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 2bzr_1_F DATA FIRST_RESID 21 DATA SEQUENCE DIHTTAGKLA ELHKRREESL HPVGEDAVEK VHAKGKLTAR ERIYALLDED DATA SEQUENCE SFVELDALAK HRSTNFNLGE KRPLGDGVVT GYGTIDGRDV CIFSQDATVF DATA SEQUENCE GGSLGEVYGE KIVKVQELAI KTGRPLIGIN DGAGARIQEG VVSLGLYSRI DATA SEQUENCE FRNNILASGV IPQISLIMGA AAGGHVYSPA LTDFVIMVDQ TSQMFITGPD DATA SEQUENCE VIKTVTGEEV TMEELGGAHT HMAKSGTAHY AASGEQDAFD YVRELLSYLP DATA SEQUENCE PNNSTDAPRY QAAAPTGPIE ENLTDEDLEL DTLIPDSPNQ PYDMHEVITR DATA SEQUENCE LLDDEFLEIQ AGYAQNIVVG FGRIDGRPVG IVANQPTHFA GCLDINASEK DATA SEQUENCE AARFVRTCDC FNIPIVMLVD VPGFLPGTDQ EYNGIIRRGA KLLYAYGEAT DATA SEQUENCE VPKITVITRK AYGGAYCVMG SKDMGCDVNL AWPTAQIAVM GASGAVGFVY DATA SEQUENCE XXXXXXXXXX XXXXXXXRLR LQQEYEDTLV NPYVAAERGY VGAVIPPSHT DATA SEQUENCE RGYIGTALRL LERKXXXXXX KKHGNVPL 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 21 D HA 0.000 nan 4.640 nan 0.000 0.175 21 D C 0.000 176.256 176.300 -0.073 0.000 2.045 21 D CA 0.000 53.968 54.000 -0.053 0.000 0.868 21 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 22 I N 2.080 122.551 120.570 -0.164 0.000 3.680 22 I HA 0.100 4.270 4.170 -0.000 0.000 0.306 22 I C 0.950 176.987 176.117 -0.133 0.000 1.260 22 I CA 0.124 61.336 61.300 -0.146 0.000 1.201 22 I CB -0.304 37.606 38.000 -0.150 0.000 1.009 22 I HN 0.348 nan 8.210 nan 0.000 0.467 23 H N 0.345 119.419 119.070 0.006 0.000 2.549 23 H HA 0.141 4.697 4.556 -0.000 0.000 0.279 23 H C 0.915 176.246 175.328 0.005 0.000 1.018 23 H CA -0.162 55.889 56.048 0.005 0.000 1.175 23 H CB 0.403 30.168 29.762 0.004 0.000 1.485 23 H HN 0.326 nan 8.280 nan 0.000 0.543 24 T N -3.593 111.017 114.554 0.093 0.000 2.932 24 T HA 0.141 4.491 4.350 -0.000 0.000 0.289 24 T C 1.346 176.071 174.700 0.042 0.000 1.039 24 T CA -0.680 61.456 62.100 0.060 0.000 1.024 24 T CB 2.019 70.913 68.868 0.043 0.000 1.090 24 T HN -0.088 nan 8.240 nan 0.000 0.496 25 T N 1.500 116.075 114.554 0.035 0.000 2.720 25 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 25 T C 2.320 177.037 174.700 0.029 0.000 1.037 25 T CA 1.774 63.891 62.100 0.028 0.000 1.144 25 T CB -0.800 68.082 68.868 0.024 0.000 0.864 25 T HN 0.840 nan 8.240 nan 0.000 0.444 26 A N 1.070 123.906 122.820 0.027 0.000 1.969 26 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 26 A C 2.580 180.183 177.584 0.030 0.000 1.169 26 A CA 1.728 53.782 52.037 0.029 0.000 0.635 26 A CB -1.152 17.860 19.000 0.020 0.000 0.810 26 A HN 0.517 nan 8.150 nan 0.000 0.445 27 G N -0.244 108.569 108.800 0.021 0.000 2.394 27 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 27 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 27 G C 1.642 176.550 174.900 0.014 0.000 1.165 27 G CA 0.977 46.083 45.100 0.011 0.000 0.784 27 G HN 0.548 nan 8.290 nan 0.000 0.535 28 K N -0.458 119.952 120.400 0.017 0.000 2.074 28 K HA -0.064 4.256 4.320 -0.000 0.000 0.209 28 K C 2.318 178.930 176.600 0.020 0.000 1.048 28 K CA 1.079 57.375 56.287 0.014 0.000 0.926 28 K CB -0.297 32.213 32.500 0.017 0.000 0.713 28 K HN 0.252 nan 8.250 nan 0.000 0.444 29 L N 0.867 122.114 121.223 0.040 0.000 2.027 29 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 29 L C 2.157 179.122 176.870 0.158 0.000 1.074 29 L CA 1.877 56.762 54.840 0.076 0.000 0.745 29 L CB -0.789 41.334 42.059 0.105 0.000 0.898 29 L HN 0.145 nan 8.230 nan 0.000 0.433 30 A N -0.766 122.132 122.820 0.130 0.000 1.933 30 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 30 A C 2.231 179.877 177.584 0.103 0.000 1.175 30 A CA 1.652 53.769 52.037 0.133 0.000 0.628 30 A CB -0.692 18.342 19.000 0.057 0.000 0.814 30 A HN 0.566 nan 8.150 nan 0.000 0.444 31 E N -0.026 120.204 120.200 0.050 0.000 2.077 31 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 31 E C 1.766 178.371 176.600 0.008 0.000 0.989 31 E CA 1.438 57.852 56.400 0.023 0.000 0.800 31 E CB -0.468 29.233 29.700 0.002 0.000 0.746 31 E HN 0.427 nan 8.360 nan 0.000 0.452 32 L N 0.712 121.922 121.223 -0.021 0.000 2.012 32 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 32 L C 2.196 178.995 176.870 -0.119 0.000 1.073 32 L CA 2.135 56.919 54.840 -0.095 0.000 0.748 32 L CB -0.872 41.088 42.059 -0.166 0.000 0.891 32 L HN 0.312 nan 8.230 nan 0.000 0.431 33 H N 0.208 119.273 119.070 -0.009 0.000 2.387 33 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 33 H C 2.148 177.471 175.328 -0.007 0.000 1.099 33 H CA 1.781 57.824 56.048 -0.008 0.000 1.315 33 H CB 0.022 29.781 29.762 -0.005 0.000 1.380 33 H HN 0.482 nan 8.280 nan 0.000 0.513 34 K N 0.599 121.058 120.400 0.099 0.000 2.097 34 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 34 K C 2.375 178.988 176.600 0.022 0.000 1.050 34 K CA 0.552 56.873 56.287 0.057 0.000 0.938 34 K CB 0.072 32.598 32.500 0.044 0.000 0.718 34 K HN 0.225 nan 8.250 nan 0.000 0.442 35 R N 0.724 121.225 120.500 0.002 0.000 2.075 35 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 35 R C 2.359 178.637 176.300 -0.037 0.000 1.126 35 R CA 0.994 57.081 56.100 -0.020 0.000 0.963 35 R CB -0.155 30.129 30.300 -0.027 0.000 0.858 35 R HN 0.182 nan 8.270 nan 0.000 0.435 36 R N 0.735 121.213 120.500 -0.037 0.000 2.073 36 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 36 R C 2.179 178.449 176.300 -0.050 0.000 1.134 36 R CA 1.380 57.456 56.100 -0.040 0.000 0.952 36 R CB -0.384 29.895 30.300 -0.034 0.000 0.850 36 R HN 0.220 nan 8.270 nan 0.000 0.433 37 E N 1.576 121.759 120.200 -0.029 0.000 2.051 37 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 37 E C 1.873 178.323 176.600 -0.250 0.000 0.991 37 E CA 1.615 57.981 56.400 -0.057 0.000 0.799 37 E CB -0.146 29.573 29.700 0.032 0.000 0.748 37 E HN 0.391 nan 8.360 nan 0.000 0.449 38 E N -0.211 119.885 120.200 -0.174 0.000 2.118 38 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 38 E C 1.875 178.283 176.600 -0.321 0.000 0.992 38 E CA 1.461 57.715 56.400 -0.242 0.000 0.804 38 E CB -0.259 29.414 29.700 -0.044 0.000 0.741 38 E HN 0.374 nan 8.360 nan 0.000 0.458 39 S N 0.211 115.800 115.700 -0.185 0.000 2.469 39 S HA -0.103 4.367 4.470 -0.000 0.000 0.238 39 S C 1.883 176.401 174.600 -0.137 0.000 0.998 39 S CA 0.664 58.792 58.200 -0.120 0.000 0.957 39 S CB -0.416 62.749 63.200 -0.060 0.000 0.764 39 S HN 0.332 nan 8.310 nan 0.000 0.514 40 L N 1.385 122.469 121.223 -0.233 0.000 2.478 40 L HA 0.115 4.455 4.340 -0.000 0.000 0.223 40 L C 0.905 177.710 176.870 -0.108 0.000 1.140 40 L CA 0.657 55.409 54.840 -0.147 0.000 0.842 40 L CB -0.628 41.378 42.059 -0.089 0.000 0.953 40 L HN 0.677 nan 8.230 nan 0.000 0.452 41 H N -2.807 116.271 119.070 0.012 0.000 2.696 41 H HA 0.227 4.783 4.556 0.000 0.000 0.221 41 H C -2.558 172.760 175.328 -0.017 0.000 1.399 41 H CA -1.411 54.633 56.048 -0.007 0.000 1.408 41 H CB 0.296 30.056 29.762 -0.003 0.000 1.853 41 H HN -0.042 nan 8.280 nan 0.000 0.546 42 P HA -0.102 nan 4.420 nan 0.000 0.223 42 P C 1.182 178.488 177.300 0.010 0.000 1.151 42 P CA 0.836 63.938 63.100 0.003 0.000 0.787 42 P CB 0.301 31.987 31.700 -0.023 0.000 0.788 43 V N -4.440 115.477 119.914 0.004 0.000 3.043 43 V HA 0.711 4.831 4.120 -0.000 0.000 0.357 43 V C 0.417 176.510 176.094 -0.002 0.000 1.372 43 V CA -0.226 62.056 62.300 -0.030 0.000 1.214 43 V CB -0.374 31.389 31.823 -0.100 0.000 1.224 43 V HN 0.279 nan 8.190 nan 0.000 0.507 44 G N 0.473 109.304 108.800 0.051 0.000 2.650 44 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 44 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 44 G C -0.129 174.738 174.900 -0.056 0.000 1.205 44 G CA -0.004 45.095 45.100 -0.003 0.000 0.781 44 G HN 0.350 nan 8.290 nan 0.000 0.648 45 E N -0.236 119.842 120.200 -0.203 0.000 2.204 45 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 45 E C 1.818 178.357 176.600 -0.100 0.000 0.990 45 E CA 1.275 57.548 56.400 -0.211 0.000 0.821 45 E CB 0.060 29.579 29.700 -0.302 0.000 0.750 45 E HN 0.589 nan 8.360 nan 0.000 0.477 46 D N 0.397 120.750 120.400 -0.078 0.000 2.144 46 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 46 D C 1.947 178.214 176.300 -0.054 0.000 0.978 46 D CA 1.037 55.004 54.000 -0.054 0.000 0.833 46 D CB -0.007 40.769 40.800 -0.041 0.000 0.961 46 D HN 0.173 nan 8.370 nan 0.000 0.470 47 A N 1.077 123.865 122.820 -0.053 0.000 1.940 47 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 47 A C 2.554 180.085 177.584 -0.089 0.000 1.176 47 A CA 1.143 53.146 52.037 -0.056 0.000 0.631 47 A CB -0.666 18.307 19.000 -0.045 0.000 0.814 47 A HN 0.128 nan 8.150 nan 0.000 0.446 48 V N -0.452 119.401 119.914 -0.102 0.000 2.323 48 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 48 V C 2.374 178.276 176.094 -0.319 0.000 1.041 48 V CA 2.092 64.271 62.300 -0.202 0.000 1.025 48 V CB -0.808 30.953 31.823 -0.103 0.000 0.656 48 V HN 0.628 nan 8.190 nan 0.000 0.451 49 E N 0.148 120.262 120.200 -0.143 0.000 2.070 49 E HA -0.314 4.036 4.350 -0.000 0.000 0.197 49 E C 2.285 178.848 176.600 -0.061 0.000 1.004 49 E CA 1.827 58.189 56.400 -0.063 0.000 0.805 49 E CB -0.161 29.528 29.700 -0.018 0.000 0.744 49 E HN 0.507 nan 8.360 nan 0.000 0.451 50 K N 0.354 120.713 120.400 -0.067 0.000 2.063 50 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 50 K C 1.996 178.567 176.600 -0.048 0.000 1.048 50 K CA 1.214 57.476 56.287 -0.042 0.000 0.928 50 K CB 0.005 32.484 32.500 -0.036 0.000 0.713 50 K HN -0.024 nan 8.250 nan 0.000 0.442 51 V N 1.122 120.969 119.914 -0.113 0.000 2.287 51 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 51 V C 2.208 178.285 176.094 -0.028 0.000 1.053 51 V CA 1.943 64.180 62.300 -0.106 0.000 1.027 51 V CB -0.658 31.056 31.823 -0.182 0.000 0.646 51 V HN 0.446 nan 8.190 nan 0.000 0.447 52 H N 0.040 119.123 119.070 0.021 0.000 2.462 52 H HA 0.094 4.650 4.556 -0.000 0.000 0.292 52 H C 2.305 177.644 175.328 0.018 0.000 1.049 52 H CA 1.224 57.285 56.048 0.022 0.000 1.334 52 H CB -0.601 29.176 29.762 0.024 0.000 1.404 52 H HN 0.460 nan 8.280 nan 0.000 0.544 53 A N 1.684 124.572 122.820 0.113 0.000 1.877 53 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 53 A C 2.122 179.737 177.584 0.052 0.000 1.186 53 A CA 1.370 53.447 52.037 0.067 0.000 0.620 53 A CB -0.284 18.739 19.000 0.038 0.000 0.822 53 A HN 0.324 nan 8.150 nan 0.000 0.443 54 K N -0.945 119.482 120.400 0.045 0.000 2.574 54 K HA 0.111 4.431 4.320 -0.000 0.000 0.193 54 K C 1.031 177.659 176.600 0.048 0.000 1.035 54 K CA 0.467 56.777 56.287 0.038 0.000 0.982 54 K CB -0.358 32.159 32.500 0.029 0.000 0.795 54 K HN 0.735 nan 8.250 nan 0.000 0.491 55 G N 2.094 110.936 108.800 0.070 0.000 2.160 55 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 55 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 55 G C -0.229 174.718 174.900 0.078 0.000 1.008 55 G CA 0.300 45.441 45.100 0.069 0.000 0.724 55 G HN 0.297 nan 8.290 nan 0.000 0.514 56 K N -0.765 119.696 120.400 0.101 0.000 2.132 56 K HA 0.750 5.070 4.320 -0.000 0.000 0.241 56 K C 0.613 177.322 176.600 0.182 0.000 1.000 56 K CA -0.761 55.588 56.287 0.104 0.000 0.911 56 K CB 1.173 33.714 32.500 0.068 0.000 1.093 56 K HN 0.158 nan 8.250 nan 0.000 0.460 57 L N 0.831 122.148 121.223 0.157 0.000 2.344 57 L HA 0.302 4.642 4.340 -0.000 0.000 0.272 57 L C 0.837 177.782 176.870 0.125 0.000 1.035 57 L CA -0.846 54.109 54.840 0.192 0.000 0.807 57 L CB 1.497 43.664 42.059 0.180 0.000 1.237 57 L HN 0.799 nan 8.230 nan 0.000 0.442 58 T N -1.495 113.128 114.554 0.115 0.000 2.766 58 T HA 0.281 4.631 4.350 -0.000 0.000 0.295 58 T C 1.215 175.899 174.700 -0.027 0.000 1.024 58 T CA -0.056 62.055 62.100 0.018 0.000 1.018 58 T CB 1.242 70.111 68.868 0.002 0.000 1.002 58 T HN 0.659 nan 8.240 nan 0.000 0.532 59 A N 0.927 123.716 122.820 -0.053 0.000 1.892 59 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 59 A C 2.495 179.951 177.584 -0.214 0.000 1.188 59 A CA 2.090 54.076 52.037 -0.084 0.000 0.631 59 A CB -0.979 17.983 19.000 -0.064 0.000 0.822 59 A HN 0.984 nan 8.150 nan 0.000 0.447 60 R N -0.112 120.216 120.500 -0.288 0.000 2.075 60 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 60 R C 1.906 177.686 176.300 -0.865 0.000 1.126 60 R CA 1.788 57.527 56.100 -0.602 0.000 0.963 60 R CB -0.354 29.706 30.300 -0.400 0.000 0.858 60 R HN 0.645 nan 8.270 nan 0.000 0.435 61 E N -0.121 119.834 120.200 -0.409 0.000 2.204 61 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 61 E C 2.151 178.626 176.600 -0.209 0.000 0.990 61 E CA 0.999 57.269 56.400 -0.217 0.000 0.821 61 E CB 0.068 29.795 29.700 0.044 0.000 0.750 61 E HN 0.379 nan 8.360 nan 0.000 0.477 62 R N 0.289 120.665 120.500 -0.207 0.000 2.092 62 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 62 R C 2.313 178.276 176.300 -0.562 0.000 1.119 62 R CA 0.916 56.886 56.100 -0.216 0.000 0.970 62 R CB -0.183 30.154 30.300 0.061 0.000 0.864 62 R HN 0.179 nan 8.270 nan 0.000 0.440 63 I N -0.178 120.072 120.570 -0.533 0.000 2.179 63 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 63 I C 1.817 177.662 176.117 -0.453 0.000 1.088 63 I CA 1.560 62.502 61.300 -0.596 0.000 1.357 63 I CB -0.281 37.187 38.000 -0.886 0.000 1.051 63 I HN 0.224 nan 8.210 nan 0.000 0.409 64 Y N 0.396 120.463 120.300 -0.388 0.000 2.224 64 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 64 Y C 2.708 178.453 175.900 -0.257 0.000 1.146 64 Y CA 0.362 58.305 58.100 -0.261 0.000 1.182 64 Y CB -0.418 37.944 38.460 -0.163 0.000 0.983 64 Y HN 0.157 nan 8.280 nan 0.000 0.524 65 A N 0.127 122.828 122.820 -0.198 0.000 1.933 65 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 65 A C 2.103 179.443 177.584 -0.408 0.000 1.175 65 A CA 1.562 53.434 52.037 -0.276 0.000 0.628 65 A CB -0.807 18.023 19.000 -0.284 0.000 0.814 65 A HN 0.437 nan 8.150 nan 0.000 0.444 66 L N -0.286 120.533 121.223 -0.674 0.000 2.049 66 L HA 0.200 4.540 4.340 -0.000 0.000 0.203 66 L C 0.910 177.661 176.870 -0.198 0.000 1.074 66 L CA 1.030 55.584 54.840 -0.477 0.000 0.749 66 L CB -0.456 41.288 42.059 -0.525 0.000 0.907 66 L HN 0.326 nan 8.230 nan 0.000 0.439 67 L N 0.844 121.969 121.223 -0.164 0.000 2.452 67 L HA 0.083 4.423 4.340 -0.000 0.000 0.267 67 L C -0.045 176.808 176.870 -0.029 0.000 1.188 67 L CA -0.665 54.142 54.840 -0.055 0.000 0.821 67 L CB -0.202 41.861 42.059 0.007 0.000 1.102 67 L HN 0.144 nan 8.230 nan 0.000 0.470 68 D N 1.397 121.794 120.400 -0.005 0.000 2.506 68 D HA -0.043 4.597 4.640 -0.000 0.000 0.234 68 D C 0.293 176.593 176.300 0.001 0.000 1.143 68 D CA 0.285 54.283 54.000 -0.003 0.000 0.871 68 D CB 0.459 41.262 40.800 0.005 0.000 1.190 68 D HN 0.431 nan 8.370 nan 0.000 0.459 69 E N 1.209 121.401 120.200 -0.013 0.000 2.529 69 E HA -0.140 4.210 4.350 -0.000 0.000 0.259 69 E C -0.141 176.443 176.600 -0.027 0.000 0.966 69 E CA 0.070 56.453 56.400 -0.028 0.000 0.937 69 E CB 0.252 29.932 29.700 -0.034 0.000 0.923 69 E HN 0.296 nan 8.360 nan 0.000 0.468 70 D N 1.942 122.313 120.400 -0.049 0.000 3.059 70 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 70 D C 0.683 176.978 176.300 -0.008 0.000 1.169 70 D CA 1.355 55.328 54.000 -0.046 0.000 0.902 70 D CB -1.559 39.213 40.800 -0.046 0.000 1.116 70 D HN 0.470 nan 8.370 nan 0.000 0.417 71 S N -1.118 114.601 115.700 0.032 0.000 2.524 71 S HA 0.082 4.552 4.470 -0.000 0.000 0.216 71 S C 0.487 175.124 174.600 0.062 0.000 0.987 71 S CA -0.523 57.703 58.200 0.044 0.000 0.909 71 S CB 0.150 63.385 63.200 0.058 0.000 0.781 71 S HN 0.226 nan 8.310 nan 0.000 0.521 72 F N 3.149 123.064 119.950 -0.058 0.000 2.467 72 F HA 0.545 5.072 4.527 0.000 0.000 0.362 72 F C -0.578 175.122 175.800 -0.167 0.000 1.090 72 F CA -1.074 56.883 58.000 -0.072 0.000 1.202 72 F CB 1.006 40.048 39.000 0.070 0.000 1.113 72 F HN -0.104 nan 8.300 nan 0.000 0.541 73 V N 6.696 125.954 119.914 -1.094 0.000 2.350 73 V HA 0.202 4.322 4.120 -0.000 0.000 0.285 73 V C -0.153 175.091 176.094 -1.417 0.000 1.014 73 V CA -0.960 60.673 62.300 -1.111 0.000 0.831 73 V CB 1.250 32.357 31.823 -1.193 0.000 1.000 73 V HN 0.740 nan 8.190 nan 0.000 0.433 74 E N 4.365 123.914 120.200 -1.085 0.000 2.338 74 E HA 0.450 4.800 4.350 -0.000 0.000 0.272 74 E C -1.075 175.347 176.600 -0.297 0.000 1.029 74 E CA -0.326 55.681 56.400 -0.655 0.000 0.872 74 E CB 0.862 30.455 29.700 -0.177 0.000 1.015 74 E HN 0.558 nan 8.360 nan 0.000 0.417 75 L N 3.650 124.793 121.223 -0.134 0.000 2.331 75 L HA 0.266 4.606 4.340 -0.000 0.000 0.275 75 L C -0.169 176.703 176.870 0.004 0.000 1.022 75 L CA -0.788 54.034 54.840 -0.029 0.000 0.812 75 L CB 1.383 43.465 42.059 0.039 0.000 1.257 75 L HN 0.675 nan 8.230 nan 0.000 0.435 76 D N 1.229 121.631 120.400 0.003 0.000 2.772 76 D HA -0.230 4.410 4.640 -0.000 0.000 0.233 76 D C 1.182 177.487 176.300 0.009 0.000 1.143 76 D CA 1.032 55.038 54.000 0.010 0.000 0.700 76 D CB -0.718 40.093 40.800 0.020 0.000 1.076 76 D HN 0.757 nan 8.370 nan 0.000 0.430 77 A N -0.379 122.440 122.820 -0.000 0.000 1.978 77 A HA -0.074 4.246 4.320 -0.000 0.000 0.220 77 A C 2.127 179.711 177.584 -0.001 0.000 1.170 77 A CA 1.097 53.137 52.037 0.005 0.000 0.636 77 A CB -0.112 18.885 19.000 -0.004 0.000 0.810 77 A HN 0.456 nan 8.150 nan 0.000 0.448 78 L N -0.874 120.345 121.223 -0.006 0.000 2.728 78 L HA 0.326 4.666 4.340 -0.000 0.000 0.238 78 L C 1.038 177.909 176.870 0.000 0.000 1.143 78 L CA -0.248 54.587 54.840 -0.009 0.000 0.937 78 L CB -0.364 41.684 42.059 -0.019 0.000 1.225 78 L HN 0.318 nan 8.230 nan 0.000 0.507 79 A N 1.235 124.061 122.820 0.011 0.000 2.520 79 A HA 0.303 4.623 4.320 -0.000 0.000 0.235 79 A C 0.155 177.759 177.584 0.032 0.000 1.065 79 A CA 0.609 52.660 52.037 0.022 0.000 0.764 79 A CB 0.250 19.270 19.000 0.034 0.000 1.002 79 A HN 0.322 nan 8.150 nan 0.000 0.502 80 K N 0.608 121.024 120.400 0.027 0.000 2.477 80 K HA 0.325 4.645 4.320 -0.000 0.000 0.255 80 K C -0.412 176.209 176.600 0.035 0.000 0.952 80 K CA -0.791 55.507 56.287 0.018 0.000 0.826 80 K CB 1.644 34.112 32.500 -0.053 0.000 1.331 80 K HN 0.999 nan 8.250 nan 0.000 0.437 81 H N 1.277 120.399 119.070 0.087 0.000 2.757 