632 29.700 -0.020 0.000 0.923 278 E HN 0.481 nan 8.360 nan 0.000 0.486 279 G N 2.686 111.479 108.800 -0.013 0.000 2.217 279 G HA2 -0.326 3.635 3.960 0.001 0.000 0.246 279 G HA3 -0.326 3.635 3.960 0.001 0.000 0.246 279 G C 0.173 175.057 174.900 -0.026 0.000 0.990 279 G CA 0.110 45.192 45.100 -0.031 0.000 0.627 279 G HN 0.418 nan 8.290 nan 0.000 0.522 280 K N -0.259 120.137 120.400 -0.007 0.000 2.126 280 K HA 0.557 4.878 4.320 0.001 0.000 0.257 280 K C -0.263 176.349 176.600 0.019 0.000 1.007 280 K CA -0.670 55.617 56.287 0.001 0.000 0.928 280 K CB 0.971 33.485 32.500 0.023 0.000 1.013 280 K HN 0.100 nan 8.250 nan 0.000 0.473 281 F N 0.780 120.653 119.950 -0.128 0.000 2.371 281 F HA 0.444 4.972 4.527 0.001 0.000 0.329 281 F C -0.551 175.092 175.800 -0.263 0.000 1.107 281 F CA -0.257 57.637 58.000 -0.177 0.000 1.137 281 F CB 1.074 39.946 39.000 -0.214 0.000 1.214 281 F HN 0.526 nan 8.300 nan 0.000 0.536 282 A N 4.504 126.698 122.820 -1.044 0.000 2.488 282 A HA 0.301 4.622 4.320 0.001 0.000 0.295 282 A C -0.145 176.927 177.584 -0.854 0.000 1.045 282 A CA -0.621 50.966 52.037 -0.751 0.000 0.703 282 A CB 0.901 19.599 19.000 -0.503 0.000 1.271 282 A HN 0.782 nan 8.150 nan 0.000 0.400 283 D N 0.544 120.686 120.400 -0.430 0.000 2.149 283 D HA 0.071 4.712 4.640 0.001 0.000 0.201 283 D C 0.270 176.721 176.300 0.252 0.000 0.972 283 D CA 2.275 56.248 54.000 -0.044 0.000 0.835 283 D CB 0.224 41.061 40.800 0.061 0.000 0.966 283 D HN 0.742 nan 8.370 nan 0.000 0.476 284 W N -0.300 120.867 121.300 -0.222 0.000 2.982 284 W HA 0.307 4.968 4.660 0.001 0.000 0.344 284 W C -1.595 174.851 176.519 -0.122 0.000 1.215 284 W CA -0.893 56.402 57.345 -0.083 0.000 1.182 284 W CB 0.303 29.825 29.460 0.104 0.000 1.437 284 W HN -0.324 nan 8.180 nan 0.000 0.570 285 T N 0.038 114.459 114.554 -0.222 0.000 2.767 285 T HA 0.225 4.576 4.350 0.001 0.000 0.284 285 T C -0.453 174.114 174.700 -0.221 0.000 0.973 285 T CA -0.450 61.424 62.100 -0.377 0.000 0.996 285 T CB 1.061 69.801 68.868 -0.212 0.000 0.927 285 T HN 0.661 nan 8.240 nan 0.000 0.456 286 H N 5.281 124.106 119.070 -0.408 0.000 3.046 286 H HA 0.094 4.651 4.556 0.001 0.000 0.303 286 H C -1.685 173.594 175.328 -0.081 0.000 1.002 286 H CA -1.491 54.526 56.048 -0.052 0.000 1.460 286 H CB 1.362 31.084 29.762 -0.067 0.000 1.493 286 H HN 0.434 nan 8.280 nan 0.000 0.559 287 P HA 0.012 nan 4.420 nan 0.000 0.236 287 P C 0.831 177.968 177.300 -0.270 0.000 1.177 287 P CA 0.749 63.809 63.100 -0.068 0.000 0.773 287 P CB 0.281 32.002 31.700 0.034 0.000 0.878 288 A N 0.966 123.539 122.820 -0.411 0.000 1.861 288 A HA -0.042 4.279 4.320 0.001 0.000 0.212 288 A C 2.310 179.512 177.584 -0.636 0.000 1.199 288 A CA 1.774 53.177 52.037 -1.057 0.000 0.613 288 A CB -1.147 17.073 19.000 -1.300 0.000 0.846 288 A HN 0.313 nan 8.150 nan 0.000 0.446 289 S N -1.670 113.871 115.700 -0.265 0.000 2.501 289 S HA 0.068 4.538 4.470 0.001 0.000 0.220 289 S C 0.613 175.122 174.600 -0.152 0.000 0.997 289 S CA 0.739 58.821 58.200 -0.197 0.000 0.919 289 S CB 0.032 63.162 63.200 -0.117 0.000 0.778 289 S HN 0.392 nan 8.310 nan 0.000 0.523 290 K N 0.940 121.267 120.400 -0.122 0.000 3.230 290 K HA -0.106 4.215 4.320 0.001 0.000 0.285 290 K C -0.727 175.760 176.600 -0.188 0.000 1.196 290 K CA 0.969 57.180 56.287 -0.126 0.000 0.838 290 K CB -3.109 29.327 32.500 -0.107 0.000 1.262 290 K HN 0.565 nan 8.250 nan 0.000 0.492 291 T N 2.684 117.123 114.554 -0.191 0.000 2.771 291 T HA 0.330 4.681 4.350 0.001 0.000 0.291 291 T C -2.467 171.978 174.700 -0.425 0.000 0.954 291 T CA -1.427 60.492 62.100 -0.302 0.000 1.045 291 T CB 1.473 70.188 68.868 -0.254 0.000 0.917 291 T HN -0.111 nan 8.240 nan 0.000 0.484 292 P HA 0.170 nan 4.420 nan 0.000 0.269 292 P C -0.459 176.499 177.300 -0.570 0.000 1.263 292 P CA -0.157 62.560 63.100 -0.637 0.000 0.813 292 P CB 0.210 31.403 31.700 -0.845 0.000 0.868 293 M N 3.813 122.974 119.600 -0.732 0.000 2.423 293 M HA 0.418 4.899 4.480 0.001 0.000 0.335 293 M C 0.291 176.230 176.300 -0.601 0.000 1.177 293 M CA -0.835 53.999 55.300 -0.776 0.000 1.038 293 M CB 0.800 32.478 32.600 -1.537 0.000 1.641 293 M HN 0.160 nan 8.290 nan 0.000 0.455 294 I N 1.735 122.103 120.570 -0.337 0.000 2.428 294 I HA 0.342 4.512 4.170 0.001 0.000 0.296 294 I C 0.118 176.201 176.117 -0.056 0.000 0.985 294 I CA -0.730 60.439 61.300 -0.218 0.000 1.260 294 I CB 1.264 39.129 38.000 -0.225 0.000 1.389 294 I HN 0.518 nan 8.210 nan 0.000 0.484 295 K N 4.647 125.002 120.400 -0.074 0.000 2.206 295 K HA 0.717 5.037 4.320 0.001 0.000 0.264 295 K C -0.909 175.591 176.600 -0.167 0.000 0.967 295 K CA -0.312 55.876 56.287 -0.165 0.000 0.844 295 K CB 1.550 33.787 32.500 -0.439 0.000 1.099 295 K HN 0.676 nan 8.250 nan 0.000 0.441 296 A N 3.897 126.589 122.820 -0.213 0.000 2.303 296 A HA 0.632 4.953 4.320 0.001 0.000 0.317 296 A C -1.107 176.236 177.584 -0.402 0.000 1.149 296 A CA -0.513 51.373 52.037 -0.251 0.000 0.822 296 A CB 0.761 19.540 19.000 -0.368 0.000 1.131 296 A HN 0.717 nan 8.150 nan 0.000 0.493 297 Q N 0.267 119.807 119.800 -0.433 0.000 2.331 297 Q HA 0.448 4.789 4.340 0.001 0.000 0.272 297 Q C -0.993 174.636 176.000 -0.617 0.000 1.062 297 Q CA -0.649 54.782 55.803 -0.620 0.000 0.806 297 Q CB 1.445 29.693 28.738 -0.817 0.000 1.312 297 Q HN 0.949 nan 8.270 nan 0.000 0.431 298 H N -0.851 118.259 119.070 0.066 0.000 1.736 298 H HA -0.149 4.408 4.556 0.001 0.000 0.327 298 H C -2.163 173.195 175.328 0.050 0.000 0.823 298 H CA 0.042 56.152 56.048 0.102 0.000 1.082 298 H CB -1.192 28.671 29.762 0.169 0.000 1.537 298 H HN 0.351 nan 8.280 nan 0.000 0.284 299 P HA 0.077 nan 4.420 nan 0.000 0.212 299 P C 0.210 177.523 177.300 0.021 0.000 1.816 299 P CA -0.212 62.851 63.100 -0.062 0.000 0.944 299 P CB 0.586 32.024 31.700 -0.436 0.000 1.896 300 E N -0.224 120.069 120.200 0.155 0.000 2.058 300 E HA -0.219 4.132 4.350 0.001 0.000 0.194 300 E C 1.561 178.206 176.600 0.075 0.000 0.997 300 E CA 1.539 58.021 56.400 0.137 0.000 0.801 300 E CB -0.880 28.881 29.700 0.101 0.000 0.746 300 E HN 0.304 nan 8.360 nan 0.000 0.450 301 Y N 1.460 121.748 120.300 -0.021 0.000 2.097 301 Y HA -0.274 4.277 4.550 0.001 0.000 0.282 301 Y C 1.860 177.686 175.900 -0.124 0.000 1.152 301 Y CA 2.176 60.244 58.100 -0.053 0.000 1.136 301 Y CB -0.031 38.392 38.460 -0.062 0.000 0.975 301 Y HN 0.023 nan 8.280 nan 0.000 0.498 302 E N -1.369 118.774 120.200 -0.094 0.000 2.208 302 E HA -0.106 4.245 4.350 0.001 0.000 0.193 302 E C 2.072 178.610 176.600 -0.104 0.000 0.988 302 E CA 1.585 57.852 56.400 -0.221 0.000 0.828 302 E CB -0.365 29.355 29.700 0.034 0.000 0.763 302 E HN 0.392 nan 8.360 nan 0.000 0.478 303 T N 0.024 114.575 114.554 -0.006 0.000 2.770 303 T HA -0.142 4.209 4.350 0.001 0.000 0.263 303 T C 1.368 176.063 174.700 -0.008 0.000 1.039 303 T CA 1.124 63.267 62.100 0.073 0.000 1.142 303 T CB -0.441 68.511 68.868 0.140 0.000 0.868 303 T HN 0.449 nan 8.240 nan 0.000 0.435 304 W N 1.742 122.881 121.300 -0.268 0.000 2.388 304 W HA 0.059 4.720 4.660 0.001 0.000 0.294 304 W C 1.820 178.102 176.519 -0.394 0.000 1.212 304 W CA 0.223 57.364 57.345 -0.341 0.000 1.271 304 W CB -0.491 28.678 29.460 -0.486 0.000 1.126 304 W HN 0.198 nan 8.180 nan 0.000 0.535 305 I N 2.427 122.497 120.570 -0.833 0.000 2.264 305 I HA -0.346 3.824 4.170 0.001 0.000 0.248 305 I C 1.142 176.694 176.117 -0.941 0.000 1.111 305 I CA 2.218 62.734 61.300 -1.307 0.000 1.382 305 I CB -0.363 36.900 38.000 -1.228 0.000 1.060 305 I HN 0.206 nan 8.210 nan 0.000 0.418 306 N N 0.140 118.483 118.700 -0.593 0.000 2.328 306 N HA 0.180 4.921 4.740 0.001 0.000 0.247 306 N C 0.129 175.450 175.510 -0.315 0.000 1.165 306 N CA -0.048 52.768 53.050 -0.390 0.000 0.873 306 N CB -0.183 38.166 38.487 -0.230 0.000 1.125 306 N HN 0.185 nan 8.380 nan 0.000 0.513 307 G N -0.555 108.015 108.800 -0.383 0.000 2.528 307 G HA2 0.264 4.225 3.960 0.001 0.000 0.289 307 G HA3 0.264 4.225 3.960 0.001 0.000 0.289 307 G C 1.007 175.749 174.900 -0.264 0.000 1.192 307 G CA -0.036 44.911 45.100 -0.255 0.000 0.921 307 G HN 0.165 nan 8.290 nan 0.000 0.512 308 T N -1.693 112.729 114.554 -0.220 0.000 2.778 308 T HA -0.246 4.104 4.350 0.001 0.000 0.269 308 T C 1.789 176.314 174.700 -0.291 0.000 1.050 308 T CA 2.443 64.390 62.100 -0.255 0.000 1.137 308 T CB -0.441 68.265 68.868 -0.270 0.000 0.860 308 T HN 0.596 nan 8.240 nan 0.000 0.468 309 H N -0.103 118.859 119.070 -0.180 0.000 2.306 309 H HA 0.327 4.883 4.556 0.001 