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 2wtz_1_D DATA FIRST_RESID 26 DATA SEQUENCE LRPNAVVGVR LAALADQVGA ALAEGPAQRA VTEDRTVTGV TLRAQDVSPG DATA SEQUENCE DLFAALTGST THGARHVGDA IARGAVAVLT DPAGVAEIAG RAAVPVLVHP DATA SEQUENCE APRGVLGGLA ATVYGHPSER LTVIGITGTS GKTTTTYLVE AGLRAAGRVA DATA SEQUENCE GLIGTIGIRV GGADLPSALT TPEAPTLQAM LAAMVERGVD TVVMEVSSHA DATA SEQUENCE LALGRVDGTR FAVGAFTNLS RDHLDFHPSM ADYFEAXASL FDPDSALRAR DATA SEQUENCE TAVVCIDDDA GRAMAARAAD AITVSAADRP AHWRATDVAP TDAGGQQFTA DATA SEQUENCE IDPAGVGHHI GIRLPGRYNV ANCLVALAIL DTVGVSPEQA VPGLREIRVP DATA SEQUENCE GRLEQIXXXX XXLALVDYAH KPEALRSVLT TXXXXXXXLA VVFGAGGDRD DATA SEQUENCE PGKRAPMGRI AAQLADLVVV TDDNPRDEDP TAXXXXXXXX XXXXXXDAQV DATA SEQUENCE VEIADRRDAI RHAVAWARPG DVVLIAGKGH ETGQRXXXXX XXFDDRVELA DATA SEQUENCE AA 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 L HA 0.000 nan 4.340 nan 0.000 0.249 26 L C 0.000 176.831 176.870 -0.065 0.000 1.165 26 L CA 0.000 54.810 54.840 -0.049 0.000 0.813 26 L CB 0.000 42.025 42.059 -0.057 0.000 0.961 27 R N 3.826 124.297 120.500 -0.049 0.000 2.686 27 R HA 0.880 5.220 4.340 -0.000 0.000 0.283 27 R C -2.713 173.572 176.300 -0.026 0.000 0.978 27 R CA -1.642 54.430 56.100 -0.046 0.000 0.897 27 R CB 2.035 32.329 30.300 -0.010 0.000 1.192 27 R HN 0.196 nan 8.270 nan 0.000 0.457 28 P HA 0.178 nan 4.420 nan 0.000 0.277 28 P C -0.975 176.348 177.300 0.038 0.000 1.240 28 P CA -0.257 62.851 63.100 0.014 0.000 0.798 28 P CB 0.813 32.537 31.700 0.041 0.000 0.979 29 N N 0.498 119.213 118.700 0.026 0.000 2.235 29 N HA 0.292 5.032 4.740 -0.000 0.000 0.231 29 N C -0.059 175.465 175.510 0.023 0.000 1.177 29 N CA -0.585 52.479 53.050 0.025 0.000 0.874 29 N CB 0.671 39.166 38.487 0.013 0.000 1.097 29 N HN 0.323 nan 8.380 nan 0.000 0.518 30 A N 1.063 123.901 122.820 0.029 0.000 3.365 30 A HA 0.252 4.572 4.320 -0.000 0.000 0.258 30 A C -0.440 177.161 177.584 0.029 0.000 0.964 30 A CA -0.478 51.573 52.037 0.022 0.000 0.988 30 A CB 0.222 19.231 19.000 0.015 0.000 1.193 30 A HN 0.179 nan 8.150 nan 0.000 0.508 31 V N 1.833 121.768 119.914 0.035 0.000 2.385 31 V HA 0.590 4.710 4.120 -0.000 0.000 0.269 31 V C 0.226 176.314 176.094 -0.010 0.000 1.043 31 V CA -0.316 61.998 62.300 0.023 0.000 0.906 31 V CB 0.966 32.812 31.823 0.039 0.000 0.995 31 V HN 0.838 nan 8.190 nan 0.000 0.467 32 V N 5.250 125.155 119.914 -0.014 0.000 2.715 32 V HA 0.715 4.835 4.120 -0.000 0.000 0.299 32 V C 1.192 177.257 176.094 -0.047 0.000 1.054 32 V CA 0.310 62.596 62.300 -0.023 0.000 1.077 32 V CB 0.139 31.953 31.823 -0.014 0.000 0.972 32 V HN 1.056 nan 8.190 nan 0.000 0.484 33 G N 2.546 111.318 108.800 -0.047 0.000 2.479 33 G HA2 0.490 4.450 3.960 -0.000 0.000 0.275 33 G HA3 0.490 4.450 3.960 -0.000 0.000 0.275 33 G C -0.532 174.329 174.900 -0.066 0.000 1.421 33 G CA -0.248 44.813 45.100 -0.065 0.000 1.059 33 G HN 1.199 nan 8.290 nan 0.000 0.535 34 V N -0.109 119.765 119.914 -0.066 0.000 2.817 34 V HA 0.314 4.434 4.120 -0.000 0.000 0.303 34 V C -0.330 175.740 176.094 -0.040 0.000 1.151 34 V CA -0.966 61.303 62.300 -0.052 0.000 0.929 34 V CB 1.947 33.730 31.823 -0.068 0.000 1.030 34 V HN 0.874 nan 8.190 nan 0.000 0.427 35 R N 3.207 123.692 120.500 -0.025 0.000 2.570 35 R HA 0.166 4.506 4.340 -0.000 0.000 0.277 35 R C 1.103 177.393 176.300 -0.018 0.000 1.039 35 R CA -0.510 55.580 56.100 -0.018 0.000 1.065 35 R CB 0.369 30.663 30.300 -0.010 0.000 0.964 35 R HN 0.621 nan 8.270 nan 0.000 0.428 36 L N 3.825 125.039 121.223 -0.015 0.000 2.043 36 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 36 L C 2.245 179.112 176.870 -0.005 0.000 1.075 36 L CA 2.481 57.314 54.840 -0.011 0.000 0.752 36 L CB -0.800 41.256 42.059 -0.005 0.000 0.891 36 L HN 0.927 nan 8.230 nan 0.000 0.432 37 A N -0.821 121.998 122.820 -0.002 0.000 1.978 37 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 37 A C 2.450 180.035 177.584 0.003 0.000 1.170 37 A CA 1.872 53.911 52.037 0.002 0.000 0.636 37 A CB -1.086 17.916 19.000 0.003 0.000 0.810 37 A HN 0.606 nan 8.150 nan 0.000 0.448 38 A N -0.494 122.325 122.820 -0.001 0.000 1.858 38 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 38 A C 2.011 179.595 177.584 0.000 0.000 1.190 38 A CA 1.697 53.734 52.037 0.000 0.000 0.617 38 A CB -0.604 18.394 19.000 -0.003 0.000 0.827 38 A HN 0.385 nan 8.150 nan 0.000 0.443 39 L N -0.219 120.999 121.223 -0.008 0.000 1.989 39 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 39 L C 3.048 179.919 176.870 0.002 0.000 1.071 39 L CA 2.071 56.904 54.840 -0.011 0.000 0.749 39 L CB -1.441 40.602 42.059 -0.025 0.000 0.890 39 L HN 0.433 nan 8.230 nan 0.000 0.431 40 A N -0.748 122.077 122.820 0.008 0.000 1.892 40 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 40 A C 2.059 179.661 177.584 0.030 0.000 1.188 40 A CA 2.106 54.156 52.037 0.022 0.000 0.631 40 A CB -0.781 18.230 19.000 0.020 0.000 0.822 40 A HN 0.449 nan 8.150 nan 0.000 0.447 41 D N -1.022 119.391 120.400 0.022 0.000 2.123 41 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 41 D C 2.066 178.385 176.300 0.030 0.000 0.992 41 D CA 1.600 55.614 54.000 0.024 0.000 0.833 41 D CB -0.450 40.360 40.800 0.017 0.000 0.954 41 D HN 0.716 nan 8.370 nan 0.000 0.455 42 Q N 0.452 120.267 119.800 0.025 0.000 2.135 42 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 42 Q C 1.727 177.751 176.000 0.040 0.000 0.981 42 Q CA 1.677 57.496 55.803 0.027 0.000 0.856 42 Q CB 0.240 28.989 28.738 0.017 0.000 0.902 42 Q HN 0.321 nan 8.270 nan 0.000 0.425 43 V N -4.211 115.733 119.914 0.049 0.000 3.578 43 V HA 0.442 4.562 4.120 -0.000 0.000 0.290 43 V C 0.912 177.128 176.094 0.203 0.000 1.376 43 V CA 0.402 62.756 62.300 0.090 0.000 1.083 43 V CB -0.042 31.773 31.823 -0.013 0.000 0.911 43 V HN 0.360 nan 8.190 nan 0.000 0.433 44 G N 0.802 109.672 108.800 0.116 0.000 2.273 44 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.280 44 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.280 44 G C 0.357 175.308 174.900 0.085 0.000 1.047 44 G CA 0.434 45.584 45.100 0.084 0.000 0.869 44 G HN 1.619 nan 8.290 nan 0.000 0.502 45 A N -0.530 122.358 122.820 0.114 0.000 2.386 45 A HA 0.860 5.180 4.320 -0.000 0.000 0.248 45 A C 0.904 178.515 177.584 0.046 0.000 1.082 45 A CA 0.758 52.859 52.037 0.106 0.000 0.789 45 A CB 0.729 19.797 19.000 0.112 0.000 1.025 45 A HN 2.121 nan 8.150 nan 0.000 0.490 46 A N 1.043 123.881 122.820 0.029 0.000 2.293 46 A HA 0.612 4.932 4.320 -0.000 0.000 0.302 46 A C -0.519 177.078 177.584 0.021 0.000 1.119 46 A CA -0.468 51.578 52.037 0.015 0.000 0.823 46 A CB 0.224 19.224 19.000 0.001 0.000 1.097 46 A HN 0.688 nan 8.150 nan 0.000 0.491 47 L N 1.753 122.985 121.223 0.015 0.000 2.276 47 L HA 0.425 4.765 4.340 -0.000 0.000 0.286 47 L C 1.616 178.493 176.870 0.012 0.000 1.061 47 L CA 0.650 55.499 54.840 0.015 0.000 0.807 47 L CB 0.704 42.771 42.059 0.013 0.000 1.177 47 L HN 0.888 nan 8.230 nan 0.000 0.429 48 A N 3.079 125.907 122.820 0.013 0.000 1.986 48 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 48 A C 1.606 179.195 177.584 0.008 0.000 1.171 48 A CA 1.492 53.535 52.037 0.010 0.000 0.640 48 A CB -0.195 18.812 19.000 0.012 0.000 0.811 48 A HN 0.760 nan 8.150 nan 0.000 0.451 49 E N -1.104 119.101 120.200 0.009 0.000 2.472 49 E HA 0.312 4.662 4.350 -0.000 0.000 0.196 49 E C 1.199 177.802 176.600 0.006 0.000 1.033 49 E CA 0.654 57.058 56.400 0.007 0.000 0.886 49 E CB -0.206 29.499 29.700 0.008 0.000 0.944 49 E HN 0.735 nan 8.360 nan 0.000 0.492 50 G N 2.036 110.840 108.800 0.006 0.000 2.725 50 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 50 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 50 G C -1.789 173.115 174.900 0.005 0.000 1.357 50 G CA -0.250 44.853 45.100 0.005 0.000 0.866 50 G HN -0.022 nan 8.290 nan 0.000 0.548 51 P HA -0.294 nan 4.420 nan 0.000 0.224 51 P C 2.113 179.416 177.300 0.004 0.000 1.153 51 P CA 3.669 66.772 63.100 0.004 0.000 0.947 51 P CB -0.577 31.125 31.700 0.003 0.000 0.790 52 A N -0.757 122.066 122.820 0.004 0.000 2.148 52 A HA -0.225 4.095 4.320 -0.000 0.000 0.222 52 A C 2.082 179.668 177.584 0.005 0.000 1.161 52 A CA 1.607 53.646 52.037 0.004 0.000 0.662 52 A CB -0.983 18.019 19.000 0.004 0.000 0.799 52 A HN 0.349 nan 8.150 nan 0.000 0.466 53 Q N -1.530 118.274 119.800 0.006 0.000 2.159 53 Q HA 0.118 4.458 4.340 -0.000 0.000 0.217 53 Q C 1.031 177.035 176.000 0.007 0.000 0.818 53 Q CA -0.313 55.494 55.803 0.007 0.000 1.008 53 Q CB 0.395 29.138 28.738 0.008 0.000 1.148 53 Q HN 0.588 nan 8.270 nan 0.000 0.491 54 R N -0.331 120.172 120.500 0.006 0.000 2.189 54 R HA 0.020 4.360 4.340 -0.000 0.000 0.218 54 R C 1.763 178.066 176.300 0.005 0.000 1.074 54 R CA 0.914 57.017 56.100 0.006 0.000 0.991 54 R CB -0.133 30.171 30.300 0.006 0.000 0.883 54 R HN 0.121 nan 8.270 nan 0.000 0.457 55 A N 1.032 123.855 122.820 0.005 0.000 1.968 55 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 55 A C 2.243 179.829 177.584 0.004 0.000 1.169 55 A CA 1.358 53.397 52.037 0.004 0.000 0.638 55 A CB -0.365 18.637 19.000 0.003 0.000 0.812 55 A HN 0.190 nan 8.150 nan 0.000 0.446 56 V N -0.846 119.071 119.914 0.005 0.000 2.788 56 V HA -0.083 4.037 4.120 -0.000 0.000 0.251 56 V C 2.095 178.192 176.094 0.005 0.000 1.068 56 V CA 2.679 64.982 62.300 0.005 0.000 1.090 56 V CB -0.887 30.939 31.823 0.006 0.000 0.710 56 V HN 0.510 nan 8.190 nan 0.000 0.467 57 T N 0.256 114.813 114.554 0.005 0.000 2.821 57 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 57 T C 1.699 176.400 174.700 0.002 0.000 1.046 57 T CA 1.863 63.966 62.100 0.005 0.000 1.139 57 T CB -0.234 68.639 68.868 0.007 0.000 0.871 57 T HN 0.544 nan 8.240 nan 0.000 0.454 58 E N 0.558 120.760 120.200 0.002 0.000 2.418 58 E HA -0.072 4.278 4.350 -0.000 0.000 0.197 58 E C 1.747 178.346 176.600 -0.000 0.000 1.026 58 E CA 0.465 56.866 56.400 0.001 0.000 0.862 58 E CB -0.008 29.693 29.700 0.002 0.000 0.799 58 E HN 0.262 nan 8.360 nan 0.000 0.518 59 D N -0.654 119.746 120.400 0.000 0.000 2.259 59 D HA 0.010 4.649 4.640 -0.000 0.000 0.216 59 D C 0.200 176.499 176.300 -0.002 0.000 0.961 59 D CA 0.274 54.273 54.000 -0.001 0.000 0.878 59 D CB 0.402 41.202 40.800 0.001 0.000 1.009 59 D HN -0.060 nan 8.370 nan 0.000 0.490 60 R N 0.565 121.064 120.500 -0.002 0.000 2.594 60 R HA 0.284 4.624 4.340 -0.000 0.000 0.272 60 R C -0.115 176.179 176.300 -0.009 0.000 1.074 60 R CA 0.263 56.360 56.100 -0.004 0.000 1.105 60 R CB 0.514 30.814 30.300 -0.000 0.000 1.008 60 R HN -0.000 nan 8.270 nan 0.000 0.472 61 T N 1.324 115.871 114.554 -0.013 0.000 2.829 61 T HA 0.327 4.677 4.350 -0.000 0.000 0.280 61 T C -0.239 174.443 174.700 -0.030 0.000 0.999 61 T CA -0.599 61.488 62.100 -0.022 0.000 0.983 61 T CB 1.984 70.839 68.868 -0.022 0.000 0.968 61 T HN 0.155 nan 8.240 nan 0.000 0.446 62 V N 3.684 123.570 119.914 -0.046 0.000 2.370 62 V HA 0.389 4.509 4.120 -0.000 0.000 0.279 62 V C 1.226 177.259 176.094 -0.101 0.000 1.029 62 V CA -0.476 61.786 62.300 -0.063 0.000 0.870 62 V CB 1.160 32.941 31.823 -0.070 0.000 0.984 62 V HN 1.164 nan 8.190 nan 0.000 0.451 63 T N 0.242 114.738 114.554 -0.097 0.000 3.084 63 T HA 0.544 4.894 4.350 -0.000 0.000 0.270 63 T C 0.458 175.055 174.700 -0.172 0.000 1.008 63 T CA 0.286 62.312 62.100 -0.123 0.000 0.900 63 T CB 0.431 69.264 68.868 -0.059 0.000 1.084 63 T HN 0.993 nan 8.240 nan 0.000 0.538 64 G N 0.172 108.859 108.800 -0.188 0.000 2.576 64 G HA2 0.546 4.506 3.960 -0.000 0.000 0.290 64 G HA3 0.546 4.506 3.960 -0.000 0.000 0.290 64 G C -2.141 172.706 174.900 -0.087 0.000 1.442 64 G CA -0.606 44.402 45.100 -0.154 0.000 0.792 64 G HN 0.306 nan 8.290 nan 0.000 0.491 65 V N -0.144 119.814 119.914 0.073 0.000 2.760 65 V HA 0.863 4.983 4.120 -0.000 0.000 0.309 65 V C -0.197 175.999 176.094 0.171 0.000 1.077 65 V CA -0.527 61.836 62.300 0.105 0.000 0.910 65 V CB 1.798 33.669 31.823 0.079 0.000 1.008 65 V HN 1.122 nan 8.190 nan 0.000 0.424 66 T N 3.749 118.400 114.554 0.161 0.000 2.923 66 T HA 0.538 4.887 4.350 -0.000 0.000 0.311 66 T C -0.160 174.682 174.700 0.237 0.000 1.183 66 T CA -0.457 61.746 62.100 0.173 0.000 1.020 66 T CB 1.689 70.648 68.868 0.151 0.000 1.165 66 T HN 0.831 nan 8.240 nan 0.000 0.482 67 L N 2.125 123.457 121.223 0.183 0.000 2.965 67 L HA 0.667 5.007 4.340 -0.000 0.000 0.254 67 L C 0.352 177.400 176.870 0.297 0.000 1.220 67 L CA -0.643 54.298 54.840 0.168 0.000 1.023 67 L CB 0.070 42.151 42.059 0.036 0.000 1.355 67 L HN 0.406 nan 8.230 nan 0.000 0.545 68 R N 0.338 121.020 120.500 0.305 0.000 2.483 68 R HA 0.590 4.930 4.340 -0.000 0.000 0.303 68 R C 0.828 177.108 176.300 -0.032 0.000 0.987 68 R CA 0.409 56.602 56.100 0.156 0.000 0.881 68 R CB 1.869 32.191 30.300 0.037 0.000 1.177 68 R HN 0.165 nan 8.270 nan 0.000 0.451 69 A N 3.289 125.943 122.820 -0.278 0.000 1.917 69 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 69 A C 1.475 178.874 177.584 -0.308 0.000 1.182 69 A CA 1.534 53.176 52.037 -0.658 0.000 0.633 69 A CB -0.208 18.454 19.000 -0.562 0.000 0.819 69 A HN 0.821 nan 8.150 nan 0.000 0.448 70 Q N -0.245 119.450 119.800 -0.175 0.000 2.436 70 Q HA -0.036 4.304 4.340 -0.000 0.000 0.209 70 Q C 0.628 176.583 176.000 -0.075 0.000 0.965 70 Q CA 1.182 56.924 55.803 -0.102 0.000 0.910 70 Q CB 0.021 28.716 28.738 -0.070 0.000 0.980 70 Q HN 0.605 nan 8.270 nan 0.000 0.491 71 D N -0.785 119.573 120.400 -0.070 0.000 2.360 71 D HA -0.004 4.636 4.640 -0.000 0.000 0.210 71 D C 0.095 176.380 176.300 -0.025 0.000 1.047 71 D CA 0.073 54.054 54.000 -0.032 0.000 0.854 71 D CB 0.334 41.131 40.800 -0.005 0.000 0.936 71 D HN 0.165 nan 8.370 nan 0.000 0.514 72 V N -0.390 119.489 119.914 -0.058 0.000 2.655 72 V HA 0.327 4.446 4.120 -0.000 0.000 0.300 72 V C 0.282 176.365 176.094 -0.018 0.000 1.044 72 V CA -0.166 62.115 62.300 -0.032 0.000 1.095 72 V CB 1.337 33.123 31.823 -0.062 0.000 0.952 72 V HN -0.119 nan 8.190 nan 0.000 0.485 73 S N 5.598 121.301 115.700 0.006 0.000 2.621 73 S HA 0.681 5.151 4.470 -0.000 0.000 0.302 73 S C -2.673 171.931 174.600 0.007 0.000 1.093 73 S CA -1.345 56.859 58.200 0.006 0.000 1.017 73 S CB 1.794 65.005 63.200 0.019 0.000 1.077 73 S HN 0.856 nan 8.310 nan 0.000 0.517 74 P HA 0.242 nan 4.420 nan 0.000 0.264 74 P C 0.571 177.873 177.300 0.004 0.000 1.193 74 P CA 0.902 64.004 63.100 0.002 0.000 0.763 74 P CB 0.376 32.076 31.700 -0.000 0.000 0.810 75 G N 1.706 110.509 108.800 0.004 0.000 2.184 75 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.206 75 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.206 75 G C -0.159 174.738 174.900 -0.005 0.000 0.995 75 G CA -0.463 44.635 45.100 -0.003 0.000 0.651 75 G HN 0.475 nan 8.290 nan 0.000 0.511 76 D N 0.333 120.741 120.400 0.013 0.000 2.304 76 D HA 0.464 5.104 4.640 -0.000 0.000 0.247 76 D C 0.583 176.913 176.300 0.049 0.000 1.089 76 D CA -0.352 53.665 54.000 0.028 0.000 0.910 76 D CB 1.250 42.084 40.800 0.057 0.000 1.199 76 D HN 0.191 nan 8.370 nan 0.000 0.426 77 L N 2.899 124.149 121.223 0.045 0.000 2.290 77 L HA 0.301 4.641 4.340 -0.000 0.000 0.284 77 L C -0.699 176.265 176.870 0.156 0.000 1.078 77 L CA -0.569 54.312 54.840 0.069 0.000 0.815 77 L CB 0.267 42.335 42.059 0.015 0.000 1.162 77 L HN 0.346 nan 8.230 nan 0.000 0.435 78 F N 5.084 125.043 119.950 0.014 0.000 2.404 78 F HA 0.481 5.008 4.527 -0.000 0.000 0.358 78 F C 0.355 176.173 175.800 0.030 0.000 1.120 78 F CA -0.882 57.133 58.000 0.025 0.000 1.144 78 F CB 1.120 40.141 39.000 0.034 0.000 1.133 78 F HN 0.587 nan 8.300 nan 0.000 0.495 79 A N 6.014 128.618 122.820 -0.361 0.000 2.415 79 A HA 0.595 4.915 4.320 -0.000 0.000 0.309 79 A C -0.018 177.017 177.584 -0.914 0.000 1.356 79 A CA -0.280 51.485 52.037 -0.454 0.000 0.998 79 A CB -0.399 18.484 19.000 -0.194 0.000 1.145 79 A HN 0.979 nan 8.150 nan 0.000 0.545 80 A N 4.415 126.704 122.820 -0.885 0.000 2.539 80 A HA 0.560 4.880 4.320 -0.000 0.000 0.306 80 A C 0.058 177.524 177.584 -0.198 0.000 1.392 80 A CA -0.145 51.527 52.037 -0.609 0.000 1.060 80 A CB -0.381 18.461 19.000 -0.265 0.000 1.134 80 A HN 0.799 nan 8.150 nan 0.000 0.542 81 L N 1.842 122.917 121.223 -0.247 0.000 2.352 81 L HA 0.539 4.879 4.340 -0.000 0.000 0.269 81 L C 1.091 177.580 176.870 -0.636 0.000 1.034 81 L CA -0.748 53.916 54.840 -0.294 0.000 0.806 81 L CB 1.905 43.855 42.059 -0.181 