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 1q3s_1_B DATA FIRST_RESID 10 DATA SEQUENCE VILPEGTQRY VGRDAQRLNI LAARIIAETV RTTLGPKGMD KMLVDSLGDI DATA SEQUENCE VVTNDCATIL DKIDLQHPAA KMMVEVAKTQ DKEAGDGTTT AVVIAGELLR DATA SEQUENCE KAEELLDQNI HPSIIIKGYA LAAEKAQEIL DEIAIRVDPD DEETLLKIAA DATA SEQUENCE TSITGKNAES HKELLAKLAV EAVKQVAEKK DGKYVVDLDN IKFEKKAGEG DATA SEQUENCE VEESELVRGV VIDKEVVHPR MPKRVENAKI ALINEALEVK KTETDAKINI DATA SEQUENCE TSPDQLMSFL EQEEKMLKDM VDHIAQTGAN VVFVQKGIDD LAQHYLAKYG DATA SEQUENCE IMAVRRVKKS DMEKLAKATG AKIVTNVKDL TPEDLGYAEV VEERKLAGEN DATA SEQUENCE MIFVEGCKNP KAVTILIRGG TEHVIDEVER ALEDAVKVVK DVMEDGAVLP DATA SEQUENCE AGGAPEIELA IRLDEYAKQV GGKEALAIEN FADALKIIPK TLAENAGLDT DATA SEQUENCE VEMLVKVISE HKNRGLGIGI DVFEGKPADM LEKGIIEPLR VKKQAIKSAS DATA SEQUENCE EAAIMILRID DVIAAKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.091 176.094 -0.006 0.000 1.182 10 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 10 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 11 I N 0.488 121.054 120.570 -0.007 0.000 2.947 11 I HA 0.511 4.681 4.170 0.000 0.000 0.263 11 I C 0.081 176.193 176.117 -0.008 0.000 1.130 11 I CA 1.067 62.362 61.300 -0.008 0.000 1.448 11 I CB 1.195 39.189 38.000 -0.009 0.000 1.222 11 I HN 0.508 nan 8.210 nan 0.000 0.453 12 L N 2.322 123.539 121.223 -0.010 0.000 2.562 12 L HA 0.464 4.804 4.340 0.000 0.000 0.266 12 L C -2.538 174.326 176.870 -0.011 0.000 0.949 12 L CA -1.392 53.441 54.840 -0.010 0.000 0.879 12 L CB 1.827 43.878 42.059 -0.014 0.000 1.278 12 L HN -0.097 nan 8.230 nan 0.000 0.404 13 P HA -0.069 nan 4.420 nan 0.000 0.259 13 P C -1.066 176.229 177.300 -0.010 0.000 1.155 13 P CA 0.313 63.408 63.100 -0.007 0.000 0.759 13 P CB 0.276 31.973 31.700 -0.005 0.000 0.753 14 E N 2.552 122.746 120.200 -0.009 0.000 2.374 14 E HA 0.418 4.768 4.350 0.000 0.000 0.260 14 E C 1.183 177.778 176.600 -0.008 0.000 1.101 14 E CA -0.169 56.224 56.400 -0.011 0.000 0.907 14 E CB -0.094 29.600 29.700 -0.010 0.000 1.014 14 E HN 0.635 nan 8.360 nan 0.000 0.427 15 G N 1.419 110.214 108.800 -0.008 0.000 2.176 15 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 15 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 15 G C 0.097 174.998 174.900 0.000 0.000 0.979 15 G CA 0.314 45.412 45.100 -0.002 0.000 0.641 15 G HN 0.734 nan 8.290 nan 0.000 0.530 16 T N 1.483 116.034 114.554 -0.006 0.000 2.749 16 T HA 0.606 4.956 4.350 0.000 0.000 0.287 16 T C 0.178 174.867 174.700 -0.018 0.000 0.970 16 T CA -0.187 61.910 62.100 -0.004 0.000 0.980 16 T CB 1.607 70.470 68.868 -0.008 0.000 0.924 16 T HN 0.363 nan 8.240 nan 0.000 0.456 17 Q N 1.978 121.776 119.800 -0.003 0.000 2.180 17 