0.000 0.307 309 H C 2.691 177.905 175.328 -0.189 0.000 1.061 309 H CA 1.120 57.111 56.048 -0.094 0.000 1.359 309 H CB -0.652 29.127 29.762 0.028 0.000 1.407 309 H HN 0.457 nan 8.280 nan 0.000 0.517 310 G N 0.452 109.002 108.800 -0.416 0.000 2.440 310 G HA2 -0.325 3.636 3.960 0.001 0.000 0.218 310 G HA3 -0.325 3.636 3.960 0.001 0.000 0.218 310 G C 1.877 176.392 174.900 -0.640 0.000 1.154 310 G CA 0.938 45.413 45.100 -1.042 0.000 0.767 310 G HN 0.500 nan 8.290 nan 0.000 0.552 311 A N 0.714 123.248 122.820 -0.476 0.000 2.032 311 A HA 0.271 4.592 4.320 0.001 0.000 0.221 311 A C 2.419 179.885 177.584 -0.197 0.000 1.165 311 A CA 2.142 53.991 52.037 -0.312 0.000 0.645 311 A CB -0.384 18.471 19.000 -0.241 0.000 0.807 311 A HN 0.969 nan 8.150 nan 0.000 0.453 312 A N -1.935 120.792 122.820 -0.155 0.000 2.460 312 A HA 0.468 4.789 4.320 0.001 0.000 0.258 312 A C 1.515 179.085 177.584 -0.025 0.000 1.300 312 A CA 0.903 52.894 52.037 -0.077 0.000 0.913 312 A CB -0.938 18.023 19.000 -0.064 0.000 1.031 312 A HN 1.868 nan 8.150 nan 0.000 0.512 313 G N -1.024 107.756 108.800 -0.033 0.000 2.143 313 G HA2 -0.198 3.762 3.960 0.001 0.000 0.248 313 G HA3 -0.198 3.762 3.960 0.001 0.000 0.248 313 G C 0.100 175.086 174.900 0.144 0.000 0.991 313 G CA 0.218 45.350 45.100 0.053 0.000 0.689 313 G HN 0.841 nan 8.290 nan 0.000 0.522 314 V N 1.049 121.074 119.914 0.184 0.000 2.406 314 V HA 0.602 4.723 4.120 0.001 0.000 0.272 314 V C 0.831 177.194 176.094 0.449 0.000 1.043 314 V CA 0.201 62.661 62.300 0.268 0.000 0.915 314 V CB 1.415 33.426 31.823 0.313 0.000 0.988 314 V HN 0.295 nan 8.190 nan 0.000 0.466 315 T N 3.447 118.150 114.554 0.248 0.000 2.925 315 T HA 0.212 4.563 4.350 0.001 0.000 0.285 315 T C 1.227 175.831 174.700 -0.161 0.000 1.021 315 T CA -0.479 61.671 62.100 0.083 0.000 1.042 315 T CB 1.392 70.289 68.868 0.049 0.000 1.037 315 T HN 0.835 nan 8.240 nan 0.000 0.481 316 C N 1.651 120.658 119.300 -0.488 0.000 2.398 316 C HA -0.112 4.349 4.460 0.001 0.000 0.276 316 C C 2.953 177.879 174.990 -0.107 0.000 1.222 316 C CA 0.978 59.788 59.018 -0.346 0.000 1.746 316 C CB -1.570 25.894 27.740 -0.459 0.000 2.039 316 C HN 0.995 nan 8.230 nan 0.000 0.470 317 A N 0.886 123.633 122.820 -0.122 0.000 1.972 317 A HA -0.179 4.142 4.320 0.001 0.000 0.219 317 A C 1.754 179.276 177.584 -0.102 0.000 1.169 317 A CA 2.044 54.038 52.037 -0.072 0.000 0.635 317 A CB -0.579 18.376 19.000 -0.075 0.000 0.810 317 A HN 0.552 nan 8.150 nan 0.000 0.446 318 D N -0.667 119.677 120.400 -0.094 0.000 2.182 318 D HA -0.122 4.519 4.640 0.001 0.000 0.201 318 D C 1.799 178.039 176.300 -0.099 0.000 0.986 318 D CA 1.522 55.463 54.000 -0.098 0.000 0.847 318 D CB -0.274 40.512 40.800 -0.023 0.000 0.942 318 D HN 0.507 nan 8.370 nan 0.000 0.467 319 C N -1.261 117.989 119.300 -0.083 0.000 2.535 319 C HA 0.128 4.589 4.460 0.001 0.000 0.310 319 C C 2.120 176.971 174.990 -0.232 0.000 1.344 319 C CA -0.213 58.715 59.018 -0.150 0.000 1.831 319 C CB -0.386 27.257 27.740 -0.162 0.000 2.284 319 C HN 0.430 nan 8.230 nan 0.000 0.523 320 H N -0.580 118.440 119.070 -0.083 0.000 2.575 320 H HA 0.292 4.849 4.556 0.002 0.000 0.267 320 H C 0.747 176.046 175.328 -0.048 0.000 0.966 320 H CA 0.731 56.744 56.048 -0.058 0.000 1.165 320 H CB 0.282 30.039 29.762 -0.008 0.000 1.433 320 H HN 0.431 nan 8.280 nan 0.000 0.544 321 M N 1.519 121.126 119.600 0.012 0.000 3.189 321 M HA 0.112 4.592 4.480 0.001 0.000 0.365 321 M C 0.124 176.330 176.300 -0.158 0.000 1.447 321 M CA -0.289 54.966 55.300 -0.074 0.000 0.739 321 M CB 1.008 33.575 32.600 -0.055 0.000 1.411 321 M HN -0.035 nan 8.290 nan 0.000 0.494 322 S N -0.515 115.099 115.700 -0.143 0.000 2.579 322 S HA 0.321 4.792 4.470 0.001 0.000 0.275 322 S C -0.328 174.212 174.600 -0.100 0.000 1.345 322 S CA -0.291 57.795 58.200 -0.191 0.000 1.031 322 S CB 0.518 63.657 63.200 -0.102 0.000 0.892 322 S HN 0.306 nan 8.310 nan 0.000 0.529 323 Y N 0.786 121.107 120.300 0.035 0.000 2.497 323 Y HA 0.430 4.981 4.550 0.001 0.000 0.334 323 Y C 1.254 177.181 175.900 0.045 0.000 1.199 323 Y CA -0.087 58.040 58.100 0.046 0.000 1.425 323 Y CB 0.306 38.795 38.460 0.049 0.000 1.291 323 Y HN 0.822 nan 8.280 nan 0.000 0.562 324 T N 3.990 118.679 114.554 0.225 0.000 2.921 324 T HA 0.465 4.816 4.350 0.001 0.000 0.297 324 T C -0.603 174.166 174.700 0.116 0.000 1.013 324 T CA -1.047 61.138 62.100 0.141 0.000 0.990 324 T CB 0.500 69.439 68.868 0.118 0.000 1.023 324 T HN 0.671 nan 8.240 nan 0.000 0.447 325 R N 3.601 124.154 120.500 0.088 0.000 3.235 325 R HA 0.260 4.600 4.340 0.001 0.000 0.232 325 R C 1.212 177.544 176.300 0.053 0.000 1.475 325 R CA -0.202 55.936 56.100 0.063 0.000 1.405 325 R CB 0.051 30.382 30.300 0.051 0.000 1.266 325 R HN 0.700 nan 8.270 nan 0.000 0.650 326 S N -1.064 114.670 115.700 0.056 0.000 2.511 326 S HA -0.011 4.459 4.470 0.001 0.000 0.214 326 S C 0.402 175.023 174.600 0.035 0.000 0.997 326 S CA -0.266 57.960 58.200 0.043 0.000 0.908 326 S CB 0.334 63.561 63.200 0.045 0.000 0.803 326 S HN 0.331 nan 8.310 nan 0.000 0.504 327 D N 2.041 122.464 120.400 0.039 0.000 2.473 327 D HA 0.348 4.989 4.640 0.001 0.000 0.226 327 D C 0.008 176.324 176.300 0.028 0.000 1.089 327 D CA 0.010 54.030 54.000 0.034 0.000 0.883 327 D CB 0.296 41.122 40.800 0.043 0.000 1.029 327 D HN -0.004 nan 8.370 nan 0.000 0.517 328 D N 2.279 122.692 120.400 0.022 0.000 3.574 328 D HA -0.253 4.388 4.640 0.001 0.000 0.153 328 D C 0.396 176.709 176.300 0.021 0.000 0.965 328 D CA 0.889 54.900 54.000 0.018 0.000 1.047 328 D CB -0.212 40.597 40.800 0.015 0.000 0.492 328 D HN 0.381 nan 8.370 nan 0.000 0.492 329 K N 1.398 121.809 120.400 0.019 0.000 2.440 329 K HA 0.229 4.550 4.320 0.001 0.000 0.206 329 K C -0.046 176.566 176.600 0.020 0.000 1.025 329 K CA 0.137 56.437 56.287 0.021 0.000 1.135 329 K CB 0.286 32.796 32.500 0.018 0.000 0.856 329 K HN 0.273 nan 8.250 nan 0.000 0.502 330 K N 1.223 121.635 120.400 0.020 0.000 2.174 330 K HA 0.210 4.531 4.320 0.001 0.000 0.275 330 K C -0.012 176.600 176.600 0.020 0.000 1.015 330 K CA -0.322 55.974 56.287 0.014 0.000 0.933 330 K CB 1.177 33.687 32.500 0.016 0.000 1.025 330 K HN -0.151 nan 8.250 nan 0.000 0.463 331 K N 2.731 123.127 120.400 -0.007 0.000 2.401 331 K HA 0.145 4.466 4.320 0.001 0.000 0.278 331 K C 0.158 176.772 176.600 0.024 0.000 1.018 331 K CA 0.037 56.319 56.287 -0.008 0.000 0.981 331 K CB 0.203 32.609 32.500 -0.157 0.000 0.933 331 K HN 0.502 nan 8.250 nan 0.000 0.477 332 I N -1.952 118.678 120.570 0.100 0.000 3.042 332 I HA 0.383 4.554 4.170 0.001 0.000 0.310 332 I C -0.623 175.653 176.117 0.264 0.000 1.117 332 I CA -0.799 60.593 61.300 0.153 0.000 1.003 332 I CB 2.405 40.486 38.000 0.134 0.000 1.228 332 I HN 0.200 nan 8.210 nan 0.000 0.443 333 S N 2.507 118.399 115.700 0.321 0.000 2.439 333 S HA 0.225 4.696 4.470 0.001 0.000 0.282 333 S C 0.050 174.796 174.600 0.243 0.000 1.170 333 S CA -0.407 57.990 58.200 0.328 0.000 1.054 333 S CB 0.752 64.139 63.200 0.311 0.000 0.956 333 S HN 0.697 nan 8.310 nan 0.000 0.490 334 S N 1.973 117.746 115.700 0.121 0.000 2.544 334 S HA 0.003 4.474 4.470 0.001 0.000 0.290 334 S C 0.152 174.679 174.600 -0.121 0.000 1.276 334 S CA -0.028 58.208 58.200 0.060 0.000 1.075 334 S CB 0.004 63.232 63.200 0.046 0.000 0.849 334 S HN 0.729 nan 8.310 nan 0.000 0.494 335 H N 3.142 122.052 119.070 -0.265 0.000 2.486 335 H HA 0.247 4.804 4.556 0.001 0.000 0.284 335 H C -0.979 173.782 175.328 -0.944 0.000 1.103 335 H CA -0.340 55.284 56.048 -0.707 0.000 1.089 335 H CB 0.155 29.643 29.762 -0.456 0.000 1.603 335 H HN 0.643 nan 8.280 nan 0.000 0.557 336 W N 2.105 123.036 121.300 -0.615 0.000 2.360 336 W HA 0.206 4.866 4.660 0.001 0.000 0.344 336 W C -1.128 175.169 176.519 -0.370 0.000 1.025 336 W CA -1.674 55.410 57.345 -0.434 0.000 1.480 336 W CB -0.004 29.331 29.460 -0.210 0.000 1.350 336 W HN 0.207 nan 8.180 nan 0.000 0.382 337 W N 7.177 128.510 121.300 0.055 0.000 2.367 337 W HA 0.357 5.018 4.660 0.002 0.000 0.329 337 W C 0.383 176.747 176.519 -0.258 0.000 1.066 337 W CA -0.308 56.941 57.345 -0.161 0.000 1.435 337 W CB 0.288 29.546 29.460 -0.337 0.000 1.296 337 W HN 0.229 nan 8.180 nan 0.000 0.401 338 T N 0.817 115.287 114.554 -0.139 0.000 2.606 338 T HA 0.223 4.574 4.350 0.001 0.000 0.280 338 T C -0.534 174.089 174.700 -0.128 0.000 1.074 338 T CA -0.329 61.623 62.100 -0.246 0.000 1.140 338 T CB 1.108 69.571 68.868 -0.676 0.000 1.631 338 T HN 0.041 nan 8.240 nan 0.000 