0.000 1.244 81 L HN 0.717 nan 8.230 nan 0.000 0.447 82 T N -0.712 113.452 114.554 -0.651 0.000 2.913 82 T HA 0.679 5.029 4.350 -0.000 0.000 0.287 82 T C -0.027 174.534 174.700 -0.231 0.000 1.008 82 T CA -0.162 61.564 62.100 -0.623 0.000 1.067 82 T CB 1.617 70.320 68.868 -0.274 0.000 0.996 82 T HN 0.796 nan 8.240 nan 0.000 0.513 83 G N 0.614 109.341 108.800 -0.123 0.000 2.727 83 G HA2 0.478 4.438 3.960 -0.000 0.000 0.289 83 G HA3 0.478 4.438 3.960 -0.000 0.000 0.289 83 G C 0.496 175.401 174.900 0.009 0.000 1.418 83 G CA -0.401 44.678 45.100 -0.036 0.000 0.818 83 G HN 0.628 nan 8.290 nan 0.000 0.486 84 S N -1.198 114.521 115.700 0.032 0.000 2.447 84 S HA -0.066 4.404 4.470 -0.000 0.000 0.233 84 S C 2.161 176.788 174.600 0.044 0.000 1.006 84 S CA 1.898 60.125 58.200 0.045 0.000 0.957 84 S CB 0.024 63.260 63.200 0.060 0.000 0.773 84 S HN 0.886 nan 8.310 nan 0.000 0.507 85 T N -1.034 113.546 114.554 0.043 0.000 2.955 85 T HA 0.232 4.582 4.350 -0.000 0.000 0.251 85 T C 0.524 175.265 174.700 0.067 0.000 1.002 85 T CA 0.941 63.071 62.100 0.050 0.000 0.970 85 T CB 0.444 69.337 68.868 0.043 0.000 1.091 85 T HN 0.355 nan 8.240 nan 0.000 0.495 86 T N -0.361 114.239 114.554 0.077 0.000 2.653 86 T HA 0.338 4.688 4.350 -0.000 0.000 0.306 86 T C -2.320 172.463 174.700 0.139 0.000 1.426 86 T CA -0.643 61.531 62.100 0.123 0.000 1.008 86 T CB 1.261 70.228 68.868 0.165 0.000 1.692 86 T HN 0.175 nan 8.240 nan 0.000 0.483 87 H N -0.493 118.643 119.070 0.110 0.000 2.609 87 H HA 0.466 5.022 4.556 -0.000 0.000 0.344 87 H C 1.291 176.728 175.328 0.180 0.000 1.040 87 H CA 0.372 56.483 56.048 0.104 0.000 1.216 87 H CB 1.633 31.437 29.762 0.070 0.000 1.529 87 H HN 0.901 nan 8.280 nan 0.000 0.519 88 G N 2.897 111.889 108.800 0.319 0.000 2.479 88 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.220 88 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.220 88 G C 1.484 176.704 174.900 0.534 0.000 1.115 88 G CA 0.747 46.098 45.100 0.417 0.000 0.757 88 G HN 0.658 nan 8.290 nan 0.000 0.560 89 A N 0.719 123.858 122.820 0.532 0.000 2.070 89 A HA 0.002 4.321 4.320 -0.000 0.000 0.220 89 A C 2.355 180.048 177.584 0.183 0.000 1.159 89 A CA 1.290 53.476 52.037 0.250 0.000 0.656 89 A CB -0.308 18.657 19.000 -0.058 0.000 0.800 89 A HN 0.395 nan 8.150 nan 0.000 0.453 90 R N -0.907 119.695 120.500 0.170 0.000 2.316 90 R HA -0.016 4.324 4.340 -0.000 0.000 0.202 90 R C 0.592 176.803 176.300 -0.148 0.000 1.029 90 R CA 0.960 57.053 56.100 -0.011 0.000 1.018 90 R CB -0.156 30.100 30.300 -0.074 0.000 0.888 90 R HN 0.666 nan 8.270 nan 0.000 0.471 91 H N -0.995 118.178 119.070 0.171 0.000 2.528 91 H HA 0.139 4.695 4.556 -0.000 0.000 0.282 91 H C 1.465 176.829 175.328 0.060 0.000 1.097 91 H CA -0.088 56.019 56.048 0.097 0.000 1.121 91 H CB 0.801 30.613 29.762 0.084 0.000 1.590 91 H HN -0.040 nan 8.280 nan 0.000 0.553 92 V N 0.612 120.678 119.914 0.254 0.000 2.332 92 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 92 V C 2.700 178.837 176.094 0.072 0.000 1.055 92 V CA 2.133 64.567 62.300 0.224 0.000 1.038 92 V CB -0.733 31.227 31.823 0.227 0.000 0.651 92 V HN 0.559 nan 8.190 nan 0.000 0.450 93 G N -0.402 108.422 108.800 0.041 0.000 2.476 93 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.218 93 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.218 93 G C 1.353 176.244 174.900 -0.015 0.000 1.164 93 G CA 1.350 46.456 45.100 0.009 0.000 0.768 93 G HN 0.560 nan 8.290 nan 0.000 0.560 94 D N 0.638 121.021 120.400 -0.027 0.000 2.117 94 D HA 0.054 4.694 4.640 -0.000 0.000 0.198 94 D C 2.764 178.995 176.300 -0.115 0.000 0.982 94 D CA 1.408 55.377 54.000 -0.053 0.000 0.828 94 D CB -0.486 40.299 40.800 -0.024 0.000 0.967 94 D HN 0.233 nan 8.370 nan 0.000 0.464 95 A N 0.487 123.176 122.820 -0.218 0.000 1.883 95 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 95 A C 2.514 180.035 177.584 -0.105 0.000 1.186 95 A CA 1.507 53.371 52.037 -0.288 0.000 0.624 95 A CB -0.951 17.712 19.000 -0.562 0.000 0.822 95 A HN 0.387 nan 8.150 nan 0.000 0.444 96 I N -0.365 120.181 120.570 -0.040 0.000 2.264 96 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 96 I C 2.833 178.942 176.117 -0.014 0.000 1.111 96 I CA 1.103 62.401 61.300 -0.003 0.000 1.382 96 I CB -0.268 37.743 38.000 0.018 0.000 1.060 96 I HN 0.380 nan 8.210 nan 0.000 0.418 97 A N 0.584 123.388 122.820 -0.026 0.000 2.016 97 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 97 A C 2.212 179.781 177.584 -0.026 0.000 1.162 97 A CA 0.816 52.840 52.037 -0.021 0.000 0.662 97 A CB -0.354 18.634 19.000 -0.020 0.000 0.812 97 A HN 0.332 nan 8.150 nan 0.000 0.450 98 R N -1.191 119.285 120.500 -0.041 0.000 2.313 98 R HA 0.196 4.536 4.340 -0.000 0.000 0.199 98 R C 1.099 177.384 176.300 -0.026 0.000 0.958 98 R CA 0.560 56.636 56.100 -0.039 0.000 1.047 98 R CB 0.023 30.287 30.300 -0.060 0.000 0.955 98 R HN 0.635 nan 8.270 nan 0.000 0.481 99 G N 0.086 108.875 108.800 -0.019 0.000 2.192 99 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.193 99 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.193 99 G C 0.203 175.105 174.900 0.003 0.000 0.999 99 G CA -0.255 44.841 45.100 -0.006 0.000 0.659 99 G HN 0.445 nan 8.290 nan 0.000 0.503 100 A N 0.467 123.290 122.820 0.005 0.000 2.546 100 A HA 0.539 4.859 4.320 -0.000 0.000 0.243 100 A C 1.833 179.439 177.584 0.037 0.000 1.063 100 A CA 0.910 52.967 52.037 0.033 0.000 0.757 100 A CB 0.458 19.494 19.000 0.060 0.000 0.991 100 A HN 1.596 nan 8.150 nan 0.000 0.503 101 V N -0.246 119.689 119.914 0.035 0.000 3.129 101 V HA 0.491 4.611 4.120 -0.000 0.000 0.259 101 V C 0.850 176.965 176.094 0.035 0.000 1.116 101 V CA 1.130 63.445 62.300 0.026 0.000 1.127 101 V CB -1.729 30.101 31.823 0.012 0.000 0.742 101 V HN 1.830 nan 8.190 nan 0.000 0.474 102 A N -1.058 121.795 122.820 0.055 0.000 2.566 102 A HA 0.768 5.088 4.320 -0.000 0.000 0.290 102 A C -1.356 176.283 177.584 0.092 0.000 1.071 102 A CA -0.247 51.825 52.037 0.058 0.000 0.658 102 A CB 1.585 20.605 19.000 0.034 0.000 1.285 102 A HN 0.394 nan 8.150 nan 0.000 0.427 103 V N 1.132 121.092 119.914 0.076 0.000 2.709 103 V HA 0.586 4.705 4.120 -0.000 0.000 0.308 103 V C -0.856 175.245 176.094 0.012 0.000 1.062 103 V CA -0.578 61.765 62.300 0.072 0.000 0.901 103 V CB 1.801 33.689 31.823 0.108 0.000 1.003 103 V HN 0.820 nan 8.190 nan 0.000 0.425 104 L N 4.093 125.289 121.223 -0.045 0.000 2.319 104 L HA 0.774 5.113 4.340 -0.000 0.000 0.281 104 L C -0.441 176.387 176.870 -0.071 0.000 1.005 104 L CA 0.485 55.298 54.840 -0.046 0.000 0.828 104 L CB 1.515 43.538 42.059 -0.059 0.000 1.227 104 L HN 0.884 nan 8.230 nan 0.000 0.415 105 T N 2.195 116.745 114.554 -0.008 0.000 2.696 105 T HA 0.494 4.844 4.350 -0.000 0.000 0.291 105 T C -1.276 173.469 174.700 0.074 0.000 1.095 105 T CA -0.438 61.678 62.100 0.027 0.000 1.026 105 T CB 1.662 70.559 68.868 0.048 0.000 1.390 105 T HN 0.747 nan 8.240 nan 0.000 0.513 106 D N 0.225 120.693 120.400 0.112 0.000 2.549 106 D HA 0.460 5.100 4.640 -0.000 0.000 0.270 106 D C -1.996 174.347 176.300 0.072 0.000 1.181 106 D CA -1.769 52.293 54.000 0.103 0.000 1.070 106 D CB -0.315 40.556 40.800 0.118 0.000 1.154 106 D HN 0.138 nan 8.370 nan 0.000 0.602 107 P HA -0.113 nan 4.420 nan 0.000 0.218 107 P C 1.093 178.400 177.300 0.013 0.000 1.148 107 P CA 2.208 65.322 63.100 0.024 0.000 0.822 107 P CB -0.064 31.647 31.700 0.018 0.000 0.784 108 A N -0.324 122.521 122.820 0.042 0.000 1.930 108 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 108 A C 2.474 179.947 177.584 -0.186 0.000 1.175 108 A CA 1.828 53.861 52.037 -0.006 0.000 0.627 108 A CB -1.807 17.254 19.000 0.101 0.000 0.815 108 A HN 0.259 nan 8.150 nan 0.000 0.443 109 G N 0.293 108.994 108.800 -0.165 0.000 2.491 109 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 109 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 109 G C 1.661 176.478 174.900 -0.140 0.000 1.180 109 G CA 2.343 47.282 45.100 -0.268 0.000 0.774 109 G HN 1.039 nan 8.290 nan 0.000 0.562 110 V N -0.685 119.194 119.914 -0.058 0.000 2.407 110 V HA 0.028 4.148 4.120 -0.000 0.000 0.248 110 V C 2.956 179.021 176.094 -0.049 0.000 1.055 110 V CA 1.985 64.263 62.300 -0.036 0.000 1.049 110 V CB -1.192 30.624 31.823 -0.012 0.000 0.662 110 V HN 0.445 nan 8.190 nan 0.000 0.455 111 A N 0.348 123.130 122.820 -0.063 0.000 1.902 111 A HA -0.169 4.150 4.320 -0.000 0.000 0.217 111 A C 2.220 179.762 177.584 -0.071 0.000 1.181 111 A CA 1.841 53.843 52.037 -0.057 0.000 0.623 111 A CB -0.553 18.416 19.000 -0.052 0.000 0.818 111 A HN 0.625 nan 8.150 nan 0.000 0.443 112 E N -0.139 119.989 120.200 -0.121 0.000 2.106 112 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 112 E C 1.916 178.478 176.600 -0.063 0.000 0.984 112 E CA 1.010 57.344 56.400 -0.109 0.000 0.806 112 E CB -0.347 29.246 29.700 -0.179 0.000 0.750 112 E HN 0.738 nan 8.360 nan 0.000 0.458 113 I N 0.968 121.506 120.570 -0.054 0.000 2.614 113 I HA -0.185 3.985 4.170 -0.000 0.000 0.258 113 I C 1.590 177.698 176.117 -0.015 0.000 1.189 113 I CA 0.484 61.772 61.300 -0.019 0.000 1.462 113 I CB -0.400 37.599 38.000 -0.002 0.000 1.092 113 I HN -0.013 nan 8.210 nan 0.000 0.442 114 A N 0.768 123.574 122.820 -0.022 0.000 5.391 114 A HA -0.283 4.037 4.320 -0.000 0.000 0.315 114 A C 1.244 178.823 177.584 -0.008 0.000 1.874 114 A CA 1.204 53.232 52.037 -0.016 0.000 0.714 114 A CB -2.096 16.896 19.000 -0.013 0.000 1.335 114 A HN 0.425 nan 8.150 nan 0.000 0.382 115 G N -1.052 107.745 108.800 -0.005 0.000 2.529 115 G HA2 0.432 4.392 3.960 -0.000 0.000 0.234 115 G HA3 0.432 4.392 3.960 -0.000 0.000 0.234 115 G C 0.199 175.100 174.900 0.003 0.000 1.527 115 G CA 0.226 45.326 45.100 -0.001 0.000 1.062 115 G HN 1.069 nan 8.290 nan 0.000 0.558 116 R N 0.183 120.686 120.500 0.005 0.000 2.526 116 R HA 0.310 4.650 4.340 -0.000 0.000 0.319 116 R C 0.582 176.889 176.300 0.012 0.000 0.888 116 R CA 0.597 56.702 56.100 0.009 0.000 1.127 116 R CB -0.265 30.040 30.300 0.007 0.000 0.888 116 R HN 0.564 nan 8.270 nan 0.000 0.410 117 A N 2.756 125.587 122.820 0.019 0.000 2.302 117 A HA 0.548 4.868 4.320 -0.000 0.000 0.285 117 A C 1.070 178.668 177.584 0.023 0.000 1.105 117 A CA -0.067 51.986 52.037 0.026 0.000 0.816 117 A CB 0.988 20.013 19.000 0.041 0.000 1.067 117 A HN 0.806 nan 8.150 nan 0.000 0.489 118 A N 0.983 123.816 122.820 0.023 0.000 2.209 118 A HA 0.350 4.670 4.320 -0.000 0.000 0.212 118 A C 0.961 178.558 177.584 0.021 0.000 1.158 118 A CA 1.352 53.401 52.037 0.018 0.000 0.742 118 A CB -1.062 17.947 19.000 0.015 0.000 0.790 118 A HN 1.837 nan 8.150 nan 0.000 0.472 119 V N -5.046 114.886 119.914 0.029 0.000 3.103 119 V HA 0.659 4.779 4.120 -0.000 0.000 0.318 119 V C -3.199 172.914 176.094 0.032 0.000 1.114 119 V CA -3.035 59.284 62.300 0.031 0.000 1.020 119 V CB 1.159 33.006 31.823 0.040 0.000 1.085 119 V HN 0.004 nan 8.190 nan 0.000 0.446 120 P HA 0.256 nan 4.420 nan 0.000 0.264 120 P C -0.780 176.539 177.300 0.032 0.000 1.193 120 P CA 0.167 63.283 63.100 0.025 0.000 0.763 120 P CB 0.650 32.363 31.700 0.021 0.000 0.810 121 V N 5.536 125.467 119.914 0.029 0.000 2.347 121 V HA 0.187 4.307 4.120 -0.000 0.000 0.280 121 V C 0.070 176.180 176.094 0.026 0.000 1.021 121 V CA -0.579 61.739 62.300 0.031 0.000 0.847 121 V CB 1.016 32.856 31.823 0.030 0.000 0.990 121 V HN 0.321 nan 8.190 nan 0.000 0.444 122 L N 6.402 127.642 121.223 0.027 0.000 2.276 122 L HA 0.473 4.813 4.340 -0.000 0.000 0.286 122 L C 0.011 176.908 176.870 0.045 0.000 1.061 122 L CA 0.270 55.130 54.840 0.034 0.000 0.807 122 L CB 1.517 43.594 42.059 0.031 0.000 1.177 122 L HN 0.408 nan 8.230 nan 0.000 0.429 123 V N 3.104 123.050 119.914 0.053 0.000 2.435 123 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 123 V C -0.332 175.822 176.094 0.101 0.000 1.030 123 V CA -0.689 61.648 62.300 0.061 0.000 0.881 123 V CB 1.419 33.260 31.823 0.030 0.000 0.983 123 V HN 0.693 nan 8.190 nan 0.000 0.445 124 H N 5.238 124.311 119.070 0.005 0.000 2.865 124 H HA 0.488 5.043 4.556 -0.000 0.000 0.362 124 H C -2.897 172.437 175.328 0.010 0.000 1.114 124 H CA -1.798 54.253 56.048 0.006 0.000 1.208 124 H CB 3.439 33.202 29.762 0.002 0.000 1.727 124 H HN 0.426 nan 8.280 nan 0.000 0.534 125 P HA 0.136 nan 4.420 nan 0.000 0.274 125 P C -0.352 177.061 177.300 0.189 0.000 1.246 125 P CA 0.333 63.427 63.100 -0.011 0.000 0.795 125 P CB 0.428 32.072 31.700 -0.094 0.000 1.006 126 A N 1.472 124.385 122.820 0.154 0.000 2.560 126 A HA -0.154 4.166 4.320 -0.000 0.000 0.299 126 A C -1.310 176.398 177.584 0.207 0.000 1.484 126 A CA 0.494 52.638 52.037 0.177 0.000 0.749 126 A CB -2.710 16.384 19.000 0.156 0.000 1.072 126 A HN 0.424 nan 8.150 nan 0.000 0.426 127 P HA -0.198 nan 4.420 nan 0.000 0.214 127 P C 1.623 178.877 177.300 -0.076 0.000 1.163 127 P CA 1.532 64.610 63.100 -0.036 0.000 0.889 127 P CB -0.030 31.660 31.700 -0.016 0.000 0.790 128 R N -0.168 120.313 120.500 -0.031 0.000 2.154 128 R HA -0.130 4.210 4.340 -0.000 0.000 0.248 128 R C 2.081 178.372 176.300 -0.015 0.000 1.155 128 R CA 1.956 58.041 56.100 -0.023 0.000 0.979 128 R CB -1.257 29.041 30.300 -0.004 0.000 0.869 128 R HN 0.185 nan 8.270 nan 0.000 0.452 129 G N -1.378 107.420 108.800 -0.003 0.000 2.956 129 G HA2 0.011 3.971 3.960 -0.000 0.000 0.207 129 G HA3 0.011 3.971 3.960 -0.000 0.000 0.207 129 G C 0.773 175.659 174.900 -0.024 0.000 1.162 129 G CA 0.386 45.492 45.100 0.011 0.000 0.796 129 G HN 0.298 nan 8.290 nan 0.000 0.527 130 V N -0.810 119.050 119.914 -0.089 0.000 3.356 130 V HA 0.166 4.285 4.120 -0.000 0.000 0.274 130 V C 1.912 177.938 176.094 -0.113 0.000 1.631 130 V CA 0.018 62.237 62.300 -0.135 0.000 1.025 130 V CB 0.373 31.994 31.823 -0.337 0.000 0.840 130 V HN 0.231 nan 8.190 nan 0.000 0.419 131 L N 1.690 122.858 121.223 -0.092 0.000 2.013 131 L HA -0.003 4.337 4.340 -0.000 0.000 0.212 131 L C 2.281 179.134 176.870 -0.029 0.000 1.073 131 L CA 3.024 57.826 54.840 -0.062 0.000 0.753 131 L CB -1.123 40.908 42.059 -0.048 0.000 0.890 131 L HN 0.322 nan 8.230 nan 0.000 0.432 132 G N -1.230 107.563 108.800 -0.012 0.000 2.476 132 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 132 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 132 G C 1.533 176.436 174.900 0.005 0.000 1.164 132 G CA 0.744 45.847 45.100 0.005 0.000 0.768 132 G HN 0.619 nan 8.290 nan 0.000 0.560 133 G N 0.765 109.567 108.800 0.003 0.000 2.418 133 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 133 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 133 G C 1.840 176.733 174.900 -0.012 0.000 1.158 133 G CA 0.848 45.958 45.100 0.016 0.000 0.771 133 G HN 0.427 nan 8.290 nan 0.000 0.545 134 L N 0.778 121.980 121.223 -0.034 0.000 1.989 134 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 134 L C 3.449 180.280 176.870 -0.066 0.000 1.071 134 L CA 1.388 56.196 54.840 -0.053 0.000 0.749 134 L CB -0.470 41.552 42.059 -0.061 0.000 0.890 134 L HN 0.303 nan 8.230 nan 0.000 0.431 135 A N -0.302 122.505 122.820 -0.021 0.000 1.908 135 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 135 A C 2.477 180.096 177.584 0.058 0.000 1.181 135 A CA 1.854 53.924 52.037 0.055 0.000 0.627 135 A CB -0.797 18.278 19.000 0.125 0.000 0.818 135 A HN 0.445 nan 8.150 nan 0.000 0.445 136 A N -1.148 121.649 122.820 -0.038 0.000 1.969 136 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 136 A C 2.277 179.528 177.584 -0.555 0.000 1.169 136 A CA 2.173 54.107 52.037 -0.173 0.000 0.635 136 A CB -1.083 17.870 19.000 -0.079 0.000 0.810 136 A HN 0.440 nan 8.150 nan 0.000 0.445 137 T N -0.317 113.988 114.554 -0.415 0.000 2.701 137 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 137 T C 2.004 176.531 174.700 -0.288 0.000 1.040 137 T CA 1.890 63.759 62.100 -0.384 0.000 1.147 137 T CB -0.700 68.096 68.868 -0.120 0.000 0.865 137 T HN 0.638 nan 8.240 nan 0.000 0.426 138 V N -0.449 119.302 119.914 -0.271 0.000 2.626 138 V HA -0.053 4.067 4.120 -0.000 0.000 0.252 138 V C 1.508 177.348 176.094 -0.423 0.000 1.067 138 V CA 1.227 63.315 62.300 -0.353 0.000 1.081 138 V CB -0.996 30.567 31.823 -0.434 0.000 0.686 138 V HN 0.529 nan 8.190 nan 0.000 0.468 139 Y N 1.871 122.086 120.300 -0.141 0.000 2.470 139 Y HA 0.582 5.132 4.550 -0.000 0.000 0.284 139 Y C 1.869 177.700 175.900 -0.114 0.000 