Q HA 0.777 5.117 4.340 0.000 0.000 0.241 17 Q C -0.063 175.892 176.000 -0.075 0.000 0.970 17 Q CA -0.788 54.980 55.803 -0.058 0.000 0.919 17 Q CB 1.404 30.151 28.738 0.016 0.000 1.222 17 Q HN 0.511 nan 8.270 nan 0.000 0.482 18 R N -0.040 120.275 120.500 -0.309 0.000 2.663 18 R HA 0.552 4.892 4.340 0.000 0.000 0.267 18 R C -1.799 174.160 176.300 -0.568 0.000 1.038 18 R CA -0.459 55.514 56.100 -0.213 0.000 0.886 18 R CB 1.157 31.389 30.300 -0.113 0.000 1.249 18 R HN 0.645 nan 8.270 nan 0.000 0.463 19 Y N 0.696 120.999 120.300 0.004 0.000 2.562 19 Y HA 0.631 5.181 4.550 0.000 0.000 0.345 19 Y C -0.664 175.237 175.900 0.003 0.000 1.045 19 Y CA -0.771 57.333 58.100 0.007 0.000 1.028 19 Y CB 2.346 40.817 38.460 0.017 0.000 1.297 19 Y HN 0.251 nan 8.280 nan 0.000 0.463 20 V N -0.315 119.683 119.914 0.140 0.000 3.181 20 V HA 0.867 4.987 4.120 0.000 0.000 0.308 20 V C 0.608 176.736 176.094 0.057 0.000 1.214 20 V CA -0.660 61.686 62.300 0.076 0.000 1.053 20 V CB 1.108 32.950 31.823 0.033 0.000 1.069 20 V HN 1.137 nan 8.190 nan 0.000 0.441 21 G N 2.244 111.059 108.800 0.025 0.000 2.698 21 G HA2 -0.401 3.560 3.960 0.000 0.000 0.337 21 G HA3 -0.401 3.560 3.960 0.000 0.000 0.337 21 G C 1.165 176.068 174.900 0.004 0.000 1.286 21 G CA 2.182 47.282 45.100 0.000 0.000 1.000 21 G HN 1.362 nan 8.290 nan 0.000 0.547 22 R N 0.480 120.980 120.500 -0.001 0.000 2.094 22 R HA -0.091 4.249 4.340 0.000 0.000 0.239 22 R C 2.055 178.366 176.300 0.018 0.000 1.137 22 R CA 2.689 58.789 56.100 -0.001 0.000 0.943 22 R CB -1.005 29.294 30.300 -0.002 0.000 0.850 22 R HN 0.520 nan 8.270 nan 0.000 0.433 23 D N 0.842 121.273 120.400 0.051 0.000 2.137 23 D HA -0.203 4.437 4.640 0.000 0.000 0.189 23 D C 2.030 178.374 176.300 0.073 0.000 0.998 23 D CA 2.466 56.525 54.000 0.098 0.000 0.839 23 D CB -0.414 40.500 40.800 0.191 0.000 0.962 23 D HN 0.477 nan 8.370 nan 0.000 0.446 24 A N 0.525 123.406 122.820 0.102 0.000 1.852 24 A HA -0.343 3.977 4.320 0.000 0.000 0.217 24 A C 2.104 179.687 177.584 -0.002 0.000 1.215 24 A CA 2.382 54.453 52.037 0.057 0.000 0.641 24 A CB -1.038 18.009 19.000 0.078 0.000 0.838 24 A HN 0.311 nan 8.150 nan 0.000 0.450 25 Q N -1.349 118.452 119.800 0.001 0.000 2.045 25 Q HA -0.267 4.073 4.340 0.000 0.000 0.206 25 Q C 2.382 178.365 176.000 -0.030 0.000 0.991 25 Q CA 1.928 57.722 55.803 -0.015 0.000 0.851 25 Q CB -0.276 28.450 28.738 -0.021 0.000 0.911 25 Q HN 0.676 nan 8.270 nan 0.000 0.418 26 R N 0.825 121.308 120.500 -0.029 0.000 2.103 26 R HA -0.157 4.183 4.340 0.000 0.000 0.242 26 R C 2.093 178.352 176.300 -0.069 0.000 1.142 26 R CA 1.291 57.367 56.100 -0.039 0.000 0.960 26 R CB -0.221 30.065 30.300 -0.023 