0.464 339 S N 1.256 116.822 115.700 -0.224 0.000 2.489 339 S HA 0.432 4.902 4.470 0.001 0.000 0.277 339 S C -1.832 172.587 174.600 -0.302 0.000 1.230 339 S CA -1.299 56.798 58.200 -0.172 0.000 1.053 339 S CB 0.964 64.088 63.200 -0.127 0.000 0.955 339 S HN 0.437 nan 8.310 nan 0.000 0.488 340 P HA -0.054 nan 4.420 nan 0.000 0.223 340 P C 0.956 178.114 177.300 -0.236 0.000 1.144 340 P CA 1.149 64.057 63.100 -0.321 0.000 0.783 340 P CB 0.074 31.561 31.700 -0.353 0.000 0.771 341 M N -1.594 117.881 119.600 -0.208 0.000 2.563 341 M HA 0.041 4.522 4.480 0.001 0.000 0.231 341 M C 1.302 177.535 176.300 -0.112 0.000 1.136 341 M CA 0.865 56.075 55.300 -0.150 0.000 1.026 341 M CB -0.370 32.149 32.600 -0.135 0.000 1.597 341 M HN 0.034 nan 8.290 nan 0.000 0.495 342 K N 0.384 120.696 120.400 -0.147 0.000 2.243 342 K HA -0.042 4.279 4.320 0.001 0.000 0.201 342 K C 0.344 176.925 176.600 -0.031 0.000 1.051 342 K CA 0.477 56.708 56.287 -0.093 0.000 0.970 342 K CB 0.114 32.510 32.500 -0.175 0.000 0.755 342 K HN 0.174 nan 8.250 nan 0.000 0.465 343 D N 1.560 121.926 120.400 -0.057 0.000 2.347 343 D HA 0.043 4.684 4.640 0.001 0.000 0.235 343 D C -1.664 174.630 176.300 -0.010 0.000 1.149 343 D CA -2.435 51.563 54.000 -0.002 0.000 0.850 343 D CB 1.384 42.179 40.800 -0.008 0.000 1.061 343 D HN -0.109 nan 8.370 nan 0.000 0.487 344 P HA -0.103 nan 4.420 nan 0.000 0.225 344 P C 0.304 177.610 177.300 0.009 0.000 1.148 344 P CA 0.740 63.844 63.100 0.006 0.000 0.779 344 P CB 0.489 32.199 31.700 0.017 0.000 0.780 345 E N -0.767 119.441 120.200 0.014 0.000 2.463 345 E HA 0.165 4.515 4.350 0.001 0.000 0.193 345 E C 0.912 177.521 176.600 0.015 0.000 1.041 345 E CA -0.366 56.045 56.400 0.020 0.000 0.879 345 E CB -0.311 29.406 29.700 0.028 0.000 0.997 345 E HN 0.094 nan 8.360 nan 0.000 0.478 346 M N 0.136 119.733 119.600 -0.005 0.000 2.282 346 M HA -0.318 4.163 4.480 0.001 0.000 0.199 346 M C 1.133 177.434 176.300 0.001 0.000 0.349 346 M CA 0.609 55.896 55.300 -0.020 0.000 0.416 346 M CB -1.651 30.938 32.600 -0.018 0.000 1.366 346 M HN 0.186 nan 8.290 nan 0.000 0.907 347 R N 0.228 120.733 120.500 0.009 0.000 2.127 347 R HA -0.054 4.287 4.340 0.001 0.000 0.238 347 R C 2.046 178.361 176.300 0.025 0.000 1.134 347 R CA 1.734 57.850 56.100 0.027 0.000 0.975 347 R CB 0.030 30.352 30.300 0.036 0.000 0.865 347 R HN 0.609 nan 8.270 nan 0.000 0.447 348 A N -0.086 122.730 122.820 -0.007 0.000 1.978 348 A HA -0.191 4.130 4.320 0.001 0.000 0.220 348 A C 2.219 179.812 177.584 0.014 0.000 1.170 348 A CA 1.635 53.658 52.037 -0.023 0.000 0.636 348 A CB -0.480 18.468 19.000 -0.087 0.000 0.810 348 A HN 0.543 nan 8.150 nan 0.000 0.448 349 C N -1.624 117.702 119.300 0.044 0.000 2.590 349 C HA 0.203 4.664 4.460 0.001 0.000 0.272 349 C C 2.128 177.227 174.990 0.182 0.000 1.338 349 C CA -0.158 58.946 59.018 0.142 0.000 1.746 349 C CB -0.929 26.884 27.740 0.122 0.000 2.020 349 C HN 0.499 nan 8.230 nan 0.000 0.531 350 R N 1.105 121.671 120.500 0.110 0.000 2.363 350 R HA 0.055 4.396 4.340 0.001 0.000 0.236 350 R C 1.426 177.774 176.300 0.079 0.000 0.966 350 R CA 0.326 56.489 56.100 0.106 0.000 1.100 350 R CB 0.033 30.379 30.300 0.077 0.000 1.125 350 R HN 0.616 nan 8.270 nan 0.000 0.514 351 Q N -0.763 119.078 119.800 0.067 0.000 2.304 351 Q HA 0.016 4.357 4.340 0.001 0.000 0.204 351 Q C 2.049 178.054 176.000 0.008 0.000 0.936 351 Q CA 0.759 56.588 55.803 0.044 0.000 0.878 351 Q CB -0.242 28.526 28.738 0.051 0.000 0.983 351 Q HN 0.246 nan 8.270 nan 0.000 0.516 352 C N 0.745 120.031 119.300 -0.023 0.000 2.450 352 C HA -0.044 4.417 4.460 0.001 0.000 0.279 352 C C 1.265 176.057 174.990 -0.330 0.000 1.335 352 C CA 0.309 59.221 59.018 -0.175 0.000 1.749 352 C CB -0.657 26.948 27.740 -0.226 0.000 1.963 352 C HN 0.415 nan 8.230 nan 0.000 0.501 353 H N -0.074 119.038 119.070 0.069 0.000 2.412 353 H HA 0.144 4.701 4.556 0.001 0.000 0.239 353 H C 1.307 176.662 175.328 0.044 0.000 1.388 353 H CA 0.339 56.426 56.048 0.066 0.000 1.148 353 H CB 0.062 29.887 29.762 0.105 0.000 1.637 353 H HN 0.494 nan 8.280 nan 0.000 0.542 354 S N -0.237 115.511 115.700 0.081 0.000 2.603 354 S HA -0.119 4.351 4.470 0.001 0.000 0.229 354 S C 1.196 175.821 174.600 0.041 0.000 0.972 354 S CA 0.611 58.846 58.200 0.058 0.000 0.935 354 S CB 0.054 63.275 63.200 0.034 0.000 0.769 354 S HN 0.523 nan 8.310 nan 0.000 0.536 355 D N 0.059 120.481 120.400 0.037 0.000 2.367 355 D HA 0.081 4.722 4.640 0.001 0.000 0.207 355 D C 0.161 176.439 176.300 -0.036 0.000 1.034 355 D CA 0.016 54.014 54.000 -0.003 0.000 0.861 355 D CB 0.109 40.898 40.800 -0.018 0.000 0.943 355 D HN 0.174 nan 8.370 nan 0.000 0.515 356 K N 1.460 121.861 120.400 0.001 0.000 2.156 356 K HA 0.318 4.639 4.320 0.001 0.000 0.250 356 K C 0.463 177.095 176.600 0.055 0.000 0.955 356 K CA -0.465 55.800 56.287 -0.037 0.000 0.855 356 K CB 1.614 34.135 32.500 0.035 0.000 1.101 356 K HN 0.104 nan 8.250 nan 0.000 0.434 357 T N -1.660 112.940 114.554 0.076 0.000 2.904 357 T HA 0.221 4.572 4.350 0.001 0.000 0.290 357 T C -1.785 172.985 174.700 0.116 0.000 1.018 357 T CA -1.649 60.504 62.100 0.089 0.000 1.075 357 T CB 1.035 69.951 68.868 0.080 0.000 0.986 357 T HN 0.116 nan 8.240 nan 0.000 0.523 358 P HA -0.127 nan 4.420 nan 0.000 0.216 358 P C 1.026 178.354 177.300 0.046 0.000 1.154 358 P CA 1.167 64.298 63.100 0.051 0.000 0.865 358 P CB 0.008 31.727 31.700 0.032 0.000 0.789 359 D N -2.091 118.344 120.400 0.058 0.000 2.144 359 D HA -0.187 4.454 4.640 0.001 0.000 0.199 359 D C 1.904 178.234 176.300 0.050 0.000 0.984 359 D CA 1.059 55.086 54.000 0.045 0.000 0.834 359 D CB -1.079 39.750 40.800 0.050 0.000 0.955 359 D HN 0.240 nan 8.370 nan 0.000 0.465 360 Y N 1.484 121.782 120.300 -0.003 0.000 2.128 360 Y HA -0.191 4.360 4.550 0.002 0.000 0.284 360 Y C 2.178 178.066 175.900 -0.019 0.000 1.154 360 Y CA 1.397 59.493 58.100 -0.006 0.000 1.149 360 Y CB -0.365 38.092 38.460 -0.005 0.000 0.976 360 Y HN -0.094 nan 8.280 nan 0.000 0.505 361 L N 0.095 121.346 121.223 0.047 0.000 2.046 361 L HA -0.241 4.100 4.340 0.001 0.000 0.208 361 L C 2.498 179.282 176.870 -0.143 0.000 1.077 361 L CA 1.655 56.461 54.840 -0.058 0.000 0.747 361 L CB -0.562 41.493 42.059 -0.005 0.000 0.896 361 L HN 0.145 nan 8.230 nan 0.000 0.432 362 K N 0.006 120.343 120.400 -0.105 0.000 2.063 362 K HA -0.175 4.146 4.320 0.001 0.000 0.208 362 K C 2.337 178.876 176.600 -0.102 0.000 1.048 362 K CA 1.833 58.057 56.287 -0.105 0.000 0.928 362 K CB -0.314 32.149 32.500 -0.063 0.000 0.713 362 K HN 0.393 nan 8.250 nan 0.000 0.442 363 S N 0.762 116.389 115.700 -0.122 0.000 2.447 363 S HA -0.058 4.412 4.470 0.001 0.000 0.233 363 S C 1.859 176.398 174.600 -0.101 0.000 1.006 363 S CA 0.613 58.754 58.200 -0.098 0.000 0.957 363 S CB -0.020 63.112 63.200 -0.113 0.000 0.773 363 S HN 0.150 nan 8.310 nan 0.000 0.507 364 R N 0.799 121.168 120.500 -0.217 0.000 2.140 364 R HA 0.288 4.628 4.340 0.001 0.000 0.213 364 R C 2.326 178.648 176.300 0.035 0.000 1.059 364 R CA 0.811 56.817 56.100 -0.157 0.000 1.000 364 R CB -1.474 28.648 30.300 -0.297 0.000 0.910 364 R HN 0.439 nan 8.270 nan 0.000 0.455 365 V N 1.790 121.685 119.914 -0.032 0.000 2.295 365 V HA -0.203 3.918 4.120 0.001 0.000 0.246 365 V C 2.420 178.530 176.094 0.028 0.000 1.049 365 V CA 1.606 63.876 62.300 -0.050 0.000 1.024 365 V CB -0.497 31.125 31.823 -0.336 0.000 0.648 365 V HN 0.175 nan 8.190 nan 0.000 0.447 366 L N -1.478 119.756 121.223 0.019 0.000 2.201 366 L HA -0.139 4.202 4.340 0.001 0.000 0.212 366 L C 2.349 179.257 176.870 0.063 0.000 1.105 366 L CA 1.335 56.200 54.840 0.041 0.000 0.775 366 L CB -0.620 41.474 42.059 0.059 0.000 0.913 366 L HN 0.303 nan 8.230 nan 0.000 0.440 367 F N 1.101 121.031 119.950 -0.033 0.000 2.120 367 F HA -0.303 4.224 4.527 0.001 0.000 0.300 367 F C 2.453 178.248 175.800 -0.009 0.000 1.095 367 F CA 2.225 60.212 58.000 -0.022 0.000 1.249 367 F CB -0.160 38.819 39.000 -0.034 0.000 0.995 367 F HN -0.039 nan 8.300 nan 0.000 0.480 368 T N -0.368 114.315 114.554 0.215 0.000 2.770 368 T HA -0.146 4.205 4.350 0.001 0.000 0.258 368 T C 1.865 176.554 174.700 -0.018 0.000 1.039 368 T CA 1.300 63.475 62.100 0.125 0.000 1.143 368 T CB -0.252 68.732 68.868 0.193 0.000 0.866 368 T HN 0.319 nan 8.240 nan 0.000 0.428 369 Q N 0.859 120.609 119.800 -0.082 0.000 2.061 369 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 369 Q C 2.417 178.150 176.000 -0.445 0.000 0.984 369 Q CA 1.217 56.823 55.803 -0.328 0.000 0.846 369 Q CB -0.199 28.247 28.738 -0.485 0.000 0.902 369 Q HN 0.379 nan 8.270 nan 0.000 0.421 370 K N 1.023 121.268 120.400 -0.257 0.000 2.057 370 K HA -0.169 4.152 4.320 0.001 0.000 0.207 370 K C 2.060 178.632 176.600 -0.047 0.000 1.049 370 K CA 1.143 57.378 56.287 -0.086 0.000 0.931 370 K CB 0.064 32.566 32.500 0.004 0.000 0.714 370 K HN 0.073 nan 8.250 nan 0.000 0.440 371 R N -0.405 120.035 120.500 -0.100 0.000 2.075 371 R HA -0.053 4.288 4.340 0.001 0.000 0.232 371 R C 2.355 178.637 176.300 -0.031 0.000 1.126 371 R CA 1.828 57.882 56.100 -0.077 0.000 0.963 371 R CB -0.258 29.971 30.300 -0.117 0.000 0.858 371 R HN 0.220 nan 8.270 nan 0.000 0.435 372 T N 0.696 115.230 114.554 -0.033 0.000 2.701 372 T HA -0.149 4.202 4.350 0.001 0.000 0.263 372 T C 1.408 176.120 174.700 0.020 0.000 1.040 372 T CA 1.286 63.385 62.100 -0.002 0.000 1.147 372 T CB -0.366 68.502 68.868 0.001 0.000 0.865 372 T HN 0.136 nan 8.240 nan 0.000 0.426 373 F N 2.340 122.213 119.950 -0.130 0.000 2.095 373 F HA -0.157 4.371 4.527 0.002 0.000 0.298 373 F C 1.998 177.812 175.800 0.023 0.000 1.104 373 F CA 1.467 59.438 58.000 -0.047 0.000 1.232 373 F CB -0.332 38.624 39.000 -0.073 0.000 0.987 373 F HN 0.059 nan 8.300 nan 0.000 0.475 374 D N 0.323 120.816 120.400 0.155 0.000 2.123 374 D HA -0.212 4.429 4.640 0.001 0.000 0.196 374 D C 2.479 178.756 176.300 -0.038 0.000 0.992 374 D CA 1.266 55.308 54.000 0.070 0.000 0.833 374 D CB -0.637 40.214 40.800 0.084 0.000 0.954 374 D HN 0.323 nan 8.370 nan 0.000 0.455 375 L N 0.175 121.375 121.223 -0.038 0.000 2.093 375 L HA -0.134 4.206 4.340 0.001 0.000 0.208 375 L C 2.226 179.048 176.870 -0.081 0.000 1.085 375 L CA 0.492 55.303 54.840 -0.047 0.000 0.755 375 L CB -0.103 41.942 42.059 -0.024 0.000 0.904 375 L HN 0.078 nan 8.230 nan 0.000 0.435 376 L N 0.203 121.354 121.223 -0.120 0.000 1.970 376 L HA -0.266 4.074 4.340 0.001 0.000 0.212 376 L C 2.359 179.077 176.870 -0.253 0.000 1.071 376 L CA 1.917 56.657 54.840 -0.165 0.000 0.751 376 L CB -0.782 41.147 42.059 -0.216 0.000 0.889 376 L HN 0.150 nan 8.230 nan 0.000 0.432 377 L N -0.569 120.455 121.223 -0.332 0.000 2.051 377 L HA -0.291 4.050 4.340 0.001 0.000 0.214 377 L C 2.651 179.420 176.870 -0.168 0.000 1.076 377 L CA 1.502 56.183 54.840 -0.265 0.000 0.758 377 L CB -1.184 40.750 42.059 -0.209 0.000 0.890 377 L HN 0.463 nan 8.230 nan 0.000 0.433 378 A N 0.042 122.786 122.820 -0.127 0.000 1.873 378 A HA -0.128 4.193 4.320 0.001 0.000 0.215 378 A C 2.551 180.071 177.584 -0.106 0.000 1.186 378 A CA 1.670 53.656 52.037 -0.086 0.000 0.616 378 A CB -0.752 18.212 19.000 -0.060 0.000 0.823 378 A HN 0.400 nan 8.150 nan 0.000 0.442 379 A N -0.900 121.849 122.820 -0.119 0.000 2.024 379 A HA -0.216 4.104 4.320 0.001 0.000 0.220 379 A C 2.091 179.521 177.584 -0.256 0.000 1.164 379 A CA 1.725 53.695 52.037 -0.112 0.000 0.643 379 A CB -0.489 18.494 19.000 -0.027 0.000 0.806 379 A HN 0.687 nan 8.150 nan 0.000 0.451 380 Q N -0.845 118.713 119.800 -0.404 0.000 2.137 380 Q HA -0.111 4.229 4.340 0.001 0.000 0.198 380 Q C 1.931 177.711 176.000 -0.366 0.000 0.960 380 Q CA 1.192 56.603 55.803 -0.653 0.000 0.847 380 Q CB -0.076 28.254 28.738 -0.681 0.000 0.915 380 Q HN 0.754 nan 8.270 nan 0.000 0.448 381 E N 0.141 120.239 120.200 -0.169 0.000 2.051 381 E HA -0.165 4.186 4.350 0.001 0.000 0.192 381 E C 2.075 178.591 176.600 -0.140 0.000 0.991 381 E CA 1.232 57.583 56.400 -0.083 0.000 0.799 381 E CB -0.100 29.622 29.700 0.036 0.000 0.748 381 E HN 0.122 nan 8.360 nan 0.000 0.449 382 V N 0.637 120.490 119.914 -0.102 0.000 2.759 382 V HA -0.201 3.920 4.120 0.001 0.000 0.256 382 V C 2.262 178.326 176.094 -0.051 0.000 1.080 382 V CA 1.950 64.210 62.300 -0.066 0.000 1.101 382 V CB 0.018 31.814 31.823 -0.046 0.000 0.698 382 V HN 0.165 nan 8.190 nan 0.000 0.477 383 S N -1.053 114.609 115.700 -0.064 0.000 2.387 383 S HA -0.113 4.358 4.470 0.001 0.000 0.226 383 S C 1.867 176.518 174.600 0.085 0.000 1.026 383 S CA 1.599 59.828 58.200 0.048 0.000 0.972 383 S CB -0.031 63.276 63.200 0.178 0.000 0.814 383 S HN 0.484 nan 8.310 nan 0.000 0.477 384 V N 2.108 121.968 119.914 -0.091 0.000 2.295 384 V HA -0.171 3.950 4.120 0.001 0.000 0.246 384 V C 2.479 178.586 176.094 0.023 0.000 1.049 384 V CA 2.167 64.397 62.300 -0.116 0.000 1.024 384 V CB -0.642 30.735 31.823 -0.742 0.000 0.648 384 V HN 0.499 nan 8.190 nan 0.000 0.447 385 K N 0.223 120.592 120.400 -0.052 0.000 2.074 385 K HA -0.230 4.091 4.320 0.001 0.000 0.209 385 K C 2.175 178.794 176.600 0.031 0.000 1.048 385 K CA 1.699 57.987 56.287 0.001 0.000 0.926 385 K CB -0.367 32.121 32.500 -0.020 0.000 0.713 385 K HN 0.437 nan 8.250 nan 0.000 0.444 386 A N 1.011 123.833 122.820 0.004 0.000 1.877 386 A HA -0.209 4.112 4.320 0.001 0.000 0.216 386 A C 1.996 179.540 177.584 -0.067 0.000 1.186 386 A CA 1.614 53.622 52.037 -0.048 0.000 0.620 386 A CB -0.939 18.007 19.000 -0.091 0.000 0.822 386 A HN 0.424 nan 8.150 nan 0.000 0.443 387 H N -0.942 118.107 119.070 -0.036 0.000 2.319 387 H HA -0.145 4.412 4.556 0.001 0.000 0.299 387 H C 2.211 177.516 175.328 -0.039 0.000 1.092 387 H CA 2.080 58.054 56.048 -0.123 0.000 1.302 387 H CB -0.156 29.502 29.762 -0.174 0.000 1.373 387 H HN 0.650 nan 8.280 nan 0.000 0.497 388 E N 0.898 121.273 120.200 0.290 0.000 2.077 388 E HA -0.102 4.248 4.350 0.001 0.000 0.193 388 E C 2.319 178.997 176.600 0.129 0.000 0.989 388 E CA 1.286 57.867 56.400 0.302 0.000 0.800 388 E CB -0.215 29.676 29.700 0.318 0.000 0.746 388 E HN 0.383 nan 8.360 nan 0.000 0.452 389 A N 0.004 122.861 122.820 0.062 0.000 1.877 389 A HA -0.122 4.198 4.320 0.001 0.000 0.216 389 A C 2.487 180.059 177.584 -0.019 0.000 1.186 389 A CA 1.638 53.682 52.037 0.011 0.000 0.620 389 A CB -0.779 18.211 19.000 -0.016 0.000 0.822 389 A HN 0.197 nan 8.150 nan 0.000 0.443 390 V N 0.179 120.064 119.914 -0.049 0.000 2.490 390 V HA -0.236 3.885 4.120 0.001 0.000 0.250 390 V C 2.613 178.673 176.094 -0.057 0.000 1.061 390 V CA 2.169 64.422 62.300 -0.080 0.000 1.064 390 V CB -0.881 30.864 31.823 -0.130 0.000 0.670 390 V HN 0.640 nan 8.190 nan 0.000 0.461 391 R N -0.089 120.381 120.500 -0.049 0.000 2.075 391 R HA -0.095 4.245 4.340 0.001 0.000 0.232 391 R C 2.289 178.614 176.300 0.041 0.000 1.126 391 R CA 1.494 57.559 56.100 -0.059 0.000 0.963 391 R CB -0.230 30.009 30.300 -0.101 0.000 0.858 391 R HN 0.439 nan 8.270 nan 0.000 0.435 392 L N 0.197 121.463 121.223 0.072 0.000 2.093 392 L HA -0.083 4.258 4.340 0.001 0.000 0.208 392 L C 2.614 179.555 176.870 0.118 0.000 1.085 392 L CA 1.223 56.127 54.840 0.106 0.000 0.755 392 L CB -0.363 41.748 42.059 0.087 0.000 0.904 392 L HN 0.301 nan 8.230 nan 0.000 0.435 393 A N -0.469 122.391 122.820 0.067 0.000 2.014 393 A HA -0.201 4.120 4.320 0.001 0.000 0.218 393 A C 2.098 179.822 177.584 0.233 0.000 1.163 393 A CA 1.462 53.564 52.037 0.109 0.000 0.652 393 A CB -0.699 18.301 19.000 -0.000 0.000 0.808 393 A HN 0.509 nan 8.150 nan 0.000 0.449 394 N N -0.355 118.428 118.700 0.138 0.000 2.309 394 N HA -0.129 4.611 4.740 0.001 0.000 0.182 394 N C 1.107 176.731 175.510 0.189 0.000 1.018 394 N CA 1.308 54.450 53.050 0.152 0.000 0.876 394 N CB 0.005 38.519 38.487 0.045 0.000 0.972 394 N HN 0.648 nan 8.380 nan 0.000 0.434 395 E N -0.973 119.338 120.200 0.184 0.000 2.526 395 E HA -0.019 4.331 4.350 0.001 0.000 0.208 395 E C -0.554 176.149 176.600 0.170 0.000 0.997 395 E CA -0.463 56.033 56.400 0.161 0.000 0.961 395 E CB 0.240 30.034 29.700 0.157 0.000 1.030 395 E HN 0.248 nan 8.360 nan 0.000 0.483 396 Y N 2.349 122.688 120.300 0.066 0.000 2.717 396 Y HA -0.134 4.417 4.550 0.001 0.000 0.330 396 Y C 1.076 176.968 175.900 -0.014 0.000 1.217 396 Y CA 0.546 58.666 58.100 0.033 0.000 1.506 396 Y CB 0.593 39.081 38.460 0.046 0.000 1.268 396 Y HN -0.107 nan 8.280 nan 0.000 0.561 397 Q N 4.133 123.630 119.800 -0.506 0.000 2.319 397 Q HA 0.243 4.584 4.340 0.001 0.000 0.209 397 Q C 0.881 176.503 176.000 -0.630 0.000 0.884 397 Q CA 0.605 56.141 55.803 -0.445 0.000 0.938 397 Q CB 0.401 29.000 28.738 -0.231 0.000 1.098 397 Q HN 0.903 nan 8.270 nan 0.000 0.517 398 G N 0.302 108.330 108.800 -1.287 0.000 2.508 398 G HA2 0.460 4.421 3.960 0.001 0.000 0.278 398 G HA3 0.460 4.421 3.960 0.001 0.000 0.278 398 G C -0.587 174.084 174.900 -0.382 0.000 1.389 398 G CA -0.125 44.517 45.100 -0.762 0.000 1.050 398 G HN 0.232 nan 8.290 nan 0.000 0.522 399 A N -0.237 122.545 122.820 -0.063 0.000 2.491 399 A HA 