1.188 139 Y CA -0.126 57.909 58.100 -0.109 0.000 1.269 139 Y CB -0.232 38.172 38.460 -0.094 0.000 1.094 139 Y HN 0.438 nan 8.280 nan 0.000 0.518 140 G N 0.624 109.383 108.800 -0.068 0.000 2.198 140 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 140 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 140 G C -0.189 174.739 174.900 0.048 0.000 1.042 140 G CA 0.248 45.340 45.100 -0.015 0.000 0.791 140 G HN 0.690 nan 8.290 nan 0.000 0.502 141 H N -2.414 116.675 119.070 0.033 0.000 2.592 141 H HA -0.161 4.395 4.556 -0.000 0.000 0.323 141 H C -0.384 174.939 175.328 -0.008 0.000 1.117 141 H CA 1.027 57.079 56.048 0.007 0.000 1.120 141 H CB -1.254 28.504 29.762 -0.007 0.000 1.561 141 H HN 0.552 nan 8.280 nan 0.000 0.409 142 P HA -0.181 nan 4.420 nan 0.000 0.217 142 P C 1.635 178.927 177.300 -0.013 0.000 1.148 142 P CA 2.015 65.122 63.100 0.011 0.000 0.828 142 P CB 0.041 31.725 31.700 -0.025 0.000 0.783 143 S N -0.871 114.810 115.700 -0.031 0.000 2.603 143 S HA -0.045 4.425 4.470 -0.000 0.000 0.229 143 S C 1.553 176.120 174.600 -0.055 0.000 0.972 143 S CA 0.366 58.518 58.200 -0.081 0.000 0.935 143 S CB -0.902 62.200 63.200 -0.163 0.000 0.769 143 S HN 0.201 nan 8.310 nan 0.000 0.536 144 E N 0.553 120.748 120.200 -0.009 0.000 2.489 144 E HA 0.157 4.507 4.350 -0.000 0.000 0.193 144 E C 1.075 177.669 176.600 -0.010 0.000 1.057 144 E CA -0.006 56.387 56.400 -0.012 0.000 0.866 144 E CB 0.180 29.878 29.700 -0.003 0.000 0.916 144 E HN 0.527 nan 8.360 nan 0.000 0.500 145 R N 0.076 120.570 120.500 -0.010 0.000 2.572 145 R HA 0.334 4.674 4.340 -0.000 0.000 0.370 145 R C 0.080 176.368 176.300 -0.019 0.000 1.005 145 R CA 0.061 56.155 56.100 -0.009 0.000 1.146 145 R CB 1.020 31.320 30.300 -0.000 0.000 1.390 145 R HN -0.004 nan 8.270 nan 0.000 0.553 146 L N -0.514 120.691 121.223 -0.030 0.000 2.341 146 L HA 0.447 4.787 4.340 -0.000 0.000 0.254 146 L C -0.454 176.394 176.870 -0.036 0.000 1.040 146 L CA -0.802 54.017 54.840 -0.036 0.000 0.837 146 L CB 2.723 44.751 42.059 -0.051 0.000 1.425 146 L HN -0.215 nan 8.230 nan 0.000 0.414 147 T N 1.312 115.848 114.554 -0.029 0.000 2.770 147 T HA 0.468 4.817 4.350 -0.000 0.000 0.297 147 T C -0.528 174.160 174.700 -0.020 0.000 0.997 147 T CA -0.305 61.785 62.100 -0.018 0.000 0.949 147 T CB 1.010 69.876 68.868 -0.005 0.000 0.941 147 T HN 0.139 nan 8.240 nan 0.000 0.457 148 V N 5.729 125.626 119.914 -0.028 0.000 2.398 148 V HA 0.491 4.611 4.120 -0.000 0.000 0.286 148 V C -0.032 176.132 176.094 0.117 0.000 1.026 148 V CA -0.794 61.491 62.300 -0.024 0.000 0.868 148 V CB 1.279 32.972 31.823 -0.216 0.000 0.982 148 V HN 0.788 nan 8.190 nan 0.000 0.443 149 I N 3.970 124.625 120.570 0.141 0.000 2.378 149 I HA 0.634 4.804 4.170 -0.000 0.000 0.291 149 I C 0.745 176.999 176.117 0.229 0.000 0.992 149 I CA -0.117 61.284 61.300 0.168 0.000 1.154 149 I CB 1.772 39.816 38.000 0.072 0.000 1.315 149 I HN 0.710 nan 8.210 nan 0.000 0.448 150 G N 7.008 115.923 108.800 0.193 0.000 2.379 150 G HA2 0.777 4.737 3.960 -0.000 0.000 0.327 150 G HA3 0.777 4.737 3.960 -0.000 0.000 0.327 150 G C -0.821 174.028 174.900 -0.084 0.000 1.145 150 G CA -0.430 44.657 45.100 -0.022 0.000 0.905 150 G HN 0.484 nan 8.290 nan 0.000 0.466 151 I N 1.310 121.859 120.570 -0.035 0.000 2.418 151 I HA 0.397 4.567 4.170 -0.000 0.000 0.287 151 I C 0.130 176.244 176.117 -0.005 0.000 1.008 151 I CA -0.505 60.795 61.300 0.000 0.000 1.104 151 I CB 2.471 40.482 38.000 0.018 0.000 1.264 151 I HN 0.450 nan 8.210 nan 0.000 0.438 152 T N 3.637 118.208 114.554 0.028 0.000 2.926 152 T HA 0.933 5.282 4.350 -0.000 0.000 0.289 152 T C -0.453 174.165 174.700 -0.137 0.000 1.054 152 T CA -0.138 61.967 62.100 0.009 0.000 1.015 152 T CB 1.914 70.824 68.868 0.070 0.000 1.167 152 T HN 1.036 nan 8.240 nan 0.000 0.526 153 G N 0.664 109.356 108.800 -0.180 0.000 2.334 153 G HA2 0.102 4.062 3.960 -0.000 0.000 0.566 153 G HA3 0.102 4.062 3.960 -0.000 0.000 0.566 153 G C 0.500 175.321 174.900 -0.131 0.000 1.413 153 G CA 0.172 45.029 45.100 -0.406 0.000 0.993 153 G HN 0.702 nan 8.290 nan 0.000 0.642 154 T N 0.411 114.901 114.554 -0.107 0.000 2.708 154 T HA 0.132 4.482 4.350 -0.000 0.000 0.266 154 T C 1.340 176.076 174.700 0.060 0.000 1.037 154 T CA 2.052 64.209 62.100 0.096 0.000 1.146 154 T CB -0.215 68.732 68.868 0.131 0.000 0.865 154 T HN 0.718 nan 8.240 nan 0.000 0.435 155 S N -1.565 114.117 115.700 -0.029 0.000 2.600 155 S HA 0.556 5.025 4.470 -0.000 0.000 0.300 155 S C 0.985 175.586 174.600 0.001 0.000 1.087 155 S CA -0.214 57.979 58.200 -0.012 0.000 0.965 155 S CB 1.855 64.993 63.200 -0.104 0.000 1.089 155 S HN 0.597 nan 8.310 nan 0.000 0.496 156 G N 1.177 110.020 108.800 0.071 0.000 2.176 156 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.253 156 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.253 156 G C 0.784 175.723 174.900 0.066 0.000 0.979 156 G CA 0.630 45.792 45.100 0.104 0.000 0.641 156 G HN 0.601 nan 8.290 nan 0.000 0.530 157 K N -0.172 120.258 120.400 0.051 0.000 1.991 157 K HA -0.097 4.223 4.320 -0.000 0.000 0.212 157 K C 2.647 179.292 176.600 0.075 0.000 1.049 157 K CA 1.986 58.302 56.287 0.048 0.000 0.932 157 K CB -0.502 32.028 32.500 0.050 0.000 0.717 157 K HN 0.382 nan 8.250 nan 0.000 0.441 158 T N 0.970 115.577 114.554 0.088 0.000 2.607 158 T HA -0.165 4.184 4.350 -0.000 0.000 0.267 158 T C 2.017 176.820 174.700 0.171 0.000 1.049 158 T CA 2.167 64.337 62.100 0.117 0.000 1.162 158 T CB -0.594 68.289 68.868 0.025 0.000 0.863 158 T HN 0.329 nan 8.240 nan 0.000 0.424 159 T N 1.839 116.450 114.554 0.096 0.000 2.720 159 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 159 T C 2.267 177.035 174.700 0.113 0.000 1.037 159 T CA 1.742 63.892 62.100 0.083 0.000 1.144 159 T CB -0.794 68.109 68.868 0.060 0.000 0.864 159 T HN 0.423 nan 8.240 nan 0.000 0.444 160 T N 2.175 116.780 114.554 0.085 0.000 2.777 160 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 160 T C 2.539 177.273 174.700 0.058 0.000 1.040 160 T CA 1.744 63.878 62.100 0.055 0.000 1.141 160 T CB -0.741 68.145 68.868 0.029 0.000 0.868 160 T HN 0.722 nan 8.240 nan 0.000 0.444 161 T N -0.110 114.489 114.554 0.074 0.000 2.788 161 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 161 T C 1.742 176.432 174.700 -0.017 0.000 1.044 161 T CA 0.959 63.073 62.100 0.023 0.000 1.139 161 T CB -0.853 68.019 68.868 0.007 0.000 0.867 161 T HN 0.420 nan 8.240 nan 0.000 0.454 162 Y N 1.425 121.711 120.300 -0.024 0.000 2.181 162 Y HA 0.129 4.679 4.550 -0.000 0.000 0.288 162 Y C 2.421 178.308 175.900 -0.021 0.000 1.146 162 Y CA 1.002 59.087 58.100 -0.026 0.000 1.164 162 Y CB -0.302 38.140 38.460 -0.030 0.000 0.982 162 Y HN 0.158 nan 8.280 nan 0.000 0.515 163 L N -1.560 119.733 121.223 0.117 0.000 2.109 163 L HA -0.186 4.154 4.340 -0.000 0.000 0.207 163 L C 2.219 179.094 176.870 0.009 0.000 1.086 163 L CA 0.567 55.441 54.840 0.057 0.000 0.760 163 L CB -0.696 41.388 42.059 0.042 0.000 0.910 163 L HN 0.044 nan 8.230 nan 0.000 0.437 164 V N -0.207 119.702 119.914 -0.009 0.000 2.261 164 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 164 V C 2.580 178.648 176.094 -0.043 0.000 1.047 164 V CA 1.977 64.258 62.300 -0.031 0.000 1.015 164 V CB -0.520 31.284 31.823 -0.031 0.000 0.642 164 V HN 0.503 nan 8.190 nan 0.000 0.446 165 E N 0.294 120.452 120.200 -0.070 0.000 2.153 165 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 165 E C 2.205 178.766 176.600 -0.064 0.000 0.988 165 E CA 1.449 57.791 56.400 -0.097 0.000 0.811 165 E CB -0.076 29.508 29.700 -0.195 0.000 0.746 165 E HN 0.548 nan 8.360 nan 0.000 0.466 166 A N 0.707 123.506 122.820 -0.035 0.000 1.898 166 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 166 A C 2.443 180.020 177.584 -0.011 0.000 1.181 166 A CA 1.773 53.806 52.037 -0.007 0.000 0.620 166 A CB -1.040 17.976 19.000 0.025 0.000 0.819 166 A HN 0.405 nan 8.150 nan 0.000 0.442 167 G N -0.311 108.480 108.800 -0.016 0.000 2.404 167 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 167 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 167 G C 1.377 176.265 174.900 -0.019 0.000 1.174 167 G CA 1.045 46.134 45.100 -0.018 0.000 0.780 167 G HN 0.307 nan 8.290 nan 0.000 0.537 168 L N 0.565 121.772 121.223 -0.025 0.000 2.013 168 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 168 L C 2.938 179.795 176.870 -0.021 0.000 1.073 168 L CA 1.564 56.389 54.840 -0.024 0.000 0.753 168 L CB -1.000 41.040 42.059 -0.032 0.000 0.890 168 L HN 0.118 nan 8.230 nan 0.000 0.432 169 R N -0.911 119.574 120.500 -0.024 0.000 2.073 169 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 169 R C 2.280 178.573 176.300 -0.012 0.000 1.134 169 R CA 1.517 57.605 56.100 -0.019 0.000 0.952 169 R CB -0.740 29.547 30.300 -0.020 0.000 0.850 169 R HN 0.419 nan 8.270 nan 0.000 0.433 170 A N 0.308 123.122 122.820 -0.009 0.000 1.908 170 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 170 A C 2.194 179.775 177.584 -0.004 0.000 1.181 170 A CA 1.780 53.814 52.037 -0.005 0.000 0.627 170 A CB -0.828 18.170 19.000 -0.003 0.000 0.818 170 A HN 0.403 nan 8.150 nan 0.000 0.445 171 A N -1.835 120.981 122.820 -0.005 0.000 2.209 171 A HA 0.373 4.693 4.320 -0.000 0.000 0.212 171 A C 1.838 179.420 177.584 -0.004 0.000 1.158 171 A CA 1.325 53.360 52.037 -0.003 0.000 0.742 171 A CB -1.008 17.991 19.000 -0.003 0.000 0.790 171 A HN 1.979 nan 8.150 nan 0.000 0.472 172 G N -0.906 107.890 108.800 -0.006 0.000 2.137 172 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.237 172 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.237 172 G C 0.193 175.088 174.900 -0.009 0.000 1.002 172 G CA 0.120 45.216 45.100 -0.007 0.000 0.702 172 G HN 0.517 nan 8.290 nan 0.000 0.515 173 R N -0.570 119.923 120.500 -0.011 0.000 2.615 173 R HA 0.451 4.791 4.340 -0.000 0.000 0.270 173 R C 0.298 176.587 176.300 -0.018 0.000 1.081 173 R CA -0.467 55.625 56.100 -0.014 0.000 1.154 173 R CB 1.084 31.375 30.300 -0.014 0.000 1.063 173 R HN 0.144 nan 8.270 nan 0.000 0.519 174 V N 2.152 122.054 119.914 -0.019 0.000 2.368 174 V HA 0.345 4.465 4.120 -0.000 0.000 0.266 174 V C 0.357 176.433 176.094 -0.030 0.000 1.045 174 V CA -0.410 61.876 62.300 -0.024 0.000 0.899 174 V CB 0.781 32.591 31.823 -0.021 0.000 1.006 174 V HN 0.830 nan 8.190 nan 0.000 0.470 175 A N 4.087 126.884 122.820 -0.037 0.000 2.354 175 A HA 0.978 5.298 4.320 -0.000 0.000 0.321 175 A C 0.186 177.736 177.584 -0.057 0.000 1.125 175 A CA -0.246 51.763 52.037 -0.047 0.000 0.799 175 A CB 1.818 20.786 19.000 -0.053 0.000 1.293 175 A HN 0.950 nan 8.150 nan 0.000 0.452 176 G N -0.432 108.331 108.800 -0.062 0.000 2.524 176 G HA2 0.592 4.552 3.960 -0.000 0.000 0.310 176 G HA3 0.592 4.552 3.960 -0.000 0.000 0.310 176 G C -1.515 173.331 174.900 -0.089 0.000 1.279 176 G CA -0.452 44.605 45.100 -0.073 0.000 0.974 176 G HN 1.027 nan 8.290 nan 0.000 0.484 177 L N 1.482 122.638 121.223 -0.112 0.000 2.386 177 L HA 0.821 5.161 4.340 -0.000 0.000 0.271 177 L C -1.150 175.658 176.870 -0.103 0.000 0.993 177 L CA -0.980 53.776 54.840 -0.139 0.000 0.819 177 L CB 1.758 43.661 42.059 -0.259 0.000 1.294 177 L HN 0.441 nan 8.230 nan 0.000 0.414 178 I N 4.881 125.408 120.570 -0.072 0.000 2.478 178 I HA 0.797 4.967 4.170 -0.000 0.000 0.287 178 I C 0.113 176.218 176.117 -0.021 0.000 1.042 178 I CA -0.307 60.968 61.300 -0.042 0.000 1.067 178 I CB 1.736 39.721 38.000 -0.025 0.000 1.233 178 I HN 0.782 nan 8.210 nan 0.000 0.431 179 G N 2.668 111.460 108.800 -0.013 0.000 2.494 179 G HA2 0.209 4.169 3.960 -0.000 0.000 0.308 179 G HA3 0.209 4.169 3.960 -0.000 0.000 0.308 179 G C 0.201 175.102 174.900 0.001 0.000 1.263 179 G CA -0.039 45.066 45.100 0.008 0.000 0.840 179 G HN 0.364 nan 8.290 nan 0.000 0.479 180 T N 0.616 115.167 114.554 -0.006 0.000 2.915 180 T HA -0.004 4.346 4.350 -0.000 0.000 0.269 180 T C 2.237 176.889 174.700 -0.080 0.000 1.071 180 T CA 1.496 63.580 62.100 -0.027 0.000 1.132 180 T CB -0.092 68.749 68.868 -0.044 0.000 0.878 180 T HN 0.302 nan 8.240 nan 0.000 0.479 181 I N 0.361 120.842 120.570 -0.148 0.000 2.716 181 I HA 0.300 4.469 4.170 -0.000 0.000 0.259 181 I C 1.582 177.682 176.117 -0.028 0.000 1.172 181 I CA 0.425 61.608 61.300 -0.195 0.000 1.478 181 I CB -0.027 37.820 38.000 -0.255 0.000 1.104 181 I HN 0.460 nan 8.210 nan 0.000 0.439 182 G N 0.468 109.264 108.800 -0.008 0.000 2.373 182 G HA2 0.233 4.193 3.960 -0.000 0.000 0.250 182 G HA3 0.233 4.193 3.960 -0.000 0.000 0.250 182 G C -1.692 173.196 174.900 -0.020 0.000 1.304 182 G CA -0.819 44.279 45.100 -0.004 0.000 0.948 182 G HN -0.098 nan 8.290 nan 0.000 0.474 183 I N 0.539 121.093 120.570 -0.026 0.000 2.474 183 I HA 0.703 4.873 4.170 -0.000 0.000 0.294 183 I C 0.111 176.198 176.117 -0.050 0.000 1.005 183 I CA -0.494 60.780 61.300 -0.044 0.000 1.113 183 I CB 2.183 40.158 38.000 -0.041 0.000 1.289 183 I HN 0.446 nan 8.210 nan 0.000 0.436 184 R N 4.660 125.116 120.500 -0.073 0.000 2.513 184 R HA 0.829 5.169 4.340 -0.000 0.000 0.301 184 R C -1.691 174.567 176.300 -0.070 0.000 0.968 184 R CA -0.701 55.355 56.100 -0.074 0.000 0.872 184 R CB 2.200 32.436 30.300 -0.107 0.000 1.177 184 R HN 0.369 nan 8.270 nan 0.000 0.444 185 V N 2.069 121.951 119.914 -0.053 0.000 2.612 185 V HA 0.611 4.731 4.120 -0.000 0.000 0.301 185 V C 0.921 176.991 176.094 -0.039 0.000 1.059 185 V CA -0.459 61.812 62.300 -0.048 0.000 0.886 185 V CB 1.224 33.021 31.823 -0.043 0.000 1.007 185 V HN 1.006 nan 8.190 nan 0.000 0.426 186 G N 4.353 113.131 108.800 -0.037 0.000 2.672 186 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.324 186 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.324 186 G C 1.142 176.027 174.900 -0.025 0.000 1.286 186 G CA 0.956 46.039 45.100 -0.029 0.000 1.004 186 G HN 1.719 nan 8.290 nan 0.000 0.548 187 G N 0.524 109.313 108.800 -0.019 0.000 2.534 187 G HA2 0.480 4.440 3.960 -0.000 0.000 0.217 187 G HA3 0.480 4.440 3.960 -0.000 0.000 0.217 187 G C 0.843 175.735 174.900 -0.014 0.000 1.128 187 G CA 1.656 46.747 45.100 -0.015 0.000 0.784 187 G HN 1.776 nan 8.290 nan 0.000 0.542 188 A N 0.063 122.872 122.820 -0.018 0.000 2.304 188 A HA 0.564 4.884 4.320 -0.000 0.000 0.301 188 A C -0.818 176.755 177.584 -0.020 0.000 1.132 188 A CA -0.482 51.545 52.037 -0.017 0.000 0.819 188 A CB 0.862 19.851 19.000 -0.019 0.000 1.094 188 A HN 0.144 nan 8.150 nan 0.000 0.492 189 D N 1.772 122.164 120.400 -0.013 0.000 2.855 189 D HA 0.550 5.190 4.640 -0.000 0.000 0.241 189 D C -1.442 174.854 176.300 -0.007 0.000 1.277 189 D CA -0.146 53.848 54.000 -0.011 0.000 0.918 189 D CB 1.111 41.910 40.800 -0.001 0.000 1.462 189 D HN 0.510 nan 8.370 nan 0.000 0.559 190 L N 1.662 122.878 121.223 -0.010 0.000 2.409 190 L HA 0.731 5.071 4.340 -0.000 0.000 0.262 190 L C -2.701 174.166 176.870 -0.005 0.000 0.992 190 L CA -1.911 52.925 54.840 -0.008 0.000 0.817 190 L CB 2.276 44.327 42.059 -0.014 0.000 1.350 190 L HN 0.079 nan 8.230 nan 0.000 0.411 191 P HA 0.370 nan 4.420 nan 0.000 0.279 191 P C -1.023 176.277 177.300 -0.001 0.000 1.276 191 P CA -0.410 62.694 63.100 0.007 0.000 0.801 191 P CB 1.617 33.325 31.700 0.013 0.000 1.127 192 S N -2.111 113.592 115.700 0.004 0.000 2.564 192 S HA 0.628 5.098 4.470 -0.000 0.000 0.274 192 S C 0.730 175.331 174.600 0.003 0.000 1.124 192 S CA -0.286 57.913 58.200 -0.002 0.000 0.869 192 S CB 1.474 64.670 63.200 -0.007 0.000 1.105 192 S HN 0.467 nan 8.310 nan 0.000 0.472 193 A N 1.386 124.203 122.820 -0.005 0.000 1.968 193 A HA 0.400 4.720 4.320 -0.000 0.000 0.217 193 A C 0.603 178.182 177.584 -0.010 0.000 1.169 193 A CA 0.696 52.728 52.037 -0.007 0.000 0.638 193 A CB -0.568 18.422 19.000 -0.015 0.000 0.812 193 A HN 0.772 nan 8.150 nan 0.000 0.446 194 L N -3.027 118.188 121.223 -0.014 0.000 2.371 194 L HA 0.343 4.682 4.340 -0.000 0.000 0.262 194 L C 1.191 178.056 176.870 -0.007 0.000 1.006 194 L CA -0.736 54.091 54.840 -0.022 0.000 0.818 194 L CB 1.723 43.755 42.059 -0.045 0.000 1.354 194 L HN 0.018 nan 8.230 nan 0.000 0.415 195 T N -0.433 114.120 114.554 -0.002 0.000 2.684 195 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 195 T C 0.570 175.277 174.700 0.012 0.000 1.036 195 T CA 1.560 63.670 62.100 0.017 0.000 1.148 195 T CB -0.110 68.781 68.868 0.038 0.000 0.863 195 T HN 0.634 nan 8.240 nan 0.000 0.436 196 T N 2.919 