81 H HA 0.129 4.685 4.556 -0.000 0.000 0.370 81 H C -0.352 174.994 175.328 0.030 0.000 1.172 81 H CA 0.003 56.084 56.048 0.055 0.000 1.426 81 H CB 0.920 30.711 29.762 0.048 0.000 1.438 81 H HN 0.669 nan 8.280 nan 0.000 0.612 82 R N 2.059 122.665 120.500 0.176 0.000 2.700 82 R HA 0.252 4.592 4.340 -0.000 0.000 0.399 82 R C -0.515 175.876 176.300 0.152 0.000 1.115 82 R CA -0.560 55.598 56.100 0.096 0.000 1.058 82 R CB 0.163 30.488 30.300 0.040 0.000 1.389 82 R HN 0.326 nan 8.270 nan 0.000 0.582 83 S N 1.050 116.954 115.700 0.340 0.000 2.525 83 S HA 0.198 4.668 4.470 -0.000 0.000 0.278 83 S C 0.779 175.470 174.600 0.151 0.000 1.234 83 S CA -0.293 57.991 58.200 0.140 0.000 1.058 83 S CB 1.276 64.451 63.200 -0.040 0.000 0.983 83 S HN 0.452 nan 8.310 nan 0.000 0.495 84 T N 0.954 115.537 114.554 0.048 0.000 3.182 84 T HA 0.310 4.660 4.350 -0.000 0.000 0.277 84 T C 0.053 174.735 174.700 -0.030 0.000 1.013 84 T CA -0.528 61.590 62.100 0.031 0.000 0.900 84 T CB -0.816 68.057 68.868 0.008 0.000 1.098 84 T HN 0.591 nan 8.240 nan 0.000 0.543 85 N N 1.688 120.355 118.700 -0.056 0.000 2.492 85 N HA 0.399 5.139 4.740 -0.000 0.000 0.262 85 N C -0.286 175.210 175.510 -0.024 0.000 1.202 85 N CA -0.527 52.427 53.050 -0.160 0.000 0.926 85 N CB 0.237 38.654 38.487 -0.115 0.000 1.078 85 N HN 0.123 nan 8.380 nan 0.000 0.454 86 F N 0.495 120.423 119.950 -0.036 0.000 2.756 86 F HA -0.437 4.090 4.527 -0.000 0.000 0.240 86 F C 1.108 176.901 175.800 -0.012 0.000 1.487 86 F CA 0.853 58.836 58.000 -0.028 0.000 1.859 86 F CB -0.709 38.265 39.000 -0.043 0.000 1.319 86 F HN 0.571 nan 8.300 nan 0.000 0.230 87 N N 0.915 119.744 118.700 0.216 0.000 2.467 87 N HA 0.343 5.083 4.740 -0.000 0.000 0.278 87 N C 1.058 176.642 175.510 0.123 0.000 1.306 87 N CA 0.001 53.128 53.050 0.129 0.000 0.905 87 N CB 0.407 38.959 38.487 0.108 0.000 1.236 87 N HN 0.353 nan 8.380 nan 0.000 0.509 88 L N -0.004 121.284 121.223 0.108 0.000 2.083 88 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 88 L C 2.422 179.473 176.870 0.301 0.000 1.083 88 L CA 1.303 56.195 54.840 0.087 0.000 0.752 88 L CB -0.458 41.525 42.059 -0.127 0.000 0.899 88 L HN 0.263 nan 8.230 nan 0.000 0.433 89 G N -0.415 108.527 108.800 0.236 0.000 2.499 89 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.221 89 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.221 89 G C 1.373 176.350 174.900 0.130 0.000 1.109 89 G CA 0.663 45.871 45.100 0.179 0.000 0.749 89 G HN 0.462 nan 8.290 nan 0.000 0.568 90 E N -0.230 120.058 120.200 0.145 0.000 2.371 90 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 90 E C 0.266 176.949 176.600 0.138 0.000 1.012 90 E CA 0.451 56.920 56.400 0.114 0.000 0.860 90 E CB 0.168 29.926 29.700 0.098 0.000 0.811 90 E HN 0.353 nan 8.360 nan 0.000 0.502 91 K N 1.273 121.813 120.400 0.233 0.000 2.572 91 K HA 0.386 4.706 4.320 -0.000 0.000 0.244 91 K C -0.576 176.251 176.600 0.379 0.000 0.965 91 K CA -0.308 56.135 56.287 0.261 0.000 0.943 91 K CB 1.700 34.380 32.500 0.301 0.000 1.154 91 K HN -0.141 nan 8.250 nan 0.000 0.447 92 R N 2.660 123.251 120.500 0.151 0.000 2.860 92 R HA 0.236 4.576 4.340 -0.000 0.000 0.282 92 R C -2.627 173.708 176.300 0.059 0.000 1.408 92 R CA -1.789 54.332 56.100 0.035 0.000 1.636 92 R CB 0.536 30.707 30.300 -0.215 0.000 1.187 92 R HN 0.340 nan 8.270 nan 0.000 0.611 93 P HA -0.003 nan 4.420 nan 0.000 0.267 93 P C 0.030 177.357 177.300 0.046 0.000 1.205 93 P CA -0.058 63.059 63.100 0.028 0.000 0.765 93 P CB 0.650 32.316 31.700 -0.056 0.000 0.828 94 L N 2.731 123.963 121.223 0.014 0.000 2.513 94 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 94 L C 1.740 178.619 176.870 0.015 0.000 1.187 94 L CA 1.099 55.943 54.840 0.008 0.000 0.895 94 L CB -0.619 41.431 42.059 -0.015 0.000 1.147 94 L HN 0.841 nan 8.230 nan 0.000 0.483 95 G N 1.991 110.807 108.800 0.027 0.000 2.234 95 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.235 95 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.235 95 G C 0.491 175.424 174.900 0.055 0.000 0.997 95 G CA 0.258 45.373 45.100 0.027 0.000 0.623 95 G HN 0.819 nan 8.290 nan 0.000 0.514 96 D N -1.226 119.240 120.400 0.110 0.000 2.882 96 D HA 0.113 4.753 4.640 -0.000 0.000 0.229 96 D C 1.867 178.330 176.300 0.273 0.000 1.167 96 D CA 3.284 57.417 54.000 0.221 0.000 0.759 96 D CB -1.277 39.670 40.800 0.244 0.000 1.088 96 D HN 2.231 nan 8.370 nan 0.000 0.425 97 G N -2.647 106.243 108.800 0.148 0.000 2.157 97 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.239 97 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.239 97 G C 0.171 175.023 174.900 -0.079 0.000 0.982 97 G CA 0.328 45.517 45.100 0.148 0.000 0.650 97 G HN 1.260 nan 8.290 nan 0.000 0.527 98 V N -0.058 119.726 119.914 -0.217 0.000 2.932 98 V HA 0.691 4.811 4.120 -0.000 0.000 0.307 98 V C -0.715 175.302 176.094 -0.129 0.000 1.147 98 V CA -0.577 61.525 62.300 -0.331 0.000 0.951 98 V CB 2.382 33.706 31.823 -0.831 0.000 1.031 98 V HN 0.602 nan 8.190 nan 0.000 0.426 99 V N 5.530 125.409 119.914 -0.059 0.000 2.370 99 V HA 0.747 4.867 4.120 -0.000 0.000 0.283 99 V C 0.219 176.377 176.094 0.106 0.000 1.023 99 V CA 0.016 62.325 62.300 0.015 0.000 0.857 99 V CB 1.635 33.426 31.823 -0.054 0.000 0.985 99 V HN 1.067 nan 8.190 nan 0.000 0.443 100 T N 1.310 115.976 114.554 0.187 0.000 2.906 100 T HA 0.985 5.335 4.350 -0.000 0.000 0.295 100 T C -0.042 174.840 174.700 0.304 0.000 1.075 100 T CA -0.057 62.191 62.100 0.246 0.000 1.005 100 T CB 2.354 71.314 68.868 0.153 0.000 1.136 100 T HN 1.332 nan 8.240 nan 0.000 0.498 101 G N 0.423 109.408 108.800 0.307 0.000 2.404 101 G HA2 0.472 4.432 3.960 -0.000 0.000 0.253 101 G HA3 0.472 4.432 3.960 -0.000 0.000 0.253 101 G C -2.024 173.032 174.900 0.261 0.000 1.253 101 G CA -0.290 44.870 45.100 0.101 0.000 0.917 101 G HN 1.488 nan 8.290 nan 0.000 0.480 102 Y N -1.498 118.796 120.300 -0.009 0.000 2.615 102 Y HA 0.903 5.453 4.550 0.000 0.000 0.341 102 Y C 0.319 176.277 175.900 0.098 0.000 1.089 102 Y CA -0.443 57.699 58.100 0.070 0.000 1.049 102 Y CB 1.499 39.965 38.460 0.011 0.000 1.296 102 Y HN 1.734 nan 8.280 nan 0.000 0.470 103 G N 0.027 108.998 108.800 0.286 0.000 2.510 103 G HA2 0.540 4.500 3.960 -0.000 0.000 0.277 103 G HA3 0.540 4.500 3.960 -0.000 0.000 0.277 103 G C -1.428 173.566 174.900 0.157 0.000 1.223 103 G CA -0.380 44.837 45.100 0.194 0.000 0.887 103 G HN 1.249 nan 8.290 nan 0.000 0.485 104 T N -1.882 112.733 114.554 0.102 0.000 2.903 104 T HA 0.753 5.103 4.350 -0.000 0.000 0.299 104 T C -1.024 173.696 174.700 0.032 0.000 1.093 104 T CA -0.589 61.548 62.100 0.062 0.000 1.002 104 T CB 1.909 70.805 68.868 0.046 0.000 1.127 104 T HN 0.588 nan 8.240 nan 0.000 0.488 105 I N 2.026 122.603 120.570 0.012 0.000 2.418 105 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 105 I C -0.508 175.599 176.117 -0.015 0.000 1.008 105 I CA -0.685 60.610 61.300 -0.008 0.000 1.104 105 I CB 1.559 39.547 38.000 -0.020 0.000 1.264 105 I HN 0.770 nan 8.210 nan 0.000 0.438 106 D N 5.629 126.019 120.400 -0.016 0.000 2.686 106 D HA -0.212 4.428 4.640 -0.000 0.000 0.235 106 D C 1.153 177.445 176.300 -0.014 0.000 1.160 106 D CA 1.617 55.606 54.000 -0.019 0.000 0.645 106 D CB -0.743 40.040 40.800 -0.028 0.000 1.039 106 D HN 1.167 nan 8.370 nan 0.000 0.423 107 G N -0.506 108.291 108.800 -0.005 0.000 2.199 107 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.254 107 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.254 107 G C 0.385 175.288 174.900 0.004 0.000 0.982 107 G CA 0.409 45.509 45.100 -0.000 0.000 0.632 107 G HN 0.507 nan 8.290 nan 0.000 0.529 108 R N 0.944 121.444 120.500 -0.000 0.000 2.346 108 R HA 0.426 4.766 4.340 -0.000 0.000 0.311 108 R C -0.837 175.471 176.300 0.014 0.000 0.983 108 R CA -0.920 55.180 56.100 0.000 0.000 0.880 108 R CB 0.824 31.114 30.300 -0.016 0.000 1.100 108 R HN 0.132 nan 8.270 nan 0.000 0.453 109 D N 1.456 121.870 120.400 0.023 0.000 2.443 109 D HA 0.159 4.799 4.640 -0.000 0.000 0.239 109 D C -0.461 175.863 176.300 0.041 0.000 1.136 109 D CA 0.447 54.475 54.000 0.047 0.000 0.879 109 D CB 1.159 41.980 40.800 0.035 0.000 1.195 109 D HN 0.010 nan 8.370 nan 0.000 0.443 110 V N 1.830 121.790 119.914 0.076 0.000 2.891 110 V HA 0.189 4.309 4.120 -0.000 0.000 0.304 110 V C -0.480 175.692 176.094 0.130 0.000 1.171 110 V CA -0.777 61.564 62.300 0.070 0.000 0.943 110 V CB 2.157 34.007 31.823 0.045 0.000 1.037 110 V HN 0.744 nan 8.190 nan 0.000 0.427 111 C N 4.955 124.325 119.300 0.118 0.000 2.358 111 C HA 0.831 5.291 4.460 -0.000 0.000 0.354 111 C C -0.030 175.043 174.990 0.139 0.000 1.183 111 C CA -0.644 58.476 59.018 0.170 0.000 2.150 111 C CB 0.985 28.817 27.740 0.153 0.000 2.361 111 C HN 0.813 nan 8.230 nan 0.000 0.535 112 I N 1.635 122.316 120.570 0.184 0.000 2.775 112 I HA 0.631 4.801 4.170 -0.000 0.000 0.295 112 I C -1.395 174.837 176.117 0.191 0.000 1.287 112 I CA -0.510 60.848 61.300 0.096 0.000 1.029 112 I CB 1.366 39.394 38.000 0.046 0.000 1.282 112 I HN 0.798 nan 8.210 nan 0.000 0.426 113 F N 4.154 124.134 119.950 0.051 0.000 2.588 113 F HA 0.839 5.366 4.527 -0.000 0.000 0.314 113 F C -0.957 174.829 175.800 -0.023 0.000 1.069 113 F CA -0.894 57.114 58.000 0.012 0.000 0.931 113 F CB 1.944 40.949 39.000 0.009 0.000 1.260 113 F HN 0.277 nan 8.300 nan 0.000 0.465 114 S N 1.924 117.728 115.700 0.173 0.000 2.776 114 S HA 0.319 4.789 4.470 -0.000 0.000 0.284 114 S C -1.246 173.389 174.600 0.059 0.000 1.160 114 S CA -0.588 57.645 58.200 0.055 0.000 1.051 114 S CB 0.919 64.066 63.200 -0.087 0.000 1.037 114 S HN 0.786 nan 8.310 nan 0.000 0.485 115 Q N 2.276 122.146 119.800 0.117 0.000 2.314 115 Q HA 0.262 4.602 4.340 -0.000 0.000 0.258 115 Q C -0.806 175.229 176.000 0.058 0.000 0.954 115 Q CA -0.305 55.534 55.803 0.061 0.000 0.890 115 Q CB 0.749 29.609 28.738 0.203 0.000 1.210 115 Q HN 0.483 nan 8.270 nan 0.000 0.410 116 D N 0.938 121.364 120.400 0.044 0.000 2.427 116 D HA 0.266 4.906 4.640 -0.000 0.000 0.226 116 D C 0.023 176.370 176.300 0.078 0.000 1.076 116 D CA -0.351 53.673 54.000 0.040 0.000 0.849 116 D CB 1.307 42.111 40.800 0.007 0.000 1.052 116 D HN 0.622 nan 8.370 nan 0.000 0.515 117 A N 2.736 125.597 122.820 0.068 0.000 2.172 117 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 117 A C 1.853 179.461 177.584 0.040 0.000 1.154 117 A CA 1.519 53.598 52.037 0.070 0.000 0.701 117 A CB -0.475 18.564 19.000 0.065 0.000 0.789 117 A HN 0.608 nan 8.150 nan 0.000 0.465 118 T N -3.537 111.024 114.554 0.011 0.000 3.088 118 T HA 0.199 4.549 4.350 -0.000 0.000 0.259 118 T C 0.326 174.989 174.700 -0.063 0.000 1.122 118 T CA 0.494 62.580 62.100 -0.022 0.000 1.095 118 T CB -0.256 68.590 68.868 -0.037 0.000 0.930 118 T HN -0.008 nan 8.240 nan 0.000 0.508 119 V N 2.972 122.856 119.914 -0.050 0.000 2.311 119 V HA 0.387 4.507 4.120 -0.000 0.000 0.275 119 V C -0.301 175.753 176.094 -0.066 0.000 1.022 119 V CA -1.049 61.151 62.300 -0.166 0.000 0.830 119 V CB -0.557 31.216 31.823 -0.083 0.000 1.012 119 V HN 0.505 nan 8.190 nan 0.000 0.452 120 F N 3.434 123.407 119.950 0.038 0.000 3.019 120 F HA -0.242 4.285 4.527 -0.000 0.000 0.259 120 F C 1.712 177.514 175.800 0.003 0.000 0.976 120 F CA 1.079 59.084 58.000 0.008 0.000 0.876 120 F CB -1.871 37.118 39.000 -0.018 0.000 0.784 120 F HN 0.881 nan 8.300 nan 0.000 0.786 121 G N -1.121 107.754 108.800 0.126 0.000 2.180 121 G HA2 0.090 4.050 3.960 -0.000 0.000 0.263 121 G HA3 0.090 4.050 3.960 -0.000 0.000 0.263 121 G C 1.588 176.549 174.900 0.102 0.000 0.989 121 G CA 1.157 46.314 45.100 0.095 0.000 0.692 121 G HN 2.262 nan 8.290 nan 0.000 0.526 122 G N -1.881 107.006 108.800 0.144 0.000 2.148 122 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.254 122 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.254 122 G C 0.491 175.455 174.900 0.107 0.000 0.981 122 G CA 0.854 46.074 45.100 0.200 0.000 0.670 122 G HN 1.704 nan 8.290 nan 0.000 0.528 123 S N -0.280 115.416 115.700 -0.008 0.000 2.549 123 S HA 0.411 4.881 4.470 -0.000 0.000 0.283 123 S C 0.628 174.887 174.600 -0.569 0.000 1.320 123 S CA -0.301 57.769 58.200 -0.217 0.000 1.058 123 S CB 1.285 64.403 63.200 -0.135 0.000 0.882 123 S HN 0.687 nan 8.310 nan 0.000 0.498 124 L N 4.064 124.792 121.223 -0.826 0.000 2.410 124 L HA 0.494 4.834 4.340 -0.000 0.000 0.273 124 L C 0.731 177.155 176.870 -0.744 0.000 1.144 124 L CA 0.061 54.134 54.840 -1.279 0.000 0.863 124 L CB -0.010 41.589 42.059 -0.767 0.000 1.140 124 L HN 0.697 nan 8.230 nan 0.000 0.463 125 G N 2.616 111.055 108.800 -0.600 0.000 2.705 125 G HA2 0.173 4.133 3.960 -0.000 0.000 0.299 125 G HA3 0.173 4.133 3.960 -0.000 0.000 0.299 125 G C 0.258 175.052 174.900 -0.176 0.000 1.315 125 G CA -0.173 44.738 45.100 -0.315 0.000 1.045 125 G HN 0.785 nan 8.290 nan 0.000 0.517 126 E N -1.255 118.875 120.200 -0.116 0.000 2.070 126 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 126 E C 2.338 178.949 176.600 0.017 0.000 1.004 126 E CA 1.637 58.005 56.400 -0.055 0.000 0.805 126 E CB -0.038 29.637 29.700 -0.042 0.000 0.744 126 E HN 0.194 nan 8.360 nan 0.000 0.451 127 V N 0.301 120.254 119.914 0.066 0.000 2.302 127 V HA -0.215 3.905 4.120 -0.000 0.000 0.243 127 V C 2.098 178.276 176.094 0.140 0.000 1.036 127 V CA 1.790 64.148 62.300 0.095 0.000 1.020 127 V CB -0.809 31.081 31.823 0.112 0.000 0.657 127 V HN 0.431 nan 8.190 nan 0.000 0.453 128 Y N 2.288 122.594 120.300 0.010 0.000 2.096 128 Y HA -0.314 4.236 4.550 -0.000 0.000 0.278 128 Y C 2.240 178.106 175.900 -0.056 0.000 1.192 128 Y CA 1.927 60.023 58.100 -0.008 0.000 1.143 128 Y CB -1.086 37.375 38.460 0.002 0.000 0.963 128 Y HN 0.183 nan 8.280 nan 0.000 0.505 129 G N -0.599 108.371 108.800 0.284 0.000 2.402 129 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 129 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 129 G C 1.525 176.446 174.900 0.034 0.000 1.162 129 G CA 0.763 45.940 45.100 0.127 0.000 0.777 129 G HN 0.534 nan 8.290 nan 0.000 0.539 130 E N 0.405 120.625 120.200 0.032 0.000 2.097 130 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 130 E C 2.505 179.111 176.600 0.011 0.000 1.000 130 E CA 1.141 57.550 56.400 0.016 0.000 0.804 130 E CB -0.082 29.631 29.700 0.021 0.000 0.740 130 E HN 0.393 nan 8.360 nan 0.000 0.454 131 K N 0.321 120.728 120.400 0.012 0.000 2.057 131 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 131 K C 2.159 178.745 176.600 -0.023 0.000 1.050 131 K CA 0.959 57.245 56.287 -0.001 0.000 0.935 131 K CB -0.074 32.417 32.500 -0.015 0.000 0.715 131 K HN 0.138 nan 8.250 nan 0.000 0.439 132 I N 0.642 121.153 120.570 -0.098 0.000 2.226 132 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 132 I C 2.162 178.236 176.117 -0.073 0.000 1.100 132 I CA 0.998 62.176 61.300 -0.203 0.000 1.374 132 I CB -0.212 37.493 38.000 -0.492 0.000 1.057 132 I HN -0.058 nan 8.210 nan 0.000 0.413 133 V N 1.119 121.008 119.914 -0.041 0.000 2.407 133 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 133 V C 2.536 178.644 176.094 0.024 0.000 1.055 133 V CA 1.886 64.184 62.300 -0.004 0.000 1.049 133 V CB -0.677 31.143 31.823 -0.006 0.000 0.662 133 V HN 0.437 nan 8.190 nan 0.000 0.455 134 K N 0.612 121.027 120.400 0.026 0.000 2.026 134 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 134 K C 2.065 178.703 176.600 0.063 0.000 1.048 134 K CA 2.120 58.431 56.287 0.040 0.000 0.929 134 K CB -0.179 32.344 32.500 0.039 0.000 0.713 134 K HN 0.485 nan 8.250 nan 0.000 0.439 135 V N -1.024 118.945 119.914 0.091 0.000 2.548 135 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 135 V C 2.070 178.245 176.094 0.135 0.000 1.055 135 V CA 1.209 63.590 62.300 0.135 0.000 1.065 135 V CB -0.731 31.216 31.823 0.206 0.000 0.681 135 V HN 0.299 nan 8.190 nan 0.000 0.462 136 Q N 0.634 120.510 119.800 0.127 0.000 2.050 136 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 136 Q C 2.392 178.444 176.000 0.085 0.000 0.980 136 Q CA 2.238 58.115 55.803 0.123 0.000 0.840 136 Q CB -0.263 28.541 28.738 0.110 0.000 0.898 136 Q HN 0.751 nan 8.270 nan 0.000 0.424 137 E N 0.415 120.653 120.200 0.063 0.000 2.110 137 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 137 E C 1.986 178.607 176.600 0.034 0.000 0.988 137 E CA 0.746 57.173 56.400 0.044 0.000 0.804 137 E CB -0.071 29.648 29.700 0.032 0.000 0.745 137 E HN 0.150 nan 8.360 nan 0.000 0.458 138 L N 1.011 122.255 121.223 0.035 0.000 2.027 138 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 138 L C 2.241 179.119 176.870 0.012 0.000 1.074 138 L CA 1.955 56.801 54.840 0.010 0.000 0.745 138 L CB -0.681 41.382 42.059 0.007 0.000 0.898 138 L HN 0.027 nan 8.230 nan 0.000 0.433 139 A N -0.222 122.625 122.820 0.046 0.000 1.883 139 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 139 A C 2.266 179.876 177.584 0.043 0.000 1.186 139 A CA 2.313 54.380 52.037 0.049 0.000 0.624 139 A CB -0.949 18.099 19.000 0.080 0.000 0.822 139 A HN 0.516 nan 8.150 nan 0.000 0.444 140 I N 0.033 120.633 120.570 0.051 0.000 2.179 140 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 140 I C 2.581 178.716 176.117 0.031 0.000 1.088 140 I CA 1.952 63.281 61.300 0.049 0.000 1.357 140 I CB -0.264 37.768 38.000 0.052 0.000 1.051 140 I HN 0.477 nan 8.210 nan 0.000 0.409 141 K N 1.097 121.509 120.400 0.019 0.000 2.148 141 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 141 K C 1.884 178.482 176.600 -0.004 0.000 1.050 141 K CA 1.988 58.278 56.287 0.006 0.000 0.942 141 K CB -0.328 32.172 32.500 -0.001 0.000 0.724 141 K HN 0.434 nan 8.250 nan 0.000 0.446 142 T N -3.088 111.459 114.554 -0.011 0.000 3.081 142 T HA 0.176 4.526 4.350 -0.000 0.000 0.255 142 T C 1.237 175.934 174.700 -0.005 0.000 1.113 142 T CA 0.420 62.506 62.100 -0.023 0.000 1.082 142 T CB -0.123 68.713 68.868 -0.053 0.000 0.939 142 T HN 0.422 nan 8.240 nan 0.000 0.506 143 G N 2.089 110.896 108.800 0.013 0.000 2.246 143 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.273 143 