0.415 4.735 4.320 0.001 0.000 0.261 399 A C 0.583 178.257 177.584 0.148 0.000 1.101 399 A CA 0.185 52.238 52.037 0.026 0.000 0.772 399 A CB -0.088 18.939 19.000 0.043 0.000 1.043 399 A HN 0.535 nan 8.150 nan 0.000 0.501 400 K N 1.596 122.024 120.400 0.046 0.000 2.090 400 K HA 0.586 4.907 4.320 0.001 0.000 0.249 400 K C 0.529 177.169 176.600 0.066 0.000 0.995 400 K CA -0.196 56.125 56.287 0.058 0.000 0.914 400 K CB 1.230 33.608 32.500 -0.204 0.000 1.057 400 K HN 0.797 nan 8.250 nan 0.000 0.462 401 A N 0.698 123.581 122.820 0.105 0.000 2.346 401 A HA 0.333 4.654 4.320 0.001 0.000 0.252 401 A C 1.102 178.738 177.584 0.086 0.000 1.089 401 A CA 0.449 52.534 52.037 0.079 0.000 0.797 401 A CB 0.218 19.253 19.000 0.058 0.000 1.047 401 A HN 0.856 nan 8.150 nan 0.000 0.494 402 A N 0.711 123.566 122.820 0.057 0.000 2.019 402 A HA 0.173 4.494 4.320 0.001 0.000 0.219 402 A C 1.674 179.295 177.584 0.062 0.000 1.164 402 A CA 1.799 53.866 52.037 0.050 0.000 0.644 402 A CB -0.632 18.387 19.000 0.031 0.000 0.805 402 A HN 1.518 nan 8.150 nan 0.000 0.449 403 G N -2.565 106.272 108.800 0.062 0.000 3.609 403 G HA2 0.237 4.197 3.960 0.001 0.000 0.280 403 G HA3 0.237 4.197 3.960 0.001 0.000 0.280 403 G C 0.770 175.707 174.900 0.061 0.000 1.155 403 G CA 0.297 45.425 45.100 0.046 0.000 0.876 403 G HN 0.446 nan 8.290 nan 0.000 0.535 404 Y N 1.349 121.639 120.300 -0.017 0.000 2.062 404 Y HA -0.309 4.242 4.550 0.001 0.000 0.276 404 Y C 2.143 178.033 175.900 -0.016 0.000 1.189 404 Y CA 2.430 60.520 58.100 -0.016 0.000 1.130 404 Y CB 0.182 38.645 38.460 0.004 0.000 0.959 404 Y HN 0.266 nan 8.280 nan 0.000 0.499 405 D N -0.154 120.274 120.400 0.048 0.000 2.097 405 D HA -0.189 4.452 4.640 0.001 0.000 0.195 405 D C 1.925 178.162 176.300 -0.106 0.000 0.989 405 D CA 1.611 55.584 54.000 -0.045 0.000 0.827 405 D CB -0.522 40.313 40.800 0.059 0.000 0.966 405 D HN 0.477 nan 8.370 nan 0.000 0.456 406 D N 0.164 120.523 120.400 -0.068 0.000 2.144 406 D HA -0.067 4.574 4.640 0.001 0.000 0.199 406 D C 2.342 178.572 176.300 -0.116 0.000 0.984 406 D CA 0.354 54.304 54.000 -0.083 0.000 0.834 406 D CB 0.100 40.865 40.800 -0.058 0.000 0.955 406 D HN 0.194 nan 8.370 nan 0.000 0.465 407 L N 0.075 121.220 121.223 -0.130 0.000 2.141 407 L HA -0.145 4.195 4.340 0.001 0.000 0.209 407 L C 2.559 179.308 176.870 -0.201 0.000 1.094 407 L CA 0.494 55.243 54.840 -0.151 0.000 0.763 407 L CB -0.273 41.704 42.059 -0.136 0.000 0.908 407 L HN 0.049 nan 8.230 nan 0.000 0.437 408 M N -0.414 119.012 119.600 -0.290 0.000 2.175 408 M HA -0.144 4.337 4.480 0.001 0.000 0.264 408 M C 2.335 178.552 176.300 -0.138 0.000 1.063 408 M CA 1.723 56.850 55.300 -0.287 0.000 1.119 408 M CB -0.747 31.601 32.600 -0.420 0.000 1.377 408 M HN 0.194 nan 8.290 nan 0.000 0.415 409 I N 0.220 120.726 120.570 -0.108 0.000 2.099 409 I HA -0.364 3.806 4.170 0.001 0.000 0.239 409 I C 2.506 178.565 176.117 -0.097 0.000 1.066 409 I CA 1.422 62.686 61.300 -0.060 0.000 1.324 409 I CB -0.534 37.382 38.000 -0.139 0.000 1.037 409 I HN 0.376 nan 8.210 nan 0.000 0.401 410 Q N 0.606 120.326 119.800 -0.132 0.000 2.152 410 Q HA -0.237 4.104 4.340 0.001 0.000 0.206 410 Q C 2.406 178.346 176.000 -0.099 0.000 0.985 410 Q CA 1.761 57.488 55.803 -0.127 0.000 0.863 410 Q CB -0.387 28.282 28.738 -0.116 0.000 0.904 410 Q HN 0.621 nan 8.270 nan 0.000 0.422 411 A N 1.510 124.271 122.820 -0.098 0.000 1.855 411 A HA -0.186 4.135 4.320 0.001 0.000 0.215 411 A C 2.063 179.601 177.584 -0.077 0.000 1.191 411 A CA 1.324 53.303 52.037 -0.097 0.000 0.613 411 A CB -0.392 18.534 19.000 -0.124 0.000 0.829 411 A HN 0.206 nan 8.150 nan 0.000 0.442 412 R N -0.823 119.660 120.500 -0.028 0.000 2.092 412 R HA -0.132 4.209 4.340 0.001 0.000 0.231 412 R C 2.220 178.585 176.300 0.108 0.000 1.119 412 R CA 1.384 57.494 56.100 0.016 0.000 0.970 412 R CB -0.266 30.076 30.300 0.070 0.000 0.864 412 R HN 0.650 nan 8.270 nan 0.000 0.440 413 E N 0.757 121.057 120.200 0.167 0.000 2.130 413 E HA -0.197 4.154 4.350 0.001 0.000 0.196 413 E C 1.754 178.344 176.600 -0.016 0.000 0.998 413 E CA 1.521 57.985 56.400 0.106 0.000 0.806 413 E CB 0.033 29.674 29.700 -0.099 0.000 0.738 413 E HN 0.102 nan 8.360 nan 0.000 0.459 414 M N -0.436 119.114 119.600 -0.083 0.000 2.288 414 M HA -0.028 4.453 4.480 0.001 0.000 0.266 414 M C 2.193 178.434 176.300 -0.098 0.000 1.072 414 M CA 0.621 55.842 55.300 -0.131 0.000 1.132 414 M CB -0.410 32.135 32.600 -0.091 0.000 1.386 414 M HN 0.099 nan 8.290 nan 0.000 0.432 415 V N 0.527 120.369 119.914 -0.120 0.000 2.287 415 V HA -0.299 3.822 4.120 0.001 0.000 0.248 415 V C 2.562 178.575 176.094 -0.136 0.000 1.053 415 V CA 2.149 64.326 62.300 -0.204 0.000 1.027 415 V CB -0.959 30.629 31.823 -0.391 0.000 0.646 415 V HN 0.481 nan 8.190 nan 0.000 0.447 416 R N 0.454 120.900 120.500 -0.089 0.000 2.083 416 R HA -0.246 4.095 4.340 0.001 0.000 0.237 416 R C 2.409 178.753 176.300 0.074 0.000 1.137 416 R CA 2.324 58.420 56.100 -0.008 0.000 0.951 416 R CB -0.306 30.027 30.300 0.054 0.000 0.851 416 R HN 0.483 nan 8.270 nan 0.000 0.434 417 K N -0.622 119.735 120.400 -0.071 0.000 2.025 417 K HA -0.069 4.252 4.320 0.001 0.000 0.207 417 K C 2.059 178.638 176.600 -0.035 0.000 1.049 417 K CA 1.509 57.562 56.287 -0.390 0.000 0.933 417 K CB -0.405 31.458 32.500 -1.063 0.000 0.714 417 K HN 0.380 nan 8.250 nan 0.000 0.438 418 G N 0.781 109.624 108.800 0.072 0.000 2.440 418 G HA2 -0.342 3.618 3.960 0.001 0.000 0.218 418 G HA3 -0.342 3.618 3.960 0.001 0.000 0.218 418 G C 1.397 176.454 174.900 0.263 0.000 1.154 418 G CA 1.039 46.292 45.100 0.255 0.000 0.767 418 G HN 0.438 nan 8.290 nan 0.000 0.552 419 Q N -0.908 118.966 119.800 0.123 0.000 2.083 419 Q HA -0.028 4.313 4.340 0.001 0.000 0.198 419 Q C 2.157 177.888 176.000 -0.448 0.000 0.969 419 Q CA 1.027 56.692 55.803 -0.230 0.000 0.838 419 Q CB -0.297 28.453 28.738 0.021 0.000 0.900 419 Q HN 0.482 nan 8.270 nan 0.000 0.436 420 F N -0.164 119.721 119.950 -0.109 0.000 2.095 420 F HA -0.242 4.286 4.527 0.001 0.000 0.298 420 F C 1.383 177.239 175.800 0.093 0.000 1.104 420 F CA 1.361 59.366 58.000 0.009 0.000 1.232 420 F CB -0.144 38.999 39.000 0.238 0.000 0.987 420 F HN 0.105 nan 8.300 nan 0.000 0.475 421 F N 0.887 120.839 119.950 0.004 0.000 2.102 421 F HA -0.239 4.289 4.527 0.001 0.000 0.298 421 F C 2.452 178.262 175.800 0.016 0.000 1.105 421 F CA 1.687 59.689 58.000 0.004 0.000 1.239 421 F CB -1.504 37.585 39.000 0.149 0.000 0.991 421 F HN 0.334 nan 8.300 nan 0.000 0.474 422 W N 0.252 121.692 121.300 0.232 0.000 2.418 422 W HA -0.133 4.528 4.660 0.001 0.000 0.292 422 W C 1.508 178.096 176.519 0.115 0.000 1.213 422 W CA 0.993 58.421 57.345 0.139 0.000 1.283 422 W CB -1.127 28.393 29.460 0.099 0.000 1.119 422 W HN 0.028 nan 8.180 nan 0.000 0.542 423 D N 0.891 120.960 120.400 -0.551 0.000 2.123 423 D HA -0.262 4.378 4.640 0.001 0.000 0.196 423 D C 1.949 178.165 176.300 -0.140 0.000 0.992 423 D CA 1.705 55.440 54.000 -0.442 0.000 0.833 423 D CB -0.966 39.457 40.800 -0.628 0.000 0.954 423 D HN 0.245 nan 8.370 nan 0.000 0.455 424 Y N 0.222 120.268 120.300 -0.423 0.000 2.139 424 Y HA -0.269 4.281 4.550 0.001 0.000 0.282 424 Y C 2.096 177.936 175.900 -0.101 0.000 1.179 424 Y CA 1.589 59.462 58.100 -0.379 0.000 1.161 424 Y CB -0.012 38.113 38.460 -0.557 0.000 0.970 424 Y HN -0.100 nan 8.280 nan 0.000 0.511 425 V N -1.594 118.461 119.914 0.236 0.000 2.500 425 V HA -0.173 3.948 4.120 0.001 0.000 0.243 425 V C 2.433 178.663 176.094 0.227 0.000 1.039 425 V CA 1.446 63.892 62.300 0.242 0.000 1.053 425 V CB -0.549 31.423 31.823 0.249 0.000 0.695 425 V HN 0.430 nan 8.190 nan 0.000 0.463 426 S N 0.971 116.860 115.700 0.314 0.000 2.359 426 S HA -0.258 4.213 4.470 0.001 0.000 0.222 426 S C 2.088 176.907 174.600 0.365 0.000 1.038 426 S CA 2.022 60.455 58.200 0.388 0.000 1.051 426 S CB -0.497 63.080 63.200 0.629 0.000 0.944 426 S HN 0.611 nan 8.310 nan 0.000 0.433 427 A N 0.775 123.780 122.820 0.308 0.000 2.178 427 A HA 0.026 4.347 4.320 0.001 0.000 0.218 427 A C 1.127 178.854 177.584 0.239 0.000 1.157 427 A CA 0.721 52.924 52.037 0.277 0.000 0.689 427 A CB -0.336 18.707 19.000 0.071 0.000 0.787 427 A HN 0.580 nan 8.150 nan 0.000 0.465 428 E N 0.795 121.102 120.200 0.179 0.000 2.194 428 E HA 0.099 4.449 4.350 0.001 0.000 0.284 428 E C -0.088 176.634 176.600 0.204 0.000 1.035 428 E CA -0.318 56.181 56.400 0.164 0.000 0.836 428 E CB 0.245 30.002 29.700 0.094 0.000 1.070 428 E HN 