117.475 114.554 0.003 0.000 2.812 196 T HA 0.470 4.820 4.350 -0.000 0.000 0.282 196 T C -2.689 172.010 174.700 -0.002 0.000 0.990 196 T CA -1.389 60.718 62.100 0.013 0.000 0.960 196 T CB 2.082 70.969 68.868 0.032 0.000 0.948 196 T HN -0.039 nan 8.240 nan 0.000 0.438 197 P HA 0.183 nan 4.420 nan 0.000 0.272 197 P C 0.140 177.435 177.300 -0.008 0.000 1.240 197 P CA -0.593 62.499 63.100 -0.014 0.000 0.791 197 P CB 0.542 32.228 31.700 -0.024 0.000 0.978 198 E N 0.387 120.580 120.200 -0.010 0.000 2.418 198 E HA 0.012 4.362 4.350 -0.000 0.000 0.261 198 E C 1.423 178.022 176.600 -0.002 0.000 1.070 198 E CA 0.104 56.503 56.400 -0.002 0.000 0.931 198 E CB 0.344 30.044 29.700 -0.001 0.000 0.954 198 E HN 0.424 nan 8.360 nan 0.000 0.439 199 A N 4.661 127.485 122.820 0.007 0.000 1.884 199 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 199 A C -0.470 177.118 177.584 0.006 0.000 1.197 199 A CA 1.897 53.938 52.037 0.007 0.000 0.637 199 A CB -1.617 17.391 19.000 0.014 0.000 0.827 199 A HN 0.458 nan 8.150 nan 0.000 0.450 200 P HA -0.082 nan 4.420 nan 0.000 0.216 200 P C 1.547 178.836 177.300 -0.019 0.000 1.153 200 P CA 1.831 64.973 63.100 0.069 0.000 0.848 200 P CB -0.274 31.482 31.700 0.093 0.000 0.787 201 T N 0.241 114.773 114.554 -0.036 0.000 2.643 201 T HA -0.147 4.203 4.350 -0.000 0.000 0.264 201 T C 1.692 176.313 174.700 -0.131 0.000 1.045 201 T CA 1.087 63.138 62.100 -0.082 0.000 1.155 201 T CB -1.087 67.753 68.868 -0.047 0.000 0.863 201 T HN -0.032 nan 8.240 nan 0.000 0.420 202 L N 1.496 122.664 121.223 -0.091 0.000 1.997 202 L HA -0.187 4.153 4.340 -0.000 0.000 0.216 202 L C 2.433 179.206 176.870 -0.162 0.000 1.074 202 L CA 1.888 56.669 54.840 -0.099 0.000 0.763 202 L CB -0.884 41.142 42.059 -0.055 0.000 0.890 202 L HN 0.154 nan 8.230 nan 0.000 0.434 203 Q N -0.482 119.214 119.800 -0.173 0.000 2.124 203 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 203 Q C 2.314 178.014 176.000 -0.499 0.000 0.977 203 Q CA 1.770 57.444 55.803 -0.214 0.000 0.850 203 Q CB -0.775 27.939 28.738 -0.040 0.000 0.901 203 Q HN 0.699 nan 8.270 nan 0.000 0.429 204 A N 0.462 122.809 122.820 -0.789 0.000 1.898 204 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 204 A C 2.211 179.530 177.584 -0.442 0.000 1.181 204 A CA 1.422 52.852 52.037 -1.011 0.000 0.620 204 A CB -0.478 18.042 19.000 -0.799 0.000 0.819 204 A HN 0.298 nan 8.150 nan 0.000 0.442 205 M N -0.574 118.856 119.600 -0.283 0.000 2.086 205 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 205 M C 2.135 178.345 176.300 -0.149 0.000 1.067 205 M CA 1.513 56.710 55.300 -0.172 0.000 1.116 205 M CB -0.509 32.014 32.600 -0.129 0.000 1.348 205 M HN 0.397 nan 8.290 nan 0.000 0.407 206 L N -0.461 120.668 121.223 -0.158 0.000 2.046 206 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 206 L C 2.815 179.622 176.870 -0.104 0.000 1.077 206 L CA 1.225 55.993 54.840 -0.121 0.000 0.747 206 L CB -1.040 40.946 42.059 -0.122 0.000 0.896 206 L HN 0.316 nan 8.230 nan 0.000 0.432 207 A N 0.221 122.960 122.820 -0.135 0.000 1.908 207 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 207 A C 2.562 180.111 177.584 -0.058 0.000 1.181 207 A CA 1.931 53.923 52.037 -0.074 0.000 0.627 207 A CB -0.751 18.215 19.000 -0.057 0.000 0.818 207 A HN 0.416 nan 8.150 nan 0.000 0.445 208 A N -0.735 122.032 122.820 -0.089 0.000 1.877 208 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 208 A C 2.268 179.823 177.584 -0.048 0.000 1.186 208 A CA 1.930 53.931 52.037 -0.060 0.000 0.620 208 A CB -0.565 18.391 19.000 -0.073 0.000 0.822 208 A HN 0.528 nan 8.150 nan 0.000 0.443 209 M N -0.758 118.807 119.600 -0.059 0.000 2.108 209 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 209 M C 2.099 178.377 176.300 -0.037 0.000 1.066 209 M CA 1.498 56.768 55.300 -0.049 0.000 1.107 209 M CB -0.432 32.133 32.600 -0.058 0.000 1.356 209 M HN 0.279 nan 8.290 nan 0.000 0.406 210 V N 0.401 120.294 119.914 -0.035 0.000 2.295 210 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 210 V C 2.064 178.150 176.094 -0.015 0.000 1.049 210 V CA 2.010 64.297 62.300 -0.022 0.000 1.024 210 V CB -0.761 31.053 31.823 -0.014 0.000 0.648 210 V HN 0.498 nan 8.190 nan 0.000 0.447 211 E N 0.104 120.297 120.200 -0.013 0.000 2.085 211 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 211 E C 2.117 178.710 176.600 -0.012 0.000 0.994 211 E CA 0.931 57.326 56.400 -0.008 0.000 0.801 211 E CB -0.215 29.482 29.700 -0.005 0.000 0.743 211 E HN 0.513 nan 8.360 nan 0.000 0.453 212 R N 0.013 120.502 120.500 -0.018 0.000 2.328 212 R HA 0.028 4.367 4.340 -0.000 0.000 0.200 212 R C 1.100 177.390 176.300 -0.018 0.000 0.983 212 R CA 0.713 56.802 56.100 -0.018 0.000 1.062 212 R CB -0.031 30.255 30.300 -0.024 0.000 0.956 212 R HN 0.299 nan 8.270 nan 0.000 0.479 213 G N 1.276 110.066 108.800 -0.016 0.000 2.179 213 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 213 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 213 G C 0.303 175.192 174.900 -0.019 0.000 1.010 213 G CA 0.299 45.390 45.100 -0.015 0.000 0.736 213 G HN 0.181 nan 8.290 nan 0.000 0.513 214 V N 1.302 121.201 119.914 -0.024 0.000 2.740 214 V HA 0.311 4.431 4.120 -0.000 0.000 0.303 214 V C 1.469 177.548 176.094 -0.025 0.000 1.054 214 V CA 0.844 63.127 62.300 -0.028 0.000 1.106 214 V CB 1.511 33.312 31.823 -0.036 0.000 0.957 214 V HN 0.592 nan 8.190 nan 0.000 0.486 215 D N 0.977 121.362 120.400 -0.024 0.000 2.479 215 D HA 0.047 4.686 4.640 -0.000 0.000 0.221 215 D C 0.276 176.563 176.300 -0.022 0.000 1.104 215 D CA 0.151 54.138 54.000 -0.021 0.000 0.849 215 D CB 1.120 41.911 40.800 -0.015 0.000 1.072 215 D HN 0.552 nan 8.370 nan 0.000 0.502 216 T N 0.565 115.104 114.554 -0.026 0.000 2.952 216 T HA 0.484 4.833 4.350 -0.000 0.000 0.305 216 T C -0.870 173.810 174.700 -0.033 0.000 1.064 216 T CA -0.563 61.522 62.100 -0.025 0.000 1.008 216 T CB 2.793 71.649 68.868 -0.019 0.000 1.078 216 T HN -0.115 nan 8.240 nan 0.000 0.459 217 V N 2.632 122.528 119.914 -0.031 0.000 2.531 217 V HA 0.640 4.760 4.120 -0.000 0.000 0.301 217 V C -0.318 175.766 176.094 -0.015 0.000 1.034 217 V CA -0.844 61.434 62.300 -0.036 0.000 0.865 217 V CB 1.855 33.651 31.823 -0.046 0.000 0.995 217 V HN 0.726 nan 8.190 nan 0.000 0.424 218 V N 6.740 126.638 119.914 -0.026 0.000 2.547 218 V HA 0.712 4.832 4.120 -0.000 0.000 0.299 218 V C -0.415 175.679 176.094 -0.001 0.000 1.040 218 V CA -0.306 61.990 62.300 -0.007 0.000 0.913 218 V CB 1.719 33.524 31.823 -0.031 0.000 0.992 218 V HN 0.925 nan 8.190 nan 0.000 0.449 219 M N 4.824 124.450 119.600 0.045 0.000 2.324 219 M HA 0.484 4.964 4.480 -0.000 0.000 0.288 219 M C -0.812 175.521 176.300 0.055 0.000 1.097 219 M CA -0.486 54.851 55.300 0.062 0.000 0.928 219 M CB 2.545 35.234 32.600 0.149 0.000 1.648 219 M HN 0.656 nan 8.290 nan 0.000 0.460 220 E N 2.262 122.486 120.200 0.041 0.000 2.324 220 E HA 0.258 4.608 4.350 -0.000 0.000 0.271 220 E C -0.999 175.628 176.600 0.044 0.000 1.028 220 E CA -0.204 56.220 56.400 0.040 0.000 0.890 220 E CB 1.125 30.852 29.700 0.044 0.000 1.004 220 E HN 0.291 nan 8.360 nan 0.000 0.431 221 V N 3.586 123.512 119.914 0.019 0.000 2.304 221 V HA 0.099 4.219 4.120 -0.000 0.000 0.278 221 V C 0.242 176.347 176.094 0.018 0.000 1.018 221 V CA -0.713 61.590 62.300 0.006 0.000 0.814 221 V CB 0.931 32.689 31.823 -0.108 0.000 1.021 221 V HN 0.715 nan 8.190 nan 0.000 0.440 222 S N 2.961 118.686 115.700 0.042 0.000 2.592 222 S HA 0.188 4.658 4.470 -0.000 0.000 0.271 222 S C 1.481 176.134 174.600 0.088 0.000 1.326 222 S CA 0.115 58.351 58.200 0.060 0.000 1.024 222 S CB 1.462 64.685 63.200 0.038 0.000 0.921 222 S HN 0.981 nan 8.310 nan 0.000 0.527 223 S N 0.573 116.359 115.700 0.144 0.000 2.442 223 S HA -0.181 4.289 4.470 -0.000 0.000 0.236 223 S C 1.399 176.128 174.600 0.215 0.000 1.007 223 S CA 1.217 59.562 58.200 0.241 0.000 0.965 223 S CB -0.989 62.504 63.200 0.489 0.000 0.773 223 S HN 0.871 nan 8.310 nan 0.000 0.504 224 H N 1.976 121.015 119.070 -0.053 0.000 2.353 224 H HA 0.180 4.736 4.556 -0.000 0.000 0.300 224 H C 2.541 177.821 175.328 -0.081 0.000 1.090 224 H CA 1.718 57.602 56.048 -0.272 0.000 1.327 224 H CB -0.554 28.912 29.762 -0.493 0.000 1.383 224 H HN 0.570 nan 8.280 nan 0.000 0.508 225 A N 0.399 123.275 122.820 0.093 0.000 1.902 225 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 225 A C 2.293 179.930 177.584 0.088 0.000 1.181 225 A CA 1.443 53.523 52.037 0.072 0.000 0.623 225 A CB -0.714 18.323 19.000 0.062 0.000 0.818 225 A HN 0.322 nan 8.150 nan 0.000 0.443 226 L N -0.858 120.423 121.223 0.096 0.000 2.044 226 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 226 L C 3.079 180.026 176.870 0.128 0.000 1.075 226 L CA 1.052 55.947 54.840 0.092 0.000 0.747 226 L CB -0.630 41.467 42.059 0.062 0.000 0.903 226 L HN 0.376 nan 8.230 nan 0.000 0.435 227 A N 0.040 122.979 122.820 0.198 0.000 1.940 227 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 227 A C 2.057 179.754 177.584 0.188 0.000 1.176 227 A CA 1.615 53.795 52.037 0.238 0.000 0.631 227 A CB -0.653 18.601 19.000 0.423 0.000 0.814 227 A HN 0.429 nan 8.150 nan 0.000 0.446 228 L N -1.506 119.815 121.223 0.163 0.000 2.667 228 L HA 0.314 4.653 4.340 -0.000 0.000 0.232 228 L C 1.435 178.353 176.870 0.081 0.000 1.138 228 L CA 0.385 55.302 54.840 0.128 0.000 0.921 228 L CB 0.090 42.219 42.059 0.118 0.000 1.180 228 L HN 0.530 nan 8.230 nan 0.000 0.487 229 G N 0.601 109.449 108.800 0.079 0.000 2.143 229 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.248 229 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.248 229 G C 1.104 176.036 174.900 0.053 0.000 0.991 229 G CA 0.436 45.572 45.100 0.061 0.000 0.689 229 G HN 0.392 nan 8.290 nan 0.000 0.522 230 R N -0.479 120.056 120.500 0.058 0.000 2.152 230 R HA 0.046 4.386 4.340 -0.000 0.000 0.232 230 R C 2.395 178.732 176.300 0.062 0.000 1.117 230 R CA 1.712 57.841 56.100 0.048 0.000 0.981 230 R CB -0.115 30.210 30.300 0.042 0.000 0.870 230 R HN 0.947 nan 8.270 nan 0.000 0.451 231 V N -2.386 117.587 119.914 0.098 0.000 3.177 231 V HA 0.146 4.266 4.120 -0.000 0.000 0.342 231 V C 0.552 176.715 176.094 0.115 0.000 1.379 231 V CA 0.086 62.471 62.300 0.143 0.000 1.191 231 V CB 0.481 32.498 31.823 0.324 0.000 1.167 231 V HN -0.100 nan 8.190 nan 0.000 0.471 232 D N 3.309 123.752 120.400 0.072 0.000 2.123 232 D HA -0.069 4.571 4.640 -0.000 0.000 0.196 232 D C 2.025 178.352 176.300 0.044 0.000 0.992 232 D CA 2.199 56.234 54.000 0.059 0.000 0.833 232 D CB -0.216 40.608 40.800 0.041 0.000 0.954 232 D HN 0.623 nan 8.370 nan 0.000 0.455 233 G N -0.606 108.209 108.800 0.025 0.000 3.314 233 G HA2 0.080 4.040 3.960 -0.000 0.000 0.238 233 G HA3 0.080 4.040 3.960 -0.000 0.000 0.238 233 G C 0.035 174.930 174.900 -0.009 0.000 1.184 233 G CA -0.090 45.028 45.100 0.029 0.000 0.806 233 G HN 0.067 nan 8.290 nan 0.000 0.536 234 T N 1.008 115.516 114.554 -0.077 0.000 2.767 234 T HA 0.443 4.793 4.350 -0.000 0.000 0.284 234 T C -0.108 174.419 174.700 -0.288 0.000 0.973 234 T CA -0.544 61.400 62.100 -0.260 0.000 0.996 234 T CB 1.641 70.201 68.868 -0.513 0.000 0.927 234 T HN 0.049 nan 8.240 nan 0.000 0.456 235 R N 2.166 122.517 120.500 -0.249 0.000 2.216 235 R HA 0.390 4.729 4.340 -0.000 0.000 0.332 235 R C -0.809 175.336 176.300 -0.258 0.000 1.056 235 R CA -0.288 55.718 56.100 -0.158 0.000 0.901 235 R CB -0.313 29.939 30.300 -0.081 0.000 1.039 235 R HN 0.477 nan 8.270 nan 0.000 0.456 236 F N 1.146 121.074 119.950 -0.037 0.000 2.420 236 F HA 0.277 4.803 4.527 -0.000 0.000 0.352 236 F C 1.351 177.129 175.800 -0.037 0.000 1.108 236 F CA -0.216 57.757 58.000 -0.045 0.000 1.162 236 F CB 1.459 40.415 39.000 -0.075 0.000 1.118 236 F HN 0.648 nan 8.300 nan 0.000 0.510 237 A N 2.886 125.785 122.820 0.131 0.000 1.935 237 A HA 0.261 4.581 4.320 -0.000 0.000 0.214 237 A C 0.355 177.992 177.584 0.087 0.000 1.178 237 A CA 0.721 52.805 52.037 0.079 0.000 0.640 237 A CB 0.013 19.041 19.000 0.046 0.000 0.825 237 A HN 0.424 nan 8.150 nan 0.000 0.447 238 V N -0.967 119.015 119.914 0.112 0.000 2.709 238 V HA 0.658 4.778 4.120 -0.000 0.000 0.308 238 V C 0.068 176.192 176.094 0.049 0.000 1.062 238 V CA -0.229 62.118 62.300 0.079 0.000 0.901 238 V CB 1.613 33.476 31.823 0.067 0.000 1.003 238 V HN 0.408 nan 8.190 nan 0.000 0.425 239 G N 2.028 110.819 108.800 -0.015 0.000 2.513 239 G HA2 0.802 4.762 3.960 -0.000 0.000 0.317 239 G HA3 0.802 4.762 3.960 -0.000 0.000 0.317 239 G C -0.870 174.120 174.900 0.149 0.000 1.277 239 G CA -0.297 44.713 45.100 -0.149 0.000 0.955 239 G HN 1.161 nan 8.290 nan 0.000 0.484 240 A N 1.444 124.391 122.820 0.213 0.000 2.386 240 A HA 0.795 5.115 4.320 -0.000 0.000 0.311 240 A C -1.736 176.099 177.584 0.419 0.000 1.068 240 A CA -0.694 51.536 52.037 0.322 0.000 0.743 240 A CB 1.643 20.726 19.000 0.138 0.000 1.258 240 A HN 1.033 nan 8.150 nan 0.000 0.429 241 F N 2.433 122.444 119.950 0.102 0.000 2.449 241 F HA 0.442 4.969 4.527 -0.000 0.000 0.342 241 F C 1.367 177.135 175.800 -0.053 0.000 1.127 241 F CA 0.130 58.097 58.000 -0.055 0.000 0.975 241 F CB 2.002 40.713 39.000 -0.482 0.000 1.146 241 F HN 0.696 nan 8.300 nan 0.000 0.444 242 T N 1.532 115.784 114.554 -0.504 0.000 2.781 242 T HA 0.207 4.557 4.350 -0.000 0.000 0.252 242 T C 0.043 174.486 174.700 -0.428 0.000 1.039 242 T CA 1.154 63.053 62.100 -0.334 0.000 1.147 242 T CB -0.464 68.276 68.868 -0.213 0.000 0.865 242 T HN 0.738 nan 8.240 nan 0.000 0.423 243 N N -0.840 117.347 118.700 -0.856 0.000 3.836 243 N HA 0.492 5.231 4.740 -0.000 0.000 0.229 243 N C -2.260 173.005 175.510 -0.409 0.000 1.375 243 N CA -1.066 51.746 53.050 -0.396 0.000 0.838 243 N CB 1.014 39.415 38.487 -0.143 0.000 1.447 243 N HN 0.352 nan 8.380 nan 0.000 0.458 244 L N 0.055 121.268 121.223 -0.017 0.000 2.493 244 L HA 0.887 5.227 4.340 -0.000 0.000 0.265 244 L C -1.371 175.542 176.870 0.071 0.000 0.954 244 L CA 0.122 54.984 54.840 0.037 0.000 0.844 244 L CB 2.025 44.186 42.059 0.170 0.000 1.302 244 L HN 1.089 nan 8.230 nan 0.000 0.405 245 S N 2.405 118.166 115.700 0.101 0.000 2.638 245 S HA 0.652 5.122 4.470 -0.000 0.000 0.274 245 S C -1.103 173.605 174.600 0.180 0.000 1.157 245 S CA -1.206 57.052 58.200 0.097 0.000 0.826 245 S CB 1.502 64.716 63.200 0.023 0.000 1.139 245 S HN 0.803 nan 8.310 nan 0.000 0.474 246 R N 1.005 121.574 120.500 0.114 0.000 2.404 246 R HA 0.540 4.879 4.340 -0.000 0.000 0.315 246 R C -1.182 175.135 176.300 0.028 0.000 1.032 246 R CA 0.077 56.246 56.100 0.115 0.000 0.992 246 R CB -0.341 29.994 30.300 0.057 0.000 0.959 246 R HN 0.681 nan 8.270 nan 0.000 0.428 247 D N 0.365 120.759 120.400 -0.010 0.000 2.615 247 D HA 0.183 4.823 4.640 -0.000 0.000 0.267 247 D C -0.316 175.759 176.300 -0.376 0.000 1.236 247 D CA -0.387 53.470 54.000 -0.239 0.000 0.839 247 D CB 0.921 41.600 40.800 -0.201 0.000 1.380 247 D HN 0.705 nan 8.370 nan 0.000 0.433 248 H N 0.799 119.750 119.070 -0.198 0.000 2.861 248 H HA -0.159 4.397 4.556 -0.000 0.000 0.289 248 H C 0.951 176.227 175.328 -0.087 0.000 1.176 248 H CA 0.231 56.196 56.048 -0.137 0.000 1.146 248 H CB -0.975 28.683 29.762 -0.173 0.000 1.330 248 H HN 0.195 nan 8.280 nan 0.000 0.379 249 L N 1.799 123.010 121.223 -0.020 0.000 2.610 249 L HA -0.028 4.312 4.340 -0.000 0.000 0.232 249 L C 2.061 178.951 176.870 0.032 0.000 1.149 249 L CA 1.582 56.432 54.840 0.016 0.000 0.872 249 L CB -0.367 41.691 42.059 -0.003 0.000 0.992 249 L HN 0.457 nan 8.230 nan 0.000 0.447 250 D N -2.846 117.589 120.400 0.059 0.000 2.339 250 D HA -0.138 4.502 4.640 -0.000 0.000 0.217 250 D C 1.818 178.194 176.300 0.127 0.000 1.050 250 D CA 0.235 54.279 54.000 0.073 0.000 0.856 250 D CB 0.066 40.911 40.800 0.074 0.000 0.922 250 D HN 0.353 nan 8.370 nan 0.000 0.518 251 F N 1.133 121.045 119.950 -0.063 0.000 2.532 251 F HA 0.154 4.681 4.527 0.000 0.000 0.276 251 F C 0.729 176.389 175.800 -0.234 0.000 0.911 251 F CA -0.162 57.730 58.000 -0.180 0.000 1.196 251 F CB 0.279 39.060 39.000 -0.363 0.000 1.087 251 F HN -0.222 nan 8.300 nan 0.000 0.775 252 H N 2.269 121.222 119.070 -0.195 0.000 2.646 252 H HA 0.178 4.734 4.556 -0.000 0.000 0.325 252 H C -1.754 173.488 175.328 -0.143 0.000 1.075 252 H CA -1.653 54.251 56.048 -0.240 0.000 1.421 252 H CB 0.779 30.527 29.762 -0.025 0.000 1.461 252 H HN 0.100 