0.000 0.858 26 R HN 0.225 nan 8.270 nan 0.000 0.439 27 L N -0.187 120.982 121.223 -0.090 0.000 2.023 27 L HA -0.102 4.238 4.340 0.000 0.000 0.205 27 L C 2.101 178.854 176.870 -0.195 0.000 1.073 27 L CA 1.824 56.568 54.840 -0.160 0.000 0.745 27 L CB -0.756 41.171 42.059 -0.220 0.000 0.900 27 L HN 0.381 nan 8.230 nan 0.000 0.435 28 N N 0.500 119.147 118.700 -0.088 0.000 2.036 28 N HA -0.222 4.519 4.740 0.000 0.000 0.195 28 N C 1.937 177.404 175.510 -0.072 0.000 1.037 28 N CA 1.350 54.390 53.050 -0.017 0.000 0.855 28 N CB -0.145 38.361 38.487 0.032 0.000 1.033 28 N HN 0.223 nan 8.380 nan 0.000 0.423 29 I N 0.651 121.187 120.570 -0.058 0.000 2.208 29 I HA -0.252 3.918 4.170 0.000 0.000 0.245 29 I C 2.305 178.374 176.117 -0.079 0.000 1.097 29 I CA 0.733 62.002 61.300 -0.051 0.000 1.363 29 I CB -0.212 37.765 38.000 -0.039 0.000 1.051 29 I HN 0.222 nan 8.210 nan 0.000 0.413 30 L N 1.273 122.429 121.223 -0.111 0.000 2.027 30 L HA -0.122 4.218 4.340 0.000 0.000 0.206 30 L C 2.600 179.371 176.870 -0.166 0.000 1.074 30 L CA 2.186 56.950 54.840 -0.126 0.000 0.745 30 L CB -0.888 41.090 42.059 -0.134 0.000 0.898 30 L HN 0.171 nan 8.230 nan 0.000 0.433 31 A N -0.349 122.303 122.820 -0.281 0.000 1.908 31 A HA -0.140 4.180 4.320 0.000 0.000 0.218 31 A C 2.462 179.952 177.584 -0.155 0.000 1.181 31 A CA 2.086 53.919 52.037 -0.340 0.000 0.627 31 A CB -1.276 17.249 19.000 -0.792 0.000 0.818 31 A HN 0.614 nan 8.150 nan 0.000 0.445 32 A N -0.040 122.716 122.820 -0.106 0.000 1.865 32 A HA -0.209 4.111 4.320 0.000 0.000 0.217 32 A C 2.240 179.794 177.584 -0.050 0.000 1.191 32 A CA 1.692 53.700 52.037 -0.049 0.000 0.623 32 A CB -0.567 18.415 19.000 -0.029 0.000 0.826 32 A HN 0.565 nan 8.150 nan 0.000 0.444 33 R N -0.477 119.988 120.500 -0.058 0.000 2.091 33 R HA -0.115 4.225 4.340 0.000 0.000 0.238 33 R C 2.023 178.293 176.300 -0.050 0.000 1.136 33 R CA 1.676 57.746 56.100 -0.050 0.000 0.959 33 R CB -0.633 29.637 30.300 -0.050 0.000 0.856 33 R HN 0.623 nan 8.270 nan 0.000 0.437 34 I N 0.443 120.976 120.570 -0.062 0.000 2.226 34 I HA -0.282 3.888 4.170 0.000 0.000 0.245 34 I C 2.362 178.455 176.117 -0.041 0.000 1.100 34 I CA 0.935 62.202 61.300 -0.054 0.000 1.374 34 I CB -0.302 37.658 38.000 -0.067 0.000 1.057 34 I HN 0.140 nan 8.210 nan 0.000 0.413 35 I N 1.172 121.719 120.570 -0.039 0.000 2.226 35 I HA -0.243 3.927 4.170 0.000 0.000 0.245 35 I C 2.738 178.840 176.117 -0.025 0.000 1.100 35 I CA 1.754 63.038 61.300 -0.026 0.000 1.374 35 I CB -1.026 36.964 38.000 -0.017 0.000 1.057 35 I HN 0.174 nan 8.210 nan 0.000 0.413 36 A N 0.088 122.890 122.820 -0.030 0.000 1.873 36 A HA -0.194 4.127 4.320 0.000 0.000 0.215 36 A