0.422 nan 8.360 nan 0.000 0.401 429 N N 1.725 120.555 118.700 0.218 0.000 2.550 429 N HA -0.107 4.634 4.740 0.001 0.000 0.186 429 N C 1.333 176.896 175.510 0.089 0.000 1.110 429 N CA 0.621 53.781 53.050 0.184 0.000 0.912 429 N CB 0.282 38.886 38.487 0.195 0.000 0.968 429 N HN 0.369 nan 8.380 nan 0.000 0.448 430 S N -0.178 115.514 115.700 -0.013 0.000 2.528 430 S HA 0.019 4.490 4.470 0.001 0.000 0.219 430 S C 0.993 175.570 174.600 -0.039 0.000 0.985 430 S CA -0.083 57.992 58.200 -0.208 0.000 0.914 430 S CB -0.022 62.652 63.200 -0.876 0.000 0.776 430 S HN 0.008 nan 8.310 nan 0.000 0.526 431 V N 1.136 121.074 119.914 0.040 0.000 5.767 431 V HA -0.149 3.972 4.120 0.001 0.000 0.311 431 V C 1.523 177.628 176.094 0.019 0.000 0.532 431 V CA 0.671 62.996 62.300 0.043 0.000 0.659 431 V CB -2.825 28.980 31.823 -0.031 0.000 0.353 431 V HN 1.181 nan 8.190 nan 0.000 1.082 432 G N -0.620 108.218 108.800 0.063 0.000 2.399 432 G HA2 -0.377 3.584 3.960 0.001 0.000 0.216 432 G HA3 -0.377 3.584 3.960 0.001 0.000 0.216 432 G C 0.424 175.384 174.900 0.100 0.000 1.096 432 G CA 0.533 45.678 45.100 0.075 0.000 0.650 432 G HN 1.181 nan 8.290 nan 0.000 0.512 433 F N 1.923 121.846 119.950 -0.045 0.000 2.091 433 F HA -0.081 4.447 4.527 0.001 0.000 0.299 433 F C 2.451 178.316 175.800 0.108 0.000 1.103 433 F CA 2.886 60.882 58.000 -0.006 0.000 1.228 433 F CB -0.578 38.384 39.000 -0.062 0.000 0.984 433 F HN 0.491 nan 8.300 nan 0.000 0.477 434 H N -1.719 117.383 119.070 0.052 0.000 2.352 434 H HA -0.149 4.408 4.556 0.001 0.000 0.299 434 H C 0.484 175.762 175.328 -0.082 0.000 1.097 434 H CA 1.154 57.203 56.048 0.001 0.000 1.311 434 H CB -0.064 29.785 29.762 0.145 0.000 1.377 434 H HN 0.050 nan 8.280 nan 0.000 0.504 435 N N -0.828 117.919 118.700 0.078 0.000 2.707 435 N HA 0.087 4.827 4.740 0.001 0.000 0.249 435 N C -2.363 173.150 175.510 0.007 0.000 1.299 435 N CA -1.759 51.292 53.050 0.001 0.000 0.769 435 N CB 0.949 39.444 38.487 0.014 0.000 1.236 435 N HN -0.080 nan 8.380 nan 0.000 0.524 436 P HA -0.150 nan 4.420 nan 0.000 0.212 436 P C 1.132 178.444 177.300 0.020 0.000 1.178 436 P CA 1.861 64.970 63.100 0.014 0.000 0.915 436 P CB 0.271 31.976 31.700 0.009 0.000 0.788 437 A N -0.180 122.640 122.820 0.001 0.000 1.892 437 A HA -0.296 4.025 4.320 0.001 0.000 0.218 437 A C 2.329 179.917 177.584 0.007 0.000 1.188 437 A CA 2.361 54.399 52.037 0.001 0.000 0.631 437 A CB -1.423 17.567 19.000 -0.016 0.000 0.822 437 A HN 0.135 nan 8.150 nan 0.000 0.447 438 K N -0.624 119.778 120.400 0.004 0.000 2.026 438 K HA -0.092 4.228 4.320 0.001 0.000 0.208 438 K C 2.285 178.905 176.600 0.034 0.000 1.048 438 K CA 1.185 57.477 56.287 0.008 0.000 0.929 438 K CB -0.362 32.143 32.500 0.008 0.000 0.713 438 K HN 0.389 nan 8.250 nan 0.000 0.439 439 A N 1.535 124.393 122.820 0.064 0.000 1.873 439 A HA -0.191 4.130 4.320 0.001 0.000 0.218 439 A C 2.184 179.811 177.584 0.071 0.000 1.193 439 A CA 1.585 53.678 52.037 0.093 0.000 0.629 439 A CB -0.751 18.307 19.000 0.096 0.000 0.826 439 A HN 0.315 nan 8.150 nan 0.000 0.447 440 L N -0.912 120.340 121.223 0.048 0.000 2.027 440 L HA -0.179 4.161 4.340 0.001 0.000 0.206 440 L C 2.480 179.366 176.870 0.027 0.000 1.074 440 L CA 1.644 56.504 54.840 0.034 0.000 0.745 440 L CB -0.663 41.411 42.059 0.024 0.000 0.898 440 L HN 0.481 nan 8.230 nan 0.000 0.433 441 D N -0.258 120.156 120.400 0.022 0.000 2.133 441 D HA -0.227 4.414 4.640 0.001 0.000 0.192 441 D C 1.946 178.269 176.300 0.039 0.000 1.001 441 D CA 2.111 56.121 54.000 0.017 0.000 0.844 441 D CB 0.047 40.856 40.800 0.016 0.000 0.944 441 D HN 0.149 nan 8.370 nan 0.000 0.447 442 T N -0.246 114.347 114.554 0.064 0.000 2.821 442 T HA -0.049 4.302 4.350 0.001 0.000 0.267 442 T C 2.026 176.830 174.700 0.174 0.000 1.046 442 T CA 0.823 63.007 62.100 0.140 0.000 1.139 442 T CB -0.192 68.684 68.868 0.014 0.000 0.871 442 T HN 0.166 nan 8.240 nan 0.000 0.454 443 L N 0.679 121.968 121.223 0.109 0.000 2.109 443 L HA 0.033 4.374 4.340 0.001 0.000 0.207 443 L C 3.034 179.915 176.870 0.019 0.000 1.086 443 L CA 0.950 55.850 54.840 0.099 0.000 0.760 443 L CB -0.635 41.468 42.059 0.073 0.000 0.910 443 L HN 0.212 nan 8.230 nan 0.000 0.437 444 A N -0.324 122.485 122.820 -0.020 0.000 1.933 444 A HA -0.246 4.075 4.320 0.001 0.000 0.218 444 A C 2.242 179.708 177.584 -0.197 0.000 1.175 444 A CA 1.571 53.558 52.037 -0.082 0.000 0.628 444 A CB -0.413 18.547 19.000 -0.067 0.000 0.814 444 A HN 0.486 nan 8.150 nan 0.000 0.444 445 Q N -0.900 118.750 119.800 -0.250 0.000 2.123 445 Q HA -0.104 4.237 4.340 0.001 0.000 0.199 445 Q C 2.406 177.806 176.000 -1.000 0.000 0.966 445 Q CA 1.328 56.735 55.803 -0.660 0.000 0.845 445 Q CB -0.228 28.184 28.738 -0.542 0.000 0.907 445 Q HN 0.684 nan 8.270 nan 0.000 0.439 446 S N 0.777 116.244 115.700 -0.388 0.000 2.370 446 S HA -0.272 4.199 4.470 0.001 0.000 0.226 446 S C 1.952 176.490 174.600 -0.103 0.000 1.033 446 S CA 1.586 59.723 58.200 -0.104 0.000 1.011 446 S CB -0.043 63.283 63.200 0.210 0.000 0.852 446 S HN 0.350 nan 8.310 nan 0.000 0.457 447 Q N 0.086 119.807 119.800 -0.132 0.000 2.050 447 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 447 Q C 2.392 178.304 176.000 -0.147 0.000 0.980 447 Q CA 1.898 57.639 55.803 -0.104 0.000 0.840 447 Q CB -0.153 28.527 28.738 -0.096 0.000 0.898 447 Q HN 0.682 nan 8.270 nan 0.000 0.424 448 Q N -0.751 118.879 119.800 -0.283 0.000 2.084 448 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 448 Q C 1.812 177.725 176.000 -0.145 0.000 0.978 448 Q CA 1.738 57.384 55.803 -0.263 0.000 0.844 448 Q CB -0.115 28.382 28.738 -0.402 0.000 0.898 448 Q HN 0.434 nan 8.270 nan 0.000 0.426 449 F N 0.006 119.865 119.950 -0.152 0.000 2.113 449 F HA -0.191 4.337 4.527 0.001 0.000 0.297 449 F C 2.617 178.346 175.800 -0.118 0.000 1.103 449 F CA 0.433 58.328 58.000 -0.175 0.000 1.248 449 F CB -0.214 38.617 39.000 -0.281 0.000 0.999 449 F HN -0.022 nan 8.300 nan 0.000 0.475 450 S N -0.158 115.596 115.700 0.090 0.000 2.374 450 S HA -0.315 4.156 4.470 0.001 0.000 0.227 450 S C 1.852 176.452 174.600 -0.001 0.000 1.037 450 S CA 1.725 59.945 58.200 0.034 0.000 1.024 450 S CB -0.471 62.752 63.200 0.039 0.000 0.861 450 S HN 0.304 nan 8.310 nan 0.000 0.456 451 Q N 1.497 121.292 119.800 -0.008 0.000 2.123 451 Q HA 0.036 4.376 4.340 0.001 0.000 0.199 451 Q C 1.950 177.944 176.000 -0.009 0.000 0.966 451 Q CA 1.535 57.328 55.803 -0.016 0.000 0.845 451 Q CB -0.228 28.494 28.738 -0.027 0.000 0.907 451 Q HN 0.478 nan 8.270 nan 0.000 0.439 452 K N -0.715 119.687 120.400 0.004 0.000 2.097 452 K HA -0.124 4.197 4.320 0.001 0.000 0.206 452 K C 1.856 178.444 176.600 -0.021 0.000 1.049 452 K CA 1.172 57.461 56.287 0.003 0.000 0.933 452 K CB -0.294 32.224 32.500 0.029 0.000 0.717 452 K HN 0.279 nan 8.250 nan 0.000 0.442 453 A N 1.246 124.049 122.820 -0.029 0.000 1.908 453 A HA -0.170 4.151 4.320 0.001 0.000 0.218 453 A C 2.042 179.589 177.584 -0.062 0.000 1.181 453 A CA 1.678 53.679 52.037 -0.060 0.000 0.627 453 A CB -0.629 18.323 19.000 -0.079 0.000 0.818 453 A HN 0.345 nan 8.150 nan 0.000 0.445 454 I N -0.200 120.344 120.570 -0.043 0.000 2.179 454 I HA -0.235 3.936 4.170 0.001 0.000 0.242 454 I C 1.893 177.991 176.117 -0.032 0.000 1.088 454 I CA 1.480 62.759 61.300 -0.035 0.000 1.357 454 I CB -0.666 37.324 38.000 -0.017 0.000 1.051 454 I HN 0.208 nan 8.210 nan 0.000 0.409 455 D N 1.170 121.562 120.400 -0.014 0.000 2.123 455 D HA -0.156 4.485 4.640 0.001 0.000 0.196 455 D C 2.340 178.616 176.300 -0.041 0.000 0.992 455 D CA 1.396 55.400 54.000 0.006 0.000 0.833 455 D CB -0.289 40.522 40.800 0.019 0.000 0.954 455 D HN 0.312 nan 8.370 nan 0.000 0.455 456 L N 0.433 121.618 121.223 -0.064 0.000 2.072 456 L HA -0.059 4.282 4.340 0.001 0.000 0.205 456 L C 2.543 179.329 176.870 -0.141 0.000 1.079 456 L CA 0.937 55.719 54.840 -0.096 0.000 0.752 456 L CB -0.388 41.617 42.059 -0.091 0.000 0.906 456 L HN -0.042 nan 8.230 nan 0.000 0.436 457 A N -0.228 122.513 122.820 -0.132 0.000 1.940 457 A HA -0.252 4.068 4.320 0.001 0.000 0.219 457 A C 2.325 179.792 177.584 -0.194 0.000 1.176 457 A CA 1.875 53.824 52.037 -0.146 0.000 0.631 457 A CB -0.473 18.460 19.000 -0.110 0.000 0.814 457 A HN 0.342 nan 8.150 nan 0.000 0.446 458 M N -1.440 118.031 119.600 -0.216 0.000 2.132 458 M HA -0.140 4.341 4.480 0.001 0.000 0.263 458 M C 2.237 178.107 176.300 -0.715 0.000 1.065 458 M CA 1.829 56.904 55.300 -0.375 0.000 1.122 458 M CB -0.313 32.169 