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.273 143 G C -0.133 174.779 174.900 0.020 0.000 1.055 143 G CA -0.317 44.799 45.100 0.027 0.000 0.851 143 G HN 0.594 nan 8.290 nan 0.000 0.500 144 R N -0.613 119.896 120.500 0.016 0.000 2.778 144 R HA 0.567 4.907 4.340 -0.000 0.000 0.277 144 R C -2.542 173.764 176.300 0.010 0.000 0.977 144 R CA -2.578 53.526 56.100 0.007 0.000 0.950 144 R CB 0.863 31.167 30.300 0.005 0.000 1.165 144 R HN 0.036 nan 8.270 nan 0.000 0.474 145 P HA 0.034 nan 4.420 nan 0.000 0.268 145 P C -0.581 176.731 177.300 0.020 0.000 1.208 145 P CA -0.290 62.798 63.100 -0.020 0.000 0.777 145 P CB 0.475 32.140 31.700 -0.058 0.000 0.875 146 L N 4.029 125.272 121.223 0.033 0.000 2.313 146 L HA 0.449 4.789 4.340 -0.000 0.000 0.283 146 L C -1.043 175.828 176.870 0.002 0.000 1.013 146 L CA -0.258 54.614 54.840 0.053 0.000 0.816 146 L CB 0.543 42.668 42.059 0.111 0.000 1.236 146 L HN 0.149 nan 8.230 nan 0.000 0.419 147 I N 4.663 125.200 120.570 -0.055 0.000 2.378 147 I HA 0.547 4.717 4.170 -0.000 0.000 0.291 147 I C 0.567 176.428 176.117 -0.426 0.000 0.992 147 I CA -0.471 60.743 61.300 -0.143 0.000 1.154 147 I CB 1.077 39.019 38.000 -0.096 0.000 1.315 147 I HN 0.721 nan 8.210 nan 0.000 0.448 148 G N 6.870 115.324 108.800 -0.578 0.000 2.470 148 G HA2 0.730 4.690 3.960 -0.000 0.000 0.320 148 G HA3 0.730 4.690 3.960 -0.000 0.000 0.320 148 G C -0.721 173.807 174.900 -0.620 0.000 1.245 148 G CA -0.421 43.838 45.100 -1.402 0.000 0.935 148 G HN 0.489 nan 8.290 nan 0.000 0.476 149 I N 2.123 122.393 120.570 -0.499 0.000 2.354 149 I HA 0.206 4.376 4.170 -0.000 0.000 0.286 149 I C -0.793 175.367 176.117 0.072 0.000 1.007 149 I CA -0.838 60.404 61.300 -0.097 0.000 1.167 149 I CB 1.558 39.538 38.000 -0.033 0.000 1.320 149 I HN 0.331 nan 8.210 nan 0.000 0.458 150 N N 5.024 123.797 118.700 0.122 0.000 2.421 150 N HA 0.482 5.222 4.740 -0.000 0.000 0.285 150 N C -0.949 174.663 175.510 0.169 0.000 1.027 150 N CA -0.480 52.702 53.050 0.221 0.000 0.918 150 N CB 1.185 39.793 38.487 0.201 0.000 1.152 150 N HN 0.439 nan 8.380 nan 0.000 0.485 151 D N 1.116 121.645 120.400 0.215 0.000 2.492 151 D HA 0.401 5.041 4.640 -0.000 0.000 0.229 151 D C -1.162 175.245 176.300 0.179 0.000 1.345 151 D CA -0.167 53.927 54.000 0.156 0.000 0.912 151 D CB 0.036 40.903 40.800 0.111 0.000 1.526 151 D HN 0.667 nan 8.370 nan 0.000 0.505 152 G N 0.239 109.160 108.800 0.201 0.000 2.489 152 G HA2 0.669 4.629 3.960 -0.000 0.000 0.291 152 G HA3 0.669 4.629 3.960 -0.000 0.000 0.291 152 G C -0.985 173.995 174.900 0.134 0.000 1.487 152 G CA -0.089 45.095 45.100 0.140 0.000 0.795 152 G HN 0.472 nan 8.290 nan 0.000 0.513 153 A N -0.588 122.267 122.820 0.059 0.000 2.257 153 A HA 0.916 5.236 4.320 -0.000 0.000 0.290 153 A C 1.211 178.818 177.584 0.038 0.000 1.201 153 A CA 0.439 52.520 52.037 0.074 0.000 0.863 153 A CB 0.030 19.064 19.000 0.057 0.000 1.256 153 A HN 2.007 nan 8.150 nan 0.000 0.506 154 G N -1.733 107.121 108.800 0.091 0.000 2.653 154 G HA2 0.550 4.510 3.960 -0.000 0.000 0.265 154 G HA3 0.550 4.510 3.960 -0.000 0.000 0.265 154 G C 0.561 175.451 174.900 -0.017 0.000 1.237 154 G CA 0.052 45.238 45.100 0.143 0.000 0.946 154 G HN 1.636 nan 8.290 nan 0.000 0.522 155 A N -0.426 122.363 122.820 -0.052 0.000 2.609 155 A HA 0.140 4.460 4.320 -0.000 0.000 0.232 155 A C 0.936 178.365 177.584 -0.258 0.000 1.041 155 A CA 0.345 52.173 52.037 -0.348 0.000 0.753 155 A CB -0.040 18.649 19.000 -0.518 0.000 0.966 155 A HN 0.634 nan 8.150 nan 0.000 0.510 156 R N 2.124 122.433 120.500 -0.319 0.000 2.399 156 R HA 0.137 4.477 4.340 -0.000 0.000 0.324 156 R C 0.691 176.853 176.300 -0.230 0.000 1.030 156 R CA -0.047 55.886 56.100 -0.278 0.000 0.984 156 R CB 0.063 30.144 30.300 -0.366 0.000 0.961 156 R HN 0.751 nan 8.270 nan 0.000 0.433 157 I N 2.609 123.072 120.570 -0.179 0.000 2.208 157 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 157 I C 1.822 177.873 176.117 -0.110 0.000 1.097 157 I CA 1.514 62.732 61.300 -0.136 0.000 1.363 157 I CB -0.063 37.861 38.000 -0.127 0.000 1.051 157 I HN 0.574 nan 8.210 nan 0.000 0.413 158 Q N 0.523 120.240 119.800 -0.138 0.000 2.291 158 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 158 Q C 1.951 177.978 176.000 0.044 0.000 0.976 158 Q CA 1.078 56.887 55.803 0.010 0.000 0.875 158 Q CB -0.148 28.571 28.738 -0.031 0.000 0.927 158 Q HN 0.508 nan 8.270 nan 0.000 0.450 159 E N -0.247 119.887 120.200 -0.110 0.000 2.208 159 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 159 E C 0.943 177.495 176.600 -0.080 0.000 0.988 159 E CA 0.484 56.809 56.400 -0.126 0.000 0.828 159 E CB 0.012 29.590 29.700 -0.204 0.000 0.763 159 E HN 0.366 nan 8.360 nan 0.000 0.478 160 G N 0.661 109.422 108.800 -0.065 0.000 2.584 160 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.229 160 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.229 160 G C 0.611 175.461 174.900 -0.083 0.000 1.320 160 G CA -0.142 44.929 45.100 -0.047 0.000 0.891 160 G HN 0.204 nan 8.290 nan 0.000 0.573 161 V N 0.387 120.264 119.914 -0.060 0.000 2.913 161 V HA 0.002 4.122 4.120 -0.000 0.000 0.260 161 V C 2.937 178.981 176.094 -0.083 0.000 1.098 161 V CA 2.879 65.142 62.300 -0.062 0.000 1.121 161 V CB -0.137 31.667 31.823 -0.031 0.000 0.714 161 V HN 1.606 nan 8.190 nan 0.000 0.487 162 V N 1.061 120.922 119.914 -0.087 0.000 2.392 162 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 162 V C 2.736 178.746 176.094 -0.141 0.000 1.059 162 V CA 2.987 65.232 62.300 -0.092 0.000 1.051 162 V CB -0.426 31.351 31.823 -0.077 0.000 0.658 162 V HN 0.915 nan 8.190 nan 0.000 0.455 163 S N -0.087 115.491 115.700 -0.203 0.000 2.399 163 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 163 S C 1.897 176.246 174.600 -0.419 0.000 1.022 163 S CA 1.938 59.939 58.200 -0.332 0.000 0.983 163 S CB -0.702 62.253 63.200 -0.409 0.000 0.803 163 S HN 0.611 nan 8.310 nan 0.000 0.480 164 L N 1.365 122.418 121.223 -0.283 0.000 2.109 164 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 164 L C 3.046 179.888 176.870 -0.048 0.000 1.086 164 L CA 0.963 55.711 54.840 -0.154 0.000 0.760 164 L CB -1.441 40.598 42.059 -0.032 0.000 0.910 164 L HN 0.501 nan 8.230 nan 0.000 0.437 165 G N 0.609 109.373 108.800 -0.061 0.000 2.469 165 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 165 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 165 G C 1.569 176.435 174.900 -0.056 0.000 1.150 165 G CA 0.510 45.586 45.100 -0.039 0.000 0.763 165 G HN 0.112 nan 8.290 nan 0.000 0.561 166 L N -0.665 120.503 121.223 -0.093 0.000 2.109 166 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 166 L C 2.676 179.494 176.870 -0.087 0.000 1.086 166 L CA 1.070 55.858 54.840 -0.085 0.000 0.760 166 L CB -1.288 40.717 42.059 -0.090 0.000 0.910 166 L HN 0.190 nan 8.230 nan 0.000 0.437 167 Y N 0.819 120.935 120.300 -0.308 0.000 2.069 167 Y HA -0.270 4.280 4.550 -0.000 0.000 0.278 167 Y C 3.041 178.380 175.900 -0.935 0.000 1.175 167 Y CA 1.304 59.029 58.100 -0.626 0.000 1.134 167 Y CB -1.003 37.216 38.460 -0.401 0.000 0.965 167 Y HN 0.174 nan 8.280 nan 0.000 0.498 168 S N -0.383 115.178 115.700 -0.232 0.000 2.382 168 S HA -0.182 4.288 4.470 -0.000 0.000 0.228 168 S C 2.065 176.632 174.600 -0.055 0.000 1.027 168 S CA 1.203 59.366 58.200 -0.061 0.000 0.991 168 S CB -0.184 63.056 63.200 0.066 0.000 0.823 168 S HN 0.429 nan 8.310 nan 0.000 0.469 169 R N 0.596 121.052 120.500 -0.073 0.000 2.081 169 R HA -0.000 4.340 4.340 -0.000 0.000 0.235 169 R C 2.201 178.480 176.300 -0.034 0.000 1.131 169 R CA 1.360 57.441 56.100 -0.032 0.000 0.960 169 R CB -0.530 29.753 30.300 -0.029 0.000 0.856 169 R HN 0.391 nan 8.270 nan 0.000 0.436 170 I N 0.259 120.763 120.570 -0.111 0.000 2.113 170 I HA -0.288 3.882 4.170 -0.000 0.000 0.238 170 I C 1.936 178.077 176.117 0.039 0.000 1.070 170 I CA 1.349 62.599 61.300 -0.084 0.000 1.332 170 I CB -0.383 37.516 38.000 -0.169 0.000 1.044 170 I HN -0.001 nan 8.210 nan 0.000 0.402 171 F N 1.025 121.008 119.950 0.054 0.000 2.087 171 F HA -0.282 4.245 4.527 -0.000 0.000 0.299 171 F C 2.713 178.529 175.800 0.027 0.000 1.100 171 F CA 1.717 59.738 58.000 0.034 0.000 1.226 171 F CB -1.359 37.648 39.000 0.012 0.000 0.983 171 F HN 0.012 nan 8.300 nan 0.000 0.479 172 R N 0.548 121.173 120.500 0.209 0.000 2.091 172 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 172 R C 2.022 178.378 176.300 0.093 0.000 1.136 172 R CA 1.712 57.885 56.100 0.121 0.000 0.959 172 R CB -0.322 30.029 30.300 0.084 0.000 0.856 172 R HN 0.161 nan 8.270 nan 0.000 0.437 173 N N 0.403 119.157 118.700 0.090 0.000 2.188 173 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 173 N C 1.158 176.731 175.510 0.105 0.000 1.018 173 N CA 1.459 54.559 53.050 0.084 0.000 0.858 173 N CB -0.384 38.148 38.487 0.075 0.000 0.989 173 N HN 0.399 nan 8.380 nan 0.000 0.426 174 N N 0.534 119.316 118.700 0.136 0.000 2.149 174 N HA -0.051 4.689 4.740 -0.000 0.000 0.188 174 N C 1.681 177.252 175.510 0.101 0.000 1.019 174 N CA 0.840 53.975 53.050 0.142 0.000 0.857 174 N CB -0.007 38.588 38.487 0.179 0.000 0.997 174 N HN 0.212 nan 8.380 nan 0.000 0.426 175 I N 0.298 120.919 120.570 0.084 0.000 2.233 175 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 175 I C 1.997 178.136 176.117 0.036 0.000 1.093 175 I CA 0.666 61.992 61.300 0.043 0.000 1.380 175 I CB -0.132 37.883 38.000 0.026 0.000 1.067 175 I HN 0.108 nan 8.210 nan 0.000 0.413 176 L N 0.657 121.908 121.223 0.047 0.000 2.013 176 L HA -0.248 4.091 4.340 -0.000 0.000 0.212 176 L C 2.565 179.467 176.870 0.052 0.000 1.073 176 L CA 1.828 56.694 54.840 0.043 0.000 0.753 176 L CB -0.440 41.648 42.059 0.047 0.000 0.890 176 L HN 0.259 nan 8.230 nan 0.000 0.432 177 A N -1.880 120.983 122.820 0.072 0.000 2.167 177 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 177 A C 1.442 179.088 177.584 0.104 0.000 1.151 177 A CA 0.372 52.464 52.037 0.092 0.000 0.735 177 A CB -0.361 18.704 19.000 0.108 0.000 0.802 177 A HN 0.279 nan 8.150 nan 0.000 0.467 178 S N 0.014 115.759 115.700 0.075 0.000 2.555 178 S HA 0.357 4.827 4.470 -0.000 0.000 0.293 178 S C 1.445 176.061 174.600 0.027 0.000 1.248 178 S CA 0.879 59.115 58.200 0.061 0.000 1.096 178 S CB -0.427 62.786 63.200 0.022 0.000 0.881 178 S HN 1.774 nan 8.310 nan 0.000 0.498 179 G N 3.112 111.936 108.800 0.039 0.000 2.189 179 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.267 179 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.267 179 G C 0.633 175.422 174.900 -0.186 0.000 0.975 179 G CA 0.442 45.409 45.100 -0.222 0.000 0.644 179 G HN 0.777 nan 8.290 nan 0.000 0.537 180 V N 0.326 120.303 119.914 0.105 0.000 2.521 180 V HA 0.376 4.496 4.120 -0.000 0.000 0.239 180 V C 1.321 177.627 176.094 0.352 0.000 1.053 180 V CA 1.787 64.182 62.300 0.158 0.000 1.073 180 V CB -0.051 31.832 31.823 0.100 0.000 0.746 180 V HN 0.705 nan 8.190 nan 0.000 0.476 181 I N -2.076 118.694 120.570 0.334 0.000 2.569 181 I HA 0.609 4.779 4.170 -0.000 0.000 0.296 181 I C -3.027 173.186 176.117 0.159 0.000 1.028 181 I CA -2.816 58.614 61.300 0.216 0.000 1.082 181 I CB 1.748 39.811 38.000 0.105 0.000 1.264 181 I HN -0.069 nan 8.210 nan 0.000 0.429 182 P HA 0.128 nan 4.420 nan 0.000 0.264 182 P C -1.334 175.949 177.300 -0.030 0.000 1.193 182 P CA 0.129 63.030 63.100 -0.332 0.000 0.763 182 P CB 0.400 31.805 31.700 -0.493 0.000 0.810 183 Q N 2.712 122.554 119.800 0.069 0.000 2.309 183 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 183 Q C -0.624 175.451 176.000 0.124 0.000 1.023 183 Q CA -0.360 55.500 55.803 0.095 0.000 0.758 183 Q CB 1.724 30.535 28.738 0.121 0.000 1.247 183 Q HN 0.426 nan 8.270 nan 0.000 0.455 184 I N 1.298 121.929 120.570 0.102 0.000 2.433 184 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 184 I C -0.361 175.802 176.117 0.077 0.000 1.001 184 I CA -0.663 60.721 61.300 0.139 0.000 1.119 184 I CB 2.146 40.217 38.000 0.118 0.000 1.289 184 I HN 0.428 nan 8.210 nan 0.000 0.438 185 S N 6.784 122.552 115.700 0.114 0.000 2.498 185 S HA 0.580 5.049 4.470 -0.000 0.000 0.317 185 S C -0.456 174.195 174.600 0.084 0.000 1.090 185 S CA -0.558 57.683 58.200 0.068 0.000 1.089 185 S CB 1.324 64.579 63.200 0.092 0.000 0.997 185 S HN 0.353 nan 8.310 nan 0.000 0.470 186 L N 4.267 125.520 121.223 0.049 0.000 2.282 186 L HA 0.500 4.839 4.340 -0.000 0.000 0.288 186 L C -0.715 176.184 176.870 0.048 0.000 1.033 186 L CA -0.654 54.226 54.840 0.067 0.000 0.807 186 L CB 0.808 42.923 42.059 0.094 0.000 1.209 186 L HN 0.470 nan 8.230 nan 0.000 0.423 187 I N 5.000 125.590 120.570 0.035 0.000 2.312 187 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 187 I C 0.470 176.595 176.117 0.014 0.000 1.008 187 I CA 0.005 61.318 61.300 0.021 0.000 1.226 187 I CB 1.307 39.301 38.000 -0.009 0.000 1.371 187 I HN 0.818 nan 8.210 nan 0.000 0.468 188 M N 3.908 123.526 119.600 0.031 0.000 2.300 188 M HA 0.321 4.801 4.480 -0.000 0.000 0.313 188 M C 0.731 177.049 176.300 0.029 0.000 0.988 188 M CA -0.018 55.295 55.300 0.022 0.000 1.012 188 M CB 1.663 34.287 32.600 0.040 0.000 1.586 188 M HN 0.725 nan 8.290 nan 0.000 0.562 189 G N 0.344 109.166 108.800 0.037 0.000 2.815 189 G HA2 0.684 4.644 3.960 -0.000 0.000 0.305 189 G HA3 0.684 4.644 3.960 -0.000 0.000 0.305 189 G C -1.592 173.326 174.900 0.030 0.000 1.277 189 G CA -0.538 44.585 45.100 0.039 0.000 0.795 189 G HN 0.126 nan 8.290 nan 0.000 0.528 190 A N -0.352 122.489 122.820 0.035 0.000 2.438 190 A HA 0.611 4.931 4.320 -0.000 0.000 0.280 190 A C 0.554 178.101 177.584 -0.061 0.000 1.160 190 A CA 0.664 52.699 52.037 -0.003 0.000 0.821 190 A CB -0.426 18.614 19.000 0.067 0.000 1.101 190 A HN 1.898 nan 8.150 nan 0.000 0.515 191 A N 2.949 125.663 122.820 -0.175 0.000 2.256 191 A HA 0.688 5.008 4.320 -0.000 0.000 0.317 191 A C 0.300 177.597 177.584 -0.478 0.000 1.318 191 A CA 0.228 52.159 52.037 -0.177 0.000 0.894 191 A CB 0.216 19.106 19.000 -0.184 0.000 1.165 191 A HN 1.921 nan 8.150 nan 0.000 0.525 192 A N 2.247 124.909 122.820 -0.262 0.000 2.365 192 A HA 0.975 5.295 4.320 -0.000 0.000 0.318 192 A C 0.533 178.105 177.584 -0.020 0.000 1.091 192 A CA 0.141 51.937 52.037 -0.402 0.000 0.763 192 A CB 0.981 19.835 19.000 -0.242 0.000 1.248 192 A HN 2.786 nan 8.150 nan 0.000 0.442 193 G N 0.329 109.108 108.800 -0.035 0.000 2.500 193 G HA2 0.296 4.256 3.960 -0.000 0.000 0.209 193 G HA3 0.296 4.256 3.960 -0.000 0.000 0.209 193 G C 0.835 175.751 174.900 0.026 0.000 1.283 193 G CA 0.153 45.321 45.100 0.114 0.000 0.960 193 G HN 1.831 nan 8.290 nan 0.000 0.528 194 G N -1.013 107.899 108.800 0.187 0.000 2.511 194 G HA2 0.178 4.138 3.960 -0.000 0.000 0.217 194 G HA3 0.178 4.138 3.960 -0.000 0.000 0.217 194 G C 1.240 176.058 174.900 -0.136 0.000 1.133 194 G CA 1.759 46.895 45.100 0.060 0.000 0.792 194 G HN 1.587 nan 8.290 nan 0.000 0.539 195 H N -0.220 118.602 119.070 -0.415 0.000 2.521 195 H HA 0.066 4.622 4.556 -0.000 0.000 0.286 195 H C 2.212 177.497 175.328 -0.072 0.000 1.034 195 H CA 0.854 56.687 56.048 -0.359 0.000 1.278 195 H CB -0.326 29.298 29.762 -0.231 0.000 1.386 195 H HN 0.192 nan 8.280 nan 0.000 0.567 196 V N -1.825 117.731 119.914 -0.596 0.000 3.026 196 V HA -0.245 3.875 4.120 -0.000 0.000 0.265 196 V C 1.541 177.448 176.094 -0.311 0.000 1.121 196 V CA 1.152 63.149 62.300 -0.505 0.000 1.142 196 V CB -1.275 30.218 31.823 -0.551 0.000 0.730 196 V HN 0.286 nan 8.190 nan 0.000 0.503 197 Y N 1.085 121.255 120.300 -0.216 0.000 2.373 197 Y HA -0.017 4.533 4.550 0.000 0.000 0.293 197 Y C 3.048 178.837 175.900 -0.185 0.000 1.129 197 Y CA 1.036 58.942 58.100 -0.324 0.000 1.226 197 Y CB -0.800 37.209 38.460 -0.752 0.000 1.000 197 Y HN 0.375 nan 8.280 nan 0.000 0.549 198 S N 0.119 115.956 115.700 0.228 0.000 2.354 198 S HA -0.144 4.326 4.470 -0.000 0.000 0.219 198 S C -0.404 174.302 174.600 0.177 0.000 1.035 198 S CA 1.648 60.031 58.200 0.304 0.000 1.037 198 S CB -1.187 62.240 63.200 0.379 0.000 0.956 198 S HN 0.178 nan 8.310 nan 0.000 0.428 199 P HA -0.151 nan 4.420 nan 0.000 0.217 199 P C 1.444 178.777 177.300 0.054 0.000 1.158 199 P CA 1.976 65.122 63.100 0.076 0.000 0.887 199 P CB -0.355 31.346 31.700 0.001 0.000 0.792 200 A N -0.981 121.851 122.820 0.020 0.000 1.933 200 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 200 A C 2.190 179.791 177.584 0.029 0.000 1.175 200 A CA 1.467 53.514 52.037 0.016 0.000 0.628 200 A CB -1.607 17.411 19.000 0.030 0.000 0.814 200 A HN 0.162 nan 8.150 nan 0.000 0.444 201 L N 0.339 121.585 121.223 0.038 0.000 2.376 201 L HA -0.012 4.328 4.340 -0.000 0.000 0.219 201 L C 1.625 178.529 176.870 0.056 0.000 1.133 201 L CA 0.705 55.566 54.840 0.034 0.000 0.816 201 L CB -0.781 41.307 42.059 0.047 0.000 0.933 201 L HN 0.566 nan 8.230 nan 0.000 0.449 202 T N -4.539 110.060 114.554 0.076 0.000 2.816 202 T HA 0.080 4.430 4.350 -0.000 0.000 0.282 202 T C 0.807 175.516 174.700 0.015 0.000 0.993 202 T CA -0.696 61.451 62.100 0.078 0.000 0.994 202 T CB 1.214 70.150 68.868 0.112 0.000 1.025 202 T HN -0.014 nan 8.240 nan 0.000 0.529 203 D N -0.255 120.122 120.400 -0.038 0.000 2.162 203 D HA 0.100 4.740 4.640 -0.000 0.000 0.203 203 D C -0.128 175.717 176.300 -0.758 0.000 0.967 203 D CA 1.207 55.008 54.000 -0.332 0.000 0.840 203 D CB 0.004 40.636 40.800 -0.281 0.000 0.972 203 D HN 0.476 nan 8.370 nan 0.000 0.482 204 F N -0.055 119.877 119.950 -0.030 0.000 2.569 204 F HA 0.349 4.876 4.527 -0.000 0.000 0.312 204 F C -0.359 175.535 175.800 0.157 0.000 1.109 204 F CA -1.030 56.888 58.000 -0.137 0.000 0.919 204 F CB 2.267 41.217 39.000 -0.083 0.000 1.211 204 F HN -0.440 nan 8.300 nan 0.000 0.446 205 V N 4.811 125.087 119.914 0.603 0.000 2.378 205 V HA 0.465 4.585 4.120 -0.000 0.000 0.288 205 V C -0.627 175.640 176.094 0.288 0.000 1.016 205 V CA -0.519 61.984 62.300 0.338 0.000 0.840 205 V CB 1.423 33.355 31.823 0.181 0.000 0.994 205 V HN 0.481 nan 8.190 nan 0.000 0.431 206 I N 6.143 126.830 120.570 0.195 0.000 2.362 206 I HA 0.492 4.662 4.170 -0.000 0.000 0.289 206 I C 0.150 176.301 176.117 0.056 0.000 0.994 206 I CA 0.084 61.470 61.300 0.144 0.000 1.158 206 I CB 1.531 39.644 38.000 0.187 0.000 1.315 206 I HN 0.463 nan 8.210 nan 0.000 0.451 207 M N 5.260 124.855 119.600 -0.008 0.000 2.537 207 M HA 0.574 5.054 4.480 -0.000 0.000 0.324 207 M C -0.755 175.492 176.300 -0.090 0.000 1.187 207 M CA -1.101 54.176 55.300 -0.038 0.000 0.993 207 M CB 2.146 34.728 32.600 -0.031 0.000 1.666 207 M HN 0.108 nan 8.290 nan 0.000 0.461 208 V N 1.023 120.891 119.914 -0.075 0.000 2.383 208 V HA 0.124 4.244 4.120 -0.000 0.000 0.275 208 V C -0.302 175.743 176.094 -0.082 0.000 1.036 208 V CA -0.711 61.529 62.300 -0.100 0.000 0.889 208 V CB 1.145 32.913 31.823 -0.093 0.000 0.985 208 V HN 0.756 nan 8.190 nan 0.000 0.459 209 D N 4.580 124.914 120.400 -0.110 0.000 2.533 209 D HA 0.071 4.711 4.640 -0.000 0.000 0.236 209 D C 0.989 177.260 176.300 -0.049 0.000 1.137 209 D CA 0.836 54.787 54.000 -0.082 0.000 0.867 209 D CB 0.592 41.328 40.800 -0.107 0.000 1.170 209 D HN 0.601 nan 8.370 nan 0.000 0.474 210 Q N 1.541 121.326 119.800 -0.026 0.000 2.306 210 Q HA -0.221 4.119 4.340 -0.000 0.000 0.149 210 Q C 1.095 177.095 176.000 0.001 0.000 0.719 210 Q CA 2.094 57.890 55.803 -0.013 0.000 1.328 210 Q CB -1.928 26.797 28.738 -0.022 0.000 1.281 210 Q HN 0.609 nan 8.270 nan 0.000 0.978 211 T N -0.113 114.438 114.554 -0.005 0.000 3.040 211 T HA 0.213 4.563 4.350 -0.000 0.000 0.266 211 T C 0.073 174.781 174.700 0.013 0.000 1.005 211 T CA 0.798 62.899 62.100 0.003 0.000 0.906 211 T CB 0.308 69.168 68.868 -0.012 0.000 1.082 211 T HN 0.442 nan 8.240 nan 0.000 0.531 212 S N 0.589 116.299 115.700 0.016 0.000 2.546 212 S HA 0.838 5.308 4.470 -0.000 0.000 0.274 212 S C -1.598 173.033 174.600 0.052 0.000 1.121 212 S CA -0.860 57.355 58.200 0.025 0.000 0.887 212 S CB 2.705 65.908 63.200 0.005 0.000 1.094 212 S HN 0.070 nan 8.310 nan 0.000 0.474 213 Q N 0.707 120.542 119.800 0.059 0.000 2.456 213 Q HA 0.682 5.022 4.340 -0.000 0.000 0.284 213 Q C -1.343 174.659 176.000 0.004 0.000 1.061 213 Q CA -0.374 55.501 55.803 0.121 0.000 0.799 213 Q CB 2.484 31.378 28.738 0.260 0.000 1.445 213 Q HN 0.828 nan 8.270 nan 0.000 0.411 214 M N 2.508 122.155 119.600 0.078 0.000 2.267 214 M HA 0.690 5.170 4.480 -0.000 0.000 0.289 214 M C -1.701 174.627 176.300 0.047 0.000 1.043 214 M CA -0.586 54.623 55.300 -0.152 0.000 0.928 214 M CB 1.456 33.890 32.600 -0.278 0.000 1.613 214 M HN 0.691 nan 8.290 nan 0.000 0.450 215 F N 0.524 120.461 119.950 -0.021 0.000 2.678 215 F HA 0.547 5.074 4.527 -0.000 0.000 0.308 215 F C -0.133 175.616 175.800 -0.086 0.000 1.118 215 F CA -1.157 56.833 58.000 -0.016 0.000 0.959 215 F CB 0.485 39.499 39.000 0.023 0.000 1.305 215 F HN 0.384 nan 8.300 nan 0.000 0.443 216 I N 0.246 120.875 120.570 0.098 0.000 2.286 216 I HA -0.013 4.157 4.170 -0.000 0.000 0.245 216 I C 0.540 176.754 176.117 0.162 0.000 1.104 216 I CA 1.317 62.620 61.300 0.005 0.000 1.397 216 I CB -0.648 37.322 38.000 -0.049 0.000 1.072 216 I HN 0.648 nan 8.210 nan 0.000 0.417 217 T N 0.947 115.653 114.554 0.253 0.000 2.881 217 T HA 0.553 4.903 4.350 -0.000 0.000 0.290 217 T C 0.211 175.012 174.700 0.167 0.000 1.000 217 T CA -0.508 61.709 62.100 0.195 0.000 0.978 217 T CB 2.266 71.186 68.868 0.087 0.000 0.997 217 T HN 0.310 nan 8.240 nan 0.000 0.443 218 G N 2.602 111.479 108.800 0.128 0.000 2.606 218 G HA2 0.365 4.325 3.960 -0.000 0.000 0.252 218 G HA3 0.365 4.325 3.960 -0.000 0.000 0.252 218 G C -1.535 173.234 174.900 -0.218 0.000 1.206 218 G CA -1.337 43.668 45.100 -0.158 0.000 0.861 218 G HN 0.410 nan 8.290 nan 0.000 0.561 219 P HA -0.107 nan 4.420 nan 0.000 0.217 219 P C 1.086 178.325 177.300 -0.101 0.000 1.148 219 P CA 1.153 64.135 63.100 -0.198 0.000 0.828 219 P CB 0.271 31.852 31.700 -0.200 0.000 0.783 220 D N -0.992 119.367 120.400 -0.069 0.000 2.084 220 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 220 D C 2.066 178.351 176.300 -0.025 0.000 0.985 220 D CA 1.025 55.004 54.000 -0.035 0.000 0.826 220 D CB -0.899 39.893 40.800 -0.014 0.000 0.978 220 D HN -0.027 nan 8.370 nan 0.000 0.456 221 V N 1.336 121.240 119.914 -0.017 0.000 2.343 221 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 221 V C 2.547 178.631 176.094 -0.016 0.000 1.051 221 V CA 1.001 63.297 62.300 -0.006 0.000 1.036 221 V CB -0.341 31.490 31.823 0.012 0.000 0.654 221 V HN 0.193 nan 8.190 nan 0.000 0.451 222 I N 0.063 120.613 120.570 -0.033 0.000 2.163 222 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 222 I C 2.632 178.730 176.117 -0.032 0.000 1.085 222 I CA 1.950 63.228 61.300 -0.037 0.000 1.347 222 I CB -0.417 37.545 38.000 -0.064 0.000 1.044 222 I HN 0.288 nan 8.210 nan 0.000 0.408 223 K N 1.145 121.523 120.400 -0.037 0.000 2.020 223 K HA -0.244 4.076 4.320 -0.000 0.000 0.212 223 K C 2.166 178.754 176.600 -0.019 0.000 1.050 223 K CA 2.647 58.916 56.287 -0.029 0.000 0.929 223 K CB -0.873 31.608 32.500 -0.032 0.000 0.714 223 K HN 0.422 nan 8.250 nan 0.000 0.443 224 T N -1.530 113.015 114.554 -0.016 0.000 2.746 224 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 224 T C 1.871 176.567 174.700 -0.007 0.000 1.039 224 T CA 1.687 63.781 62.100 -0.010 0.000 1.142 224 T CB -0.471 68.393 68.868 -0.007 0.000 0.866 224 T HN -0.005 nan 8.240 nan 0.000 0.444 225 V N 1.975 121.885 119.914 -0.007 0.000 2.488 225 V HA 0.030 4.150 4.120 -0.000 0.000 0.246 225 V C 2.880 178.971 176.094 -0.006 0.000 1.046 225 V CA 1.942 64.239 62.300 -0.004 0.000 1.053 225 V CB -0.442 31.381 31.823 -0.000 0.000 0.679 225 V HN 0.889 nan 8.190 nan 0.000 0.458 226 T N -4.457 110.091 114.554 -0.010 0.000 2.975 226 T HA 0.356 4.706 4.350 -0.000 0.000 0.261 226 T C 1.567 176.260 174.700 -0.012 0.000 0.984 226 T CA 0.925 63.019 62.100 -0.010 0.000 0.911 226 T CB 0.975 69.835 68.868 -0.012 0.000 1.127 226 T HN 0.817 nan 8.240 nan 0.000 0.514 227 G N 1.680 110.471 108.800 -0.014 0.000 2.189 227 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.267 227 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.267 227 G C -0.180 174.709 174.900 -0.018 0.000 0.975 227 G CA 0.330 45.421 45.100 -0.015 0.000 0.644 227 G HN 0.692 nan 8.290 nan 0.000 0.537 228 E N 0.876 121.063 120.200 -0.022 0.000 2.360 228 E HA 0.427 4.777 4.350 -0.000 0.000 0.269 228 E C 0.086 176.665 176.600 -0.035 0.000 1.022 228 E CA 0.162 56.546 56.400 -0.027 0.000 0.887 228 E CB 0.580 30.262 29.700 -0.030 0.000 0.990 228 E HN 0.568 nan 8.360 nan 0.000 0.426 229 E N 1.690 121.869 120.200 -0.035 0.000 2.158 229 E HA 0.473 4.823 4.350 -0.000 0.000 0.271 229 E C -1.351 175.220 176.600 -0.048 0.000 0.911 229 E CA -0.587 55.789 56.400 -0.040 0.000 0.767 229 E CB 2.303 31.985 29.700 -0.031 0.000 1.120 229 E HN 0.068 nan 8.360 nan 0.000 0.405 230 V N 2.643 122.518 119.914 -0.065 0.000 2.891 230 V HA 0.303 4.423 4.120 -0.000 0.000 0.304 230 V C -0.386 175.652 176.094 -0.093 0.000 1.171 230 V CA -0.555 61.699 62.300 -0.077 0.000 0.943 230 V CB 2.376 34.143 31.823 -0.093 0.000 1.037 230 V HN 0.893 nan 8.190 nan 0.000 0.427 231 T N 3.521 118.029 114.554 -0.076 0.000 2.860 231 T HA 0.272 4.622 4.350 -0.000 0.000 0.299 231 T C 1.293 175.926 174.700 -0.111 0.000 1.045 231 T CA -0.016 62.040 62.100 -0.075 0.000 1.071 231 T CB 0.910 69.753 68.868 -0.042 0.000 0.985 231 T HN 0.651 nan 8.240 nan 0.000 0.537 232 M N 0.278 119.818 119.600 -0.101 0.000 2.108 232 M HA -0.106 4.374 4.480 -0.000 0.000 0.261 232 M C 2.432 178.740 176.300 0.012 0.000 1.066 232 M CA 2.025 57.270 55.300 -0.093 0.000 1.107 232 M CB -0.467 32.177 32.600 0.074 0.000 1.356 232 M HN 0.887 nan 8.290 nan 0.000 0.406 233 E N 0.772 120.983 120.200 0.018 0.000 2.051 233 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 233 E C 1.598 178.195 176.600 -0.005 0.000 0.991 233 E CA 1.783 58.197 56.400 0.024 0.000 0.799 233 E CB -0.057 29.651 29.700 0.014 0.000 0.748 233 E HN 0.501 nan 8.360 nan 0.000 0.449 234 E N -0.458 119.725 120.200 -0.029 0.000 2.051 234 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 234 E C 2.042 178.597 176.600 -0.074 0.000 0.991 234 E CA 1.068 57.444 56.400 -0.041 0.000 0.799 234 E CB -0.209 29.465 29.700 -0.043 0.000 0.748 234 E HN 0.204 nan 8.360 nan 0.000 0.449 235 L N -0.482 120.682 121.223 -0.098 0.000 2.017 235 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 235 L C 1.639 178.452 176.870 -0.095 0.000 1.073 235 L CA 2.242 57.008 54.840 -0.124 0.000 0.745 235 L CB -0.162 41.747 42.059 -0.250 0.000 0.894 235 L HN 0.139 nan 8.230 nan 0.000 0.432 236 G N -1.741 107.060 108.800 0.003 0.000 4.530 236 G HA2 0.367 4.327 3.960 -0.000 0.000 0.284 236 G HA3 0.367 4.327 3.960 -0.000 0.000 0.284 236 G C 0.502 175.467 174.900 0.109 0.000 1.008 236 G CA 0.145 45.302 45.100 0.096 0.000 0.770 236 G HN 0.628 nan 8.290 nan 0.000 0.424 237 G N -0.321 108.487 108.800 0.012 0.000 2.683 237 G HA2 0.460 4.420 3.960 -0.000 0.000 0.260 237 G HA3 0.460 4.420 3.960 -0.000 0.000 0.260 237 G C 1.362 176.281 174.900 0.032 0.000 1.238 237 G CA 0.396 45.523 45.100 0.045 0.000 0.934 237 G HN 0.513 nan 8.290 nan 0.000 0.534 238 A N -0.882 121.960 122.820 0.037 0.000 1.902 238 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 238 A C 2.063 179.647 177.584 -0.001 0.000 1.181 238 A CA 2.335 54.380 52.037 0.014 0.000 0.623 238 A CB -0.925 18.052 19.000 -0.039 0.000 0.818 238 A HN 0.888 nan 8.150 nan 0.000 0.443 239 H N -0.202 118.825 119.070 -0.071 0.000 2.353 239 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 239 H C 2.107 177.387 175.328 -0.082 0.000 1.090 239 H CA 2.291 58.295 56.048 -0.073 0.000 1.327 239 H CB -0.404 29.319 29.762 -0.066 0.000 1.383 239 H HN 0.375 nan 8.280 nan 0.000 0.508 240 T N 0.180 114.611 114.554 -0.204 0.000 2.684 240 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 240 T C 1.565 176.055 174.700 -0.351 0.000 1.036 240 T CA 1.692 63.601 62.100 -0.319 0.000 1.148 240 T CB -0.297 68.358 68.868 -0.354 0.000 0.863 240 T HN 0.564 nan 8.240 nan 0.000 0.436 241 H N -0.375 118.614 119.070 -0.136 0.000 2.502 241 H HA 0.204 4.760 4.556 0.000 0.000 0.283 241 H C 2.108 177.291 175.328 -0.242 0.000 1.015 241 H CA 0.865 56.811 56.048 -0.170 0.000 1.298 241 H CB -0.226 29.457 29.762 -0.130 0.000 1.411 241 H HN 0.261 nan 8.280 nan 0.000 0.556 242 M N 0.750 120.276 119.600 -0.123 0.000 2.073 242 M HA 0.058 4.538 4.480 -0.000 0.000 0.259 242 M C 2.288 178.504 176.300 -0.140 0.000 1.079 242 M CA 1.976 57.187 55.300 -0.149 0.000 1.131 242 M CB -0.487 32.054 32.600 -0.098 0.000 1.316 242 M HN 0.089 nan 8.290 nan 0.000 0.415 243 A N -1.063 121.640 122.820 -0.194 0.000 2.081 243 A HA 0.031 4.351 4.320 -0.000 0.000 0.214 243 A C 2.014 179.646 177.584 0.079 0.000 1.158 243 A CA 1.123 53.118 52.037 -0.070 0.000 0.724 243 A CB -0.278 18.503 19.000 -0.366 0.000 0.826 243 A HN 0.582 nan 8.150 nan 0.000 0.463 244 K N -0.732 119.632 120.400 -0.060 0.000 2.286 244 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 244 K C 2.019 178.636 176.600 0.029 0.000 1.078 244 K CA 1.009 57.299 56.287 0.005 0.000 0.957 244 K CB 0.107 32.559 32.500 -0.081 0.000 1.018 244 K HN 0.452 nan 8.250 nan 0.000 0.484 245 S N -0.063 115.582 115.700 -0.091 0.000 2.548 245 S HA 0.107 4.577 4.470 -0.000 0.000 0.215 245 S C 1.305 175.744 174.600 -0.269 0.000 0.976 245 S CA 0.468 58.624 58.200 -0.073 0.000 0.908 245 S CB 0.351 63.590 63.200 0.064 0.000 0.781 245 S HN 0.418 nan 8.310 nan 0.000 0.519 246 G N 0.683 109.011 108.800 -0.786 0.000 2.249 246 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.273 246 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.273 246 G C 0.482 175.019 174.900 -0.605 0.000 1.036 246 G CA 0.735 45.044 45.100 -1.318 0.000 0.824 246 G HN 0.585 nan 8.290 nan 0.000 0.504 247 T N -0.957 113.346 114.554 -0.418 0.000 3.018 247 T HA 0.538 4.888 4.350 -0.000 0.000 0.246 247 T C 1.358 175.846 174.700 -0.354 0.000 1.026 247 T CA 1.021 62.936 62.100 -0.307 0.000 1.081 247 T CB 0.505 69.238 68.868 -0.225 0.000 0.970 247 T HN 1.347 nan 8.240 nan 0.000 0.475 248 A N 0.974 123.618 122.820 -0.293 0.000 2.290 248 A HA 0.545 4.865 4.320 -0.000 0.000 0.310 248 A C 0.125 177.569 177.584 -0.234 0.000 1.202 248 A CA -0.389 51.535 52.037 -0.188 0.000 0.837 248 A CB 0.299 19.250 19.000 -0.081 0.000 1.139 248 A HN 0.456 nan 8.150 nan 0.000 0.509 249 H N 0.260 119.384 119.070 0.090 0.000 2.547 249 H HA 0.192 4.748 4.556 -0.000 0.000 0.272 249 H C -0.679 174.723 175.328 0.123 0.000 0.971 249 H CA 1.389 57.543 56.048 0.176 0.000 1.245 249 H CB 0.261 30.256 29.762 0.388 0.000 1.440 249 H HN 0.667 nan 8.280 nan 0.000 0.540 250 Y N 0.197 120.450 120.300 -0.078 0.000 2.479 250 Y HA 0.577 5.127 4.550 -0.000 0.000 0.338 250 Y C -1.574 174.191 175.900 -0.226 0.000 1.055 250 Y CA -1.918 55.972 58.100 -0.350 0.000 1.023 250 Y CB 1.390 39.200 38.460 -1.083 0.000 1.287 250 Y HN -0.048 nan 8.280 nan 0.000 0.447 251 A N 4.627 126.979 122.820 -0.779 0.000 2.322 251 A HA 0.798 5.118 4.320 -0.000 0.000 0.327 251 A C -0.454 176.528 177.584 -1.003 0.000 1.394 251 A CA -0.090 51.566 52.037 -0.634 0.000 0.921 251 A CB -0.451 18.347 19.000 -0.337 0.000 1.153 251 A HN 1.076 nan 8.150 nan 0.000 0.523 252 A N 1.922 124.304 122.820 -0.729 0.000 2.407 252 A HA 0.484 4.804 4.320 -0.000 0.000 0.248 252 A C 1.481 178.922 177.584 -0.239 0.000 1.082 252 A CA 0.270 52.048 52.037 -0.432 0.000 0.785 252 A CB 0.157 19.112 19.000 -0.075 0.000 1.020 252 A HN 1.754 nan 8.150 nan 0.000 0.489 253 S N 1.324 116.951 115.700 -0.123 0.000 2.453 253 S HA 0.363 4.833 4.470 -0.000 0.000 0.231 253 S C 0.897 175.458 174.600 -0.065 0.000 1.005 253 S CA 0.724 58.878 58.200 -0.078 0.000 0.949 253 S CB -0.335 62.847 63.200 -0.029 0.000 0.774 253 S HN 1.957 nan 8.310 nan 0.000 0.510 254 G N -0.251 108.506 108.800 -0.072 0.000 2.489 254 G HA2 0.399 4.359 3.960 -0.000 0.000 0.305 254 G HA3 0.399 4.359 3.960 -0.000 0.000 0.305 254 G C -0.314 174.492 174.900 -0.157 0.000 1.311 254 G CA -0.383 44.665 45.100 -0.087 0.000 0.813 254 G HN 0.025 nan 8.290 nan 0.000 0.480 255 E N -0.228 119.851 120.200 -0.201 0.000 2.031 255 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 255 E C 2.429 178.599 176.600 -0.717 0.000 0.994 255 E CA 1.262 57.395 56.400 -0.445 0.000 0.800 255 E CB -0.033 29.511 29.700 -0.260 0.000 0.752 255 E HN 0.398 nan 8.360 nan 0.000 0.447 256 Q N 0.813 120.453 119.800 -0.267 0.000 2.112 256 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 256 Q C 1.835 177.813 176.000 -0.037 0.000 0.987 256 Q CA 1.554 57.334 55.803 -0.038 0.000 0.858 256 Q CB -0.495 28.296 28.738 0.089 0.000 0.905 256 Q HN 0.317 nan 8.270 nan 0.000 0.420 257 D N 0.164 120.539 120.400 -0.042 0.000 2.144 257 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 257 D C 1.745 178.106 176.300 0.102 0.000 0.984 257 D CA 1.340 55.378 54.000 0.063 0.000 0.834 257 D CB 0.015 40.869 40.800 0.090 0.000 0.955 257 D HN 0.218 nan 8.370 nan 0.000 0.465 258 A N -0.323 122.461 122.820 -0.061 0.000 1.877 258 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 258 A C 2.192 179.802 177.584 0.044 0.000 1.186 258 A CA 1.285 53.302 52.037 -0.034 0.000 0.620 258 A CB -1.257 17.587 19.000 -0.260 0.000 0.822 258 A HN 0.407 nan 8.150 nan 0.000 0.443 259 F N 0.457 120.464 119.950 0.095 0.000 2.095 259 F HA -0.242 4.285 4.527 -0.000 0.000 0.298 259 F C 2.247 178.078 175.800 0.052 0.000 1.104 259 F CA 0.877 58.911 58.000 0.057 0.000 1.232 259 F CB -0.459 38.559 39.000 0.030 0.000 0.987 259 F HN 0.178 nan 8.300 nan 0.000 0.475 260 D N -0.295 120.237 120.400 0.220 0.000 2.116 260 D HA -0.248 4.392 4.640 -0.000 0.000 0.193 260 D C 1.866 178.206 176.300 0.068 0.000 0.998 260 D CA 1.463 55.538 54.000 0.124 0.000 0.836 260 D CB -0.862 39.998 40.800 0.101 0.000 0.951 260 D HN 0.310 nan 8.370 nan 0.000 0.449 261 Y N 1.288 121.543 120.300 -0.076 0.000 2.181 261 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 261 Y C 2.316 178.140 175.900 -0.127 0.000 1.146 261 Y CA 1.156 59.127 58.100 -0.216 0.000 1.164 261 Y CB -0.218 37.957 38.460 -0.476 0.000 0.982 261 Y HN -0.200 nan 8.280 nan 0.000 0.515 262 V N 0.717 120.711 119.914 0.134 0.000 2.343 262 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 262 V C 2.348 178.415 176.094 -0.046 0.000 1.051 262 V CA 2.228 64.567 62.300 0.065 0.000 1.036 262 V CB -0.532 31.382 31.823 0.151 0.000 0.654 262 V HN 0.370 nan 8.190 nan 0.000 0.451 263 R N -0.421 120.067 120.500 -0.019 0.000 2.075 263 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 263 R C 2.349 178.577 176.300 -0.119 0.000 1.126 263 R CA 1.265 57.333 56.100 -0.054 0.000 0.963 263 R CB -0.341 29.950 30.300 -0.016 0.000 0.858 263 R HN 0.487 nan 8.270 nan 0.000 0.435 264 E N 1.027 121.136 120.200 -0.150 0.000 2.058 264 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 264 E C 2.031 178.518 176.600 -0.188 0.000 0.997 264 E CA 0.905 57.195 56.400 -0.184 0.000 0.801 264 E CB -0.311 29.264 29.700 -0.208 0.000 0.746 264 E HN 0.118 nan 8.360 nan 0.000 0.450 265 L N 1.023 122.050 121.223 -0.327 0.000 2.012 265 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 265 L C 2.323 179.013 176.870 -0.300 0.000 1.073 265 L CA 1.532 56.154 54.840 -0.364 0.000 0.748 265 L CB -0.689 41.062 42.059 -0.515 0.000 0.891 265 L HN 0.088 nan 8.230 nan 0.000 0.431 266 L N -0.525 120.555 121.223 -0.239 0.000 2.131 266 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 266 L C 2.620 179.363 176.870 -0.213 0.000 1.092 266 L CA 1.332 56.047 54.840 -0.209 0.000 0.759 266 L CB -0.699 41.275 42.059 -0.142 0.000 0.903 266 L HN 0.555 nan 8.230 nan 0.000 0.435 267 S N -1.283 114.275 115.700 -0.237 0.000 2.442 267 S HA -0.193 4.277 4.470 -0.000 0.000 0.236 267 S C 1.700 176.045 174.600 -0.425 0.000 1.007 267 S CA 0.854 58.876 58.200 -0.298 0.000 0.965 267 S CB -0.518 62.485 63.200 -0.329 0.000 0.773 267 S HN 0.439 nan 8.310 nan 0.000 0.504 268 Y N 1.229 121.320 120.300 -0.348 0.000 2.490 268 Y HA 0.469 5.019 4.550 -0.000 0.000 0.285 268 Y C 0.982 176.652 175.900 -0.383 0.000 1.117 268 Y CA -0.240 57.611 58.100 -0.415 0.000 1.262 268 Y CB 0.044 38.106 38.460 -0.663 0.000 1.043 268 Y HN 0.199 nan 8.280 nan 0.000 0.553 269 L N 2.291 123.372 121.223 -0.237 0.000 2.360 269 L HA 0.364 4.704 4.340 -0.000 0.000 0.271 269 L C -2.137 174.642 176.870 -0.152 0.000 1.057 269 L CA -2.283 52.424 54.840 -0.222 0.000 0.803 269 L CB 1.122 42.986 42.059 -0.326 0.000 1.207 269 L HN -0.180 nan 8.230 nan 0.000 0.445 270 P HA 0.161 nan 4.420 nan 0.000 0.274 270 P C -2.338 174.908 177.300 -0.089 0.000 1.256 270 P CA -1.406 61.666 63.100 -0.047 0.000 0.795 270 P CB 0.217 31.940 31.700 0.039 0.000 1.038 271 P HA -0.078 nan 4.420 nan 0.000 0.225 271 P C -0.100 177.189 177.300 -0.019 0.000 1.156 271 P CA 1.438 64.509 63.100 -0.049 0.000 0.787 271 P CB 0.001 31.690 31.700 -0.018 0.000 0.802 272 N N -1.732 117.000 118.700 0.054 0.000 3.116 272 N HA 0.037 4.777 4.740 -0.000 0.000 0.244 272 N C 0.240 175.910 175.510 0.266 0.000 1.485 272 N CA -0.803 52.348 53.050 0.169 0.000 0.884 272 N CB -0.714 37.838 38.487 0.109 0.000 1.415 272 N HN -0.335 nan 8.380 nan 0.000 0.524 273 N N -1.025 117.840 118.700 0.275 0.000 2.550 273 N HA -0.018 4.722 4.740 -0.000 0.000 0.186 273 N C -0.089 175.468 175.510 0.078 0.000 1.110 273 N CA 0.667 53.809 53.050 0.153 0.000 0.912 273 N CB -0.240 38.237 38.487 -0.016 0.000 0.968 273 N HN 0.446 nan 8.380 nan 0.000 0.448 274 S N -1.027 114.719 115.700 0.076 0.000 2.575 274 S HA 0.150 4.620 4.470 -0.000 0.000 0.215 274 S C -0.060 174.564 174.600 0.041 0.000 0.966 274 S CA -0.165 58.062 58.200 0.044 0.000 0.911 274 S CB 0.192 63.414 63.200 0.037 0.000 0.780 274 S HN 0.397 nan 8.310 nan 0.000 0.514 275 T N 2.211 116.798 114.554 0.055 0.000 2.876 275 T HA 0.298 4.648 4.350 -0.000 0.000 0.289 275 T C -1.119 173.606 174.700 0.043 0.000 1.014 275 T CA -0.880 61.245 62.100 0.041 0.000 0.986 275 T CB 1.443 70.332 68.868 0.035 0.000 1.021 275 T HN -0.056 nan 8.240 nan 0.000 0.458 276 D N 2.236 122.652 120.400 0.028 0.000 2.455 276 D HA 0.344 4.984 4.640 -0.000 0.000 0.241 276 D C 0.500 176.811 176.300 0.018 0.000 1.138 276 D CA 0.028 54.042 54.000 0.025 0.000 0.877 276 D CB 0.581 41.391 40.800 0.017 0.000 1.187 276 D HN 0.727 nan 8.370 nan 0.000 0.451 277 A N 4.190 127.022 122.820 0.021 0.000 2.561 277 A HA 0.243 4.563 4.320 -0.000 0.000 0.234 277 A C -1.954 175.611 177.584 -0.030 0.000 1.055 277 A CA -0.777 51.257 52.037 -0.006 0.000 0.756 277 A CB -0.322 18.682 19.000 0.007 0.000 0.986 277 A HN 0.363 nan 8.150 nan 0.000 0.505 278 P HA 0.317 nan 4.420 nan 0.000 0.275 278 P C -0.684 176.551 177.300 -0.109 0.000 1.227 278 P CA -0.048 63.016 63.100 -0.059 0.000 0.781 278 P CB 0.753 32.420 31.700 -0.056 0.000 0.906 279 R N 1.888 122.362 120.500 -0.043 0.000 2.711 279 R HA 0.472 4.812 4.340 -0.000 0.000 0.284 279 R C -0.032 176.338 176.300 0.117 0.000 0.968 279 R CA -0.708 55.365 56.100 -0.045 0.000 0.924 279 R CB 1.514 31.819 30.300 0.009 0.000 1.162 279 R HN 0.514 nan 8.270 nan 0.000 0.465 280 Y N 0.717 121.010 120.300 -0.013 0.000 2.392 280 Y HA 0.123 4.673 4.550 -0.000 0.000 0.323 280 Y C 0.823 176.722 175.900 -0.002 0.000 1.291 280 Y CA -1.369 56.722 58.100 -0.015 0.000 1.345 280 Y CB 0.925 39.373 38.460 -0.020 0.000 1.320 280 Y HN 0.174 nan 8.280 nan 0.000 0.518 281 Q N 1.186 121.080 119.800 0.158 0.000 2.315 281 Q HA 0.139 4.479 4.340 -0.000 0.000 0.289 281 Q C -0.184 175.865 176.000 0.081 0.000 1.044 281 Q CA -0.193 55.660 55.803 0.084 0.000 0.920 281 Q CB 0.837 29.601 28.738 0.043 0.000 1.214 281 Q HN 0.671 nan 8.270 nan 0.000 0.392 282 A N 2.070 124.926 122.820 0.060 0.000 2.332 282 A HA 0.630 4.950 4.320 -0.000 0.000 0.258 282 A C 0.026 177.633 177.584 0.039 0.000 1.087 282 A CA 0.145 52.212 52.037 0.051 0.000 0.802 282 A CB 0.391 19.415 19.000 0.040 0.000 1.042 282 A HN 0.788 nan 8.150 nan 0.000 0.489 283 A N 0.165 123.006 122.820 0.035 0.000 2.272 283 A HA 0.647 4.967 4.320 -0.000 0.000 0.275 283 A C 0.761 178.355 177.584 0.016 0.000 1.096 283 A CA 0.112 52.164 52.037 0.025 0.000 0.822 283 A CB -0.149 18.866 19.000 0.025 0.000 1.088 283 A HN 2.143 nan 8.150 nan 0.000 0.495 284 A N 0.703 123.530 122.820 0.011 0.000 2.371 284 A HA 0.589 4.909 4.320 -0.000 0.000 0.257 284 A C -2.165 175.419 177.584 0.000 0.000 1.089 284 A CA -1.029 51.011 52.037 0.005 0.000 0.794 284 A CB -0.884 18.118 19.000 0.003 0.000 1.029 284 A HN 0.649 nan 8.150 nan 0.000 0.488 285 P HA 0.407 nan 4.420 nan 0.000 0.275 285 P C -0.196 177.097 177.300 -0.012 0.000 1.227 285 P CA -0.030 63.063 63.100 -0.012 0.000 0.781 285 P CB 0.898 32.590 31.700 -0.015 0.000 0.906 286 T N 0.266 114.810 114.554 -0.017 0.000 3.442 286 T HA 0.552 4.902 4.350 -0.000 0.000 0.295 286 T C 0.324 175.012 174.700 -0.020 0.000 1.007 286 T CA 0.095 62.186 62.100 -0.015 0.000 0.962 286 T CB -0.014 68.847 68.868 -0.012 0.000 1.187 286 T HN 0.820 nan 8.240 nan 0.000 0.490 287 G N 2.661 111.446 108.800 -0.024 0.000 2.416 287 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.203 287 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.203 287 G C -2.760 172.116 174.900 -0.039 0.000 1.227 287 G CA -1.196 43.888 45.100 -0.026 0.000 1.041 287 G HN 0.313 nan 8.290 nan 0.000 0.546 288 P HA 0.452 nan 4.420 nan 0.000 0.270 288 P C 1.246 178.495 177.300 -0.085 0.000 1.223 288 P CA -0.322 62.747 63.100 -0.052 0.000 0.785 288 P CB 0.159 31.839 31.700 -0.033 0.000 0.923 289 I N 0.200 120.693 120.570 -0.128 0.000 2.226 289 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 289 I C 1.730 177.692 176.117 -0.259 0.000 1.100 289 I CA 1.694 62.861 61.300 -0.222 0.000 1.374 289 I CB -1.257 36.538 38.000 -0.342 0.000 1.057 289 I HN 0.305 nan 8.210 nan 0.000 0.413 290 E N 1.182 121.256 120.200 -0.209 0.000 2.204 290 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 290 E C 1.830 178.395 176.600 -0.058 0.000 0.990 290 E CA 1.173 57.507 56.400 -0.110 0.000 0.821 290 E CB -0.440 29.262 29.700 0.005 0.000 0.750 290 E HN 0.585 nan 8.360 nan 0.000 0.477 291 E N -0.029 120.138 120.200 -0.055 0.000 2.489 291 E HA 0.046 4.396 4.350 -0.000 0.000 0.193 291 E C 0.382 176.961 176.600 -0.035 0.000 1.057 291 E CA 0.172 56.552 56.400 -0.033 0.000 0.866 291 E CB 0.044 29.729 29.700 -0.026 0.000 0.916 291 E HN 0.263 nan 8.360 nan 0.000 0.500 292 N N 0.196 118.864 118.700 -0.054 0.000 2.234 292 N HA 0.142 4.882 4.740 -0.000 0.000 0.227 292 N C -0.690 174.798 175.510 -0.036 0.000 1.151 292 N CA -0.089 52.936 53.050 -0.042 0.000 0.865 292 N CB 0.657 39.117 38.487 -0.046 0.000 1.066 292 N HN -0.056 nan 8.380 nan 0.000 0.515 293 L N 1.514 122.714 121.223 -0.037 0.000 2.313 293 L HA 0.260 4.600 4.340 -0.000 0.000 0.282 293 L C 1.001 177.869 176.870 -0.004 0.000 1.092 293 L CA -0.484 54.344 54.840 -0.020 0.000 0.831 293 L CB 0.387 42.439 42.059 -0.012 0.000 1.159 293 L HN 0.200 nan 8.230 nan 0.000 0.442 294 T N -2.091 112.466 114.554 0.004 0.000 2.754 294 T HA 0.094 4.444 4.350 -0.000 0.000 0.286 294 T C 0.797 175.502 174.700 0.008 0.000 0.997 294 T CA -0.744 61.361 62.100 0.008 0.000 0.982 294 T CB 1.221 70.098 68.868 0.016 0.000 1.027 294 T HN 0.461 nan 8.240 nan 0.000 0.529 295 D N -0.050 120.355 120.400 0.008 0.000 2.117 295 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 295 D C 1.976 178.280 176.300 0.007 0.000 0.987 295 D CA 1.334 55.337 54.000 0.006 0.000 0.829 295 D CB -0.243 40.561 40.800 0.008 0.000 0.961 295 D HN 0.800 nan 8.370 nan 0.000 0.460 296 E N 0.195 120.403 120.200 0.014 0.000 2.058 296 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 296 E C 1.482 178.091 176.600 0.014 0.000 0.997 296 E CA 1.113 57.525 56.400 0.019 0.000 0.801 296 E CB 0.166 29.884 29.700 0.031 0.000 0.746 296 E HN 0.221 nan 8.360 nan 0.000 0.450 297 D N 0.430 120.839 120.400 0.015 0.000 2.106 297 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 297 D C 2.118 178.406 176.300 -0.019 0.000 0.997 297 D CA 1.015 55.021 54.000 0.011 0.000 0.834 297 D CB -0.380 40.433 40.800 0.021 0.000 0.956 297 D HN 0.230 nan 8.370 nan 0.000 0.448 298 L N 0.803 122.016 121.223 -0.016 0.000 2.131 298 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 298 L C 2.327 179.162 176.870 -0.057 0.000 1.092 298 L CA 1.005 55.824 54.840 -0.034 0.000 0.759 298 L CB -0.456 41.592 42.059 -0.017 0.000 0.903 298 L HN 0.003 nan 8.230 nan 0.000 0.435 299 E N -0.017 120.160 120.200 -0.038 0.000 2.187 299 E HA -0.267 4.083 4.350 -0.000 0.000 0.199 299 E C 2.122 178.678 176.600 -0.074 0.000 1.004 299 E CA 1.040 57.417 56.400 -0.039 0.000 0.813 299 E CB -0.121 29.573 29.700 -0.011 0.000 0.736 299 E HN 0.247 nan 8.360 nan 0.000 0.468 300 L N 1.315 122.476 121.223 -0.104 0.000 2.127 300 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 300 L C 1.651 178.308 176.870 -0.355 0.000 1.089 300 L CA 1.692 56.407 54.840 -0.209 0.000 0.757 300 L CB -0.711 41.202 42.059 -0.244 0.000 0.899 300 L HN 0.069 nan 8.230 nan 0.000 0.434 301 D N -1.049 119.180 120.400 -0.285 0.000 2.182 301 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 301 D C 1.835 178.015 176.300 -0.200 0.000 0.986 301 D CA 1.744 55.579 54.000 -0.276 0.000 0.847 301 D CB 0.017 40.706 40.800 -0.184 0.000 0.942 301 D HN 0.446 nan 8.370 nan 0.000 0.467 302 T N -2.131 112.338 114.554 -0.142 0.000 3.054 302 T HA 0.196 4.546 4.350 -0.000 0.000 0.255 302 T C 1.796 176.445 174.700 -0.084 0.000 1.035 302 T CA -0.290 61.753 62.100 -0.094 0.000 0.941 302 T CB -0.012 68.820 68.868 -0.059 0.000 1.026 302 T HN 0.034 nan 8.240 nan 0.000 0.533 303 L N 0.759 121.916 121.223 -0.110 0.000 2.093 303 L HA 0.238 4.578 4.340 -0.000 0.000 0.208 303 L C 0.397 177.177 176.870 -0.150 0.000 1.085 303 L CA 0.934 55.716 54.840 -0.097 0.000 0.755 303 L CB -0.081 41.930 42.059 -0.080 0.000 0.904 303 L HN 0.208 nan 8.230 nan 0.000 0.435 304 I N 1.669 122.142 120.570 -0.162 0.000 2.471 304 I HA 0.146 4.316 4.170 -0.000 0.000 0.286 304 I C -1.855 174.223 176.117 -0.065 0.000 1.079 304 I CA -1.831 59.355 61.300 -0.190 0.000 1.398 304 I CB -0.236 37.715 38.000 -0.081 0.000 1.403 304 I HN 0.047 nan 8.210 nan 0.000 0.530 305 P HA 0.104 nan 4.420 nan 0.000 0.269 305 P C 0.444 177.765 177.300 0.035 0.000 1.215 305 P CA -0.223 62.898 63.100 0.035 0.000 0.780 305 P CB 0.850 32.601 31.700 0.085 0.000 0.898 306 D N -0.546 119.872 120.400 0.030 0.000 2.123 306 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 306 D C 0.745 177.071 176.300 0.043 0.000 0.992 306 D CA 1.329 55.347 54.000 0.030 0.000 0.833 306 D CB -0.305 40.509 40.800 0.024 0.000 0.954 306 D HN 0.277 nan 8.370 nan 0.000 0.455 307 S N 1.329 117.058 115.700 0.049 0.000 2.488 307 S HA 0.092 4.562 4.470 -0.000 0.000 0.278 307 S C -1.571 173.071 174.600 0.069 0.000 1.259 307 S CA -1.337 56.896 58.200 0.055 0.000 1.061 307 S CB 1.262 64.493 63.200 0.052 0.000 0.910 307 S HN -0.068 nan 8.310 nan 0.000 0.491 308 P HA 0.019 nan 4.420 nan 0.000 0.230 308 P C 0.293 177.641 177.300 0.081 0.000 1.158 308 P CA 0.676 63.824 63.100 0.080 0.000 0.769 308 P CB 0.130 31.882 31.700 0.087 0.000 0.807 309 N N -0.992 117.751 118.700 0.072 0.000 2.322 309 N HA 0.007 4.747 4.740 -0.000 0.000 0.181 309 N C 0.843 176.388 175.510 0.058 0.000 1.088 309 N CA 0.201 53.288 53.050 0.061 0.000 0.885 309 N CB -0.130 38.388 38.487 0.052 0.000 1.013 309 N HN 0.269 nan 8.380 nan 0.000 0.472 310 Q N 1.943 121.787 119.800 0.073 0.000 2.296 310 Q HA 0.184 4.524 4.340 -0.000 0.000 0.262 310 Q C -2.365 173.700 176.000 0.108 0.000 0.981 310 Q CA -1.579 54.271 55.803 0.078 0.000 0.905 310 Q CB 0.905 29.692 28.738 0.080 0.000 1.186 310 Q HN 0.056 nan 8.270 nan 0.000 0.399 311 P HA 0.172 nan 4.420 nan 0.000 0.276 311 P C -1.609 175.750 177.300 0.099 0.000 1.261 311 P CA -0.044 63.056 63.100 0.001 0.000 0.800 311 P CB 0.349 32.017 31.700 -0.054 0.000 1.066 312 Y N -3.109 117.203 120.300 0.019 0.000 2.571 312 Y HA 0.538 5.088 4.550 -0.000 0.000 0.341 312 Y C -0.887 175.029 175.900 0.026 0.000 1.076 312 Y CA -1.622 56.495 58.100 0.029 0.000 1.029 312 Y CB 0.466 38.949 38.460 0.038 0.000 1.308 312 Y HN 0.108 nan 8.280 nan 0.000 0.461 313 D N 2.649 123.115 120.400 0.109 0.000 2.358 313 D HA 0.030 4.670 4.640 -0.000 0.000 0.258 313 D C 0.694 177.079 176.300 0.141 0.000 1.223 313 D CA 0.036 54.082 54.000 0.077 0.000 0.886 313 D CB 1.392 42.275 40.800 0.139 0.000 1.120 313 D HN 0.821 nan 8.370 nan 0.000 0.482 314 M N 4.606 124.188 119.600 -0.030 0.000 2.460 314 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 314 M C 1.324 177.585 176.300 -0.064 0.000 1.071 314 M CA 1.350 56.638 55.300 -0.019 0.000 1.096 314 M CB -0.217 32.276 32.600 -0.179 0.000 1.408 314 M HN 0.447 nan 8.290 nan 0.000 0.463 315 H N -0.108 118.955 119.070 -0.012 0.000 2.489 315 H HA -0.090 4.466 4.556 -0.000 0.000 0.295 315 H C 1.611 176.941 175.328 0.003 0.000 1.082 315 H CA 1.442 57.469 56.048 -0.034 0.000 1.295 315 H CB -0.027 29.745 29.762 0.017 0.000 1.380 315 H HN 0.467 nan 8.280 nan 0.000 0.548 316 E N 0.540 120.845 120.200 0.176 0.000 2.106 316 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 316 E C 2.533 179.203 176.600 0.117 0.000 0.984 316 E CA 0.372 56.857 56.400 0.142 0.000 0.806 316 E CB -0.107 29.689 29.700 0.160 0.000 0.750 316 E HN 0.270 nan 8.360 nan 0.000 0.458 317 V N 1.535 121.523 119.914 0.125 0.000 2.283 317 V HA -0.202 3.917 4.120 -0.000 0.000 0.243 317 V C 2.459 178.576 176.094 0.039 0.000 1.039 317 V CA 1.235 63.608 62.300 0.121 0.000 1.016 317 V CB -0.475 31.425 31.823 0.129 0.000 0.650 317 V HN 0.151 nan 8.190 nan 0.000 0.449 318 I N 0.160 120.691 120.570 -0.066 0.000 2.118 318 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 318 I C 2.622 178.679 176.117 -0.101 0.000 1.070 318 I CA 2.098 63.285 61.300 -0.189 0.000 1.327 318 I CB -0.735 36.960 38.000 -0.509 0.000 1.034 318 I HN 0.295 nan 8.210 nan 0.000 0.405 319 T N 0.314 114.849 114.554 -0.033 0.000 2.759 319 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 319 T C 1.961 176.694 174.700 0.055 0.000 1.042 319 T CA 1.413 63.536 62.100 0.039 0.000 1.140 319 T CB -0.187 68.726 68.868 0.074 0.000 0.864 319 T HN 0.317 nan 8.240 nan 0.000 0.455 320 R N 0.115 120.648 120.500 0.056 0.000 2.200 320 R HA 0.218 4.558 4.340 -0.000 0.000 0.208 320 R C 2.224 178.566 176.300 0.071 0.000 1.033 320 R CA 0.498 56.636 56.100 0.064 0.000 1.000 320 R CB -0.133 30.208 30.300 0.068 0.000 0.906 320 R HN 0.372 nan 8.270 nan 0.000 0.462 321 L N 0.602 121.866 121.223 0.067 0.000 2.179 321 L HA 0.052 4.392 4.340 -0.000 0.000 0.208 321 L C 0.880 177.795 176.870 0.077 0.000 1.096 321 L CA 0.460 55.346 54.840 0.077 0.000 0.779 321 L CB -0.100 42.001 42.059 0.070 0.000 0.922 321 L HN 0.069 nan 8.230 nan 0.000 0.443 322 L N -0.045 121.221 121.223 0.072 0.000 2.399 322 L HA 0.100 4.440 4.340 -0.000 0.000 0.266 322 L C 1.056 177.992 176.870 0.109 0.000 1.114 322 L CA -0.566 54.335 54.840 0.101 0.000 0.804 322 L CB 0.796 42.927 42.059 0.121 0.000 1.146 322 L HN -0.005 nan 8.230 nan 0.000 0.451 323 D N 0.210 120.683 120.400 0.123 0.000 2.084 323 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 323 D C 0.613 176.983 176.300 0.117 0.000 0.990 323 D CA 1.537 55.606 54.000 0.115 0.000 0.826 323 D CB 0.344 41.220 40.800 0.127 0.000 0.971 323 D HN 0.549 nan 8.370 nan 0.000 0.453 324 D N -0.742 119.744 120.400 0.143 0.000 3.438 324 D HA 0.161 4.801 4.640 -0.000 0.000 0.170 324 D C -0.016 176.382 176.300 0.163 0.000 1.164 324 D CA -0.397 53.685 54.000 0.138 0.000 1.482 324 D CB 0.561 41.444 40.800 0.138 0.000 1.147 324 D HN -0.091 nan 8.370 nan 0.000 0.187 325 E N -0.122 120.191 120.200 0.188 0.000 2.314 325 E HA 0.334 4.684 4.350 -0.000 0.000 0.262 325 E C -0.968 175.823 176.600 0.319 0.000 1.093 325 E CA -0.479 56.051 56.400 0.217 0.000 0.908 325 E CB 1.268 31.070 29.700 0.170 0.000 1.091 325 E HN 0.050 nan 8.360 nan 0.000 0.425 326 F N 2.152 122.171 119.950 0.116 0.000 2.426 326 F HA 0.321 4.848 4.527 -0.000 0.000 0.348 326 F C -1.165 174.680 175.800 0.076 0.000 1.124 326 F CA -1.207 56.849 58.000 0.093 0.000 1.008 326 F CB 0.669 39.730 39.000 0.101 0.000 1.139 326 F HN 0.210 nan 8.300 nan 0.000 0.452 327 L N 6.533 127.572 121.223 -0.307 0.000 2.302 327 L HA 0.315 4.655 4.340 -0.000 0.000 0.285 327 L C 0.023 176.407 176.870 -0.810 0.000 1.090 327 L CA 0.125 54.711 54.840 -0.424 0.000 0.866 327 L CB 0.064 41.942 42.059 -0.301 0.000 1.244 327 L HN 0.691 nan 8.230 nan 0.000 0.435 328 E N 4.103 123.845 120.200 -0.763 0.000 2.338 328 E HA 0.227 4.577 4.350 -0.000 0.000 0.272 328 E C -0.736 175.775 176.600 -0.147 0.000 1.029 328 E CA -0.497 55.505 56.400 -0.664 0.000 0.872 328 E CB 0.738 30.285 29.700 -0.255 0.000 1.015 328 E HN 0.467 nan 8.360 nan 0.000 0.417 329 I N 3.927 124.408 120.570 -0.149 0.000 2.412 329 I HA 0.056 4.226 4.170 -0.000 0.000 0.296 329 I C 0.229 176.419 176.117 0.121 0.000 0.987 329 I CA -0.106 61.256 61.300 0.103 0.000 1.180 329 I CB 1.371 39.423 38.000 0.087 0.000 1.340 329 I HN 0.847 nan 8.210 nan 0.000 0.455 330 Q N 3.169 123.095 119.800 0.210 0.000 2.439 330 Q HA -0.251 4.089 4.340 -0.000 0.000 0.325 330 Q C 1.216 177.292 176.000 0.126 0.000 1.372 330 Q CA 0.635 56.529 55.803 0.152 0.000 0.909 330 Q CB -0.932 27.914 28.738 0.181 0.000 1.167 330 Q HN 0.845 nan 8.270 nan 0.000 0.418 331 A N -0.399 122.488 122.820 0.111 0.000 2.019 331 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 331 A C 1.851 179.474 177.584 0.065 0.000 1.164 331 A CA 1.525 53.621 52.037 0.098 0.000 0.644 331 A CB -0.024 19.043 19.000 0.113 0.000 0.805 331 A HN 0.644 nan 8.150 nan 0.000 0.449 332 G N -2.849 105.987 108.800 0.060 0.000 3.284 332 G HA2 0.354 4.314 3.960 -0.000 0.000 0.236 332 G HA3 0.354 4.314 3.960 -0.000 0.000 0.236 332 G C -0.192 174.752 174.900 0.073 0.000 1.158 332 G CA -0.058 45.064 45.100 0.037 0.000 0.774 332 G HN 0.341 