C 2.128 179.694 177.584 -0.031 0.000 1.186 36 A CA 1.339 53.357 52.037 -0.031 0.000 0.616 36 A CB -0.636 18.342 19.000 -0.035 0.000 0.823 36 A HN 0.480 nan 8.150 nan 0.000 0.442 37 E N -0.639 119.542 120.200 -0.032 0.000 2.409 37 E HA -0.091 4.259 4.350 0.000 0.000 0.198 37 E C 1.710 178.294 176.600 -0.027 0.000 1.024 37 E CA 1.210 57.592 56.400 -0.031 0.000 0.861 37 E CB -0.175 29.506 29.700 -0.031 0.000 0.788 37 E HN 0.638 nan 8.360 nan 0.000 0.521 38 T N 0.215 114.754 114.554 -0.025 0.000 2.851 38 T HA -0.099 4.251 4.350 0.000 0.000 0.262 38 T C 2.159 176.847 174.700 -0.020 0.000 1.043 38 T CA 1.302 63.389 62.100 -0.021 0.000 1.140 38 T CB -0.019 68.838 68.868 -0.019 0.000 0.872 38 T HN 0.210 nan 8.240 nan 0.000 0.446 39 V N 1.878 121.780 119.914 -0.021 0.000 2.951 39 V HA 0.072 4.192 4.120 0.000 0.000 0.255 39 V C 2.332 178.412 176.094 -0.023 0.000 1.088 39 V CA 1.058 63.346 62.300 -0.020 0.000 1.109 39 V CB -0.935 30.877 31.823 -0.019 0.000 0.724 39 V HN 0.445 nan 8.190 nan 0.000 0.471 40 R N 2.466 122.950 120.500 -0.027 0.000 2.249 40 R HA -0.129 4.211 4.340 0.000 0.000 0.230 40 R C 1.940 178.222 176.300 -0.030 0.000 1.121 40 R CA 1.831 57.913 56.100 -0.030 0.000 0.997 40 R CB -1.478 28.803 30.300 -0.032 0.000 0.867 40 R HN 0.633 nan 8.270 nan 0.000 0.465 41 T N -1.970 112.568 114.554 -0.028 0.000 3.160 41 T HA -0.003 4.347 4.350 0.000 0.000 0.257 41 T C 1.338 176.021 174.700 -0.029 0.000 1.147 41 T CA 0.789 62.872 62.100 -0.028 0.000 1.064 41 T CB 0.015 68.868 68.868 -0.025 0.000 0.949 41 T HN 0.481 nan 8.240 nan 0.000 0.526 42 T N -1.163 113.375 114.554 -0.027 0.000 3.040 42 T HA 0.404 4.754 4.350 0.000 0.000 0.266 42 T C 0.280 174.962 174.700 -0.029 0.000 1.005 42 T CA -0.628 61.457 62.100 -0.026 0.000 0.906 42 T CB -0.217 68.639 68.868 -0.019 0.000 1.082 42 T HN 0.275 nan 8.240 nan 0.000 0.531 43 L N 2.850 124.053 121.223 -0.034 0.000 2.456 43 L HA 0.539 4.879 4.340 0.000 0.000 0.272 43 L C 0.976 177.818 176.870 -0.046 0.000 1.189 43 L CA 1.864 56.683 54.840 -0.036 0.000 0.846 43 L CB -0.344 41.693 42.059 -0.038 0.000 1.111 43 L HN 0.704 nan 8.230 nan 0.000 0.475 44 G N 3.933 112.708 108.800 -0.043 0.000 2.796 44 G HA2 -0.212 3.748 3.960 0.000 0.000 0.226 44 G HA3 -0.212 3.748 3.960 0.000 0.000 0.226 44 G C -2.109 172.752 174.900 -0.065 0.000 1.381 44 G CA -0.304 44.762 45.100 -0.057 0.000 0.867 44 G HN 0.544 nan 8.290 nan 0.000 0.552 45 P HA 0.076 nan 4.420 nan 0.000 0.223 45 P C 1.435 178.643 177.300 -0.154 0.000 1.151 45 P CA 1.295 64.328 63.100 -0.112 0.000 0.787 45 P CB 0.141 31.708 31.700 -0.221 0.000 0.788 46 K N -0.947 119.340 120.400 -0.188 0.000 2.358 46 K HA 0.242 4.562 