32.600 -0.196 0.000 1.365 458 M HN 0.640 nan 8.290 nan 0.000 0.411 459 E N 0.464 120.323 120.200 -0.569 0.000 2.097 459 E HA -0.227 4.124 4.350 0.001 0.000 0.196 459 E C 1.806 178.195 176.600 -0.352 0.000 1.000 459 E CA 1.483 57.559 56.400 -0.539 0.000 0.804 459 E CB 0.028 29.613 29.700 -0.192 0.000 0.740 459 E HN 0.500 nan 8.360 nan 0.000 0.454 460 A N 0.193 122.877 122.820 -0.226 0.000 2.015 460 A HA -0.103 4.218 4.320 0.001 0.000 0.219 460 A C 2.149 179.759 177.584 0.043 0.000 1.163 460 A CA 1.696 53.703 52.037 -0.050 0.000 0.646 460 A CB -0.438 18.511 19.000 -0.085 0.000 0.806 460 A HN 0.421 nan 8.150 nan 0.000 0.448 461 T N -3.558 110.897 114.554 -0.165 0.000 3.145 461 T HA 0.283 4.634 4.350 0.001 0.000 0.255 461 T C 0.373 174.913 174.700 -0.267 0.000 1.039 461 T CA 0.316 62.243 62.100 -0.289 0.000 0.928 461 T CB -0.196 68.225 68.868 -0.745 0.000 1.029 461 T HN 0.519 nan 8.240 nan 0.000 0.554 462 Q N 0.210 119.874 119.800 -0.226 0.000 2.457 462 Q HA -0.291 4.050 4.340 0.001 0.000 0.283 462 Q C -0.531 175.453 176.000 -0.027 0.000 1.234 462 Q CA 0.732 56.468 55.803 -0.111 0.000 0.877 462 Q CB -2.268 26.511 28.738 0.070 0.000 1.250 462 Q HN 0.870 nan 8.270 nan 0.000 0.481 463 Y N -5.248 114.998 120.300 -0.090 0.000 4.929 463 Y HA -0.331 4.220 4.550 0.001 0.000 0.253 463 Y C 1.651 177.488 175.900 -0.106 0.000 0.946 463 Y CA 0.801 58.850 58.100 -0.085 0.000 1.905 463 Y CB -1.933 36.505 38.460 -0.038 0.000 1.400 463 Y HN 0.451 nan 8.280 nan 0.000 0.531 464 G N 1.011 109.742 108.800 -0.116 0.000 2.501 464 G HA2 -0.173 3.788 3.960 0.001 0.000 0.220 464 G HA3 -0.173 3.788 3.960 0.001 0.000 0.220 464 G C 1.392 176.202 174.900 -0.150 0.000 1.114 464 G CA 1.270 46.316 45.100 -0.091 0.000 0.757 464 G HN 0.772 nan 8.290 nan 0.000 0.559 465 I N -2.014 118.387 120.570 -0.282 0.000 3.030 465 I HA 0.260 4.431 4.170 0.001 0.000 0.270 465 I C 2.509 178.613 176.117 -0.022 0.000 1.211 465 I CA 0.644 61.864 61.300 -0.134 0.000 1.479 465 I CB -0.628 37.273 38.000 -0.164 0.000 1.105 465 I HN -0.002 nan 8.210 nan 0.000 0.447 466 G N 3.634 112.436 108.800 0.003 0.000 2.679 466 G HA2 -0.429 3.531 3.960 0.001 0.000 0.222 466 G HA3 -0.429 3.531 3.960 0.001 0.000 0.222 466 G C 1.676 176.599 174.900 0.038 0.000 1.164 466 G CA 1.948 47.074 45.100 0.044 0.000 0.769 466 G HN 0.728 nan 8.290 nan 0.000 0.610 467 K N -0.108 120.318 120.400 0.043 0.000 2.160 467 K HA -0.130 4.191 4.320 0.001 0.000 0.206 467 K C 1.149 177.774 176.600 0.040 0.000 1.047 467 K CA 1.827 58.139 56.287 0.042 0.000 0.930 467 K CB -0.171 32.360 32.500 0.051 0.000 0.720 467 K HN 0.207 nan 8.250 nan 0.000 0.450 468 D N 0.477 120.904 120.400 0.045 0.000 2.328 468 D HA 0.092 4.733 4.640 0.001 0.000 0.221 468 D C 0.634 176.959 176.300 0.042 0.000 1.072 468 D CA 0.413 54.442 54.000 0.048 0.000 0.850 468 D CB 0.393 41.233 40.800 0.067 0.000 0.922 468 D HN 0.279 nan 8.370 nan 0.000 0.516 469 L N -0.069 121.174 121.223 0.033 0.000 3.289 469 L HA 0.169 4.510 4.340 0.001 0.000 0.291 469 L C 1.587 178.469 176.870 0.020 0.000 1.279 469 L CA 0.002 54.859 54.840 0.027 0.000 1.025 469 L CB 0.768 42.842 42.059 0.026 0.000 1.413 469 L HN -0.212 nan 8.230 nan 0.000 0.593 470 S N -0.036 115.675 115.700 0.018 0.000 2.371 470 S HA 0.076 4.546 4.470 0.001 0.000 0.221 470 S C 1.451 176.055 174.600 0.007 0.000 1.036 470 S CA 0.886 59.094 58.200 0.013 0.000 0.965 470 S CB 0.070 63.278 63.200 0.013 0.000 0.845 470 S HN 0.553 nan 8.310 nan 0.000 0.475 471 G N 1.441 110.244 108.800 0.005 0.000 2.447 471 G HA2 0.138 4.099 3.960 0.001 0.000 0.269 471 G HA3 0.138 4.099 3.960 0.001 0.000 0.269 471 G C -0.433 174.467 174.900 -0.000 0.000 1.455 471 G CA -0.321 44.779 45.100 0.000 0.000 1.061 471 G HN 0.288 nan 8.290 nan 0.000 0.545 472 D N -0.906 119.492 120.400 -0.003 0.000 2.389 472 D HA 0.028 4.669 4.640 0.001 0.000 0.247 472 D C 1.425 177.730 176.300 0.007 0.000 1.128 472 D CA -0.577 53.423 54.000 0.000 0.000 0.884 472 D CB 1.166 41.962 40.800 -0.006 0.000 1.194 472 D HN 0.075 nan 8.370 nan 0.000 0.441 473 I N 3.993 124.576 120.570 0.021 0.000 2.423 473 I HA -0.200 3.971 4.170 0.001 0.000 0.254 473 I C 1.820 177.976 176.117 0.065 0.000 1.151 473 I CA 1.537 62.856 61.300 0.033 0.000 1.421 473 I CB 0.007 38.027 38.000 0.032 0.000 1.079 473 I HN 0.394 nan 8.210 nan 0.000 0.431 474 K N -0.611 119.826 120.400 0.061 0.000 2.365 474 K HA -0.053 4.268 4.320 0.001 0.000 0.199 474 K C 1.730 178.316 176.600 -0.023 0.000 1.045 474 K CA 1.423 57.725 56.287 0.026 0.000 0.962 474 K CB -0.076 32.395 32.500 -0.048 0.000 0.759 474 K HN 0.413 nan 8.250 nan 0.000 0.469 475 T N 1.472 116.012 114.554 -0.024 0.000 2.866 475 T HA -0.009 4.342 4.350 0.001 0.000 0.250 475 T C 1.933 176.597 174.700 -0.060 0.000 1.033 475 T CA 0.905 62.980 62.100 -0.043 0.000 1.145 475 T CB -0.058 68.791 68.868 -0.031 0.000 0.866 475 T HN 0.279 nan 8.240 nan 0.000 0.434 476 I N -0.083 120.460 120.570 -0.045 0.000 2.286 476 I HA 0.103 4.274 4.170 0.001 0.000 0.245 476 I C 0.370 176.421 176.117 -0.110 0.000 1.104 476 I CA 0.941 62.208 61.300 -0.055 0.000 1.397 476 I CB -0.363 37.628 38.000 -0.015 0.000 1.072 476 I HN -0.090 nan 8.210 nan 0.000 0.417 477 V N 3.926 123.765 119.914 -0.124 0.000 2.250 477 V HA 0.420 4.541 4.120 0.001 0.000 0.268 477 V C -2.457 173.583 176.094 -0.091 0.000 1.043 477 V CA -1.474 60.672 62.300 -0.256 0.000 0.814 477 V CB 0.409 31.979 31.823 -0.421 0.000 1.072 477 V HN 0.103 nan 8.190 nan 0.000 0.451 478 P HA 0.249 nan 4.420 nan 0.000 0.271 478 P C -2.637 174.706 177.300 0.072 0.000 1.218 478 P CA -1.381 61.698 63.100 -0.036 0.000 0.780 478 P CB 0.002 31.643 31.700 -0.098 0.000 0.901 479 P HA 0.138 nan 4.420 nan 0.000 0.268 479 P C -0.381 176.917 177.300 -0.003 0.000 1.205 479 P CA 0.384 63.416 63.100 -0.113 0.000 0.771 479 P CB 0.213 31.674 31.700 -0.399 0.000 0.858 480 I N 3.619 124.201 120.570 0.020 0.000 2.291 480 I HA 0.062 4.233 4.170 0.001 0.000 0.292 480 I C 1.434 177.630 176.117 0.132 0.000 1.064 480 I CA -0.275 61.049 61.300 0.040 0.000 1.269 480 I CB 0.842 38.837 38.000 -0.008 0.000 1.418 480 I HN 0.323 nan 8.210 nan 0.000 0.485 481 L N 7.087 128.400 121.223 0.150 0.000 2.162 481 L HA 0.159 4.500 4.340 0.001 0.000 0.205 481 L C 0.550 177.544 176.870 0.206 0.000 1.086 481 L CA 1.654 56.587 54.840 0.154 0.000 0.778 481 L CB -0.158 41.973 42.059 0.121 0.000 0.928 481 L HN 0.356 nan 8.230 nan 0.000 0.446 482 K N 0.661 121.231 120.400 0.283 0.000 2.413 482 K HA 0.496 4.816 4.320 0.001 0.000 0.257 482 K C -1.162 175.669 176.600 0.384 0.000 0.946 482 K CA -0.455 56.003 56.287 0.285 0.000 0.823 482 K CB 1.925 34.582 32.500 0.262 0.000 1.109 482 K HN -0.027 nan 8.250 nan 0.000 0.427 483 M N 3.391 123.143 119.600 0.252 0.000 2.296 483 M HA 0.199 4.679 4.480 0.001 0.000 0.268 483 M C -2.012 174.410 176.300 0.202 0.000 1.048 483 M CA -0.590 54.852 55.300 0.235 0.000 0.966 483 M CB 1.765 34.529 32.600 0.273 0.000 1.912 483 M HN 0.819 nan 8.290 nan 0.000 0.484 484 N N 1.517 120.308 118.700 0.151 0.000 2.825 484 N HA 0.525 5.266 4.740 0.001 0.000 0.253 484 N C -0.103 175.425 175.510 0.030 0.000 1.426 484 N CA -0.861 52.306 53.050 0.195 0.000 0.851 484 N CB 1.147 39.672 38.487 0.063 0.000 1.470 484 N HN 0.505 nan 8.380 nan 0.000 0.517 485 R N -0.605 119.742 120.500 -0.255 0.000 2.170 485 R HA -0.175 4.166 4.340 0.001 0.000 0.242 485 R C 1.248 177.245 176.300 -0.506 0.000 1.145 485 R CA 1.597 57.403 56.100 -0.490 0.000 0.984 485 R CB -0.196 29.754 30.300 -0.584 0.000 0.869 485 R HN 0.604 nan 8.270 nan 0.000 0.455 486 K N 1.176 121.299 120.400 -0.461 0.000 2.031 486 K HA -0.052 4.269 4.320 0.001 0.000 0.205 486 K C 1.819 178.235 176.600 -0.307 0.000 1.049 486 K CA 1.151 57.163 56.287 -0.458 0.000 0.939 486 K CB -0.172 32.181 32.500 -0.245 0.000 0.717 486 K HN 0.058 nan 8.250 nan 0.000 0.438 487 L N 0.747 121.793 121.223 -0.296 0.000 2.083 487 L HA -0.116 4.225 4.340 0.001 0.000 0.209 487 L C 2.596 179.352 176.870 -0.190 0.000 1.083 487 L CA 1.342 55.935 54.840 -0.411 0.000 0.752 487 L CB -0.436 41.107 42.059 -0.860 0.000 0.899 487 L HN 0.388 nan 8.230 nan 0.000 0.433 488 Q N -0.065 119.668 119.800 -0.111 0.000 2.576 488 Q HA -0.207 4.134 4.340 0.001 0.000 0.218 488 Q C 1.854 177.818 176.000 -0.060 0.000 0.983 488 Q CA 0.849 56.631 55.803 -0.035 0.000 0.920 488 Q CB 0.144 28.891 28.738 0.015 0.000 0.973 488 Q HN 0.587 nan 8.270 nan 0.000 0.528 489 Q N -0.463 119.271 