nan 8.290 nan 0.000 0.545 333 Y N 0.578 120.840 120.300 -0.064 0.000 2.409 333 Y HA 0.487 5.037 4.550 -0.000 0.000 0.343 333 Y C 0.317 176.188 175.900 -0.048 0.000 0.973 333 Y CA -1.293 56.769 58.100 -0.063 0.000 1.064 333 Y CB 1.968 40.398 38.460 -0.050 0.000 1.207 333 Y HN 0.397 nan 8.280 nan 0.000 0.452 334 A N 4.817 127.272 122.820 -0.608 0.000 2.362 334 A HA -0.272 4.048 4.320 -0.000 0.000 0.290 334 A C 0.831 178.286 177.584 -0.215 0.000 1.441 334 A CA 1.348 53.094 52.037 -0.484 0.000 0.743 334 A CB -1.844 16.761 19.000 -0.660 0.000 1.125 334 A HN 0.930 nan 8.150 nan 0.000 0.378 335 Q N -0.025 119.628 119.800 -0.245 0.000 2.515 335 Q HA -0.128 4.212 4.340 -0.000 0.000 0.212 335 Q C 1.815 177.757 176.000 -0.096 0.000 0.970 335 Q CA 0.758 56.437 55.803 -0.207 0.000 0.941 335 Q CB -0.101 28.419 28.738 -0.364 0.000 0.998 335 Q HN 1.046 nan 8.270 nan 0.000 0.518 336 N N 0.333 119.050 118.700 0.028 0.000 2.550 336 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 336 N C 0.420 175.915 175.510 -0.026 0.000 1.110 336 N CA 0.558 53.635 53.050 0.044 0.000 0.912 336 N CB 0.452 39.018 38.487 0.132 0.000 0.968 336 N HN 0.224 nan 8.380 nan 0.000 0.448 337 I N 0.097 120.638 120.570 -0.048 0.000 2.769 337 I HA 0.342 4.512 4.170 -0.000 0.000 0.298 337 I C -1.426 174.643 176.117 -0.081 0.000 1.128 337 I CA -0.952 60.305 61.300 -0.072 0.000 1.031 337 I CB 2.634 40.604 38.000 -0.049 0.000 1.235 337 I HN -0.308 nan 8.210 nan 0.000 0.423 338 V N 6.925 126.772 119.914 -0.112 0.000 2.604 338 V HA 0.624 4.744 4.120 -0.000 0.000 0.305 338 V C -0.752 175.275 176.094 -0.111 0.000 1.043 338 V CA -0.609 61.634 62.300 -0.095 0.000 0.888 338 V CB 1.985 33.683 31.823 -0.207 0.000 0.995 338 V HN 0.438 nan 8.190 nan 0.000 0.429 339 V N 2.982 122.813 119.914 -0.139 0.000 2.808 339 V HA 1.026 5.146 4.120 -0.000 0.000 0.308 339 V C 0.194 175.947 176.094 -0.568 0.000 1.099 339 V CA 0.487 62.475 62.300 -0.520 0.000 0.920 339 V CB 2.023 33.453 31.823 -0.656 0.000 1.014 339 V HN 1.196 nan 8.190 nan 0.000 0.425 340 G N 3.175 111.528 108.800 -0.744 0.000 2.320 340 G HA2 0.511 4.471 3.960 -0.000 0.000 0.296 340 G HA3 0.511 4.471 3.960 -0.000 0.000 0.296 340 G C -2.108 172.571 174.900 -0.368 0.000 1.306 340 G CA -0.610 44.063 45.100 -0.712 0.000 0.836 340 G HN 0.356 nan 8.290 nan 0.000 0.517 341 F N 0.197 120.018 119.950 -0.215 0.000 2.480 341 F HA 0.840 5.367 4.527 -0.000 0.000 0.329 341 F C 0.916 176.523 175.800 -0.321 0.000 1.091 341 F CA 0.245 58.019 58.000 -0.377 0.000 0.972 341 F CB 2.318 40.643 39.000 -1.125 0.000 1.150 341 F HN 0.835 nan 8.300 nan 0.000 0.467 342 G N 1.600 110.486 108.800 0.143 0.000 2.827 342 G HA2 0.722 4.682 3.960 -0.000 0.000 0.296 342 G HA3 0.722 4.682 3.960 -0.000 0.000 0.296 342 G C -1.673 173.458 174.900 0.384 0.000 1.362 342 G CA -1.083 44.215 45.100 0.329 0.000 0.809 342 G HN 0.469 nan 8.290 nan 0.000 0.522 343 R N -0.747 119.936 120.500 0.305 0.000 2.621 343 R HA 0.599 4.939 4.340 -0.000 0.000 0.292 343 R C -1.096 175.291 176.300 0.145 0.000 0.969 343 R CA -0.646 55.567 56.100 0.190 0.000 0.887 343 R CB 2.408 32.766 30.300 0.097 0.000 1.180 343 R HN 0.352 nan 8.270 nan 0.000 0.450 344 I N 2.061 122.700 120.570 0.116 0.000 2.418 344 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 344 I C -0.354 175.813 176.117 0.083 0.000 1.008 344 I CA -0.413 60.948 61.300 0.101 0.000 1.104 344 I CB 1.805 39.865 38.000 0.100 0.000 1.264 344 I HN 0.702 nan 8.210 nan 0.000 0.438 345 D N 5.337 125.785 120.400 0.080 0.000 2.708 345 D HA -0.198 4.442 4.640 -0.000 0.000 0.236 345 D C 1.090 177.432 176.300 0.070 0.000 1.146 345 D CA 1.666 55.708 54.000 0.069 0.000 0.662 345 D CB -0.708 40.127 40.800 0.058 0.000 1.059 345 D HN 1.110 nan 8.370 nan 0.000 0.428 346 G N -0.516 108.332 108.800 0.081 0.000 2.179 346 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 346 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 346 G C 0.392 175.287 174.900 -0.009 0.000 0.977 346 G CA 0.441 45.585 45.100 0.074 0.000 0.641 346 G HN 0.614 nan 8.290 nan 0.000 0.533 347 R N 1.021 121.533 120.500 0.020 0.000 2.294 347 R HA 0.478 4.818 4.340 -0.000 0.000 0.319 347 R C -2.681 173.649 176.300 0.049 0.000 0.984 347 R CA -1.990 54.120 56.100 0.017 0.000 0.861 347 R CB 1.290 31.618 30.300 0.046 0.000 1.104 347 R HN 0.087 nan 8.270 nan 0.000 0.451 348 P HA -0.029 nan 4.420 nan 0.000 0.268 348 P C -0.775 176.631 177.300 0.177 0.000 1.205 348 P CA -0.176 63.024 63.100 0.166 0.000 0.771 348 P CB 0.787 32.567 31.700 0.133 0.000 0.858 349 V N 0.142 120.200 119.914 0.240 0.000 3.049 349 V HA 0.917 5.037 4.120 -0.000 0.000 0.309 349 V C -0.195 176.095 176.094 0.327 0.000 1.148 349 V CA -1.079 61.358 62.300 0.228 0.000 0.990 349 V CB 1.997 33.924 31.823 0.173 0.000 1.039 349 V HN 0.577 nan 8.190 nan 0.000 0.430 350 G N 3.398 112.378 108.800 0.300 0.000 2.384 350 G HA2 0.623 4.583 3.960 -0.000 0.000 0.316 350 G HA3 0.623 4.583 3.960 -0.000 0.000 0.316 350 G C -0.508 174.601 174.900 0.348 0.000 1.160 350 G CA -0.642 44.683 45.100 0.375 0.000 0.936 350 G HN 0.643 nan 8.290 nan 0.000 0.455 351 I N 2.702 123.439 120.570 0.279 0.000 2.416 351 I HA 0.162 4.332 4.170 -0.000 0.000 0.288 351 I C -0.104 176.053 176.117 0.066 0.000 1.051 351 I CA -0.364 61.011 61.300 0.125 0.000 1.375 351 I CB 1.249 39.248 38.000 -0.001 0.000 1.407 351 I HN 0.007 nan 8.210 nan 0.000 0.516 352 V N 6.183 126.133 119.914 0.060 0.000 2.376 352 V HA 0.705 4.825 4.120 -0.000 0.000 0.287 352 V C 0.131 176.186 176.094 -0.065 0.000 1.015 352 V CA -0.544 61.758 62.300 0.003 0.000 0.834 352 V CB 1.432 33.315 31.823 0.100 0.000 1.001 352 V HN 0.883 nan 8.190 nan 0.000 0.428 353 A N 4.133 126.884 122.820 -0.116 0.000 2.381 353 A HA 0.722 5.042 4.320 -0.000 0.000 0.299 353 A C -0.403 177.086 177.584 -0.157 0.000 1.049 353 A CA -0.795 51.150 52.037 -0.153 0.000 0.715 353 A CB 0.935 19.814 19.000 -0.202 0.000 1.222 353 A HN 0.815 nan 8.150 nan 0.000 0.428 354 N N 1.107 119.712 118.700 -0.157 0.000 2.479 354 N HA 0.367 5.107 4.740 -0.000 0.000 0.257 354 N C -0.180 175.222 175.510 -0.181 0.000 1.232 354 N CA 0.063 53.021 53.050 -0.154 0.000 0.920 354 N CB 0.515 38.907 38.487 -0.159 0.000 1.105 354 N HN 0.645 nan 8.380 nan 0.000 0.444 355 Q N 2.395 122.096 119.800 -0.164 0.000 2.462 355 Q HA 0.358 4.698 4.340 -0.000 0.000 0.247 355 Q C -2.337 173.546 176.000 -0.196 0.000 1.044 355 Q CA -2.145 53.545 55.803 -0.189 0.000 0.803 355 Q CB 1.488 30.146 28.738 -0.133 0.000 1.190 355 Q HN 0.323 nan 8.270 nan 0.000 0.507 356 P HA -0.127 nan 4.420 nan 0.000 0.220 356 P C 0.694 177.881 177.300 -0.189 0.000 1.144 356 P CA 1.176 64.092 63.100 -0.307 0.000 0.800 356 P CB 0.383 31.727 31.700 -0.593 0.000 0.772 357 T N -2.422 112.032 114.554 -0.167 0.000 3.072 357 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 357 T C 0.467 175.164 174.700 -0.006 0.000 1.127 357 T CA 0.728 62.783 62.100 -0.075 0.000 1.107 357 T CB -0.554 68.278 68.868 -0.059 0.000 0.910 357 T HN 0.185 nan 8.240 nan 0.000 0.513 358 H N -1.032 117.942 119.070 -0.159 0.000 2.840 358 H HA 0.208 4.763 4.556 -0.000 0.000 0.340 358 H C -0.414 174.820 175.328 -0.156 0.000 1.004 358 H CA -0.752 55.145 56.048 -0.251 0.000 1.288 358 H CB 0.402 29.942 29.762 -0.370 0.000 1.607 358 H HN 0.285 nan 8.280 nan 0.000 0.522 359 F N 2.879 122.556 119.950 -0.455 0.000 3.084 359 F HA -0.370 4.157 4.527 -0.000 0.000 0.286 359 F C 1.309 177.000 175.800 -0.181 0.000 0.855 359 F CA 0.354 58.157 58.000 -0.328 0.000 1.091 359 F CB -1.587 37.208 39.000 -0.342 0.000 1.177 359 F HN 0.810 nan 8.300 nan 0.000 0.542 360 A N -1.069 121.760 122.820 0.014 0.000 2.829 360 A HA -0.025 4.295 4.320 -0.000 0.000 0.267 360 A C 1.918 179.467 177.584 -0.058 0.000 1.370 360 A CA 1.934 53.955 52.037 -0.027 0.000 0.900 360 A CB -1.928 17.068 19.000 -0.007 0.000 1.044 360 A HN 2.412 nan 8.150 nan 0.000 0.691 361 G N -3.598 105.173 108.800 -0.049 0.000 2.176 361 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.253 361 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.253 361 G C 0.654 175.508 174.900 -0.077 0.000 0.979 361 G CA 0.433 45.483 45.100 -0.084 0.000 0.641 361 G HN 1.704 nan 8.290 nan 0.000 0.530 362 C N 1.154 120.431 119.300 -0.039 0.000 2.634 362 C HA 0.407 4.867 4.460 -0.000 0.000 0.417 362 C C 1.591 176.548 174.990 -0.056 0.000 1.334 362 C CA -0.182 58.790 59.018 -0.078 0.000 1.829 362 C CB -0.633 27.070 27.740 -0.061 0.000 2.665 362 C HN 0.501 nan 8.230 nan 0.000 0.614 363 L N 4.612 125.737 121.223 -0.163 0.000 2.436 363 L HA 0.375 4.715 4.340 -0.000 0.000 0.265 363 L C 0.384 177.306 176.870 0.087 0.000 1.168 363 L CA 0.436 55.240 54.840 -0.060 0.000 0.815 363 L CB 0.514 42.474 42.059 -0.165 0.000 1.109 363 L HN 0.791 nan 8.230 nan 0.000 0.462 364 D N 0.681 121.158 120.400 0.128 0.000 2.812 364 D HA 0.236 4.876 4.640 -0.000 0.000 0.318 364 D C 0.745 177.112 176.300 0.110 0.000 1.234 364 D CA -0.645 53.422 54.000 0.111 0.000 0.989 364 D CB 0.609 41.439 40.800 0.050 0.000 1.442 364 D HN 0.287 nan 8.370 nan 0.000 0.537 365 I N -0.017 120.595 120.570 0.071 0.000 2.127 365 I HA -0.271 3.899 4.170 -0.000 0.000 0.241 365 I C 1.776 177.942 176.117 0.081 0.000 1.075 365 I CA 1.352 62.694 61.300 0.069 0.000 1.334 365 I CB -0.436 37.596 38.000 0.054 0.000 1.040 365 I HN 0.299 nan 8.210 nan 0.000 0.405 366 N N 1.023 119.755 118.700 0.054 0.000 2.106 366 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 366 N C 1.889 177.391 175.510 -0.013 0.000 1.029 366 N CA 1.618 54.677 53.050 0.015 0.000 0.848 366 N CB -0.583 37.778 38.487 -0.211 0.000 1.007 366 N HN 0.350 nan 8.380 nan 0.000 0.423 367 A N 0.562 123.363 122.820 -0.031 0.000 1.908 367 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 367 A C 2.442 180.065 177.584 0.066 0.000 1.181 367 A CA 1.984 54.024 52.037 0.005 0.000 0.627 367 A CB -0.829 18.182 19.000 0.019 0.000 0.818 367 A HN 0.289 nan 8.150 nan 0.000 0.445 368 S N -0.285 115.470 115.700 0.093 0.000 2.368 368 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 368 S C 1.839 176.514 174.600 0.125 0.000 1.030 368 S CA 1.585 59.854 58.200 0.115 0.000 0.999 368 S CB -0.299 62.982 63.200 0.134 0.000 0.844 368 S HN 0.734 nan 8.310 nan 0.000 0.459 369 E N 1.082 121.362 120.200 0.133 0.000 2.072 369 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 369 E C 2.123 178.832 176.600 0.182 0.000 0.982 369 E CA 0.758 57.246 56.400 0.148 0.000 0.803 369 E CB -0.131 29.658 29.700 0.149 0.000 0.755 369 E HN 0.439 nan 8.360 nan 0.000 0.453 370 K N 1.285 121.818 120.400 0.223 0.000 2.020 370 K HA -0.210 4.110 4.320 -0.000 0.000 0.212 370 K C 2.139 178.869 176.600 0.217 0.000 1.050 370 K CA 1.643 58.077 56.287 0.246 0.000 0.929 370 K CB -0.170 32.478 32.500 0.248 0.000 0.714 370 K HN 0.086 nan 8.250 nan 0.000 0.443 371 A N 0.764 123.686 122.820 0.171 0.000 1.929 371 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 371 A C 2.340 180.067 177.584 0.238 0.000 1.176 371 A CA 1.531 53.684 52.037 0.192 0.000 0.628 371 A CB -0.768 18.302 19.000 0.117 0.000 0.816 371 A HN 0.526 nan 8.150 nan 0.000 0.444 372 A N -0.340 122.593 122.820 0.188 0.000 1.892 372 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 372 A C 2.309 179.995 177.584 0.169 0.000 1.188 372 A CA 1.837 53.979 52.037 0.174 0.000 0.631 372 A CB -0.508 18.578 19.000 0.144 0.000 0.822 372 A HN 0.365 nan 8.150 nan 0.000 0.447 373 R N -1.806 118.799 120.500 0.175 0.000 2.090 373 R HA -0.052 4.288 4.340 -0.000 0.000 0.228 373 R C 1.933 178.326 176.300 0.156 0.000 1.110 373 R CA 1.320 57.503 56.100 0.138 0.000 0.973 373 R CB -0.828 29.553 30.300 0.136 0.000 0.869 373 R HN 0.569 nan 8.270 nan 0.000 0.440 374 F N 1.039 121.047 119.950 0.097 0.000 2.091 374 F HA -0.248 4.279 4.527 0.000 0.000 0.299 374 F C 2.180 178.038 175.800 0.096 0.000 1.103 374 F CA 1.507 59.566 58.000 0.098 0.000 1.228 374 F CB -0.467 38.580 39.000 0.079 0.000 0.984 374 F HN -0.245 nan 8.300 nan 0.000 0.477 375 V N 1.077 121.053 119.914 0.103 0.000 2.407 375 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 375 V C 2.555 178.620 176.094 -0.048 0.000 1.055 375 V CA 2.151 64.466 62.300 0.025 0.000 1.049 375 V CB -0.616 31.308 31.823 0.169 0.000 0.662 375 V HN 0.302 nan 8.190 nan 0.000 0.455 376 R N -0.397 120.099 120.500 -0.007 0.000 2.090 376 R HA -0.083 4.257 4.340 -0.000 0.000 0.228 376 R C 2.335 178.577 176.300 -0.096 0.000 1.110 376 R CA 1.699 57.780 56.100 -0.032 0.000 0.973 376 R CB -0.814 29.494 30.300 0.013 0.000 0.869 376 R HN 0.529 nan 8.270 nan 0.000 0.440 377 T N 0.928 115.427 114.554 -0.092 0.000 2.674 377 T HA -0.182 4.168 4.350 -0.000 0.000 0.265 377 T C 2.187 176.880 174.700 -0.012 0.000 1.039 377 T CA 1.474 63.544 62.100 -0.051 0.000 1.150 377 T CB -0.487 68.378 68.868 -0.005 0.000 0.864 377 T HN 0.299 nan 8.240 nan 0.000 0.427 378 C N 1.335 120.555 119.300 -0.134 0.000 2.398 378 C HA -0.123 4.337 4.460 -0.000 0.000 0.276 378 C C 2.685 177.650 174.990 -0.043 0.000 1.222 378 C CA 0.839 59.817 59.018 -0.067 0.000 1.746 378 C CB -1.126 26.486 27.740 -0.212 0.000 2.039 378 C HN 0.661 nan 8.230 nan 0.000 0.470 379 D N -0.417 119.924 120.400 -0.099 0.000 2.097 379 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 379 D C 2.042 178.245 176.300 -0.161 0.000 0.989 379 D CA 1.544 55.479 54.000 -0.108 0.000 0.827 379 D CB -0.255 40.479 40.800 -0.111 0.000 0.966 379 D HN 0.476 nan 8.370 nan 0.000 0.456 380 C N -0.342 118.792 119.300 -0.277 0.000 2.391 380 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 380 C C 1.696 176.329 174.990 -0.596 0.000 1.217 380 C CA 0.533 59.227 59.018 -0.540 0.000 1.766 380 C CB -1.339 25.842 27.740 -0.931 0.000 2.046 380 C HN 0.321 nan 8.230 nan 0.000 0.475 381 F N 0.927 120.877 119.950 -0.001 0.000 2.708 381 F HA 0.267 4.794 4.527 -0.000 0.000 0.300 381 F C 0.771 176.569 175.800 -0.003 0.000 1.118 381 F CA -0.505 57.496 58.000 0.003 0.000 1.307 381 F CB -0.981 38.029 39.000 0.016 0.000 0.986 381 F HN 0.162 nan 8.300 nan 0.000 0.522 382 N N 0.765 119.512 118.700 0.079 0.000 2.776 382 N HA -0.205 4.534 4.740 -0.000 0.000 0.249 382 N C -0.466 175.081 175.510 0.062 0.000 1.111 382 N CA 0.513 53.594 53.050 0.051 0.000 0.711 382 N CB -1.650 36.870 38.487 0.055 0.000 1.065 382 N HN 0.331 nan 8.380 nan 0.000 0.556 383 I N 1.167 121.783 120.570 0.076 0.000 2.312 383 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 383 I C -2.018 174.143 176.117 0.073 0.000 1.008 383 I CA -1.781 59.579 61.300 0.100 0.000 1.226 383 I CB 1.385 39.493 38.000 0.180 0.000 1.371 383 I HN -0.321 nan 8.210 nan 0.000 0.468 384 P HA 0.088 nan 4.420 nan 0.000 0.266 384 P C -0.618 176.734 177.300 0.088 0.000 1.193 384 P CA 0.285 63.423 63.100 0.063 0.000 0.770 384 P CB 0.535 32.278 31.700 0.072 0.000 0.836 385 I N 2.561 123.174 120.570 0.072 0.000 2.339 385 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 385 I C -0.389 175.810 176.117 0.136 0.000 0.994 385 I CA -0.682 60.689 61.300 0.119 0.000 1.191 385 I CB 1.402 39.468 38.000 0.110 0.000 1.343 385 I HN -0.044 nan 8.210 nan 0.000 0.458 386 V N 7.459 127.457 119.914 0.141 0.000 2.334 386 V HA 0.408 4.527 4.120 -0.000 0.000 0.281 386 V C 0.138 176.275 176.094 0.073 0.000 1.016 386 V CA -0.465 61.896 62.300 0.101 0.000 0.832 386 V CB 1.363 33.237 31.823 0.085 0.000 0.999 386 V HN 0.672 nan 8.190 nan 0.000 0.439 387 M N 5.861 125.489 119.600 0.046 0.000 2.209 387 M HA 0.568 5.048 4.480 -0.000 0.000 0.355 387 M C -0.995 175.252 176.300 -0.088 0.000 1.171 387 M CA -0.335 54.953 55.300 -0.020 0.000 1.069 387 M CB 1.560 34.130 32.600 -0.049 0.000 1.622 387 M HN 0.429 nan 8.290 nan 0.000 0.459 388 L N 4.267 125.412 121.223 -0.130 0.000 2.316 388 L HA 0.556 4.896 4.340 -0.000 0.000 0.280 388 L C -0.953 175.792 176.870 -0.209 0.000 1.006 388 L CA -0.888 53.833 54.840 -0.199 0.000 0.836 388 L CB 1.372 43.310 42.059 -0.202 0.000 1.221 388 L HN 0.366 nan 8.230 nan 0.000 0.418 389 V N 1.869 121.640 119.914 -0.239 0.000 2.357 389 V HA 0.380 4.499 4.120 -0.000 0.000 0.284 389 V C -0.669 175.302 176.094 -0.205 0.000 1.018 389 V CA -0.255 61.921 62.300 -0.207 0.000 0.841 389 V CB 1.688 33.399 31.823 -0.187 0.000 0.991 389 V HN 0.646 nan 8.190 nan 0.000 0.437 390 D N 4.041 124.334 120.400 -0.178 0.000 2.429 390 D HA 0.275 4.915 4.640 -0.000 0.000 0.255 390 D C -1.431 174.764 176.300 -0.176 0.000 1.257 390 D CA -0.031 53.875 54.000 -0.157 0.000 0.890 390 D CB 1.718 42.469 40.800 -0.081 0.000 1.267 390 D HN 0.327 nan 8.370 nan 0.000 0.521 391 V N 5.100 124.890 119.914 -0.207 0.000 2.419 391 V HA 0.430 4.550 4.120 -0.000 0.000 0.287 391 V C -1.981 173.981 176.094 -0.220 0.000 1.017 391 V CA -2.025 60.149 62.300 -0.209 0.000 0.844 391 V CB 2.301 33.987 31.823 -0.230 0.000 1.011 391 V HN 0.191 nan 8.190 nan 0.000 0.429 392 P HA 0.266 nan 4.420 nan 0.000 0.229 392 P C 0.667 178.005 177.300 0.064 0.000 1.160 392 P CA 1.410 64.503 63.100 -0.011 0.000 0.777 392 P CB 0.198 31.922 31.700 0.039 0.000 0.814 393 G N -1.956 106.776 108.800 -0.112 0.000 2.356 393 G HA2 0.211 4.171 3.960 -0.000 0.000 0.266 393 G HA3 0.211 4.171 3.960 -0.000 0.000 0.266 393 G C -1.703 172.960 174.900 -0.396 0.000 1.312 393 G CA -0.911 44.093 45.100 -0.161 0.000 0.922 393 G HN -0.078 nan 8.290 nan 0.000 0.480 394 F N 0.578 120.520 119.950 -0.013 0.000 2.397 394 F HA 0.578 5.105 4.527 -0.000 0.000 0.331 394 F C 1.072 176.820 175.800 -0.087 0.000 1.090 394 F CA -0.844 57.128 58.000 -0.045 0.000 1.065 394 F CB 1.662 40.637 39.000 -0.042 0.000 1.184 394 F HN 0.292 nan 8.300 nan 0.000 0.499 395 L N 5.045 126.276 121.223 0.013 0.000 2.654 395 L HA 0.096 4.436 4.340 -0.000 0.000 0.271 395 L C -2.168 174.631 176.870 -0.120 0.000 1.169 395 L CA -1.228 53.514 54.840 -0.162 0.000 0.947 395 L CB 0.187 42.030 42.059 -0.360 0.000 1.232 395 L HN 0.345 nan 8.230 nan 0.000 0.486 396 P HA 0.435 nan 4.420 nan 0.000 0.275 396 P C -0.367 176.853 177.300 -0.133 0.000 1.227 396 P CA -0.193 62.854 63.100 -0.088 0.000 0.781 396 P CB 1.263 32.926 31.700 -0.062 0.000 0.906 397 G N -0.118 108.599 108.800 -0.138 0.000 2.358 397 G HA2 0.137 4.097 3.960 -0.000 0.000 0.301 397 G HA3 0.137 4.097 3.960 -0.000 0.000 0.301 397 G C 0.355 175.109 174.900 -0.242 0.000 1.539 397 G CA -0.307 44.691 45.100 -0.169 0.000 0.893 397 G HN 0.335 nan 8.290 nan 0.000 0.636 398 T N -0.332 114.042 114.554 -0.300 0.000 2.737 398 T HA -0.057 4.293 4.350 -0.000 0.000 0.265 398 T C 1.932 176.139 174.700 -0.822 0.000 1.038 398 T CA 2.283 64.029 62.100 -0.589 0.000 1.144 398 T CB -0.288 68.333 68.868 -0.411 0.000 0.866 398 T HN 0.461 nan 8.240 nan 0.000 0.434 399 D N 0.689 120.849 120.400 -0.400 0.000 2.149 399 D HA -0.075 4.565 4.640 -0.000 0.000 0.198 399 D C 2.434 178.648 176.300 -0.144 0.000 0.990 399 D CA 0.798 54.686 54.000 -0.188 0.000 0.839 399 D CB -0.158 40.607 40.800 -0.059 0.000 0.948 399 D HN 0.382 nan 8.370 nan 0.000 0.460 400 Q N 0.507 120.204 119.800 -0.171 0.000 2.050 400 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 400 Q C 2.050 177.981 176.000 -0.115 0.000 0.980 400 Q CA 0.910 56.643 55.803 -0.117 0.000 0.840 400 Q CB -0.164 28.502 28.738 -0.120 0.000 0.898 400 Q HN 0.422 nan 8.270 nan 0.000 0.424 401 E N 0.028 120.111 120.200 -0.195 0.000 2.031 401 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 401 E C 2.107 178.730 176.600 0.037 0.000 0.994 401 E CA 1.040 57.368 56.400 -0.120 0.000 0.800 401 E CB -0.419 29.187 29.700 -0.156 0.000 0.752 401 E HN 0.585 nan 8.360 nan 0.000 0.447 402 Y N 0.732 121.019 120.300 -0.022 0.000 2.274 402 Y HA -0.101 4.449 4.550 -0.000 0.000 0.290 402 Y C 1.917 177.810 175.900 -0.011 0.000 1.145 402 Y CA 0.334 58.425 58.100 -0.015 0.000 1.203 402 Y CB 0.018 38.471 38.460 -0.011 0.000 0.984 402 Y HN 0.025 nan 8.280 nan 0.000 0.533 403 N N -0.623 118.160 118.700 0.139 0.000 2.336 403 N HA 0.084 4.824 4.740 -0.000 0.000 0.189 403 N C 0.966 176.505 175.510 0.049 0.000 1.113 403 N CA 1.017 54.116 53.050 0.081 0.000 0.858 403 N CB 0.852 39.377 38.487 0.063 0.000 0.970 403 N HN 0.432 nan 8.380 nan 0.000 0.471 404 G N 1.069 109.891 108.800 0.036 0.000 2.173 404 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.174 404 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.174 404 G C 0.827 175.721 174.900 -0.010 0.000 1.025 404 G CA 0.026 45.135 45.100 0.014 0.000 0.706 404 G HN 0.250 nan 8.290 nan 0.000 0.499 405 I N 0.438 120.988 120.570 -0.033 0.000 2.248 405 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 405 I C 2.480 178.531 176.117 -0.111 0.000 1.107 405 I CA 2.062 63.321 61.300 -0.068 0.000 1.373 405 I CB -0.204 37.735 38.000 -0.103 0.000 1.055 405 I HN 0.521 nan 8.210 nan 0.000 0.418 406 I N -0.101 120.405 120.570 -0.107 0.000 2.163 406 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 406 I C 2.692 178.768 176.117 -0.068 0.000 1.081 406 I CA 1.591 62.821 61.300 -0.117 0.000 1.353 406 I CB -0.555 37.391 38.000 -0.089 0.000 1.054 406 I HN 0.219 nan 8.210 nan 0.000 0.407 407 R N 1.302 121.779 120.500 -0.038 0.000 2.092 407 R HA -0.129 4.211 4.340 -0.000 0.000 0.231 407 R C 2.331 178.625 176.300 -0.011 0.000 1.119 407 R CA 1.501 57.589 56.100 -0.020 0.000 0.970 407 R CB -0.032 30.261 30.300 -0.013 0.000 0.864 407 R HN 0.279 nan 8.270 nan 0.000 0.440 408 R N -0.930 119.567 120.500 -0.005 0.000 2.128 408 R HA 0.127 4.467 4.340 -0.000 0.000 0.211 408 R C 2.372 178.691 176.300 0.033 0.000 1.067 408 R CA 0.752 56.862 56.100 0.017 0.000 1.010 408 R CB -0.165 30.152 30.300 0.028 0.000 0.922 408 R HN 0.340 nan 8.270 nan 0.000 0.457 409 G N 1.094 109.900 108.800 0.010 0.000 2.432 409 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 409 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 409 G C 1.504 176.433 174.900 0.049 0.000 1.135 409 G CA 0.808 45.928 45.100 0.033 0.000 0.767 409 G HN 0.377 nan 8.290 nan 0.000 0.550 410 A N 0.687 123.519 122.820 0.019 0.000 2.067 410 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 410 A C 2.246 179.891 177.584 0.102 0.000 1.158 410 A CA 1.744 53.810 52.037 0.049 0.000 0.661 410 A CB -0.284 18.733 19.000 0.029 0.000 0.801 410 A HN 0.408 nan 8.150 nan 0.000 0.452 411 K N -0.418 120.033 120.400 0.085 0.000 2.103 411 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 411 K C 1.832 178.531 176.600 0.164 0.000 1.048 411 K CA 1.272 57.623 56.287 0.106 0.000 0.930 411 K CB -0.321 32.218 32.500 0.065 0.000 0.716 411 K HN 0.494 nan 8.250 nan 0.000 0.444 412 L N 0.979 122.289 121.223 0.144 0.000 2.056 412 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 412 L C 2.160 179.124 176.870 0.156 0.000 1.078 412 L CA 1.110 56.039 54.840 0.149 0.000 0.749 412 L CB -0.165 41.967 42.059 0.122 0.000 0.901 412 L HN 0.225 nan 8.230 nan 0.000 0.433 413 L N -1.410 119.894 121.223 0.135 0.000 2.012 413 L HA -0.330 4.010 4.340 -0.000 0.000 0.210 413 L C 2.507 179.468 176.870 0.151 0.000 1.073 413 L CA 1.815 56.727 54.840 0.120 0.000 0.748 413 L CB -0.824 41.289 42.059 0.090 0.000 0.891 413 L HN 0.256 nan 8.230 nan 0.000 0.431 414 Y N 0.406 120.744 120.300 0.063 0.000 2.114 414 Y HA -0.335 4.215 4.550 -0.000 0.000 0.284 414 Y C 2.530 178.464 175.900 0.056 0.000 1.143 414 Y CA 1.571 59.701 58.100 0.050 0.000 1.135 414 Y CB -0.281 38.200 38.460 0.035 0.000 0.980 414 Y HN 0.134 nan 8.280 nan 0.000 0.499 415 A N -0.383 122.621 122.820 0.306 0.000 1.903 415 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 415 A C 2.145 179.785 177.584 0.093 0.000 1.191 415 A CA 2.148 54.308 52.037 0.205 0.000 0.638 415 A CB -1.660 17.458 19.000 0.196 0.000 0.823 415 A HN 0.733 nan 8.150 nan 0.000 0.451 416 Y N 0.284 120.586 120.300 0.003 0.000 2.184 416 Y HA 0.041 4.591 4.550 0.000 0.000 0.290 416 Y C 2.585 178.440 175.900 -0.075 0.000 1.129 416 Y CA 1.448 59.530 58.100 -0.029 0.000 1.144 416 Y CB -0.677 37.769 38.460 -0.025 0.000 0.995 416 Y HN 0.259 nan 8.280 nan 0.000 0.513 417 G N -0.565 108.249 108.800 0.024 0.000 2.432 417 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 417 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 417 G C 1.534 176.308 174.900 -0.210 0.000 1.135 417 G CA 0.948 45.992 45.100 -0.093 0.000 0.767 417 G HN 0.511 nan 8.290 nan 0.000 0.550 418 E N 0.453 120.490 120.200 -0.272 0.000 2.216 418 E HA 0.247 4.597 4.350 -0.000 0.000 0.192 418 E C 1.514 178.004 176.600 -0.184 0.000 0.988 418 E CA 0.121 56.363 56.400 -0.263 0.000 0.834 418 E CB -0.061 29.464 29.700 -0.292 0.000 0.772 418 E HN 0.329 nan 8.360 nan 0.000 0.479 419 A N 0.682 123.377 122.820 -0.209 0.000 2.498 419 A HA 0.097 4.417 4.320 -0.000 0.000 0.239 419 A C 0.893 178.357 177.584 -0.199 0.000 1.068 419 A CA 0.632 52.543 52.037 -0.209 0.000 0.766 419 A CB 0.348 19.179 19.000 -0.281 0.000 1.003 419 A HN 0.332 nan 8.150 nan 0.000 0.497 420 T N -0.784 113.684 114.554 -0.144 0.000 3.043 420 T HA 0.314 4.664 4.350 -0.000 0.000 0.272 420 T C 0.502 175.148 174.700 -0.090 0.000 0.990 420 T CA 0.489 62.522 62.100 -0.111 0.000 0.897 420 T CB -1.259 67.560 68.868 -0.081 0.000 1.111 420 T HN 1.215 nan 8.240 nan 0.000 0.529 421 V N -0.443 119.415 119.914 -0.093 0.000 3.237 421 V HA 0.441 4.561 4.120 -0.000 0.000 0.305 421 V C -2.689 173.369 176.094 -0.059 0.000 1.096 421 V CA -2.314 59.950 62.300 -0.060 0.000 1.130 421 V CB -0.424 31.372 31.823 -0.044 0.000 1.048 421 V HN -0.026 nan 8.190 nan 0.000 0.484 422 P HA 0.152 nan 4.420 nan 0.000 0.261 422 P C -0.872 176.422 177.300 -0.011 0.000 1.173 422 P CA 0.555 63.651 63.100 -0.006 0.000 0.760 422 P CB 0.094 31.807 31.700 0.021 0.000 0.783 423 K N 3.762 124.156 120.400 -0.010 0.000 2.450 423 K HA 0.564 4.884 4.320 -0.000 0.000 0.257 423 K C -0.525 176.125 176.600 0.083 0.000 0.953 423 K CA -0.366 55.933 56.287 0.020 0.000 0.844 423 K CB 1.375 33.829 32.500 -0.076 0.000 1.103 423 K HN 0.375 nan 8.250 nan 0.000 0.429 424 I N 2.070 122.702 120.570 0.104 0.000 2.466 424 I HA 0.288 4.458 4.170 -0.000 0.000 0.289 424 I C -0.622 175.545 176.117 0.083 0.000 1.026 424 I CA -0.576 60.781 61.300 0.095 0.000 1.078 424 I CB 2.404 40.458 38.000 0.091 0.000 1.249 424 I HN 0.472 nan 8.210 nan 0.000 0.429 425 T N 5.367 119.954 114.554 0.055 0.000 2.824 425 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 425 T C -0.560 174.119 174.700 -0.036 0.000 0.993 425 T CA -0.515 61.584 62.100 -0.001 0.000 0.967 425 T CB 2.089 70.938 68.868 -0.031 0.000 0.960 425 T HN 0.170 nan 8.240 nan 0.000 0.441 426 V N 4.507 124.362 119.914 -0.098 0.000 2.376 426 V HA 0.443 4.562 4.120 -0.000 0.000 0.287 426 V C -0.146 175.771 176.094 -0.295 0.000 1.015 426 V CA -0.820 61.372 62.300 -0.180 0.000 0.834 426 V CB 1.149 32.855 31.823 -0.195 0.000 1.001 426 V HN 0.823 nan 8.190 nan 0.000 0.428 427 I N 4.678 125.090 120.570 -0.263 0.000 2.322 427 I HA 0.151 4.321 4.170 -0.000 0.000 0.292 427 I C 1.739 177.577 176.117 -0.465 0.000 1.060 427 I CA 0.116 61.246 61.300 -0.283 0.000 1.309 427 I CB 1.586 39.499 38.000 -0.144 0.000 1.415 427 I HN 0.830 nan 8.210 nan 0.000 0.492 428 T N 3.107 117.300 114.554 -0.601 0.000 2.978 428 T HA 0.071 4.421 4.350 -0.000 0.000 0.262 428 T C 1.306 175.879 174.700 -0.212 0.000 1.063 428 T CA 0.615 62.257 62.100 -0.763 0.000 1.140 428 T CB 0.390 68.672 68.868 -0.977 0.000 0.886 428 T HN 0.661 nan 8.240 nan 0.000 0.470 429 R N 0.032 120.437 120.500 -0.160 0.000 2.969 429 R HA 0.387 4.727 4.340 -0.000 0.000 0.094 429 R C -0.894 175.311 176.300 -0.158 0.000 0.687 429 R CA -0.650 55.402 56.100 -0.080 0.000 0.508 429 R CB 0.332 30.645 30.300 0.020 0.000 0.445 429 R HN -0.022 nan 8.270 nan 0.000 0.332 430 K N 0.655 120.926 120.400 -0.215 0.000 2.326 430 K HA 0.425 4.745 4.320 -0.000 0.000 0.275 430 K C -1.196 175.169 176.600 -0.391 0.000 1.018 430 K CA 0.386 56.407 56.287 -0.443 0.000 0.962 430 K CB 1.549 33.734 32.500 -0.524 0.000 0.953 430 K HN 0.462 nan 8.250 nan 0.000 0.475 431 A N 4.384 126.929 122.820 -0.457 0.000 2.768 431 A HA 0.310 4.630 4.320 -0.000 0.000 0.298 431 A C -1.602 175.953 177.584 -0.048 0.000 1.159 431 A CA -0.616 51.317 52.037 -0.173 0.000 0.783 431 A CB 0.188 19.222 19.000 0.057 0.000 1.333 431 A HN 0.705 nan 8.150 nan 0.000 0.412 432 Y N 1.265 121.580 120.300 0.025 0.000 2.360 432 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 432 Y C 1.346 177.279 175.900 0.054 0.000 1.039 432 Y CA 0.085 58.199 58.100 0.023 0.000 1.109 432 Y CB 1.969 40.431 38.460 0.004 0.000 1.201 432 Y HN 1.244 nan 8.280 nan 0.000 0.458 433 G N 1.665 110.611 108.800 0.242 0.000 2.564 433 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.273 433 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.273 433 G C 1.163 176.199 174.900 0.226 0.000 1.242 433 G CA -0.030 45.181 45.100 0.184 0.000 0.951 433 G HN 1.096 nan 8.290 nan 0.000 0.564 434 G N -0.270 108.680 108.800 0.249 0.000 2.462 434 G HA2 0.225 4.185 3.960 -0.000 0.000 0.220 434 G HA3 0.225 4.185 3.960 -0.000 0.000 0.220 434 G C 2.024 177.091 174.900 0.278 0.000 1.121 434 G CA 2.749 48.029 45.100 0.299 0.000 0.758 434 G HN 1.879 nan 8.290 nan 0.000 0.559 435 A N 0.042 122.916 122.820 0.089 0.000 1.968 435 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 435 A C 2.075 179.586 177.584 -0.122 0.000 1.169 435 A CA 1.459 53.333 52.037 -0.272 0.000 0.638 435 A CB -0.567 18.063 19.000 -0.616 0.000 0.812 435 A HN 0.508 nan 8.150 nan 0.000 0.446 436 Y N 0.542 120.787 120.300 -0.092 0.000 2.114 436 Y HA -0.347 4.203 4.550 -0.000 0.000 0.282 436 Y C 2.409 178.253 175.900 -0.093 0.000 1.165 436 Y CA 1.804 59.853 58.100 -0.086 0.000 1.148 436 Y CB -0.907 37.536 38.460 -0.028 0.000 0.972 436 Y HN 0.367 nan 8.280 nan 0.000 0.504 437 C N -0.743 118.409 119.300 -0.248 0.000 2.429 437 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 437 C C 2.805 177.595 174.990 -0.333 0.000 1.262 437 C CA 1.063 59.881 59.018 -0.334 0.000 1.733 437 C CB -1.329 26.374 27.740 -0.060 0.000 2.010 437 C HN 0.532 nan 8.230 nan 0.000 0.483 438 V N 0.388 120.186 119.914 -0.193 0.000 2.358 438 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 438 V C 1.536 177.431 176.094 -0.333 0.000 1.047 438 V CA 1.350 63.551 62.300 -0.165 0.000 1.035 438 V CB -0.430 31.392 31.823 -0.002 0.000 0.658 438 V HN 0.522 nan 8.190 nan 0.000 0.452 439 M N 0.858 120.240 119.600 -0.363 0.000 3.690 439 M HA 0.320 4.800 4.480 -0.000 0.000 0.209 439 M C 1.169 177.171 176.300 -0.496 0.000 1.403 439 M CA 0.345 55.417 55.300 -0.379 0.000 1.621 439 M CB -0.919 31.519 32.600 -0.270 0.000 1.056 439 M HN 0.471 nan 8.290 nan 0.000 0.593 440 G N 1.765 110.091 108.800 -0.790 0.000 2.272 440 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.280 440 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.280 440 G C 0.273 174.908 174.900 -0.441 0.000 1.067 440 G CA 0.486 45.102 45.100 -0.808 0.000 0.902 440 G HN 0.737 nan 8.290 nan 0.000 0.500 441 S N -0.927 114.446 115.700 -0.546 0.000 2.576 441 S HA 0.492 4.962 4.470 -0.000 0.000 0.276 441 S C 1.571 176.040 174.600 -0.217 0.000 1.339 441 S CA 0.480 58.350 58.200 -0.551 0.000 1.039 441 S CB 1.917 64.545 63.200 -0.954 0.000 0.902 441 S HN 0.652 nan 8.310 nan 0.000 0.516 442 K N 1.688 122.020 120.400 -0.113 0.000 2.077 442 K HA -0.230 4.090 4.320 -0.000 0.000 0.213 442 K C 1.102 177.671 176.600 -0.051 0.000 1.051 442 K CA 2.460 58.731 56.287 -0.026 0.000 0.929 442 K CB -0.682 31.843 32.500 0.041 0.000 0.715 442 K HN 0.770 nan 8.250 nan 0.000 0.451 443 D N -0.656 119.661 120.400 -0.140 0.000 2.363 443 D HA -0.061 4.579 4.640 -0.000 0.000 0.220 443 D C 1.080 177.343 176.300 -0.061 0.000 0.994 443 D CA 0.443 54.382 54.000 -0.101 0.000 0.890 443 D CB 0.139 40.848 40.800 -0.152 0.000 0.906 443 D HN 0.258 nan 8.370 nan 0.000 0.530 444 M N -0.419 119.148 119.600 -0.056 0.000 2.628 444 M HA 0.112 4.592 4.480 -0.000 0.000 0.232 444 M C 1.023 177.391 176.300 0.113 0.000 1.128 444 M CA 0.254 55.572 55.300 0.030 0.000 1.040 444 M CB -0.160 32.449 32.600 0.014 0.000 1.608 444 M HN 0.083 nan 8.290 nan 0.000 0.507 445 G N 0.676 109.513 108.800 0.063 0.000 2.142 445 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.225 445 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.225 445 G C 0.195 175.127 174.900 0.054 0.000 1.015 445 G CA 0.070 45.188 45.100 0.030 0.000 0.716 445 G HN 0.524 nan 8.290 nan 0.000 0.508 446 C N 0.621 120.018 119.300 0.162 0.000 2.662 446 C HA 0.440 4.900 4.460 -0.000 0.000 0.420 446 C C 1.805 176.841 174.990 0.075 0.000 1.314 446 C CA 0.376 59.493 59.018 0.165 0.000 1.963 446 C CB 0.032 27.883 27.740 0.185 0.000 2.686 446 C HN 0.531 nan 8.230 nan 0.000 0.609 447 D N 2.065 122.500 120.400 0.057 0.000 2.162 447 D HA 0.068 4.708 4.640 -0.000 0.000 0.205 447 D C 0.117 176.457 176.300 0.067 0.000 0.964 447 D CA 1.348 55.376 54.000 0.047 0.000 0.847 447 D CB 0.189 41.007 40.800 0.031 0.000 0.988 447 D HN 0.403 nan 8.370 nan 0.000 0.480 448 V N 1.183 121.144 119.914 0.080 0.000 2.569 448 V HA 0.288 4.408 4.120 -0.000 0.000 0.301 448 V C -1.020 175.126 176.094 0.088 0.000 1.044 448 V CA -0.830 61.526 62.300 0.093 0.000 0.874 448 V CB 1.947 33.836 31.823 0.109 0.000 1.002 448 V HN -0.082 nan 8.190 nan 0.000 0.424 449 N N 4.357 123.108 118.700 0.086 0.000 2.354 449 N HA 0.786 5.526 4.740 -0.000 0.000 0.287 449 N C -1.410 174.130 175.510 0.051 0.000 1.016 449 N CA -0.525 52.566 53.050 0.068 0.000 0.871 449 N CB 1.824 40.363 38.487 0.087 0.000 1.299 449 N HN 0.357 nan 8.380 nan 0.000 0.482 450 L N 1.406 122.638 121.223 0.014 0.000 2.333 450 L HA 0.930 5.270 4.340 -0.000 0.000 0.263 450 L C -0.671 176.176 176.870 -0.039 0.000 1.014 450 L CA -1.121 53.704 54.840 -0.024 0.000 0.820 450 L CB 1.685 43.716 42.059 -0.046 0.000 1.352 450 L HN 0.645 nan 8.230 nan 0.000 0.421 451 A N 0.198 123.002 122.820 -0.027 0.000 2.547 451 A HA 0.701 5.021 4.320 -0.000 0.000 0.297 451 A C -1.838 175.822 177.584 0.126 0.000 1.056 451 A CA -0.571 51.449 52.037 -0.028 0.000 0.688 451 A CB 0.849 19.809 19.000 -0.068 0.000 1.282 451 A HN 0.456 nan 8.150 nan 0.000 0.400 452 W N 1.335 122.554 121.300 -0.136 0.000 2.183 452 W HA 0.464 5.124 4.660 -0.000 0.000 0.348 452 W C -1.903 174.530 176.519 -0.144 0.000 1.257 452 W CA -1.704 55.560 57.345 -0.135 0.000 1.324 452 W CB -0.187 29.202 29.460 -0.118 0.000 1.144 452 W HN 0.491 nan 8.180 nan 0.000 0.622 453 P HA -0.109 nan 4.420 nan 0.000 0.226 453 P C 1.152 178.467 177.300 0.024 0.000 1.153 453 P CA 1.867 64.976 63.100 0.015 0.000 0.777 453 P CB -0.080 31.630 31.700 0.016 0.000 0.794 454 T N -3.987 110.613 114.554 0.077 0.000 3.169 454 T HA 0.414 4.764 4.350 -0.000 0.000 0.250 454 T C 0.859 175.573 174.700 0.023 0.000 1.111 454 T CA -0.359 61.778 62.100 0.061 0.000 1.010 454 T CB -0.621 68.299 68.868 0.087 0.000 0.984 454 T HN 0.014 nan 8.240 nan 0.000 0.537 455 A N 1.495 124.307 122.820 -0.013 0.000 2.462 455 A HA 0.443 4.763 4.320 -0.000 0.000 0.243 455 A C 0.211 177.749 177.584 -0.077 0.000 1.076 455 A CA -0.390 51.603 52.037 -0.072 0.000 0.773 455 A CB 0.171 19.112 19.000 -0.099 0.000 1.010 455 A HN 0.590 nan 8.150 nan 0.000 0.493 456 Q N 1.736 121.484 119.800 -0.087 0.000 2.616 456 Q HA 0.414 4.754 4.340 -0.000 0.000 0.250 456 Q C -1.479 174.497 176.000 -0.040 0.000 0.991 456 Q CA 0.128 55.915 55.803 -0.025 0.000 0.707 456 Q CB 1.342 30.086 28.738 0.010 0.000 1.247 456 Q HN 0.719 nan 8.270 nan 0.000 0.491 457 I N 1.733 122.297 120.570 -0.009 0.000 2.328 457 I HA 0.762 4.932 4.170 -0.000 0.000 0.287 457 I C -0.213 175.921 176.117 0.030 0.000 1.012 457 I CA -0.501 60.772 61.300 -0.045 0.000 1.195 457 I CB 1.346 39.261 38.000 -0.141 0.000 1.350 457 I HN 0.474 nan 8.210 nan 0.000 0.464 458 A N 4.632 127.549 122.820 0.161 0.000 2.610 458 A HA 0.558 4.878 4.320 -0.000 0.000 0.291 458 A C 0.466 178.118 177.584 0.114 0.000 1.086 458 A CA -0.532 51.591 52.037 0.144 0.000 0.677 458 A CB 1.109 20.235 19.000 0.210 