nan 8.280 nan 0.000 0.525 253 P HA -0.080 nan 4.420 nan 0.000 0.230 253 P C -0.048 177.268 177.300 0.026 0.000 1.158 253 P CA 0.827 63.915 63.100 -0.020 0.000 0.769 253 P CB 0.548 32.226 31.700 -0.037 0.000 0.807 254 S N -3.984 111.757 115.700 0.069 0.000 2.611 254 S HA 0.329 4.799 4.470 -0.000 0.000 0.268 254 S C 0.586 175.261 174.600 0.124 0.000 1.156 254 S CA -0.783 57.462 58.200 0.075 0.000 0.817 254 S CB 0.296 63.527 63.200 0.051 0.000 1.122 254 S HN -0.349 nan 8.310 nan 0.000 0.466 255 M N 1.164 120.838 119.600 0.124 0.000 2.213 255 M HA -0.010 4.470 4.480 -0.000 0.000 0.263 255 M C 2.380 178.785 176.300 0.174 0.000 1.062 255 M CA 2.213 57.625 55.300 0.187 0.000 1.105 255 M CB -2.058 30.621 32.600 0.132 0.000 1.385 255 M HN 0.963 nan 8.290 nan 0.000 0.417 256 A N 0.435 123.317 122.820 0.105 0.000 1.845 256 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 256 A C 1.908 179.574 177.584 0.137 0.000 1.195 256 A CA 1.980 54.075 52.037 0.097 0.000 0.616 256 A CB -0.858 18.172 19.000 0.050 0.000 0.832 256 A HN 0.389 nan 8.150 nan 0.000 0.443 257 D N -1.535 118.924 120.400 0.098 0.000 2.133 257 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 257 D C 1.685 177.970 176.300 -0.024 0.000 0.997 257 D CA 1.683 55.725 54.000 0.069 0.000 0.840 257 D CB -0.445 40.405 40.800 0.083 0.000 0.947 257 D HN 0.538 nan 8.370 nan 0.000 0.452 258 Y N 0.650 120.801 120.300 -0.247 0.000 2.114 258 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 258 Y C 2.185 177.987 175.900 -0.163 0.000 1.143 258 Y CA 1.042 58.843 58.100 -0.498 0.000 1.135 258 Y CB -1.097 37.260 38.460 -0.171 0.000 0.980 258 Y HN -0.030 nan 8.280 nan 0.000 0.499 259 F N 1.062 120.920 119.950 -0.153 0.000 2.095 259 F HA -0.206 4.320 4.527 -0.000 0.000 0.298 259 F C 2.272 178.016 175.800 -0.094 0.000 1.104 259 F CA 2.148 60.048 58.000 -0.167 0.000 1.232 259 F CB -0.233 38.701 39.000 -0.109 0.000 0.987 259 F HN 0.007 nan 8.300 nan 0.000 0.475 260 E N 1.193 121.430 120.200 0.062 0.000 2.077 260 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 260 E C 1.475 178.041 176.600 -0.057 0.000 0.989 260 E CA 0.830 57.233 56.400 0.005 0.000 0.800 260 E CB -1.069 28.680 29.700 0.081 0.000 0.746 260 E HN 0.426 nan 8.360 nan 0.000 0.452 264 S N 0.171 115.837 115.700 -0.056 0.000 2.413 264 S HA -0.225 4.245 4.470 -0.000 0.000 0.237 264 S C 1.544 176.050 174.600 -0.157 0.000 1.044 264 S CA 1.959 60.118 58.200 -0.068 0.000 1.024 264 S CB -0.254 62.915 63.200 -0.050 0.000 0.829 264 S HN 0.527 nan 8.310 nan 0.000 0.475 265 L N -0.653 120.377 121.223 -0.322 0.000 2.509 265 L HA 0.328 4.668 4.340 -0.000 0.000 0.222 265 L C 0.761 177.137 176.870 -0.824 0.000 1.123 265 L CA 1.232 55.652 54.840 -0.701 0.000 0.856 265 L CB -0.287 41.097 42.059 -1.125 0.000 0.985 265 L HN 0.227 nan 8.230 nan 0.000 0.456 266 F N -2.724 117.165 119.950 -0.102 0.000 2.784 266 F HA 0.247 4.773 4.527 -0.000 0.000 0.316 266 F C 0.948 176.711 175.800 -0.063 0.000 1.026 266 F CA -0.933 57.014 58.000 -0.088 0.000 1.188 266 F CB -0.116 38.804 39.000 -0.134 0.000 0.999 266 F HN -0.195 nan 8.300 nan 0.000 0.605 267 D N 3.319 123.771 120.400 0.087 0.000 2.434 267 D HA 0.008 4.647 4.640 -0.000 0.000 0.252 267 D C -1.808 174.512 176.300 0.033 0.000 1.185 267 D CA -1.098 52.933 54.000 0.051 0.000 0.886 267 D CB 1.567 42.386 40.800 0.031 0.000 1.148 267 D HN -0.004 nan 8.370 nan 0.000 0.483 268 P HA -0.105 nan 4.420 nan 0.000 0.216 268 P C 0.502 177.814 177.300 0.020 0.000 1.150 268 P CA 0.937 64.054 63.100 0.029 0.000 0.837 268 P CB 0.307 32.026 31.700 0.030 0.000 0.786 269 D N -1.267 119.145 120.400 0.020 0.000 2.355 269 D HA -0.003 4.636 4.640 -0.000 0.000 0.218 269 D C 0.752 177.060 176.300 0.014 0.000 1.004 269 D CA 0.534 54.544 54.000 0.017 0.000 0.880 269 D CB -0.303 40.508 40.800 0.017 0.000 0.911 269 D HN 0.128 nan 8.370 nan 0.000 0.528 270 S N 0.179 115.886 115.700 0.011 0.000 2.549 270 S HA 0.270 4.740 4.470 -0.000 0.000 0.283 270 S C 1.472 176.077 174.600 0.007 0.000 1.320 270 S CA -0.126 58.078 58.200 0.006 0.000 1.058 270 S CB 1.507 64.703 63.200 -0.008 0.000 0.882 270 S HN 0.154 nan 8.310 nan 0.000 0.498 271 A N 4.547 127.375 122.820 0.014 0.000 2.024 271 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 271 A C 1.740 179.342 177.584 0.029 0.000 1.164 271 A CA 1.307 53.357 52.037 0.022 0.000 0.643 271 A CB -0.563 18.453 19.000 0.027 0.000 0.806 271 A HN 0.855 nan 8.150 nan 0.000 0.451 272 L N -0.675 120.560 121.223 0.019 0.000 2.653 272 L HA 0.170 4.510 4.340 -0.000 0.000 0.231 272 L C 0.838 177.696 176.870 -0.019 0.000 1.153 272 L CA -0.593 54.267 54.840 0.033 0.000 0.933 272 L CB -0.045 42.024 42.059 0.017 0.000 1.175 272 L HN 0.187 nan 8.230 nan 0.000 0.473 273 R N 2.366 122.848 120.500 -0.032 0.000 2.494 273 R HA 0.085 4.425 4.340 -0.000 0.000 0.291 273 R C 0.042 176.324 176.300 -0.030 0.000 0.953 273 R CA 0.251 56.316 56.100 -0.059 0.000 1.098 273 R CB 0.039 30.330 30.300 -0.016 0.000 0.911 273 R HN 0.198 nan 8.270 nan 0.000 0.407 274 A N 4.947 127.711 122.820 -0.093 0.000 2.351 274 A HA 0.253 4.573 4.320 -0.000 0.000 0.257 274 A C 1.052 178.648 177.584 0.020 0.000 1.087 274 A CA -0.449 51.584 52.037 -0.006 0.000 0.798 274 A CB 0.524 19.474 19.000 -0.083 0.000 1.033 274 A HN 0.827 nan 8.150 nan 0.000 0.488 275 R N 0.030 120.560 120.500 0.050 0.000 2.094 275 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 275 R C 0.873 177.198 176.300 0.042 0.000 1.137 275 R CA 2.120 58.244 56.100 0.040 0.000 0.943 275 R CB -0.606 29.718 30.300 0.040 0.000 0.850 275 R HN 0.921 nan 8.270 nan 0.000 0.433 276 T N -2.183 112.401 114.554 0.051 0.000 2.886 276 T HA 0.686 5.036 4.350 -0.000 0.000 0.292 276 T C -1.297 173.456 174.700 0.089 0.000 1.012 276 T CA -0.590 61.548 62.100 0.063 0.000 0.982 276 T CB 2.073 70.975 68.868 0.057 0.000 1.018 276 T HN 0.195 nan 8.240 nan 0.000 0.451 277 A N 3.469 126.365 122.820 0.126 0.000 2.288 277 A HA 0.736 5.056 4.320 -0.000 0.000 0.320 277 A C -0.467 177.236 177.584 0.197 0.000 1.217 277 A CA -0.688 51.482 52.037 0.222 0.000 0.840 277 A CB 1.067 20.249 19.000 0.304 0.000 1.179 277 A HN 0.898 nan 8.150 nan 0.000 0.504 278 V N 3.461 123.506 119.914 0.218 0.000 2.384 278 V HA 0.496 4.615 4.120 -0.000 0.000 0.287 278 V C -0.481 175.703 176.094 0.150 0.000 1.020 278 V CA -0.369 62.027 62.300 0.159 0.000 0.850 278 V CB 1.425 33.311 31.823 0.106 0.000 0.987 278 V HN 0.639 nan 8.190 nan 0.000 0.436 279 V N 4.224 124.201 119.914 0.106 0.000 2.525 279 V HA 0.282 4.402 4.120 -0.000 0.000 0.299 279 V C -0.070 176.084 176.094 0.100 0.000 1.034 279 V CA -0.638 61.696 62.300 0.057 0.000 0.863 279 V CB 1.875 33.635 31.823 -0.105 0.000 0.999 279 V HN 1.001 nan 8.190 nan 0.000 0.423 280 C N 6.927 126.316 119.300 0.149 0.000 2.627 280 C HA 0.362 4.822 4.460 -0.000 0.000 0.404 280 C C 1.276 176.341 174.990 0.126 0.000 1.340 280 C CA -0.411 58.681 59.018 0.123 0.000 1.758 280 C CB -1.266 26.532 27.740 0.098 0.000 2.501 280 C HN 0.674 nan 8.230 nan 0.000 0.588 281 I N 4.554 125.168 120.570 0.073 0.000 2.753 281 I HA 0.132 4.302 4.170 -0.000 0.000 0.122 281 I C 1.668 177.821 176.117 0.059 0.000 1.411 281 I CA 0.872 62.200 61.300 0.047 0.000 0.969 281 I CB -0.778 37.234 38.000 0.020 0.000 1.597 281 I HN 0.683 nan 8.210 nan 0.000 0.887 282 D N -0.675 119.747 120.400 0.036 0.000 2.705 282 D HA -0.171 4.469 4.640 -0.000 0.000 0.187 282 D C -0.033 176.289 176.300 0.036 0.000 1.015 282 D CA 1.589 55.609 54.000 0.034 0.000 1.030 282 D CB -0.696 40.128 40.800 0.040 0.000 1.100 282 D HN 0.567 nan 8.370 nan 0.000 0.439 283 D N -0.968 119.462 120.400 0.050 0.000 2.732 283 D HA 0.218 4.858 4.640 -0.000 0.000 0.229 283 D C 0.469 176.792 176.300 0.038 0.000 1.152 283 D CA -0.477 53.558 54.000 0.059 0.000 0.854 283 D CB 1.659 42.534 40.800 0.124 0.000 1.590 283 D HN -0.335 nan 8.370 nan 0.000 0.468 284 D N 1.718 122.127 120.400 0.014 0.000 2.097 284 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 284 D C 1.774 178.051 176.300 -0.038 0.000 0.989 284 D CA 1.651 55.637 54.000 -0.024 0.000 0.827 284 D CB -0.104 40.670 40.800 -0.042 0.000 0.966 284 D HN 0.507 nan 8.370 nan 0.000 0.456 285 A N 0.667 123.494 122.820 0.011 0.000 1.917 285 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 285 A C 2.391 179.995 177.584 0.032 0.000 1.182 285 A CA 2.372 54.450 52.037 0.067 0.000 0.633 285 A CB -1.234 17.932 19.000 0.276 0.000 0.819 285 A HN 0.319 nan 8.150 nan 0.000 0.448 286 G N -0.859 108.021 108.800 0.132 0.000 2.476 286 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 286 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 286 G C 1.774 176.607 174.900 -0.111 0.000 1.164 286 G CA 1.202 46.336 45.100 0.056 0.000 0.768 286 G HN 0.549 nan 8.290 nan 0.000 0.560 287 R N 0.249 120.717 120.500 -0.054 0.000 2.092 287 R HA 0.110 4.450 4.340 -0.000 0.000 0.231 287 R C 2.937 179.185 176.300 -0.087 0.000 1.119 287 R CA 1.250 57.313 56.100 -0.062 0.000 0.970 287 R CB -0.267 30.006 30.300 -0.044 0.000 0.864 287 R HN 0.332 nan 8.270 nan 0.000 0.440 288 A N 0.250 123.009 122.820 -0.101 0.000 1.898 288 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 288 A C 2.055 179.629 177.584 -0.018 0.000 1.181 288 A CA 1.107 53.092 52.037 -0.086 0.000 0.620 288 A CB -0.296 18.569 19.000 -0.226 0.000 0.819 288 A HN 0.196 nan 8.150 nan 0.000 0.442 289 M N -0.356 119.157 119.600 -0.145 0.000 2.117 289 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 289 M C 2.552 178.670 176.300 -0.302 0.000 1.065 289 M CA 1.546 56.604 55.300 -0.402 0.000 1.114 289 M CB -1.434 30.486 32.600 -1.133 0.000 1.361 289 M HN 0.495 nan 8.290 nan 0.000 0.408 290 A N 0.380 123.061 122.820 -0.232 0.000 1.873 290 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 290 A C 2.414 179.968 177.584 -0.051 0.000 1.193 290 A CA 2.570 54.539 52.037 -0.113 0.000 0.629 290 A CB -1.099 17.864 19.000 -0.061 0.000 0.826 290 A HN 0.503 nan 8.150 nan 0.000 0.447 291 A N -0.614 122.179 122.820 -0.045 0.000 1.940 291 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 291 A C 2.190 179.771 177.584 -0.005 0.000 1.176 291 A CA 2.295 54.321 52.037 -0.018 0.000 0.631 291 A CB -0.452 18.534 19.000 -0.023 0.000 0.814 291 A HN 0.492 nan 8.150 nan 0.000 0.446 292 R N 0.007 120.501 120.500 -0.010 0.000 2.073 292 R HA -0.007 4.333 4.340 -0.000 0.000 0.234 292 R C 2.171 178.489 176.300 0.030 0.000 1.134 292 R CA 1.883 57.993 56.100 0.016 0.000 0.952 292 R CB -0.834 29.479 30.300 0.021 0.000 0.850 292 R HN 0.392 nan 8.270 nan 0.000 0.433 293 A N -0.518 122.317 122.820 0.026 0.000 2.070 293 A HA 0.174 4.494 4.320 -0.000 0.000 0.220 293 A C 1.829 179.447 177.584 0.057 0.000 1.159 293 A CA 1.845 53.928 52.037 0.076 0.000 0.656 293 A CB -0.583 18.485 19.000 0.112 0.000 0.800 293 A HN 0.683 nan 8.150 nan 0.000 0.453 294 A N -0.512 122.331 122.820 0.038 0.000 4.219 294 A HA -0.307 4.013 4.320 -0.000 0.000 0.252 294 A C 0.797 178.411 177.584 0.049 0.000 0.737 294 A CA 2.174 54.233 52.037 0.037 0.000 1.245 294 A CB -2.113 16.907 19.000 0.034 0.000 1.105 294 A HN 1.214 nan 8.150 nan 0.000 0.713 295 D N -1.508 118.927 120.400 0.059 0.000 2.908 295 D HA 0.612 5.252 4.640 -0.000 0.000 0.361 295 D C -0.022 176.325 176.300 0.078 0.000 1.416 295 D CA 0.695 54.733 54.000 0.063 0.000 0.796 295 D CB -0.596 40.230 40.800 0.044 0.000 1.185 295 D HN 1.248 nan 8.370 nan 0.000 0.451 296 A N 0.481 123.360 122.820 0.099 0.000 2.407 296 A HA 0.478 4.798 4.320 -0.000 0.000 0.248 296 A C 0.393 178.078 177.584 0.168 0.000 1.082 296 A CA -0.449 51.660 52.037 0.120 0.000 0.785 296 A CB 0.210 19.264 19.000 0.089 0.000 1.020 296 A HN 0.412 nan 8.150 nan 0.000 0.489 297 I N 2.361 123.028 120.570 0.161 0.000 2.421 297 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 297 I C 1.091 177.434 176.117 0.376 0.000 1.089 297 I CA 0.184 61.636 61.300 0.254 0.000 1.354 297 I CB 0.549 38.665 38.000 0.192 0.000 1.413 297 I HN 0.765 nan 8.210 nan 0.000 0.513 298 T N 3.543 118.439 114.554 0.570 0.000 2.913 298 T HA 0.639 4.989 4.350 -0.000 0.000 0.287 298 T C -0.329 174.519 174.700 0.247 0.000 1.008 298 T CA -0.697 61.549 62.100 0.243 0.000 1.067 298 T CB 1.852 70.752 68.868 0.053 0.000 0.996 298 T HN 0.225 nan 8.240 nan 0.000 0.513 299 V N 2.065 122.078 119.914 0.166 0.000 2.623 299 V HA 0.708 4.828 4.120 -0.000 0.000 0.304 299 V C -0.431 175.725 176.094 0.104 0.000 1.054 299 V CA -0.705 61.697 62.300 0.170 0.000 0.882 299 V CB 2.009 33.900 31.823 0.113 0.000 1.002 299 V HN 1.157 nan 8.190 nan 0.000 0.424 300 S N 3.428 119.189 115.700 0.102 0.000 2.614 300 S HA 0.727 5.197 4.470 -0.000 0.000 0.288 300 S C 0.301 174.924 174.600 0.038 0.000 1.137 300 S CA 0.278 58.511 58.200 0.056 0.000 0.992 300 S CB 1.897 65.119 63.200 0.038 0.000 1.026 300 S HN 1.084 nan 8.310 nan 0.000 0.486 301 A N 3.297 126.119 122.820 0.004 0.000 2.387 301 A HA 0.675 4.995 4.320 -0.000 0.000 0.234 301 A C 1.052 178.623 177.584 -0.021 0.000 1.253 301 A CA 0.376 52.390 52.037 -0.038 0.000 0.894 301 A CB -0.092 18.848 19.000 -0.099 0.000 0.963 301 A HN 1.253 nan 8.150 nan 0.000 0.508 302 A N -0.735 122.085 122.820 0.001 0.000 2.705 302 A HA 0.520 4.840 4.320 -0.000 0.000 0.294 302 A C 0.223 177.812 177.584 0.008 0.000 1.039 302 A CA 0.443 52.483 52.037 0.005 0.000 1.005 302 A CB -0.286 18.720 19.000 0.010 0.000 1.192 302 A HN 0.278 nan 8.150 nan 0.000 0.513 303 D N -0.508 119.898 120.400 0.010 0.000 3.041 303 D HA -0.143 4.497 4.640 -0.000 0.000 0.220 303 D C 0.247 176.550 176.300 0.006 0.000 1.157 303 D CA 1.339 55.346 54.000 0.010 0.000 0.876 303 D CB -0.936 39.870 40.800 0.009 0.000 1.107 303 D HN 0.761 nan 8.370 nan 0.000 0.422 304 R N 0.144 120.646 120.500 0.005 0.000 2.536 304 R HA 0.647 4.987 4.340 -0.000 0.000 0.279 304 R C -2.439 173.855 176.300 -0.010 0.000 1.001 304 R CA -1.760 54.338 56.100 -0.004 0.000 1.027 304 R CB 0.595 30.892 30.300 -0.005 0.000 1.096 304 R HN -0.010 nan 8.270 nan 0.000 0.502 305 P HA 0.231 nan 4.420 nan 0.000 0.276 305 P C -1.260 175.996 177.300 -0.074 0.000 1.235 305 P CA -0.153 62.922 63.100 -0.042 0.000 0.772 305 P CB 1.391 33.063 31.700 -0.048 0.000 0.871 306 A N 1.939 124.707 122.820 -0.086 0.000 2.599 306 A HA 0.432 4.752 4.320 -0.000 0.000 0.290 306 A C 0.652 178.150 177.584 -0.144 0.000 1.101 306 A CA -0.476 51.474 52.037 -0.144 0.000 0.674 306 A CB 0.348 19.343 19.000 -0.008 0.000 1.277 306 A HN 0.566 nan 8.150 nan 0.000 0.419 307 H N -1.095 118.030 119.070 0.091 0.000 2.387 307 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 307 H C -0.487 174.815 175.328 -0.043 0.000 1.090 307 H CA 1.514 57.580 56.048 0.031 0.000 1.332 307 H CB 0.074 29.893 29.762 0.095 0.000 1.386 307 H HN 0.573 nan 8.280 nan 0.000 0.516 308 W N 0.934 122.314 121.300 0.133 0.000 2.587 308 W HA 0.506 5.166 4.660 -0.000 0.000 0.324 308 W C 0.045 176.607 176.519 0.072 0.000 1.040 308 W CA -0.617 56.793 57.345 0.109 0.000 1.222 308 W CB 1.335 30.863 29.460 0.114 0.000 1.381 308 W HN -0.241 nan 8.180 nan 0.000 0.483 309 R N 1.679 122.347 120.500 0.281 0.000 2.795 309 R HA 0.856 5.196 4.340 -0.000 0.000 0.275 309 R C -0.871 175.555 176.300 0.211 0.000 0.981 309 R CA -1.177 55.032 56.100 0.181 0.000 0.917 309 R CB 2.067 32.425 30.300 0.098 0.000 1.202 309 R HN 0.499 nan 8.270 nan 0.000 0.469 310 A N 0.885 123.786 122.820 0.136 0.000 2.317 310 A HA 0.676 4.996 4.320 -0.000 0.000 0.327 310 A C -0.335 177.326 177.584 0.127 0.000 1.178 310 A CA -0.471 51.657 52.037 0.152 0.000 0.817 310 A CB 1.201 20.138 19.000 -0.105 0.000 1.189 310 A HN 0.733 nan 8.150 nan 0.000 0.489 311 T N -1.336 113.331 114.554 0.189 0.000 2.883 311 T HA 0.590 4.940 4.350 -0.000 0.000 0.296 311 T C -0.811 173.985 174.700 0.160 0.000 1.117 311 T CA -0.213 61.964 62.100 0.127 0.000 1.006 311 T CB 1.370 70.288 68.868 0.083 0.000 1.191 311 T HN 0.698 nan 8.240 nan 0.000 0.508 312 D N -0.054 120.415 120.400 0.115 0.000 2.699 312 D HA -0.112 4.528 4.640 -0.000 0.000 0.239 312 D C -0.057 176.342 176.300 0.165 0.000 1.136 312 D CA 0.476 54.549 54.000 0.122 0.000 0.668 312 D CB -1.745 39.126 40.800 0.119 0.000 1.060 312 D HN 0.601 nan 8.370 nan 0.000 0.429 313 V N 0.058 120.060 119.914 0.148 0.000 2.421 313 V HA 0.417 4.537 4.120 -0.000 0.000 