4.320 0.000 0.000 0.200 46 K C 1.122 177.671 176.600 -0.086 0.000 1.030 46 K CA 0.009 56.206 56.287 -0.149 0.000 1.097 46 K CB 0.106 32.493 32.500 -0.187 0.000 0.862 46 K HN 0.061 nan 8.250 nan 0.000 0.534 47 G N 1.408 110.166 108.800 -0.070 0.000 2.614 47 G HA2 0.127 4.087 3.960 0.000 0.000 0.239 47 G HA3 0.127 4.087 3.960 0.000 0.000 0.239 47 G C 0.228 175.108 174.900 -0.034 0.000 1.240 47 G CA -0.254 44.817 45.100 -0.048 0.000 0.842 47 G HN -0.060 nan 8.290 nan 0.000 0.584 48 M N 0.465 120.049 119.600 -0.028 0.000 2.471 48 M HA 0.339 4.819 4.480 0.000 0.000 0.309 48 M C -0.305 175.986 176.300 -0.014 0.000 1.186 48 M CA -0.611 54.676 55.300 -0.020 0.000 1.008 48 M CB 1.520 34.108 32.600 -0.021 0.000 1.551 48 M HN 0.397 nan 8.290 nan 0.000 0.477 49 D N 1.024 121.418 120.400 -0.010 0.000 2.332 49 D HA 0.469 5.109 4.640 0.000 0.000 0.252 49 D C -0.440 175.857 176.300 -0.006 0.000 1.050 49 D CA -0.285 53.712 54.000 -0.005 0.000 0.970 49 D CB 1.432 42.232 40.800 -0.001 0.000 1.141 49 D HN 0.269 nan 8.370 nan 0.000 0.485 50 K N 0.474 120.872 120.400 -0.003 0.000 2.259 50 K HA 0.507 4.827 4.320 0.000 0.000 0.249 50 K C -0.578 176.023 176.600 0.002 0.000 0.942 50 K CA -0.786 55.500 56.287 -0.003 0.000 0.816 50 K CB 2.643 35.142 32.500 -0.003 0.000 1.155 50 K HN 0.285 nan 8.250 nan 0.000 0.428 51 M N 4.260 123.860 119.600 -0.000 0.000 2.078 51 M HA 0.323 4.803 4.480 0.000 0.000 0.320 51 M C -1.694 174.611 176.300 0.007 0.000 0.969 51 M CA -0.648 54.654 55.300 0.003 0.000 0.929 51 M CB 0.463 33.057 32.600 -0.009 0.000 1.504 51 M HN 0.454 nan 8.290 nan 0.000 0.419 52 L N 6.022 127.255 121.223 0.016 0.000 2.265 52 L HA 0.554 4.894 4.340 0.000 0.000 0.289 52 L C -0.887 175.996 176.870 0.021 0.000 1.033 52 L CA -0.925 53.925 54.840 0.015 0.000 0.814 52 L CB 1.341 43.410 42.059 0.015 0.000 1.203 52 L HN 0.401 nan 8.230 nan 0.000 0.423 53 V N 2.815 122.738 119.914 0.015 0.000 2.334 53 V HA 0.189 4.309 4.120 0.000 0.000 0.281 53 V C -0.067 176.035 176.094 0.013 0.000 1.016 53 V CA -0.729 61.581 62.300 0.016 0.000 0.832 53 V CB 1.472 33.301 31.823 0.011 0.000 0.999 53 V HN 0.764 nan 8.190 nan 0.000 0.439 54 D N 3.769 124.177 120.400 0.014 0.000 2.348 54 D HA 0.096 4.737 4.640 0.000 0.000 0.249 54 D C 1.466 177.771 176.300 0.009 0.000 1.110 54 D CA 0.281 54.287 54.000 0.010 0.000 0.967 54 D CB 1.809 42.614 40.800 0.009 0.000 1.139 54 D HN 0.446 nan 8.370 nan 0.000 0.466 55 S N 1.579 117.284 115.700 0.007 0.000 2.409 55 S HA -0.259 4.212 4.470 0.000 0.000 0.237 55 S C 1.804 176.408 174.600 0.006 0.000 1.060 55 S CA 1.185 59.388 58.200 0.006 0.000 1.052 55 S CB -0.801 62.402 63.200 0.005 0.000 0.871 55 S