119.800 -0.109 0.000 2.339 489 Q HA -0.018 4.323 4.340 0.001 0.000 0.205 489 Q C -0.061 175.917 176.000 -0.036 0.000 0.925 489 Q CA 0.144 55.891 55.803 -0.094 0.000 0.898 489 Q CB 0.422 29.069 28.738 -0.152 0.000 1.013 489 Q HN 0.194 nan 8.270 nan 0.000 0.504 490 D N 1.296 121.690 120.400 -0.010 0.000 2.338 490 D HA 0.047 4.688 4.640 0.001 0.000 0.255 490 D C -1.900 174.459 176.300 0.098 0.000 1.237 490 D CA -2.107 51.920 54.000 0.046 0.000 0.883 490 D CB 1.393 42.229 40.800 0.059 0.000 1.087 490 D HN -0.110 nan 8.370 nan 0.000 0.485 491 P HA -0.110 nan 4.420 nan 0.000 0.218 491 P C 0.956 178.307 177.300 0.086 0.000 1.149 491 P CA 0.752 63.891 63.100 0.065 0.000 0.817 491 P CB 0.391 32.116 31.700 0.042 0.000 0.785 492 E N -1.178 119.083 120.200 0.101 0.000 2.072 492 E HA -0.160 4.191 4.350 0.001 0.000 0.191 492 E C 1.828 178.522 176.600 0.156 0.000 0.985 492 E CA 0.949 57.416 56.400 0.111 0.000 0.801 492 E CB -1.077 28.685 29.700 0.104 0.000 0.750 492 E HN 0.318 nan 8.360 nan 0.000 0.452 493 F N 1.115 121.097 119.950 0.054 0.000 2.146 493 F HA -0.091 4.437 4.527 0.001 0.000 0.298 493 F C 1.859 177.745 175.800 0.143 0.000 1.096 493 F CA 0.983 59.033 58.000 0.083 0.000 1.275 493 F CB -0.017 38.998 39.000 0.025 0.000 1.008 493 F HN -0.109 nan 8.300 nan 0.000 0.480 494 M N 0.638 120.260 119.600 0.036 0.000 2.776 494 M HA -0.059 4.422 4.480 0.001 0.000 0.233 494 M C 1.050 177.431 176.300 0.135 0.000 1.078 494 M CA 1.036 56.337 55.300 0.002 0.000 1.058 494 M CB -1.150 31.461 32.600 0.019 0.000 1.611 494 M HN 0.264 nan 8.290 nan 0.000 0.541 495 K N -0.639 119.816 120.400 0.090 0.000 2.367 495 K HA 0.075 4.396 4.320 0.001 0.000 0.195 495 K C 1.774 178.405 176.600 0.052 0.000 1.060 495 K CA 0.731 57.064 56.287 0.078 0.000 1.022 495 K CB 0.348 32.879 32.500 0.052 0.000 0.894 495 K HN 0.365 nan 8.250 nan 0.000 0.540 496 T N -1.097 113.472 114.554 0.025 0.000 3.072 496 T HA -0.097 4.254 4.350 0.001 0.000 0.266 496 T C 0.593 175.248 174.700 -0.074 0.000 1.127 496 T CA 0.814 62.898 62.100 -0.027 0.000 1.107 496 T CB -0.137 68.694 68.868 -0.062 0.000 0.910 496 T HN 0.070 nan 8.240 nan 0.000 0.513 497 H N 0.643 119.552 119.070 -0.269 0.000 2.806 497 H HA 0.342 4.899 4.556 0.001 0.000 0.367 497 H C 0.581 175.743 175.328 -0.276 0.000 1.136 497 H CA -0.756 55.011 56.048 -0.469 0.000 1.178 497 H CB 2.258 31.363 29.762 -1.094 0.000 1.718 497 H HN 0.161 nan 8.280 nan 0.000 0.540 498 K N 1.670 121.975 120.400 -0.158 0.000 2.147 498 K HA -0.096 4.225 4.320 0.001 0.000 0.205 498 K C 1.005 177.874 176.600 0.449 0.000 1.049 498 K CA 0.992 57.349 56.287 0.117 0.000 0.936 498 K CB 0.125 32.667 32.500 0.069 0.000 0.722 498 K HN 0.325 nan 8.250 nan 0.000 0.446 499 W N 0.529 122.060 121.300 0.385 0.000 2.699 499 W HA 0.111 4.772 4.660 0.001 0.000 0.249 499 W C 1.227 177.957 176.519 0.351 0.000 1.280 499 W CA -0.261 57.312 57.345 0.379 0.000 1.345 499 W CB -0.402 29.211 29.460 0.255 0.000 1.128 499 W HN -0.032 nan 8.180 nan 0.000 0.642 500 F N 0.863 121.017 119.950 0.340 0.000 2.604 500 F HA -0.130 4.398 4.527 0.001 0.000 0.298 500 F C 2.360 178.194 175.800 0.057 0.000 1.131 500 F CA 0.930 59.018 58.000 0.147 0.000 1.457 500 F CB -1.395 37.634 39.000 0.048 0.000 1.095 500 F HN 0.194 nan 8.300 nan 0.000 0.574 501 Q N -1.245 118.634 119.800 0.132 0.000 2.378 501 Q HA -0.162 4.179 4.340 0.001 0.000 0.205 501 Q C 1.137 176.987 176.000 -0.250 0.000 0.954 501 Q CA 1.373 57.107 55.803 -0.116 0.000 0.901 501 Q CB -0.755 27.835 28.738 -0.248 0.000 0.981 501 Q HN 0.432 nan 8.270 nan 0.000 0.483 502 Y N 0.751 121.129 120.300 0.130 0.000 2.546 502 Y HA 0.224 4.775 4.550 0.001 0.000 0.287 502 Y C 0.566 176.507 175.900 0.070 0.000 1.158 502 Y CA -0.260 57.879 58.100 0.065 0.000 1.307 502 Y CB 0.479 38.935 38.460 -0.005 0.000 1.036 502 Y HN 0.030 nan 8.280 nan 0.000 0.532 503 L N 1.767 123.105 121.223 0.193 0.000 2.344 503 L HA 0.396 4.737 4.340 0.001 0.000 0.272 503 L C -2.190 174.734 176.870 0.090 0.000 1.035 503 L CA -2.289 52.634 54.840 0.138 0.000 0.807 503 L CB 0.875 43.014 42.059 0.134 0.000 1.237 503 L HN -0.142 nan 8.230 nan 0.000 0.442 504 P HA 0.195 nan 4.420 nan 0.000 0.281 504 P C -0.893 176.431 177.300 0.039 0.000 1.249 504 P CA -0.464 62.668 63.100 0.053 0.000 0.810 504 P CB 1.066 32.797 31.700 0.051 0.000 1.008 505 V N 3.015 122.946 119.914 0.027 0.000 2.470 505 V HA 0.088 4.209 4.120 0.001 0.000 0.276 505 V C 0.918 177.014 176.094 0.003 0.000 1.040 505 V CA -0.273 62.036 62.300 0.015 0.000 1.008 505 V CB -0.256 31.578 31.823 0.017 0.000 0.990 505 V HN 0.358 nan 8.190 nan 0.000 0.477 506 L N 6.907 128.121 121.223 -0.015 0.000 2.453 506 L HA 0.364 4.704 4.340 0.001 0.000 0.261 506 L C -2.004 174.842 176.870 -0.040 0.000 1.179 506 L CA -1.624 53.196 54.840 -0.033 0.000 0.813 506 L CB 0.539 42.555 42.059 -0.071 0.000 1.110 506 L HN 0.444 nan 8.230 nan 0.000 0.466 507 P HA 0.085 nan 4.420 nan 0.000 0.275 507 P C -1.033 176.239 177.300 -0.045 0.000 1.227 507 P CA -0.567 62.516 63.100 -0.029 0.000 0.781 507 P CB 0.333 32.024 31.700 -0.015 0.000 0.906 508 K N 1.808 122.187 120.400 -0.036 0.000 2.440 508 K HA 0.277 4.598 4.320 0.001 0.000 0.275 508 K C 0.069 176.655 176.600 -0.024 0.000 1.082 508 K CA 0.634 56.898 56.287 -0.037 0.000 1.135 508 K CB -0.546 31.941 32.500 -0.021 0.000 0.864 508 K HN 0.565 nan 8.250 nan 0.000 0.479 509 A N 4.085 126.890 122.820 -0.024 0.000 2.455 509 A HA 0.319 4.640 4.320 0.001 0.000 0.300 509 A C -0.691 176.956 177.584 0.105 0.000 1.040 509 A CA -0.932 51.126 52.037 0.035 0.000 0.697 509 A CB 1.085 20.123 19.000 0.062 0.000 1.265 509 A HN 0.565 nan 8.150 nan 0.000 0.407 510 D N 1.140 121.593 120.400 0.090 0.000 2.357 510 D HA 0.111 4.752 4.640 0.001 0.000 0.242 510 D C 0.224 176.613 176.300 0.149 0.000 1.153 510 D CA 0.383 54.443 54.000 0.100 0.000 0.918 510 D CB 0.769 41.579 40.800 0.018 0.000 1.181 510 D HN 0.643 nan 8.370 nan 0.000 0.435 511 Q N 0.812 120.652 119.800 0.067 0.000 2.311 511 Q HA 0.071 4.411 4.340 0.001 0.000 0.272 511 Q C 0.277 176.148 176.000 -0.215 0.000 1.012 511 Q CA -0.164 55.486 55.803 -0.255 0.000 0.891 511 Q CB 0.928 29.500 28.738 -0.276 0.000 1.201 511 Q HN 0.232 nan 8.270 nan 0.000 0.391 512 V N 4.065 123.816 119.914 -0.271 0.000 3.212 512 V HA 0.068 4.189 4.120 0.001 0.000 0.244 512 V C -0.426 175.396 176.094 -0.453 0.000 1.151 512 V CA 0.256 62.360 62.300 -0.327 0.000 1.119 512 V CB 0.251 31.886 31.823 -0.314 0.000 0.838 512 V HN 0.686 nan 8.190 nan 0.000 0.470 513 W N 0.520 121.690 121.300 -0.218 0.000 2.411 513 W HA 0.529 5.190 4.660 0.001 0.000 0.317 513 W C -0.842 175.552 176.519 -0.208 0.000 1.030 513 W CA -0.464 56.777 57.345 -0.174 0.000 1.239 513 W CB 1.254 30.617 29.460 -0.161 0.000 1.304 513 W HN -0.075 nan 8.180 nan 0.000 0.437 514 D N 2.751 123.197 120.400 0.077 0.000 2.441 514 D HA 0.445 5.086 4.640 0.001 0.000 0.231 514 D C 0.991 177.328 176.300 0.061 0.000 1.073 514 D CA 0.918 54.911 54.000 -0.011 0.000 0.850 514 D CB 0.632 41.412 40.800 -0.032 0.000 1.062 514 D HN 0.565 nan 8.370 nan 0.000 0.524 515 G N 4.066 112.857 108.800 -0.015 0.000 2.634 515 G HA2 -0.406 3.555 3.960 0.001 0.000 0.318 515 G HA3 -0.406 3.555 3.960 0.001 0.000 0.318 515 G C 0.892 175.916 174.900 0.206 0.000 1.207 515 G CA 0.704 45.871 45.100 0.111 0.000 0.987 515 G HN 0.563 nan 8.290 nan 0.000 0.547 516 Q N 0.778 120.724 119.800 0.243 0.000 2.396 516 Q HA 0.090 4.431 4.340 0.001 0.000 0.209 516 Q C 0.882 177.102 176.000 0.368 0.000 0.906 516 Q CA 0.672 56.649 55.803 0.291 0.000 0.927 516 Q CB 0.226 29.108 28.738 0.240 0.000 1.069 516 Q HN 0.614 nan 8.270 nan 0.000 0.523 517 K N 0.989 121.545 120.400 0.260 0.000 2.090 517 K HA 0.348 4.669 4.320 0.001 0.000 0.250 517 K C -0.403 176.225 176.600 0.047 0.000 1.004 517 K CA -0.493 55.886 56.287 0.154 0.000 0.919 517 K CB 1.259 33.806 32.500 0.077 0.000 1.045 517 K HN -0.129 nan 8.250 nan 0.000 0.471 518 R N 1.339 121.763 120.500 -0.127 0.000 2.387 518 R HA 0.368 4.709 4.340 0.001 0.000 0.314 518 R C -0.031 176.124 176.300 -0.242 0.000 0.958 518 R CA -0.549 55.323 56.100 -0.379 0.000 0.846 518 R CB 0.750 30.769 30.300 -0.468 0.000 1.147 518 R HN 0.568 nan 8.270 nan 0.000 0.447 519 L N 0.000 121.069 121.223 -0.256 0.000 2.949 519 L HA 0.000 4.341 4.340 0.001 0.000 0.249 519 L CA 0.000 54.743 54.840 -0.162 0.000 0.813 519 L CB 0.000 41.973 42.059 -0.144 0.000 0.961 519 L HN 0.000 nan 8.230 nan 0.000 0.502