0.271 313 V C 1.004 177.166 176.094 0.114 0.000 1.031 313 V CA 0.297 62.689 62.300 0.154 0.000 1.032 313 V CB 1.064 32.928 31.823 0.069 0.000 1.009 313 V HN 0.433 nan 8.190 nan 0.000 0.477 314 A N 8.490 131.388 122.820 0.130 0.000 2.356 314 A HA 0.917 5.237 4.320 -0.000 0.000 0.310 314 A C -2.667 174.965 177.584 0.080 0.000 1.075 314 A CA -1.832 50.258 52.037 0.089 0.000 0.746 314 A CB 1.792 20.840 19.000 0.080 0.000 1.221 314 A HN 0.600 nan 8.150 nan 0.000 0.443 315 P HA 0.454 nan 4.420 nan 0.000 0.276 315 P C -0.266 177.057 177.300 0.039 0.000 1.244 315 P CA 0.068 63.196 63.100 0.046 0.000 0.801 315 P CB 1.312 33.034 31.700 0.035 0.000 1.006 316 T N -2.618 111.955 114.554 0.033 0.000 2.906 316 T HA 0.454 4.804 4.350 -0.000 0.000 0.295 316 T C -0.351 174.360 174.700 0.018 0.000 1.075 316 T CA -0.904 61.209 62.100 0.023 0.000 1.005 316 T CB 0.632 69.511 68.868 0.019 0.000 1.136 316 T HN 0.402 nan 8.240 nan 0.000 0.498 317 D N 0.572 120.980 120.400 0.013 0.000 2.370 317 D HA 0.294 4.934 4.640 -0.000 0.000 0.235 317 D C 1.132 177.438 176.300 0.011 0.000 1.228 317 D CA 0.371 54.378 54.000 0.011 0.000 0.884 317 D CB -0.547 40.258 40.800 0.007 0.000 1.201 317 D HN 1.617 nan 8.370 nan 0.000 0.456 318 A N -0.004 122.823 122.820 0.011 0.000 2.832 318 A HA 0.119 4.438 4.320 -0.000 0.000 0.280 318 A C 1.574 179.167 177.584 0.015 0.000 1.464 318 A CA 1.517 53.561 52.037 0.012 0.000 0.804 318 A CB -2.221 16.785 19.000 0.009 0.000 1.020 318 A HN 2.146 nan 8.150 nan 0.000 0.563 319 G N -2.742 106.069 108.800 0.018 0.000 2.283 319 G HA2 0.132 4.091 3.960 -0.000 0.000 0.280 319 G HA3 0.132 4.091 3.960 -0.000 0.000 0.280 319 G C 1.396 176.307 174.900 0.018 0.000 1.029 319 G CA 1.318 46.430 45.100 0.020 0.000 0.840 319 G HN 2.551 nan 8.290 nan 0.000 0.505 320 G N -1.837 106.975 108.800 0.021 0.000 2.820 320 G HA2 0.730 4.690 3.960 -0.000 0.000 0.291 320 G HA3 0.730 4.690 3.960 -0.000 0.000 0.291 320 G C -0.634 174.291 174.900 0.041 0.000 1.323 320 G CA -0.280 44.836 45.100 0.027 0.000 1.055 320 G HN 0.555 nan 8.290 nan 0.000 0.520 321 Q N -0.886 118.952 119.800 0.064 0.000 2.315 321 Q HA 0.438 4.778 4.340 -0.000 0.000 0.273 321 Q C -1.230 174.860 176.000 0.149 0.000 1.053 321 Q CA -0.665 55.201 55.803 0.106 0.000 0.817 321 Q CB 2.204 31.010 28.738 0.114 0.000 1.326 321 Q HN 0.693 nan 8.270 nan 0.000 0.423 322 Q N 2.792 122.687 119.800 0.157 0.000 2.375 322 Q HA 0.734 5.074 4.340 -0.000 0.000 0.271 322 Q C -1.272 174.884 176.000 0.260 0.000 1.074 322 Q CA -0.804 55.085 55.803 0.143 0.000 0.808 322 Q CB 1.851 30.613 28.738 0.040 0.000 1.327 322 Q HN 0.518 nan 8.270 nan 0.000 0.441 323 F N -2.024 117.991 119.950 0.108 0.000 2.715 323 F HA 0.718 5.245 4.527 -0.000 0.000 0.318 323 F C -1.220 174.658 175.800 0.130 0.000 1.141 323 F CA -1.074 56.989 58.000 0.106 0.000 0.950 323 F CB 1.595 40.639 39.000 0.074 0.000 1.374 323 F HN 0.354 nan 8.300 nan 0.000 0.477 324 T N 1.762 116.454 114.554 0.229 0.000 2.767 324 T HA 0.697 5.047 4.350 -0.000 0.000 0.284 324 T C -0.341 174.532 174.700 0.289 0.000 0.973 324 T CA -0.352 61.785 62.100 0.062 0.000 0.996 324 T CB 1.142 69.989 68.868 -0.036 0.000 0.927 324 T HN 0.885 nan 8.240 nan 0.000 0.456 325 A N 4.263 127.236 122.820 0.254 0.000 2.260 325 A HA 0.678 4.998 4.320 -0.000 0.000 0.308 325 A C -0.038 177.767 177.584 0.367 0.000 1.254 325 A CA -0.695 51.621 52.037 0.465 0.000 0.874 325 A CB -0.057 19.281 19.000 0.563 0.000 1.153 325 A HN 0.895 nan 8.150 nan 0.000 0.527 326 I N 3.340 124.073 120.570 0.272 0.000 2.304 326 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 326 I C -0.087 175.959 176.117 -0.118 0.000 1.018 326 I CA -0.712 60.636 61.300 0.080 0.000 1.260 326 I CB 1.215 39.230 38.000 0.024 0.000 1.390 326 I HN 0.807 nan 8.210 nan 0.000 0.475 327 D N 7.553 127.749 120.400 -0.340 0.000 2.398 327 D HA 0.174 4.814 4.640 -0.000 0.000 0.247 327 D C -2.035 173.867 176.300 -0.664 0.000 1.227 327 D CA -2.021 51.349 54.000 -1.050 0.000 0.980 327 D CB 0.116 40.384 40.800 -0.887 0.000 1.106 327 D HN 0.154 nan 8.370 nan 0.000 0.493 328 P HA -0.034 nan 4.420 nan 0.000 0.222 328 P C 0.917 178.120 177.300 -0.163 0.000 1.147 328 P CA 1.746 64.678 63.100 -0.279 0.000 0.790 328 P CB -0.135 31.447 31.700 -0.197 0.000 0.780 329 A N -0.766 121.947 122.820 -0.178 0.000 2.206 329 A HA 0.356 4.676 4.320 -0.000 0.000 0.211 329 A C 1.740 179.268 177.584 -0.095 0.000 1.158 329 A CA 0.992 52.967 52.037 -0.102 0.000 0.761 329 A CB -1.267 17.686 19.000 -0.078 0.000 0.801 329 A HN 0.256 nan 8.150 nan 0.000 0.473 330 G N -1.431 107.295 108.800 -0.123 0.000 2.141 330 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.242 330 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.242 330 G C 0.370 175.205 174.900 -0.109 0.000 0.982 330 G CA 0.443 45.483 45.100 -0.099 0.000 0.662 330 G HN 1.708 nan 8.290 nan 0.000 0.527 331 V N 0.623 120.457 119.914 -0.134 0.000 2.465 331 V HA 0.845 4.965 4.120 -0.000 0.000 0.279 331 V C 0.851 176.774 176.094 -0.285 0.000 1.045 331 V CA 0.372 62.555 62.300 -0.194 0.000 0.938 331 V CB 1.362 33.067 31.823 -0.198 0.000 0.986 331 V HN 1.219 nan 8.190 nan 0.000 0.467 332 G N 4.577 113.194 108.800 -0.304 0.000 2.415 332 G HA2 0.538 4.498 3.960 -0.000 0.000 0.269 332 G HA3 0.538 4.498 3.960 -0.000 0.000 0.269 332 G C -1.037 173.539 174.900 -0.539 0.000 1.209 332 G CA -0.350 44.582 45.100 -0.281 0.000 0.835 332 G HN 0.997 nan 8.290 nan 0.000 0.534 333 H N -0.206 118.830 119.070 -0.057 0.000 2.589 333 H HA 0.290 4.846 4.556 -0.000 0.000 0.351 333 H C -0.521 174.734 175.328 -0.121 0.000 1.074 333 H CA -0.748 55.272 56.048 -0.047 0.000 1.203 333 H CB 1.356 31.151 29.762 0.054 0.000 1.558 333 H HN 0.453 nan 8.280 nan 0.000 0.522 334 H N 3.674 122.760 119.070 0.028 0.000 2.944 334 H HA 0.094 4.650 4.556 -0.000 0.000 0.278 334 H C -0.145 175.099 175.328 -0.140 0.000 1.083 334 H CA 0.102 56.109 56.048 -0.068 0.000 1.479 334 H CB 0.121 29.856 29.762 -0.045 0.000 1.486 334 H HN 0.396 nan 8.280 nan 0.000 0.493 335 I N 2.580 123.027 120.570 -0.206 0.000 2.493 335 I HA 0.357 4.527 4.170 -0.000 0.000 0.298 335 I C 1.034 176.945 176.117 -0.344 0.000 0.998 335 I CA -0.734 60.330 61.300 -0.394 0.000 1.137 335 I CB 1.719 39.190 38.000 -0.883 0.000 1.310 335 I HN 0.524 nan 8.210 nan 0.000 0.445 336 G N 6.017 114.719 108.800 -0.163 0.000 2.617 336 G HA2 0.745 4.705 3.960 -0.000 0.000 0.306 336 G HA3 0.745 4.705 3.960 -0.000 0.000 0.306 336 G C -1.490 173.410 174.900 -0.000 0.000 1.360 336 G CA -0.438 44.625 45.100 -0.062 0.000 0.983 336 G HN 0.558 nan 8.290 nan 0.000 0.496 337 I N 1.539 122.143 120.570 0.056 0.000 2.656 337 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 337 I C 0.472 176.619 176.117 0.051 0.000 1.144 337 I CA -1.217 60.127 61.300 0.074 0.000 1.038 337 I CB 2.463 40.555 38.000 0.152 0.000 1.244 337 I HN 0.613 nan 8.210 nan 0.000 0.420 338 R N 4.742 125.260 120.500 0.031 0.000 2.307 338 R HA 0.276 4.616 4.340 -0.000 0.000 0.199 338 R C -0.377 175.927 176.300 0.007 0.000 1.000 338 R CA 0.416 56.526 56.100 0.017 0.000 1.023 338 R CB 0.018 30.325 30.300 0.012 0.000 0.908 338 R HN 0.510 nan 8.270 nan 0.000 0.473 339 L N 1.824 123.047 121.223 -0.000 0.000 2.322 339 L HA 0.476 4.816 4.340 -0.000 0.000 0.279 339 L C -2.207 174.632 176.870 -0.051 0.000 1.036 339 L CA -2.358 52.462 54.840 -0.034 0.000 0.807 339 L CB 1.378 43.400 42.059 -0.062 0.000 1.226 339 L HN -0.120 nan 8.230 nan 0.000 0.433 340 P HA 0.503 nan 4.420 nan 0.000 0.283 340 P C -0.340 176.867 177.300 -0.155 0.000 1.278 340 P CA -0.293 62.767 63.100 -0.066 0.000 0.834 340 P CB 1.621 33.310 31.700 -0.019 0.000 1.150 341 G N 0.269 108.998 108.800 -0.118 0.000 2.788 341 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 341 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 341 G C 0.449 175.234 174.900 -0.192 0.000 1.147 341 G CA -0.232 44.782 45.100 -0.145 0.000 0.755 341 G HN 0.583 nan 8.290 nan 0.000 0.634 342 R N 1.231 121.692 120.500 -0.065 0.000 2.105 342 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 342 R C 2.447 178.703 176.300 -0.073 0.000 1.135 342 R CA 3.214 59.278 56.100 -0.060 0.000 0.967 342 R CB -0.839 29.466 30.300 0.009 0.000 0.861 342 R HN 1.128 nan 8.270 nan 0.000 0.442 343 Y N -1.676 118.595 120.300 -0.048 0.000 2.457 343 Y HA 0.183 4.733 4.550 -0.000 0.000 0.292 343 Y C 1.331 177.200 175.900 -0.052 0.000 1.125 343 Y CA 0.688 58.760 58.100 -0.048 0.000 1.254 343 Y CB -0.524 37.918 38.460 -0.031 0.000 1.012 343 Y HN -0.046 nan 8.280 nan 0.000 0.555 344 N N 0.694 118.962 118.700 -0.720 0.000 2.409 344 N HA -0.078 4.662 4.740 -0.000 0.000 0.179 344 N C 1.745 177.105 175.510 -0.250 0.000 1.032 344 N CA 1.115 53.884 53.050 -0.467 0.000 0.898 344 N CB -0.046 38.151 38.487 -0.484 0.000 0.971 344 N HN 0.377 nan 8.380 nan 0.000 0.441 345 V N 1.157 120.898 119.914 -0.288 0.000 2.427 345 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 345 V C 2.371 178.273 176.094 -0.320 0.000 1.051 345 V CA 1.628 63.665 62.300 -0.438 0.000 1.048 345 V CB -0.810 30.650 31.823 -0.605 0.000 0.666 345 V HN 0.240 nan 8.190 nan 0.000 0.456 346 A N 0.529 123.244 122.820 -0.175 0.000 1.883 346 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 346 A C 2.081 179.635 177.584 -0.050 0.000 1.186 346 A CA 2.107 54.098 52.037 -0.076 0.000 0.624 346 A CB -0.725 18.274 19.000 -0.001 0.000 0.822 346 A HN 0.572 nan 8.150 nan 0.000 0.444 347 N N -0.370 118.309 118.700 -0.036 0.000 2.104 347 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 347 N C 1.785 177.279 175.510 -0.025 0.000 1.024 347 N CA 1.570 54.611 53.050 -0.014 0.000 0.853 347 N CB -1.019 37.468 38.487 0.001 0.000 1.008 347 N HN 0.588 nan 8.380 nan 0.000 0.424 348 C N 0.778 120.064 119.300 -0.023 0.000 2.440 348 C HA 0.111 4.571 4.460 -0.000 0.000 0.278 348 C C 2.704 177.698 174.990 0.007 0.000 1.295 348 C CA 0.034 59.075 59.018 0.039 0.000 1.738 348 C CB -1.205 26.648 27.740 0.189 0.000 1.987 348 C HN 0.373 nan 8.230 nan 0.000 0.492 349 L N 0.266 121.474 121.223 -0.024 0.000 2.017 349 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 349 L C 2.664 179.394 176.870 -0.233 0.000 1.073 349 L CA 1.564 56.356 54.840 -0.080 0.000 0.745 349 L CB -0.829 41.231 42.059 0.002 0.000 0.894 349 L HN 0.213 nan 8.230 nan 0.000 0.432 350 V N 0.236 120.071 119.914 -0.131 0.000 2.282 350 V HA -0.368 3.752 4.120 -0.000 0.000 0.249 350 V C 2.791 178.785 176.094 -0.168 0.000 1.057 350 V CA 1.985 64.210 62.300 -0.125 0.000 1.032 350 V CB -1.056 30.741 31.823 -0.042 0.000 0.645 350 V HN 0.527 nan 8.190 nan 0.000 0.447 351 A N -0.242 122.501 122.820 -0.127 0.000 1.873 351 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 351 A C 2.229 179.683 177.584 -0.218 0.000 1.193 351 A CA 2.246 54.210 52.037 -0.120 0.000 0.629 351 A CB -0.660 18.303 19.000 -0.061 0.000 0.826 351 A HN 0.514 nan 8.150 nan 0.000 0.447 352 L N -0.913 120.107 121.223 -0.338 0.000 2.046 352 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 352 L C 3.125 179.497 176.870 -0.830 0.000 1.077 352 L CA 1.083 55.590 54.840 -0.554 0.000 0.747 352 L CB -0.597 41.067 42.059 -0.658 0.000 0.896 352 L HN 0.459 nan 8.230 nan 0.000 0.432 353 A N 0.385 122.577 122.820 -1.047 0.000 1.883 353 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 353 A C 2.220 179.676 177.584 -0.214 0.000 1.186 353 A CA 1.695 53.289 52.037 -0.737 0.000 0.624 353 A CB -0.706 17.941 19.000 -0.589 0.000 0.822 353 A HN 0.326 nan 8.150 nan 0.000 0.444 354 I N -0.351 120.116 120.570 -0.171 0.000 2.099 354 I HA -0.304 3.866 4.170 -0.000 0.000 0.239 354 I C 2.467 178.553 176.117 -0.051 0.000 1.066 354 I CA 1.474 62.735 61.300 -0.064 0.000 1.324 354 I CB -0.443 37.529 38.000 -0.046 0.000 1.037 354 I HN 0.308 nan 8.210 nan 0.000 0.401 355 L N 0.276 121.447 121.223 -0.087 0.000 2.021 355 L HA -0.313 4.027 4.340 -0.000 0.000 0.215 355 L C 2.258 179.119 176.870 -0.014 0.000 1.074 355 L CA 1.899 56.706 54.840 -0.055 0.000 0.760 355 L CB -0.739 41.275 42.059 -0.076 0.000 0.889 355 L HN 0.336 nan 8.230 nan 0.000 0.433 356 D N -0.371 120.030 120.400 0.001 0.000 2.097 356 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 356 D C 2.143 178.498 176.300 0.093 0.000 0.989 356 D CA 1.920 55.981 54.000 0.102 0.000 0.827 356 D CB 0.048 41.023 40.800 0.291 0.000 0.966 356 D HN 0.372 nan 8.370 nan 0.000 0.456 357 T N -2.336 112.269 114.554 0.085 0.000 2.929 357 T HA -0.081 4.269 4.350 -0.000 0.000 0.271 357 T C 1.781 176.508 174.700 0.046 0.000 1.085 357 T CA 0.695 62.838 62.100 0.072 0.000 1.125 357 T CB -0.233 68.677 68.868 0.071 0.000 0.874 357 T HN 0.014 nan 8.240 nan 0.000 0.494 358 V N 0.792 120.726 119.914 0.033 0.000 3.596 358 V HA 0.488 4.608 4.120 -0.000 0.000 0.289 358 V C 1.626 177.732 176.094 0.020 0.000 1.336 358 V CA 0.538 62.852 62.300 0.022 0.000 1.137 358 V CB -0.464 31.367 31.823 0.014 0.000 0.966 358 V HN 0.872 nan 8.190 nan 0.000 0.428 359 G N 0.434 109.251 108.800 0.028 0.000 2.142 359 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.225 359 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.225 359 G C -0.085 174.828 174.900 0.021 0.000 1.015 359 G CA 0.132 45.248 45.100 0.027 0.000 0.716 359 G HN 0.453 nan 8.290 nan 0.000 0.508 360 V N 1.538 121.464 119.914 0.019 0.000 2.444 360 V HA 0.703 4.823 4.120 -0.000 0.000 0.294 360 V C 0.812 176.915 176.094 0.016 0.000 1.022 360 V CA -0.207 62.099 62.300 0.011 0.000 0.850 360 V CB 1.640 33.461 31.823 -0.004 0.000 0.992 360 V HN 0.947 nan 8.190 nan 0.000 0.426 361 S N 5.287 120.999 115.700 0.020 0.000 2.617 361 S HA 0.415 4.885 4.470 -0.000 0.000 0.269 361 S C -1.744 172.846 174.600 -0.018 0.000 1.292 361 S CA -1.139 57.072 58.200 0.020 0.000 1.010 361 S CB 1.385 64.606 63.200 0.035 0.000 0.944 361 S HN 0.471 nan 8.310 nan 0.000 0.536 362 P HA -0.197 nan 4.420 nan 0.000 0.216 362 P C 1.495 178.782 177.300 -0.022 0.000 1.154 362 P CA 1.503 64.538 63.100 -0.109 0.000 0.865 362 P CB -0.058 31.423 31.700 -0.366 0.000 0.789 363 E N 0.304 120.519 120.200 0.024 0.000 2.051 363 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 363 E C 1.975 178.592 176.600 0.028 0.000 0.991 363 E CA 1.333 57.767 56.400 0.055 0.000 0.799 363 E CB -1.283 28.464 29.700 0.078 0.000 0.748 363 E HN 0.435 nan 8.360 nan 0.000 0.449 364 Q N 0.329 120.141 119.800 0.019 0.000 2.224 364 Q HA 0.010 4.350 4.340 -0.000 0.000 0.203 364 Q C 2.060 178.061 176.000 0.002 0.000 0.970 364 Q CA 1.414 57.223 55.803 0.011 0.000 0.865 364 Q CB -0.083 28.661 28.738 0.010 0.000 0.922 364 Q HN 0.390 nan 8.270 nan 0.000 0.445 365 A N -0.077 122.740 122.820 -0.005 0.000 1.984 365 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 365 A C 2.115 179.694 177.584 -0.009 0.000 1.173 365 A CA 0.323 52.352 52.037 -0.013 0.000 0.673 365 A CB -0.372 18.611 19.000 -0.030 0.000 0.830 365 A HN 0.217 nan 8.150 nan 0.000 0.453 366 V N 0.904 120.814 119.914 -0.005 0.000 2.490 366 V HA -0.116 4.004 4.120 -0.000 0.000 0.250 366 V C -0.619 175.474 176.094 -0.003 0.000 1.061 366 V CA 2.403 64.699 62.300 -0.006 0.000 1.064 366 V CB -0.701 31.121 31.823 -0.002 0.000 0.670 366 V HN 0.374 nan 8.190 nan 0.000 0.461 367 P HA -0.089 nan 4.420 nan 0.000 0.216 367 P C 1.571 178.873 177.300 0.003 0.000 1.150 367 P CA 1.744 64.845 63.100 0.002 0.000 0.837 367 P CB -0.366 31.336 31.700 0.003 0.000 0.786 368 G N -0.956 107.846 108.800 0.003 0.000 2.484 368 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 368 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 368 G C 1.341 176.250 174.900 0.014 0.000 1.130 368 G CA 0.308 45.412 45.100 0.008 0.000 0.784 368 G HN 0.229 nan 8.290 nan 0.000 0.543 369 L N -0.597 120.632 121.223 0.011 0.000 2.202 369 L HA 0.191 4.531 4.340 -0.000 0.000 0.205 369 L C 2.711 179.593 176.870 0.020 0.000 1.083 369 L CA 0.321 55.173 54.840 0.020 0.000 0.790 369 L CB -0.375 41.694 42.059 0.016 0.000 0.942 369 L HN 0.121 nan 8.230 nan 0.000 0.452 370 R N 1.469 121.974 120.500 0.009 0.000 2.154 370 R HA -0.232 4.108 4.340 -0.000 0.000 0.248 370 R C 1.609 177.916 176.300 0.011 0.000 1.155 370 R CA 2.210 58.313 56.100 0.005 0.000 0.979 370 R CB 0.087 30.385 30.300 -0.002 0.000 0.869 370 R HN 0.662 nan 8.270 nan 0.000 0.452 371 