0.000 1.278 458 A HN 0.334 nan 8.150 nan 0.000 0.414 459 V N 0.307 120.249 119.914 0.046 0.000 2.332 459 V HA -0.077 4.043 4.120 -0.000 0.000 0.248 459 V C 0.969 177.041 176.094 -0.038 0.000 1.055 459 V CA 2.828 65.136 62.300 0.013 0.000 1.038 459 V CB -1.240 30.573 31.823 -0.017 0.000 0.651 459 V HN 0.959 nan 8.190 nan 0.000 0.450 460 M N -2.845 116.659 119.600 -0.159 0.000 2.949 460 M HA 0.649 5.129 4.480 -0.000 0.000 0.270 460 M C -0.169 175.730 176.300 -0.669 0.000 1.221 460 M CA -0.416 54.650 55.300 -0.390 0.000 0.818 460 M CB 1.332 33.796 32.600 -0.227 0.000 1.635 460 M HN -0.036 nan 8.290 nan 0.000 0.492 461 G N 0.284 108.586 108.800 -0.830 0.000 2.491 461 G HA2 0.424 4.384 3.960 -0.000 0.000 0.238 461 G HA3 0.424 4.384 3.960 -0.000 0.000 0.238 461 G C 0.841 175.572 174.900 -0.281 0.000 1.277 461 G CA -0.071 44.669 45.100 -0.599 0.000 0.851 461 G HN 1.129 nan 8.290 nan 0.000 0.573 462 A N 1.642 124.395 122.820 -0.113 0.000 1.915 462 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 462 A C 2.825 180.313 177.584 -0.160 0.000 1.198 462 A CA 3.208 55.184 52.037 -0.102 0.000 0.647 462 A CB -0.981 18.100 19.000 0.135 0.000 0.825 462 A HN 1.493 nan 8.150 nan 0.000 0.456 463 S N -0.580 115.073 115.700 -0.079 0.000 2.356 463 S HA 0.009 4.479 4.470 -0.000 0.000 0.223 463 S C 2.099 176.656 174.600 -0.072 0.000 1.032 463 S CA 1.695 59.861 58.200 -0.056 0.000 1.005 463 S CB -1.250 61.933 63.200 -0.027 0.000 0.867 463 S HN 0.812 nan 8.310 nan 0.000 0.449 464 G N 1.142 109.900 108.800 -0.070 0.000 2.408 464 G HA2 0.113 4.073 3.960 -0.000 0.000 0.217 464 G HA3 0.113 4.073 3.960 -0.000 0.000 0.217 464 G C 1.717 176.654 174.900 0.062 0.000 1.150 464 G CA 0.861 45.960 45.100 -0.001 0.000 0.776 464 G HN 0.834 nan 8.290 nan 0.000 0.542 465 A N 0.709 123.455 122.820 -0.123 0.000 1.902 465 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 465 A C 2.720 180.193 177.584 -0.186 0.000 1.181 465 A CA 2.464 54.360 52.037 -0.235 0.000 0.623 465 A CB -0.857 17.638 19.000 -0.842 0.000 0.818 465 A HN 0.902 nan 8.150 nan 0.000 0.443 466 V N -1.565 118.240 119.914 -0.182 0.000 2.407 466 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 466 V C 2.348 178.487 176.094 0.076 0.000 1.055 466 V CA 2.038 64.373 62.300 0.059 0.000 1.049 466 V CB -1.882 30.058 31.823 0.195 0.000 0.662 466 V HN 0.417 nan 8.190 nan 0.000 0.455 467 G N -0.211 108.555 108.800 -0.057 0.000 2.469 467 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 467 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 467 G C 1.331 176.071 174.900 -0.267 0.000 1.136 467 G CA 1.453 46.433 45.100 -0.199 0.000 0.759 467 G HN 0.591 nan 8.290 nan 0.000 0.562 468 F N -0.368 119.534 119.950 -0.081 0.000 2.179 468 F HA 0.145 4.672 4.527 0.000 0.000 0.292 468 F C 2.692 178.420 175.800 -0.119 0.000 1.089 468 F CA 0.303 58.251 58.000 -0.087 0.000 1.295 468 F CB -0.523 38.417 39.000 -0.100 0.000 1.041 468 F HN -0.043 nan 8.300 nan 0.000 0.487 469 V N -1.147 118.766 119.914 -0.001 0.000 2.626 469 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 469 V C 0.108 175.940 176.094 -0.437 0.000 1.067 469 V CA 1.278 63.423 62.300 -0.259 0.000 1.081 469 V CB -0.606 30.989 31.823 -0.380 0.000 0.686 469 V HN 0.176 nan 8.190 nan 0.000 0.468 489 L N 0.571 121.777 121.223 -0.028 0.000 2.418 489 L HA 0.310 4.650 4.340 -0.000 0.000 0.218 489 L C 2.534 179.397 176.870 -0.011 0.000 1.125 489 L CA 0.969 55.802 54.840 -0.012 0.000 0.835 489 L CB -0.182 41.873 42.059 -0.008 0.000 0.953 489 L HN 0.254 nan 8.230 nan 0.000 0.454 490 R N -0.005 120.475 120.500 -0.032 0.000 2.080 490 R HA -0.092 4.248 4.340 -0.000 0.000 0.222 490 R C 2.207 178.474 176.300 -0.055 0.000 1.107 490 R CA 0.777 56.854 56.100 -0.038 0.000 0.980 490 R CB 0.095 30.364 30.300 -0.052 0.000 0.879 490 R HN 0.143 nan 8.270 nan 0.000 0.439 491 L N 1.581 122.736 121.223 -0.113 0.000 2.017 491 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 491 L C 2.525 179.416 176.870 0.035 0.000 1.073 491 L CA 1.771 56.494 54.840 -0.195 0.000 0.745 491 L CB -1.122 40.721 42.059 -0.360 0.000 0.894 491 L HN 0.316 nan 8.230 nan 0.000 0.432 492 Q N -1.022 118.808 119.800 0.049 0.000 2.084 492 Q HA -0.251 4.089 4.340 -0.000 0.000 0.202 492 Q C 2.198 178.278 176.000 0.134 0.000 0.978 492 Q CA 1.627 57.491 55.803 0.101 0.000 0.844 492 Q CB -0.066 28.699 28.738 0.046 0.000 0.898 492 Q HN 0.506 nan 8.270 nan 0.000 0.426 493 Q N 0.551 120.400 119.800 0.082 0.000 2.119 493 Q HA -0.188 4.152 4.340 -0.000 0.000 0.201 493 Q C 1.344 177.399 176.000 0.091 0.000 0.972 493 Q CA 1.607 57.456 55.803 0.076 0.000 0.847 493 Q CB 0.063 28.826 28.738 0.041 0.000 0.903 493 Q HN 0.517 nan 8.270 nan 0.000 0.433 494 E N -0.711 119.545 120.200 0.093 0.000 2.107 494 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 494 E C 1.813 178.499 176.600 0.144 0.000 0.982 494 E CA 0.880 57.336 56.400 0.094 0.000 0.809 494 E CB -0.227 29.513 29.700 0.067 0.000 0.756 494 E HN 0.353 nan 8.360 nan 0.000 0.459 495 Y N 2.761 123.127 120.300 0.110 0.000 2.114 495 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 495 Y C 2.340 178.287 175.900 0.078 0.000 1.143 495 Y CA 2.172 60.344 58.100 0.121 0.000 1.135 495 Y CB -0.013 38.539 38.460 0.154 0.000 0.980 495 Y HN 0.053 nan 8.280 nan 0.000 0.499 496 E N -0.960 119.404 120.200 0.273 0.000 2.077 496 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 496 E C 1.210 177.858 176.600 0.080 0.000 0.989 496 E CA 1.655 58.161 56.400 0.177 0.000 0.800 496 E CB -0.513 29.290 29.700 0.172 0.000 0.746 496 E HN 0.450 nan 8.360 nan 0.000 0.452 497 D N 0.250 120.689 120.400 0.065 0.000 2.347 497 D HA -0.005 4.635 4.640 -0.000 0.000 0.215 497 D C 1.286 177.596 176.300 0.016 0.000 0.976 497 D CA 0.888 54.914 54.000 0.043 0.000 0.884 497 D CB 0.286 41.111 40.800 0.041 0.000 0.915 497 D HN 0.197 nan 8.370 nan 0.000 0.526 498 T N -0.344 114.196 114.554 -0.023 0.000 3.042 498 T HA 0.090 4.440 4.350 -0.000 0.000 0.245 498 T C 1.309 175.947 174.700 -0.103 0.000 1.029 498 T CA 0.176 62.240 62.100 -0.060 0.000 1.120 498 T CB 0.723 69.541 68.868 -0.083 0.000 0.917 498 T HN -0.026 nan 8.240 nan 0.000 0.467 499 L N 0.217 121.327 121.223 -0.189 0.000 2.854 499 L HA 0.412 4.752 4.340 -0.000 0.000 0.249 499 L C 0.178 176.977 176.870 -0.117 0.000 1.091 499 L CA 0.499 55.190 54.840 -0.249 0.000 0.935 499 L CB 0.501 42.184 42.059 -0.625 0.000 1.367 499 L HN -0.018 nan 8.230 nan 0.000 0.524 500 V N 3.859 123.752 119.914 -0.034 0.000 2.222 500 V HA 0.347 4.467 4.120 -0.000 0.000 0.253 500 V C -0.064 176.074 176.094 0.072 0.000 1.210 500 V CA -0.191 62.163 62.300 0.090 0.000 1.079 500 V CB -1.119 30.820 31.823 0.193 0.000 1.265 500 V HN 0.582 nan 8.190 nan 0.000 0.494 501 N N 3.518 122.235 118.700 0.028 0.000 3.261 501 N HA 0.332 5.072 4.740 -0.000 0.000 0.248 501 N C -2.938 172.486 175.510 -0.143 0.000 1.498 501 N CA -1.282 51.754 53.050 -0.023 0.000 0.884 501 N CB 1.968 40.506 38.487 0.084 0.000 1.428 501 N HN -0.014 nan 8.380 nan 0.000 0.517 502 P HA 0.102 nan 4.420 nan 0.000 0.240 502 P C 0.550 177.599 177.300 -0.420 0.000 1.190 502 P CA 0.831 63.662 63.100 -0.447 0.000 0.781 502 P CB -0.168 31.173 31.700 -0.598 0.000 0.931 503 Y N -0.808 119.476 120.300 -0.027 0.000 2.337 503 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 503 Y C 2.414 178.276 175.900 -0.062 0.000 1.123 503 Y CA 0.505 58.582 58.100 -0.038 0.000 1.201 503 Y CB -1.463 36.977 38.460 -0.034 0.000 1.011 503 Y HN -0.257 nan 8.280 nan 0.000 0.545 504 V N -0.089 119.845 119.914 0.033 0.000 2.358 504 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 504 V C 2.527 178.551 176.094 -0.117 0.000 1.047 504 V CA 1.748 64.022 62.300 -0.043 0.000 1.035 504 V CB -1.313 30.471 31.823 -0.066 0.000 0.658 504 V HN 0.434 nan 8.190 nan 0.000 0.452 505 A N 0.097 122.848 122.820 -0.115 0.000 1.902 505 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 505 A C 2.446 179.973 177.584 -0.095 0.000 1.181 505 A CA 1.994 53.954 52.037 -0.128 0.000 0.623 505 A CB -0.808 18.178 19.000 -0.024 0.000 0.818 505 A HN 0.564 nan 8.150 nan 0.000 0.443 506 A N 0.013 122.807 122.820 -0.043 0.000 1.908 506 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 506 A C 1.892 179.471 177.584 -0.007 0.000 1.181 506 A CA 1.830 53.870 52.037 0.006 0.000 0.627 506 A CB -0.582 18.454 19.000 0.059 0.000 0.818 506 A HN 0.651 nan 8.150 nan 0.000 0.445 507 E N -0.745 119.438 120.200 -0.028 0.000 2.204 507 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 507 E C 1.943 178.473 176.600 -0.118 0.000 0.989 507 E CA 0.661 57.032 56.400 -0.049 0.000 0.824 507 E CB -0.061 29.616 29.700 -0.038 0.000 0.756 507 E HN 0.392 nan 8.360 nan 0.000 0.477 508 R N -0.414 119.935 120.500 -0.251 0.000 2.307 508 R HA 0.049 4.389 4.340 -0.000 0.000 0.199 508 R C 1.359 177.506 176.300 -0.256 0.000 1.000 508 R CA 0.846 56.699 56.100 -0.412 0.000 1.023 508 R CB 0.146 29.810 30.300 -1.059 0.000 0.908 508 R HN 0.321 nan 8.270 nan 0.000 0.473 509 G N 0.501 109.240 108.800 -0.101 0.000 2.159 509 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.256 509 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.256 509 G C 0.749 175.778 174.900 0.215 0.000 0.977 509 G CA 0.345 45.479 45.100 0.057 0.000 0.652 509 G HN 0.487 nan 8.290 nan 0.000 0.531 510 Y N -0.326 120.009 120.300 0.059 0.000 2.314 510 Y HA 0.156 4.706 4.550 -0.000 0.000 0.293 510 Y C 1.981 177.933 175.900 0.087 0.000 1.129 510 Y CA 0.862 59.019 58.100 0.094 0.000 1.201 510 Y CB 0.235 38.768 38.460 0.122 0.000 0.999 510 Y HN 0.502 nan 8.280 nan 0.000 0.541 511 V N -1.104 118.931 119.914 0.202 0.000 2.483 511 V HA 0.614 4.734 4.120 -0.000 0.000 0.295 511 V C 0.789 176.940 176.094 0.095 0.000 1.035 511 V CA -0.171 62.201 62.300 0.119 0.000 0.896 511 V CB 1.437 33.297 31.823 0.061 0.000 0.986 511 V HN 0.219 nan 8.190 nan 0.000 0.447 512 G N 3.429 112.285 108.800 0.092 0.000 2.464 512 G HA2 0.499 4.459 3.960 -0.000 0.000 0.217 512 G HA3 0.499 4.459 3.960 -0.000 0.000 0.217 512 G C 0.531 175.484 174.900 0.090 0.000 1.138 512 G CA 0.562 45.719 45.100 0.095 0.000 0.793 512 G HN 1.748 nan 8.290 nan 0.000 0.539 513 A N -0.653 122.201 122.820 0.057 0.000 2.532 513 A HA 0.555 4.875 4.320 -0.000 0.000 0.296 513 A C -1.216 176.350 177.584 -0.030 0.000 1.058 513 A CA -0.472 51.584 52.037 0.031 0.000 0.729 513 A CB 1.379 20.405 19.000 0.044 0.000 1.285 513 A HN 0.331 nan 8.150 nan 0.000 0.396 514 V N 3.454 123.361 119.914 -0.012 0.000 2.432 514 V HA 0.579 4.699 4.120 -0.000 0.000 0.275 514 V C 0.189 176.249 176.094 -0.057 0.000 1.043 514 V CA 0.040 62.317 62.300 -0.038 0.000 0.925 514 V CB 0.521 32.320 31.823 -0.040 0.000 0.985 514 V HN 0.835 nan 8.190 nan 0.000 0.466 515 I N 2.699 123.210 120.570 -0.098 0.000 2.828 515 I HA 0.714 4.884 4.170 -0.000 0.000 0.302 515 I C -2.942 173.010 176.117 -0.275 0.000 1.101 515 I CA -3.003 58.172 61.300 -0.209 0.000 1.031 515 I CB 2.424 40.195 38.000 -0.381 0.000 1.231 515 I HN 0.311 nan 8.210 nan 0.000 0.427 516 P HA 0.193 nan 4.420 nan 0.000 0.268 516 P C -2.172 174.801 177.300 -0.546 0.000 1.204 516 P CA -0.910 61.887 63.100 -0.505 0.000 0.768 516 P CB 0.146 31.442 31.700 -0.674 0.000 0.842 517 P HA -0.263 nan 4.420 nan 0.000 0.216 517 P C 1.457 178.420 177.300 -0.561 0.000 1.154 517 P CA 1.960 64.220 63.100 -1.399 0.000 0.865 517 P CB -0.393 30.204 31.700 -1.839 0.000 0.789 518 S N -2.146 113.372 115.700 -0.302 0.000 2.440 518 S HA -0.216 4.254 4.470 -0.000 0.000 0.238 518 S C 1.559 176.253 174.600 0.156 0.000 1.010 518 S CA 1.296 59.475 58.200 -0.035 0.000 0.972 518 S CB -1.490 61.725 63.200 0.025 0.000 0.774 518 S HN 0.249 nan 8.310 nan 0.000 0.501 519 H N 1.277 120.329 119.070 -0.031 0.000 2.547 519 H HA 0.272 4.828 4.556 -0.000 0.000 0.266 519 H C 1.979 177.437 175.328 0.217 0.000 0.988 519 H CA 0.724 56.846 56.048 0.123 0.000 1.147 519 H CB -0.692 29.187 29.762 0.196 0.000 1.365 519 H HN 0.421 nan 8.280 nan 0.000 0.589 520 T N -0.128 114.578 114.554 0.255 0.000 2.674 520 T HA -0.173 4.177 4.350 -0.000 0.000 0.265 520 T C 2.118 176.969 174.700 0.251 0.000 1.039 520 T CA 1.327 63.593 62.100 0.275 0.000 1.150 520 T CB 0.096 69.186 68.868 0.370 0.000 0.864 520 T HN 0.356 nan 8.240 nan 0.000 0.427 521 R N 0.644 121.259 120.500 0.192 0.000 2.094 521 R HA -0.131 4.209 4.340 -0.000 0.000 0.239 521 R C 2.702 179.087 176.300 0.140 0.000 1.137 521 R CA 1.919 58.106 56.100 0.146 0.000 0.943 521 R CB -0.882 29.482 30.300 0.106 0.000 0.850 521 R HN 0.456 nan 8.270 nan 0.000 0.433 522 G N -0.505 108.375 108.800 0.134 0.000 2.446 522 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 522 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 522 G C 1.140 176.101 174.900 0.102 0.000 1.168 522 G CA 0.944 46.092 45.100 0.081 0.000 0.771 522 G HN 0.379 nan 8.290 nan 0.000 0.551 523 Y N 0.742 121.086 120.300 0.073 0.000 2.165 523 Y HA -0.061 4.489 4.550 -0.000 0.000 0.286 523 Y C 2.809 178.753 175.900 0.075 0.000 1.155 523 Y CA 1.177 59.327 58.100 0.082 0.000 1.164 523 Y CB -0.179 38.349 38.460 0.113 0.000 0.978 523 Y HN 0.138 nan 8.280 nan 0.000 0.513 524 I N -1.024 119.700 120.570 0.257 0.000 2.179 524 I HA -0.282 3.887 4.170 -0.000 0.000 0.242 524 I C 2.667 178.854 176.117 0.117 0.000 1.088 524 I CA 1.522 62.923 61.300 0.169 0.000 1.357 524 I CB -1.012 37.075 38.000 0.145 0.000 1.051 524 I HN 0.270 nan 8.210 nan 0.000 0.409 525 G N 0.108 108.967 108.800 0.098 0.000 2.442 525 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 525 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 525 G C 1.658 176.586 174.900 0.046 0.000 1.141 525 G CA 1.426 46.566 45.100 0.067 0.000 0.763 525 G HN 0.296 nan 8.290 nan 0.000 0.554 526 T N 1.388 115.961 114.554 0.032 0.000 2.777 526 T HA 0.101 4.451 4.350 -0.000 0.000 0.266 526 T C 2.814 177.529 174.700 0.026 0.000 1.040 526 T CA 1.326 63.429 62.100 0.005 0.000 1.141 526 T CB -0.263 68.571 68.868 -0.057 0.000 0.868 526 T HN 0.361 nan 8.240 nan 0.000 0.444 527 A N 1.133 123.989 122.820 0.059 0.000 1.930 527 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 527 A C 2.274 179.893 177.584 0.059 0.000 1.175 527 A CA 1.006 53.086 52.037 0.071 0.000 0.627 527 A CB -0.773 18.294 19.000 0.112 0.000 0.815 527 A HN 0.452 nan 8.150 nan 0.000 0.443 528 L N -1.088 120.172 121.223 0.062 0.000 2.046 528 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 528 L C 2.812 179.706 176.870 0.040 0.000 1.077 528 L CA 1.777 56.650 54.840 0.054 0.000 0.747 528 L CB -0.437 41.658 42.059 0.061 0.000 0.896 528 L HN 0.454 nan 8.230 nan 0.000 0.432 529 R N 0.253 120.774 120.500 0.035 0.000 2.073 529 R HA -0.212 4.128 4.340 -0.000 0.000 0.234 529 R C 2.367 178.681 176.300 0.023 0.000 1.134 529 R CA 1.515 57.631 56.100 0.026 0.000 0.952 529 R CB -0.341 29.971 30.300 0.020 0.000 0.850 529 R HN 0.174 nan 8.270 nan 0.000 0.433 530 L N 1.087 122.324 121.223 0.023 0.000 2.043 530 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 530 L C 1.627 178.510 176.870 0.023 0.000 1.075 530 L CA 1.789 56.642 54.840 0.022 0.000 0.752 530 L CB -0.166 41.909 42.059 0.027 0.000 0.891 530 L HN 0.245 nan 8.230 nan 0.000 0.432 531 L N -0.463 120.776 121.223 0.027 0.000 2.628 531 L HA 0.073 4.413 4.340 -0.000 0.000 0.229 531 L C 2.021 178.902 176.870 0.018 0.000 1.137 531 L CA 0.254 55.108 54.840 0.023 0.000 0.909 531 L CB -0.415 41.660 42.059 0.027 0.000 1.137 531 L HN 0.405 nan 8.230 nan 0.000 0.470 532 E N 0.661 120.873 120.200 0.020 0.000 2.418 532 E HA -0.167 4.183 4.350 -0.000 0.000 0.197 532 E C 1.457 178.065 176.600 0.014 0.000 1.026 532 E CA 0.501 56.913 56.400 0.019 0.000 0.862 532 E CB 0.159 29.872 29.700 0.021 0.000 0.799 532 E HN 0.305 nan 8.360 nan 0.000 0.518 533 R N 1.109 121.615 120.500 0.011 0.000 2.795 533 R HA 0.205 4.545 4.340 -0.000 0.000 0.320 533 R C -0.542 175.760 176.300 0.004 0.000 1.223 533 R CA -0.318 55.787 56.100 0.007 0.000 1.305 533 R CB 0.414 30.719 30.300 0.008 0.000 1.318 533 R HN -0.066 nan 8.270 nan 0.000 0.636 542 K N 0.429 120.766 120.400 -0.104 0.000 2.152 542 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 542 K C -0.182 176.451 176.600 0.054 0.000 1.048 542 K CA 2.285 58.540 56.287 -0.053 0.000 0.933 542 K CB -0.440 31.985 32.500 -0.125 0.000 0.721 542 K HN 0.853 nan 8.250 nan 0.000 0.447 543 H N -5.535 113.545 119.070 0.016 0.000 2.877 543 H HA 0.267 4.823 4.556 -0.000 0.000 0.246 543 H C -0.331 175.024 175.328 0.046 0.000 1.344 543 H CA -0.607 55.457 56.048 0.026 0.000 1.438 543 H CB -0.073 29.696 29.762 0.012 0.000 1.827 543 H HN 0.023 nan 8.280 nan 0.000 0.459 544 G N -0.627 108.302 108.800 0.215 0.000 2.509 544 G HA2 0.295 4.255 3.960 -0.000 0.000 0.269 544 G HA3 0.295 4.255 3.960 -0.000 0.000 0.269 544 G C -0.510 174.511 174.900 0.202 0.000 1.416 544 G CA -0.459 44.768 45.100 0.211 0.000 1.052 544 G HN 0.938 nan 8.290 nan 0.000 0.542 545 N N -0.874 117.887 118.700 0.102 0.000 2.646 545 N HA 0.165 4.905 4.740 -0.000 0.000 0.296 545 N C -0.189 175.216 175.510 -0.175 0.000 1.886 545 N CA -0.464 52.587 53.050 0.002 0.000 0.855 545 N CB 1.093 39.602 38.487 0.037 0.000 1.336 545 N HN 0.328 nan 8.380 nan 0.000 0.496 546 V N 2.062 121.644 119.914 -0.553 0.000 2.975 546 V HA 0.030 4.150 4.120 -0.000 0.000 0.300 546 V C -1.994 173.900 176.094 -0.333 0.000 1.186 546 V CA -0.406 61.372 62.300 -0.869 0.000 1.311 546 V CB 0.452 31.632 31.823 -1.071 0.000 0.917 546 V HN 0.352 nan 8.190 nan 0.000 0.512 547 P HA 0.255 nan 4.420 nan 0.000 0.268 547 P C -0.844 176.393 177.300 -0.105 0.000 1.205 547 P CA -0.129 62.907 63.100 -0.106 0.000 0.771 547 P CB 0.517 32.185 31.700 -0.053 0.000 0.858 548 L N 0.000 121.179 121.223 -0.074 0.000 2.949 548 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 548 L CA 0.000 54.804 54.840 -0.061 0.000 0.813 548 L CB 0.000 42.019 42.059 -0.067 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502