E N -1.331 118.877 120.200 0.015 0.000 2.676 371 E HA 0.108 4.458 4.350 -0.000 0.000 0.225 371 E C 0.183 176.796 176.600 0.022 0.000 0.944 371 E CA -0.407 56.003 56.400 0.015 0.000 1.156 371 E CB -0.020 29.687 29.700 0.011 0.000 1.117 371 E HN 0.230 nan 8.360 nan 0.000 0.523 372 I N 3.386 123.975 120.570 0.032 0.000 2.588 372 I HA 0.078 4.247 4.170 -0.000 0.000 0.283 372 I C -0.081 176.053 176.117 0.029 0.000 1.119 372 I CA -0.523 60.805 61.300 0.048 0.000 1.419 372 I CB 0.492 38.542 38.000 0.085 0.000 1.394 372 I HN 0.119 nan 8.210 nan 0.000 0.562 373 R N 7.866 128.376 120.500 0.015 0.000 2.589 373 R HA 0.493 4.833 4.340 -0.000 0.000 0.293 373 R C -1.767 174.471 176.300 -0.103 0.000 0.963 373 R CA -0.622 55.461 56.100 -0.029 0.000 0.905 373 R CB 1.550 31.834 30.300 -0.026 0.000 1.144 373 R HN 0.433 nan 8.270 nan 0.000 0.459 374 V N 2.998 122.796 119.914 -0.193 0.000 2.398 374 V HA 0.492 4.612 4.120 -0.000 0.000 0.286 374 V C -2.523 173.353 176.094 -0.364 0.000 1.026 374 V CA -2.456 59.555 62.300 -0.482 0.000 0.868 374 V CB 1.478 33.011 31.823 -0.482 0.000 0.982 374 V HN 0.713 nan 8.190 nan 0.000 0.443 375 P HA 0.324 nan 4.420 nan 0.000 0.266 375 P C 0.874 178.086 177.300 -0.147 0.000 1.215 375 P CA 1.361 64.329 63.100 -0.219 0.000 0.763 375 P CB 0.837 32.414 31.700 -0.204 0.000 0.806 376 G N 2.866 111.647 108.800 -0.030 0.000 2.168 376 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 376 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 376 G C 0.157 175.099 174.900 0.069 0.000 0.977 376 G CA -0.281 44.851 45.100 0.054 0.000 0.659 376 G HN 0.508 nan 8.290 nan 0.000 0.533 377 R N -0.231 120.271 120.500 0.004 0.000 2.332 377 R HA 0.497 4.837 4.340 -0.000 0.000 0.306 377 R C 0.755 177.082 176.300 0.046 0.000 1.117 377 R CA -1.251 54.881 56.100 0.052 0.000 1.108 377 R CB 0.302 30.609 30.300 0.011 0.000 1.126 377 R HN 0.507 nan 8.270 nan 0.000 0.548 378 L N 0.709 121.979 121.223 0.079 0.000 3.737 378 L HA -0.244 4.096 4.340 -0.000 0.000 0.418 378 L C 0.417 177.303 176.870 0.025 0.000 1.216 378 L CA 1.002 55.877 54.840 0.059 0.000 0.915 378 L CB -1.477 40.611 42.059 0.049 0.000 1.834 378 L HN 0.661 nan 8.230 nan 0.000 0.943 379 E N 1.035 121.249 120.200 0.022 0.000 2.220 379 E HA 0.218 4.567 4.350 -0.000 0.000 0.272 379 E C 0.637 177.249 176.600 0.020 0.000 1.099 379 E CA -0.345 56.058 56.400 0.005 0.000 0.907 379 E CB 0.479 30.176 29.700 -0.004 0.000 1.022 379 E HN 0.527 nan 8.360 nan 0.000 0.428 380 Q N 3.656 123.466 119.800 0.016 0.000 2.306 380 Q HA 0.480 4.820 4.340 -0.000 0.000 0.241 380 Q C -0.467 175.544 176.000 0.019 0.000 0.948 380 Q CA -0.378 55.439 55.803 0.022 0.000 0.886 380 Q CB 1.435 30.186 28.738 0.021 0.000 1.227 380 Q HN 0.534 nan 8.270 nan 0.000 0.457 389 A N 4.571 127.427 122.820 0.061 0.000 2.357 389 A HA 0.882 5.201 4.320 -0.000 0.000 0.295 389 A C -1.568 176.052 177.584 0.060 0.000 1.121 389 A CA -0.269 51.809 52.037 0.068 0.000 0.742 389 A CB 1.263 20.300 19.000 0.062 0.000 1.181 389 A HN 0.451 nan 8.150 nan 0.000 0.454 390 L N 2.113 123.376 121.223 0.068 0.000 2.370 390 L HA 0.668 5.007 4.340 -0.000 0.000 0.266 390 L C -0.462 176.451 176.870 0.072 0.000 1.002 390 L CA -0.697 54.181 54.840 0.064 0.000 0.818 390 L CB 2.355 44.452 42.059 0.064 0.000 1.325 390 L HN 0.417 nan 8.230 nan 0.000 0.418 391 V N 0.812 120.769 119.914 0.071 0.000 2.483 391 V HA 0.568 4.688 4.120 -0.000 0.000 0.295 391 V C -0.986 175.166 176.094 0.096 0.000 1.035 391 V CA -0.421 61.931 62.300 0.086 0.000 0.896 391 V CB 1.811 33.684 31.823 0.082 0.000 0.986 391 V HN 0.748 nan 8.190 nan 0.000 0.447 392 D N 0.846 121.315 120.400 0.114 0.000 2.732 392 D HA 0.344 4.984 4.640 -0.000 0.000 0.229 392 D C 0.003 176.420 176.300 0.196 0.000 1.152 392 D CA -0.527 53.559 54.000 0.144 0.000 0.854 392 D CB 1.657 42.530 40.800 0.121 0.000 1.590 392 D HN 0.436 nan 8.370 nan 0.000 0.468 393 Y N 2.700 123.044 120.300 0.074 0.000 2.421 393 Y HA 0.238 4.788 4.550 -0.000 0.000 0.292 393 Y C 0.749 176.709 175.900 0.100 0.000 1.136 393 Y CA 0.695 58.838 58.100 0.072 0.000 1.255 393 Y CB -0.483 38.044 38.460 0.112 0.000 0.991 393 Y HN 0.465 nan 8.280 nan 0.000 0.552 394 A N 2.918 125.794 122.820 0.094 0.000 2.524 394 A HA 0.058 4.378 4.320 -0.000 0.000 0.271 394 A C -0.103 177.476 177.584 -0.008 0.000 1.097 394 A CA 0.368 52.413 52.037 0.014 0.000 0.791 394 A CB -1.236 17.751 19.000 -0.023 0.000 1.028 394 A HN 0.596 nan 8.150 nan 0.000 0.518 395 H N 0.794 119.690 119.070 -0.290 0.000 2.693 395 H HA 0.794 5.350 4.556 -0.000 0.000 0.348 395 H C -0.357 174.842 175.328 -0.215 0.000 1.222 395 H CA -1.375 54.532 56.048 -0.235 0.000 1.270 395 H CB 0.372 29.982 29.762 -0.252 0.000 1.798 395 H HN 0.641 nan 8.280 nan 0.000 0.592 396 K N -0.970 119.248 120.400 -0.304 0.000 6.650 396 K HA -0.126 4.194 4.320 -0.000 0.000 0.632 396 K C -2.531 173.930 176.600 -0.232 0.000 2.550 396 K CA 0.306 56.400 56.287 -0.321 0.000 1.969 396 K CB -0.850 31.367 32.500 -0.472 0.000 2.515 396 K HN 0.410 nan 8.250 nan 0.000 0.176 397 P HA -0.307 nan 4.420 nan 0.000 0.214 397 P C 1.313 178.529 177.300 -0.141 0.000 1.163 397 P CA 1.834 64.847 63.100 -0.145 0.000 0.889 397 P CB 0.061 31.699 31.700 -0.104 0.000 0.790 398 E N 0.209 120.329 120.200 -0.133 0.000 2.031 398 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 398 E C 1.942 178.460 176.600 -0.136 0.000 0.994 398 E CA 1.806 58.137 56.400 -0.114 0.000 0.800 398 E CB -1.015 28.629 29.700 -0.093 0.000 0.752 398 E HN 0.088 nan 8.360 nan 0.000 0.447 399 A N 1.414 124.137 122.820 -0.161 0.000 1.908 399 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 399 A C 2.300 179.792 177.584 -0.153 0.000 1.181 399 A CA 1.522 53.463 52.037 -0.161 0.000 0.627 399 A CB -0.792 18.116 19.000 -0.154 0.000 0.818 399 A HN 0.363 nan 8.150 nan 0.000 0.445 400 L N -0.135 120.985 121.223 -0.171 0.000 2.046 400 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 400 L C 3.003 179.786 176.870 -0.145 0.000 1.077 400 L CA 2.662 57.390 54.840 -0.186 0.000 0.747 400 L CB -0.736 41.152 42.059 -0.284 0.000 0.896 400 L HN 0.465 nan 8.230 nan 0.000 0.432 401 R N -0.416 120.006 120.500 -0.130 0.000 2.091 401 R HA -0.166 4.174 4.340 -0.000 0.000 0.238 401 R C 2.442 178.694 176.300 -0.079 0.000 1.136 401 R CA 2.059 58.102 56.100 -0.095 0.000 0.959 401 R CB -2.188 28.064 30.300 -0.082 0.000 0.856 401 R HN 0.778 nan 8.270 nan 0.000 0.437 402 S N -0.046 115.591 115.700 -0.105 0.000 2.371 402 S HA -0.082 4.388 4.470 -0.000 0.000 0.224 402 S C 2.218 176.781 174.600 -0.062 0.000 1.029 402 S CA 1.190 59.325 58.200 -0.109 0.000 0.978 402 S CB -0.387 62.689 63.200 -0.207 0.000 0.833 402 S HN 0.281 nan 8.310 nan 0.000 0.466 403 V N 2.564 122.439 119.914 -0.066 0.000 2.255 403 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 403 V C 2.624 178.742 176.094 0.039 0.000 1.051 403 V CA 2.006 64.322 62.300 0.027 0.000 1.018 403 V CB -0.933 30.898 31.823 0.014 0.000 0.641 403 V HN 0.454 nan 8.190 nan 0.000 0.445 404 L N 0.223 121.444 121.223 -0.005 0.000 1.970 404 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 404 L C 2.872 179.756 176.870 0.022 0.000 1.071 404 L CA 2.307 57.149 54.840 0.004 0.000 0.751 404 L CB -1.391 40.653 42.059 -0.025 0.000 0.889 404 L HN 0.580 nan 8.230 nan 0.000 0.432 405 T N -2.808 111.753 114.554 0.012 0.000 2.624 405 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 405 T C 1.158 175.884 174.700 0.044 0.000 1.041 405 T CA 1.471 63.584 62.100 0.022 0.000 1.159 405 T CB -1.379 67.495 68.868 0.010 0.000 0.863 405 T HN 0.541 nan 8.240 nan 0.000 0.434 415 A N 4.174 127.018 122.820 0.039 0.000 2.337 415 A HA 0.920 5.240 4.320 -0.000 0.000 0.329 415 A C -1.241 176.296 177.584 -0.079 0.000 1.146 415 A CA -0.498 51.390 52.037 -0.249 0.000 0.800 415 A CB 1.924 20.531 19.000 -0.655 0.000 1.220 415 A HN 0.391 nan 8.150 nan 0.000 0.472 416 V N 2.320 122.194 119.914 -0.068 0.000 2.569 416 V HA 0.523 4.643 4.120 -0.000 0.000 0.301 416 V C -0.398 175.754 176.094 0.097 0.000 1.044 416 V CA -0.663 61.665 62.300 0.047 0.000 0.874 416 V CB 1.257 33.136 31.823 0.094 0.000 1.002 416 V HN 1.025 nan 8.190 nan 0.000 0.424 417 V N 7.200 127.177 119.914 0.106 0.000 2.398 417 V HA 0.941 5.061 4.120 -0.000 0.000 0.286 417 V C -0.835 175.376 176.094 0.195 0.000 1.026 417 V CA -0.201 62.152 62.300 0.087 0.000 0.868 417 V CB 1.080 32.916 31.823 0.022 0.000 0.982 417 V HN 0.948 nan 8.190 nan 0.000 0.443 418 F N 4.171 124.093 119.950 -0.048 0.000 2.831 418 F HA 1.045 5.572 4.527 -0.000 0.000 0.318 418 F C -0.240 175.524 175.800 -0.061 0.000 1.174 418 F CA -0.106 57.865 58.000 -0.048 0.000 0.918 418 F CB 1.169 40.147 39.000 -0.037 0.000 1.364 418 F HN 0.928 nan 8.300 nan 0.000 0.475 419 G N -0.281 108.510 108.800 -0.015 0.000 2.554 419 G HA2 0.786 4.745 3.960 -0.000 0.000 0.306 419 G HA3 0.786 4.745 3.960 -0.000 0.000 0.306 419 G C -2.281 172.668 174.900 0.081 0.000 1.320 419 G CA -0.414 44.607 45.100 -0.132 0.000 0.800 419 G HN 1.369 nan 8.290 nan 0.000 0.481 420 A N -1.502 121.326 122.820 0.014 0.000 2.387 420 A HA 0.941 5.261 4.320 -0.000 0.000 0.303 420 A C 0.253 177.832 177.584 -0.008 0.000 1.145 420 A CA -0.028 52.030 52.037 0.035 0.000 0.801 420 A CB 1.419 20.446 19.000 0.045 0.000 1.342 420 A HN 1.931 nan 8.150 nan 0.000 0.440 421 G N -0.429 108.370 108.800 -0.003 0.000 2.356 421 G HA2 0.511 4.471 3.960 -0.000 0.000 0.298 421 G HA3 0.511 4.471 3.960 -0.000 0.000 0.298 421 G C 0.323 175.214 174.900 -0.016 0.000 1.145 421 G CA 0.202 45.291 45.100 -0.018 0.000 0.850 421 G HN 1.129 nan 8.290 nan 0.000 0.487 422 G N 0.912 109.698 108.800 -0.024 0.000 2.432 422 G HA2 0.421 4.381 3.960 -0.000 0.000 0.257 422 G HA3 0.421 4.381 3.960 -0.000 0.000 0.257 422 G C 0.071 174.963 174.900 -0.013 0.000 1.238 422 G CA -0.016 45.072 45.100 -0.020 0.000 0.838 422 G HN 0.697 nan 8.290 nan 0.000 0.547 423 D N -0.553 119.842 120.400 -0.009 0.000 3.017 423 D HA -0.112 4.528 4.640 -0.000 0.000 0.220 423 D C 0.442 176.742 176.300 0.000 0.000 1.141 423 D CA 0.908 54.905 54.000 -0.004 0.000 0.848 423 D CB -0.609 40.189 40.800 -0.004 0.000 1.102 423 D HN 0.384 nan 8.370 nan 0.000 0.427 424 R N 0.360 120.860 120.500 0.001 0.000 2.807 424 R HA 0.394 4.734 4.340 -0.000 0.000 0.276 424 R C -0.444 175.858 176.300 0.003 0.000 0.979 424 R CA -0.898 55.205 56.100 0.005 0.000 0.928 424 R CB 0.884 31.189 30.300 0.009 0.000 1.191 424 R HN -0.036 nan 8.270 nan 0.000 0.471 425 D N 2.338 122.741 120.400 0.004 0.000 2.570 425 D HA -0.025 4.615 4.640 -0.000 0.000 0.243 425 D C -1.231 175.067 176.300 -0.003 0.000 1.171 425 D CA -0.553 53.447 54.000 0.000 0.000 0.879 425 D CB 0.846 41.645 40.800 -0.002 0.000 1.143 425 D HN 0.121 nan 8.370 nan 0.000 0.511 426 P HA 0.024 nan 4.420 nan 0.000 0.221 426 P C 1.488 178.785 177.300 -0.004 0.000 1.150 426 P CA 0.571 63.669 63.100 -0.003 0.000 0.800 426 P CB 0.135 31.833 31.700 -0.004 0.000 0.787 427 G N 1.317 110.113 108.800 -0.008 0.000 2.532 427 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.222 427 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.222 427 G C 1.528 176.419 174.900 -0.015 0.000 1.102 427 G CA 1.049 46.143 45.100 -0.011 0.000 0.742 427 G HN 0.386 nan 8.290 nan 0.000 0.577 428 K N 0.472 120.861 120.400 -0.018 0.000 2.155 428 K HA 0.001 4.321 4.320 -0.000 0.000 0.203 428 K C 2.527 179.125 176.600 -0.003 0.000 1.052 428 K CA 0.563 56.835 56.287 -0.026 0.000 0.948 428 K CB -0.207 32.269 32.500 -0.041 0.000 0.728 428 K HN 0.264 nan 8.250 nan 0.000 0.448 429 R N 0.685 121.194 120.500 0.015 0.000 2.070 429 R HA -0.081 4.258 4.340 -0.000 0.000 0.233 429 R C 2.572 178.900 176.300 0.045 0.000 1.137 429 R CA 1.516 57.641 56.100 0.043 0.000 0.945 429 R CB -0.631 29.684 30.300 0.025 0.000 0.845 429 R HN 0.276 nan 8.270 nan 0.000 0.430 430 A N 2.046 124.879 122.820 0.020 0.000 1.849 430 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 430 A C -0.300 177.296 177.584 0.021 0.000 1.202 430 A CA 1.732 53.779 52.037 0.016 0.000 0.629 430 A CB -1.689 17.314 19.000 0.004 0.000 0.834 430 A HN 0.271 nan 8.150 nan 0.000 0.447 431 P HA -0.047 nan 4.420 nan 0.000 0.225 431 P C 1.622 178.920 177.300 -0.005 0.000 1.156 431 P CA 1.232 64.331 63.100 -0.003 0.000 0.787 431 P CB -0.154 31.535 31.700 -0.019 0.000 0.802 432 M N 0.171 119.772 119.600 0.003 0.000 2.108 432 M HA -0.067 4.412 4.480 -0.000 0.000 0.261 432 M C 2.083 178.411 176.300 0.047 0.000 1.066 432 M CA 2.391 57.674 55.300 -0.028 0.000 1.107 432 M CB -0.922 31.677 32.600 -0.002 0.000 1.356 432 M HN -0.061 nan 8.290 nan 0.000 0.406 433 G N -0.603 108.308 108.800 0.185 0.000 2.408 433 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 433 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 433 G C 1.547 176.510 174.900 0.106 0.000 1.150 433 G CA 0.724 45.968 45.100 0.240 0.000 0.776 433 G HN 0.454 nan 8.290 nan 0.000 0.542 434 R N -0.081 120.450 120.500 0.051 0.000 2.083 434 R HA -0.061 4.278 4.340 -0.000 0.000 0.237 434 R C 2.509 178.813 176.300 0.007 0.000 1.137 434 R CA 1.454 57.567 56.100 0.022 0.000 0.951 434 R CB -0.373 29.931 30.300 0.008 0.000 0.851 434 R HN 0.367 nan 8.270 nan 0.000 0.434 435 I N 1.007 121.568 120.570 -0.016 0.000 2.163 435 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 435 I C 2.548 178.643 176.117 -0.036 0.000 1.085 435 I CA 1.697 62.972 61.300 -0.042 0.000 1.347 435 I CB -0.348 37.600 38.000 -0.087 0.000 1.044 435 I HN 0.293 nan 8.210 nan 0.000 0.408 436 A N 0.199 123.002 122.820 -0.027 0.000 1.933 436 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 436 A C 2.501 180.109 177.584 0.040 0.000 1.175 436 A CA 1.805 53.850 52.037 0.014 0.000 0.628 436 A CB -0.956 18.133 19.000 0.148 0.000 0.814 436 A HN 0.428 nan 8.150 nan 0.000 0.444 437 A N 0.406 123.251 122.820 0.042 0.000 1.873 437 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 437 A C 2.227 179.824 177.584 0.022 0.000 1.186 437 A CA 1.681 53.737 52.037 0.032 0.000 0.616 437 A CB -0.626 18.391 19.000 0.028 0.000 0.823 437 A HN 0.745 nan 8.150 nan 0.000 0.442 438 Q N -0.545 119.264 119.800 0.014 0.000 2.172 438 Q HA -0.007 4.333 4.340 -0.000 0.000 0.200 438 Q C 1.831 177.840 176.000 0.015 0.000 0.964 438 Q CA 1.496 57.306 55.803 0.012 0.000 0.855 438 Q CB -0.301 28.440 28.738 0.006 0.000 0.918 438 Q HN 0.620 nan 8.270 nan 0.000 0.444 439 L N 0.285 121.515 121.223 0.011 0.000 2.316 439 L HA 0.315 4.655 4.340 -0.000 0.000 0.207 439 L C 1.405 178.290 176.870 0.025 0.000 1.070 439 L CA 0.145 54.993 54.840 0.013 0.000 0.820 439 L CB -0.026 42.032 42.059 -0.002 0.000 0.992 439 L HN 0.128 nan 8.230 nan 0.000 0.466 440 A N -0.127 122.707 122.820 0.024 0.000 2.280 440 A HA 0.131 4.451 4.320 -0.000 0.000 0.268 440 A C 0.302 177.912 177.584 0.044 0.000 1.111 440 A CA -0.119 51.936 52.037 0.030 0.000 0.814 440 A CB 0.289 19.297 19.000 0.014 0.000 1.093 440 A HN 0.169 nan 8.150 nan 0.000 0.498 441 D N -1.188 119.247 120.400 0.058 0.000 2.470 441 D HA 0.143 4.783 4.640 -0.000 0.000 0.238 441 D C -0.132 176.190 176.300 0.035 0.000 1.054 441 D CA 0.453 54.514 54.000 0.101 0.000 0.896 441 D CB 0.423 41.358 40.800 0.224 0.000 1.118 441 D HN 0.290 nan 8.370 nan 0.000 0.497 442 L N 2.064 123.205 121.223 -0.137 0.000 2.349 442 L HA 0.422 4.762 4.340 -0.000 0.000 0.278 442 L C -1.344 175.384 176.870 -0.236 0.000 0.996 442 L CA -0.620 54.017 54.840 -0.338 0.000 0.825 442 L CB 2.174 43.605 42.059 -1.048 0.000 1.243 442 L HN -0.267 nan 8.230 nan 0.000 0.412 443 V N 6.328 126.161 119.914 -0.136 0.000 2.448 443 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 443 V C -1.110 174.912 176.094 -0.119 0.000 1.025 443 V CA -0.229 62.033 62.300 -0.064 0.000 0.859 443 V CB 2.008 33.860 31.823 0.048 0.000 0.988 443 V HN 0.472 nan 8.190 nan 0.000 0.431 444 V N 7.116 126.951 119.914 -0.131 0.000 2.378 444 V HA 0.457 4.576 4.120 -0.000 0.000 0.288 444 V C -0.037 175.896 176.094 -0.268 0.000 1.016 444 V CA -0.544 61.643 62.300 -0.187 0.000 0.840 444 V CB 1.674 33.406 31.823 -0.152 0.000 0.994 444 V HN 0.764 nan 8.190 nan 0.000 0.431 445 V N 5.498 125.220 119.914 -0.320 0.000 2.432 445 V HA 0.621 4.740 4.120 -0.000 0.000 0.275 445 V C 0.602 176.516 176.094 -0.299 0.000 1.043 445 V CA 0.010 62.047 62.300 -0.437 0.000 0.925 445 V CB 1.296 32.871 31.823 -0.413 0.000 0.985 445 V HN 1.073 nan 8.190 nan 0.000 0.466 446 T N 1.098 115.477 114.554 -0.292 0.000 2.604 446 T HA 0.484 4.834 4.350 -0.000 0.000 0.267 446 T C -1.229 173.359 174.700 -0.187 0.000 0.923 446 T CA -0.920 61.059 62.100 -0.201 0.000 1.077 446 T CB 1.326 70.096 68.868 -0.162 0.000 1.392 446 T HN 0.452 nan 8.240 nan 0.000 0.531 447 D N 1.713 122.012 120.400 -0.169 0.000 2.329 447 D HA 0.545 5.185 4.640 -0.000 0.000 0.232 447 D C -1.142 175.050 176.300 -0.180 0.000 1.088 447 D CA -0.132 53.774 54.000 -0.157 0.000 0.835 447 D CB 1.482 42.198 40.800 -0.140 0.000 1.078 447 D HN 0.444 nan 8.370 nan 0.000 0.495 448 D N 0.955 121.274 120.400 -0.135 0.000 2.163 448 D HA 0.094 4.734 4.640 -0.000 0.000 0.248 448 D C 0.036 176.276 176.300 -0.100 0.000 1.035 448 D CA -0.561 53.365 54.000 -0.124 0.000 0.872 448 D CB 0.803 41.561 40.800 -0.071 0.000 1.183 448 D HN 0.093 nan 8.370 nan 0.000 0.445 449 N N 4.445 123.085 118.700 -0.100 0.000 2.998 449 N HA -0.166 4.574 4.740 -0.000 0.000 0.310 449 N C -1.921 173.555 175.510 -0.056 0.000 1.111 449 N CA -0.048 52.959 53.050 -0.072 0.000 0.815 449 N CB -0.128 38.326 38.487 -0.055 0.000 0.986 449 N HN 0.414 nan 8.380 nan 0.000 0.616 450 P HA -0.090 nan 4.420 nan 0.000 0.223 450 P C 0.573 177.853 177.300 -0.033 0.000 1.151 450 P CA 0.513 63.585 63.100 -0.047 0.000 0.787 450 P CB 0.382 32.051 31.700 -0.052 0.000 0.788 451 R N -0.499 119.983 120.500 -0.030 0.000 3.682 451 R HA -0.256 4.083 4.340 -0.000 0.000 0.519 451 R C 1.334 177.623 176.300 -0.018 0.000 0.241 451 R CA 1.984 58.072 56.100 -0.021 0.000 1.619 451 R CB -2.551 27.740 30.300 -0.016 0.000 0.923 451 R HN 0.101 nan 8.270 nan 0.000 0.598 452 D N 0.727 121.118 120.400 -0.014 0.000 2.224 452 D HA 0.004 4.644 4.640 -0.000 0.000 0.205 452 D C 0.390 176.682 176.300 -0.014 0.000 0.965 452 D CA 1.009 55.002 54.000 -0.012 0.000 0.852 452 D CB -0.058 40.737 40.800 -0.008 0.000 0.947 452 D HN 0.364 nan 8.370 nan 0.000 0.494 453 E N 0.757 120.947 120.200 -0.017 0.000 2.373 453 E HA 0.024 4.374 4.350 -0.000 0.000 0.267 453 E C -0.552 176.034 176.600 -0.024 0.000 1.032 453 E CA -0.446 55.942 56.400 -0.019 0.000 0.889 453 E CB 0.704 30.393 29.700 -0.019 0.000 0.984 453 E HN -0.057 nan 8.360 nan 0.000 0.425 454 D N 4.459 124.845 120.400 -0.023 0.000 2.371 454 D HA 0.036 4.676 4.640 -0.000 0.000 0.256 454 D C -1.768 174.512 176.300 -0.035 0.000 1.193 454 D CA -1.321 52.663 54.000 -0.027 0.000 0.881 454 D CB 1.194 41.980 40.800 -0.023 0.000 1.143 454 D HN 0.201 nan 8.370 nan 0.000 0.473 455 P HA -0.138 nan 4.420 nan 0.000 0.215 455 P C 1.118 178.383 177.300 -0.058 0.000 1.153 455 P CA 1.165 64.233 63.100 -0.053 0.000 0.853 455 P CB 0.123 31.789 31.700 -0.057 0.000 0.788 456 T N -0.631 113.892 114.554 -0.051 0.000 2.788 456 T HA 0.009 4.358 4.350 -0.000 0.000 0.268 456 T C 1.188 175.858 174.700 -0.049 0.000 1.044 456 T CA 1.059 63.128 62.100 -0.053 0.000 1.139 456 T CB -0.771 68.071 68.868 -0.044 0.000 0.867 456 T HN 0.162 nan 8.240 nan 0.000 0.454 473 A N 0.458 123.303 122.820 0.041 0.000 2.250 473 A HA 0.624 4.944 4.320 -0.000 0.000 0.283 473 A C -0.225 177.382 177.584 0.040 0.000 1.206 473 A CA 0.154 52.217 52.037 0.043 0.000 0.840 473 A CB 0.614 19.631 19.000 0.029 0.000 1.220 473 A HN 0.247 nan 8.150 nan 0.000 0.505 474 Q N 0.159 119.975 119.800 0.028 0.000 2.483 474 Q HA 0.450 4.790 4.340 -0.000 0.000 0.245 474 Q C -2.074 173.914 176.000 -0.020 0.000 0.902 474 Q CA -0.331 55.485 55.803 0.023 0.000 0.767 474 Q CB 1.544 30.321 28.738 0.065 0.000 1.341 474 Q HN 0.791 nan 8.270 nan 0.000 0.453 475 V N 4.495 124.394 119.914 -0.025 0.000 2.472 475 V HA 0.736 4.855 4.120 -0.000 0.000 0.290 475 V C -0.882 175.166 176.094 -0.077 0.000 1.037 475 V CA -0.080 62.187 62.300 -0.054 0.000 0.908 475 V CB 1.570 33.370 31.823 -0.039 0.000 0.985 475 V HN 0.528 nan 8.190 nan 0.000 0.454 476 V N 5.052 124.893 119.914 -0.122 0.000 3.001 476 V HA 0.624 4.743 4.120 -0.000 0.000 0.314 476 V C -0.440 175.547 176.094 -0.179 0.000 1.099 476 V CA -0.802 61.403 62.300 -0.158 0.000 0.989 476 V CB 1.910 33.584 31.823 -0.249 0.000 1.040 476 V HN 0.952 nan 8.190 nan 0.000 0.434 477 E N 2.064 122.162 120.200 -0.170 0.000 2.185 477 E HA 0.618 4.968 4.350 -0.000 0.000 0.261 477 E C -1.801 174.699 176.600 -0.166 0.000 0.879 477 E CA -0.524 55.776 56.400 -0.167 0.000 0.756 477 E CB 1.540 31.161 29.700 -0.131 0.000 1.152 477 E HN 0.698 nan 8.360 nan 0.000 0.416 478 I N 4.545 125.011 120.570 -0.173 0.000 2.448 478 I HA 0.263 4.433 4.170 -0.000 0.000 0.281 478 I C 0.909 176.956 176.117 -0.116 0.000 1.027 478 I CA -0.361 60.854 61.300 -0.141 0.000 1.111 478 I CB 1.690 39.595 38.000 -0.158 0.000 1.236 478 I HN 0.684 nan 8.210 nan 0.000 0.452 479 A N 3.892 126.655 122.820 -0.095 0.000 1.865 479 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 479 A C 1.008 178.541 177.584 -0.084 0.000 1.191 479 A CA 1.250 53.233 52.037 -0.091 0.000 0.623 479 A CB -0.442 18.515 19.000 -0.072 0.000 0.826 479 A HN 0.755 nan 8.150 nan 0.000 0.444 480 D N -1.505 118.862 120.400 -0.054 0.000 2.412 480 D HA 0.241 4.881 4.640 -0.000 0.000 0.257 480 D C 1.242 177.526 176.300 -0.026 0.000 1.217 480 D CA 0.019 54.001 54.000 -0.029 0.000 0.897 480 D CB 0.625 41.429 40.800 0.007 0.000 1.132 480 D HN 0.259 nan 8.370 nan 0.000 0.493 481 R N 3.157 123.612 120.500 -0.074 0.000 2.091 481 R HA -0.217 4.122 4.340 -0.000 0.000 0.238 481 R C 1.961 178.343 176.300 0.135 0.000 1.136 481 R CA 1.656 57.693 56.100 -0.106 0.000 0.959 481 R CB 0.001 29.994 30.300 -0.512 0.000 0.856 481 R HN 0.397 nan 8.270 nan 0.000 0.437 482 R N 0.573 121.243 120.500 0.284 0.000 2.081 482 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 482 R C 1.270 177.665 176.300 0.158 0.000 1.131 482 R CA 2.289 58.574 56.100 0.307 0.000 0.960 482 R CB -0.537 29.920 30.300 0.262 0.000 0.856 482 R HN 0.277 nan 8.270 nan 0.000 0.436 483 D N 0.243 120.708 120.400 0.109 0.000 2.224 483 D HA -0.026 4.613 4.640 -0.000 0.000 0.205 483 D C 1.680 178.036 176.300 0.093 0.000 0.965 483 D CA 1.433 55.485 54.000 0.086 0.000 0.852 483 D CB -0.260 40.574 40.800 0.057 0.000 0.947 483 D HN 0.416 nan 8.370 nan 0.000 0.494 484 A N 0.785 123.643 122.820 0.063 0.000 1.877 484 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 484 A C 2.324 179.965 177.584 0.096 0.000 1.186 484 A CA 0.877 52.938 52.037 0.040 0.000 0.620 484 A CB -0.684 18.305 19.000 -0.018 0.000 0.822 484 A HN 0.177 nan 8.150 nan 0.000 0.443 485 I N -0.390 120.248 120.570 0.114 0.000 2.179 485 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 485 I C 3.235 179.423 176.117 0.118 0.000 1.088 485 I CA 1.566 62.940 61.300 0.122 0.000 1.357 485 I CB -0.597 37.492 38.000 0.148 0.000 1.051 485 I HN 0.441 nan 8.210 nan 0.000 0.409 486 R N 0.211 120.781 120.500 0.116 0.000 2.103 486 R HA -0.283 4.057 4.340 -0.000 0.000 0.242 486 R C 2.025 178.397 176.300 0.119 0.000 1.142 486 R CA 2.354 58.515 56.100 0.102 0.000 0.960 486 R CB -2.153 28.200 30.300 0.089 0.000 0.858 486 R HN 0.590 nan 8.270 nan 0.000 0.439 487 H N -0.208 118.894 119.070 0.053 0.000 2.293 487 H HA 0.133 4.689 4.556 -0.000 0.000 0.300 487 H C 2.441 177.824 175.328 0.091 0.000 1.082 487 H CA 2.340 58.422 56.048 0.057 0.000 1.308 487 H CB -0.246 29.525 29.762 0.015 0.000 1.375 487 H HN 0.526 nan 8.280 nan 0.000 0.495 488 A N -0.040 122.882 122.820 0.169 0.000 1.902 488 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 488 A C 2.674 180.392 177.584 0.224 0.000 1.181 488 A CA 1.643 53.750 52.037 0.116 0.000 0.623 488 A CB -0.943 18.084 19.000 0.045 0.000 0.818 488 A HN 0.340 nan 8.150 nan 0.000 0.443 489 V N -0.095 119.913 119.914 0.157 0.000 2.255 489 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 489 V C 3.022 179.192 176.094 0.127 0.000 1.051 489 V CA 2.103 64.487 62.300 0.141 0.000 1.018 489 V CB -1.242 30.637 31.823 0.092 0.000 0.641 489 V HN 0.608 nan 8.190 nan 0.000 0.445 490 A N -1.455 121.414 122.820 0.082 0.000 2.125 490 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 490 A C 1.919 179.534 177.584 0.051 0.000 1.156 490 A CA 1.580 53.640 52.037 0.038 0.000 0.671 490 A CB -0.865 18.134 19.000 -0.001 0.000 0.794 490 A HN 0.838 nan 8.150 nan 0.000 0.459 491 W N 0.584 121.811 121.300 -0.122 0.000 2.658 491 W HA 0.411 5.071 4.660 -0.000 0.000 0.263 491 W C 1.127 177.620 176.519 -0.043 0.000 1.274 491 W CA 0.308 57.589 57.345 -0.107 0.000 1.343 491 W CB -0.100 29.284 29.460 -0.126 0.000 1.106 491 W HN 0.335 nan 8.180 nan 0.000 0.615 492 A N 1.762 124.602 122.820 0.033 0.000 2.387 492 A HA 0.626 4.946 4.320 -0.000 0.000 0.251 492 A C 0.258 177.661 177.584 -0.302 0.000 1.113 492 A CA 0.617 52.546 52.037 -0.180 0.000 0.794 492 A CB -0.218 18.835 19.000 0.088 0.000 1.069 492 A HN 0.491 nan 8.150 nan 0.000 0.506 493 R N 0.003 120.344 120.500 -0.264 0.000 2.651 493 R HA 0.659 4.999 4.340 -0.000 0.000 0.278 493 R C -3.291 172.945 176.300 -0.106 0.000 1.010 493 R CA -1.640 54.345 56.100 -0.191 0.000 0.896 493 R CB -0.218 29.939 30.300 -0.238 0.000 1.211 493 R HN 0.656 nan 8.270 nan 0.000 0.456 494 P HA 0.139 nan 4.420 nan 0.000 0.256 494 P C 0.969 178.248 177.300 -0.035 0.000 1.173 494 P CA 2.344 65.419 63.100 -0.040 0.000 0.768 494 P CB 0.662 32.341 31.700 -0.034 0.000 0.758 495 G N 2.330 111.119 108.800 -0.017 0.000 2.253 495 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.209 495 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.209 495 G C 0.079 174.982 174.900 0.006 0.000 0.997 495 G CA -0.417 44.679 45.100 -0.005 0.000 0.640 495 G HN 0.462 nan 8.290 nan 0.000 0.496 496 D N -0.273 120.124 120.400 -0.005 0.000 2.371 496 D HA 0.502 5.142 4.640 -0.000 0.000 0.242 496 D C 0.291 176.650 176.300 0.097 0.000 1.218 496 D CA 0.458 54.478 54.000 0.034 0.000 0.945 496 D CB 2.028 42.807 40.800 -0.035 0.000 1.137 496 D HN 0.692 nan 8.370 nan 0.000 0.464 497 V N 0.990 121.004 119.914 0.166 0.000 2.482 497 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 497 V C -1.129 175.083 176.094 0.197 0.000 1.026 497 V CA -0.489 61.903 62.300 0.153 0.000 0.856 497 V CB 1.497 33.386 31.823 0.109 0.000 1.001 497 V HN 0.244 nan 8.190 nan 0.000 0.424 498 V N 7.547 127.563 119.914 0.170 0.000 2.472 498 V HA 0.621 4.741 4.120 -0.000 0.000 0.290 498 V C -0.320 175.835 176.094 0.101 0.000 1.037 498 V CA -0.623 61.765 62.300 0.147 0.000 0.908 498 V CB 1.528 33.445 31.823 0.157 0.000 0.985 498 V HN 0.815 nan 8.190 nan 0.000 0.454 499 L N 6.042 127.314 121.223 0.081 0.000 2.406 499 L HA 0.625 4.964 4.340 -0.000 0.000 0.272 499 L C -0.927 175.992 176.870 0.083 0.000 0.980 499 L CA -0.136 54.750 54.840 0.077 0.000 0.831 499 L CB 1.658 43.756 42.059 0.066 0.000 1.253 499 L HN 0.452 nan 8.230 nan 0.000 0.406 500 I N 5.051 125.676 120.570 0.092 0.000 2.328 500 I HA 0.654 4.824 4.170 -0.000 0.000 0.287 500 I C 0.280 176.462 176.117 0.107 0.000 1.012 500 I CA -0.425 60.938 61.300 0.105 0.000 1.195 500 I CB 0.673 38.742 38.000 0.114 0.000 1.350 500 I HN 0.737 nan 8.210 nan 0.000 0.464 501 A N 3.777 126.668 122.820 0.118 0.000 2.356 501 A HA 0.847 5.167 4.320 -0.000 0.000 0.323 501 A C 0.750 178.394 177.584 0.100 0.000 1.119 501 A CA 0.119 52.212 52.037 0.094 0.000 0.790 501 A CB 1.596 20.617 19.000 0.034 0.000 1.273 501 A HN 1.153 nan 8.150 nan 0.000 0.452 502 G N 0.017 108.850 108.800 0.055 0.000 2.201 502 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.212 502 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.212 502 G C 0.680 175.552 174.900 -0.047 0.000 0.994 502 G CA 0.663 45.765 45.100 0.002 0.000 0.644 502 G HN 0.721 nan 8.290 nan 0.000 0.508 503 K N -0.526 119.901 120.400 0.046 0.000 2.443 503 K HA 0.414 4.734 4.320 -0.000 0.000 0.200 503 K C 2.038 178.750 176.600 0.187 0.000 1.278 503 K CA 0.799 57.127 56.287 0.069 0.000 0.925 503 K CB 0.745 33.273 32.500 0.047 0.000 1.225 503 K HN 1.066 nan 8.250 nan 0.000 0.514 504 G N 2.805 111.736 108.800 0.218 0.000 2.634 504 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.318 504 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.318 504 G C 0.721 175.685 174.900 0.107 0.000 1.207 504 G CA 1.093 46.323 45.100 0.217 0.000 0.987 504 G HN 0.578 nan 8.290 nan 0.000 0.547 505 H N 1.724 120.762 119.070 -0.053 0.000 2.535 505 H HA 0.500 5.055 4.556 -0.000 0.000 0.273 505 H C 1.092 176.406 175.328 -0.024 0.000 0.983 505 H CA 1.763 57.772 56.048 -0.065 0.000 1.238 505 H CB -0.894 28.785 29.762 -0.137 0.000 1.412 505 H HN 1.059 nan 8.280 nan 0.000 0.562 506 E N 2.203 122.055 120.200 -0.581 0.000 2.290 506 E HA 0.329 4.679 4.350 -0.000 0.000 0.277 506 E C 0.578 177.108 176.600 -0.117 0.000 1.035 506 E CA -0.028 56.126 56.400 -0.410 0.000 0.873 506 E CB 0.412 29.880 29.700 -0.386 0.000 1.029 506 E HN 0.666 nan 8.360 nan 0.000 0.419 507 T N -0.712 113.810 114.554 -0.054 0.000 2.892 507 T HA 0.807 5.157 4.350 -0.000 0.000 0.280 507 T C 1.056 175.782 174.700 0.044 0.000 1.004 507 T CA 0.019 62.138 62.100 0.031 0.000 0.950 507 T CB 1.035 69.925 68.868 0.037 0.000 1.309 507 T HN 2.155 nan 8.240 nan 0.000 0.592 508 G N -0.068 108.791 108.800 0.098 0.000 2.819 508 G HA2 0.053 4.013 3.960 -0.000 0.000 0.682 508 G HA3 0.053 4.013 3.960 -0.000 0.000 0.682 508 G C -1.069 173.863 174.900 0.054 0.000 1.481 508 G CA -0.666 44.485 45.100 0.084 0.000 0.904 508 G HN 0.842 nan 8.290 nan 0.000 0.563 509 Q N 0.050 119.867 119.800 0.029 0.000 2.275 509 Q HA 0.678 5.018 4.340 -0.000 0.000 0.266 509 Q C 0.693 176.676 176.000 -0.028 0.000 1.002 509 Q CA 0.061 55.836 55.803 -0.047 0.000 0.761 509 Q CB 1.735 30.413 28.738 -0.100 0.000 1.255 509 Q HN 1.246 nan 8.270 nan 0.000 0.446 519 D N 4.868 125.212 120.400 -0.093 0.000 2.473 519 D HA 0.213 4.852 4.640 -0.000 0.000 0.253 519 D C 0.341 176.635 176.300 -0.011 0.000 1.233 519 D CA -0.201 53.810 54.000 0.018 0.000 0.908 519 D CB 1.573 42.354 40.800 -0.032 0.000 1.170 519 D HN 0.553 nan 8.370 nan 0.000 0.558 520 D N 2.389 122.911 120.400 0.202 0.000 2.239 520 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 520 D C 1.717 178.068 176.300 0.085 0.000 0.993 520 D CA 1.132 55.261 54.000 0.216 0.000 0.874 520 D CB 0.376 41.297 40.800 0.202 0.000 0.922 520 D HN 0.461 nan 8.370 nan 0.000 0.464 521 R N -0.590 119.936 120.500 0.043 0.000 2.127 521 R HA 0.035 4.375 4.340 -0.000 0.000 0.217 521 R C 2.286 178.578 176.300 -0.014 0.000 1.074 521 R CA 0.336 56.449 56.100 0.022 0.000 0.991 521 R CB 0.069 30.383 30.300 0.023 0.000 0.895 521 R HN 0.077 nan 8.270 nan 0.000 0.450 522 V N 1.549 121.431 119.914 -0.054 0.000 2.273 522 V HA -0.121 3.998 4.120 -0.000 0.000 0.242 522 V C 0.783 176.812 176.094 -0.107 0.000 1.035 522 V CA 1.272 63.523 62.300 -0.081 0.000 1.013 522 V CB -0.332 31.428 31.823 -0.104 0.000 0.652 522 V HN 0.286 nan 8.190 nan 0.000 0.452 523 E N 0.585 120.670 120.200 -0.191 0.000 2.392 523 E HA 0.263 4.612 4.350 -0.000 0.000 0.264 523 E C 0.468 177.038 176.600 -0.050 0.000 1.024 523 E CA 0.261 56.564 56.400 -0.162 0.000 0.903 523 E CB 1.584 31.106 29.700 -0.298 0.000 0.963 523 E HN 0.223 nan 8.360 nan 0.000 0.432 524 L N 1.285 122.504 121.223 -0.007 0.000 2.121 524 L HA -0.312 4.028 4.340 -0.000 0.000 0.486 524 L C 1.511 178.390 176.870 0.016 0.000 0.777 524 L CA 2.368 57.224 54.840 0.026 0.000 3.338 524 L CB -1.751 40.336 42.059 0.047 0.000 0.608 524 L HN 0.601 nan 8.230 nan 0.000 0.803 525 A N -0.203 122.617 122.820 0.000 0.000 1.898 525 A HA 0.287 4.607 4.320 -0.000 0.000 0.216 525 A C 2.299 179.879 177.584 -0.008 0.000 1.181 525 A CA 3.287 55.322 52.037 -0.002 0.000 0.620 525 A CB -0.942 18.053 19.000 -0.009 0.000 0.819 525 A HN 1.219 nan 8.150 nan 0.000 0.442 526 A N 0.141 122.948 122.820 -0.022 0.000 1.877 526 A HA 0.342 4.662 4.320 -0.000 0.000 0.216 526 A C 1.819 179.399 177.584 -0.007 0.000 1.186 526 A CA 1.413 53.437 52.037 -0.022 0.000 0.620 526 A CB -1.213 17.761 19.000 -0.043 0.000 0.822 526 A HN 1.120 nan 8.150 nan 0.000 0.443 527 A N 0.000 122.821 122.820 0.002 0.000 2.254 527 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 527 A CA 0.000 52.048 52.037 0.018 0.000 0.836 527 A CB 0.000 19.021 19.000 0.036 0.000 0.831 527 A HN 0.000 nan 8.150 nan 0.000 0.486