HN 0.607 nan 8.310 nan 0.000 0.465 56 L N 1.507 122.734 121.223 0.007 0.000 2.672 56 L HA 0.354 4.694 4.340 0.000 0.000 0.236 56 L C 1.725 178.601 176.870 0.010 0.000 1.186 56 L CA 0.155 54.999 54.840 0.007 0.000 0.977 56 L CB -1.065 40.997 42.059 0.006 0.000 1.203 56 L HN 0.574 nan 8.230 nan 0.000 0.448 57 G N -0.071 108.735 108.800 0.011 0.000 2.168 57 G HA2 -0.312 3.648 3.960 0.000 0.000 0.257 57 G HA3 -0.312 3.648 3.960 0.000 0.000 0.257 57 G C 0.178 175.090 174.900 0.021 0.000 0.997 57 G CA 0.319 45.428 45.100 0.014 0.000 0.708 57 G HN 0.511 nan 8.290 nan 0.000 0.520 58 D N 0.110 120.522 120.400 0.021 0.000 2.389 58 D HA 0.384 5.024 4.640 0.000 0.000 0.247 58 D C 0.130 176.455 176.300 0.043 0.000 1.128 58 D CA -0.002 54.016 54.000 0.029 0.000 0.884 58 D CB 0.454 41.265 40.800 0.017 0.000 1.194 58 D HN 0.127 nan 8.370 nan 0.000 0.441 59 I N 3.524 124.140 120.570 0.076 0.000 2.382 59 I HA 0.190 4.360 4.170 0.000 0.000 0.286 59 I C -0.219 176.004 176.117 0.176 0.000 1.002 59 I CA -0.815 60.549 61.300 0.107 0.000 1.135 59 I CB 1.956 40.021 38.000 0.108 0.000 1.288 59 I HN 0.026 nan 8.210 nan 0.000 0.448 60 V N 6.939 126.921 119.914 0.114 0.000 2.350 60 V HA 0.439 4.559 4.120 0.000 0.000 0.285 60 V C -0.238 175.921 176.094 0.107 0.000 1.014 60 V CA -0.720 61.646 62.300 0.111 0.000 0.831 60 V CB 1.817 33.666 31.823 0.043 0.000 1.000 60 V HN 0.430 nan 8.190 nan 0.000 0.433 61 V N 4.340 124.355 119.914 0.169 0.000 2.350 61 V HA 0.722 4.842 4.120 0.000 0.000 0.276 61 V C 0.182 176.319 176.094 0.071 0.000 1.028 61 V CA -0.029 62.325 62.300 0.090 0.000 0.860 61 V CB 1.366 33.221 31.823 0.053 0.000 0.990 61 V HN 0.936 nan 8.190 nan 0.000 0.453 62 T N 2.681 117.256 114.554 0.036 0.000 2.853 62 T HA 0.341 4.691 4.350 0.000 0.000 0.311 62 T C 0.274 174.979 174.700 0.008 0.000 1.307 62 T CA -0.426 61.687 62.100 0.021 0.000 1.019 62 T CB 2.008 70.884 68.868 0.013 0.000 1.264 62 T HN 0.617 nan 8.240 nan 0.000 0.497 63 N N 0.964 119.667 118.700 0.004 0.000 2.254 63 N HA 0.166 4.906 4.740 0.000 0.000 0.190 63 N C -0.274 175.233 175.510 -0.006 0.000 1.107 63 N CA -0.110 52.939 53.050 -0.002 0.000 0.869 63 N CB 0.358 38.845 38.487 -0.001 0.000 0.983 63 N HN 0.603 nan 8.380 nan 0.000 0.487 64 D N -0.460 119.936 120.400 -0.007 0.000 2.371 64 D HA -0.002 4.639 4.640 0.000 0.000 0.256 64 D C 1.161 177.455 176.300 -0.010 0.000 1.193 64 D CA -0.118 53.875 54.000 -0.011 0.000 0.881 64 D CB 0.836 41.626 40.800 -0.016 0.000 1.143 64 D HN 0.212 nan 8.370 nan 0.000 0.473 65 C N 4.039 123.332 119.300 -0.011 0.000 2.432 65 C HA -0.068 4.392 4.460 0.000 0.000 0.277 65 C C 2.615 177.600 174.990 -0.009 0.000 1.249 65 C CA 1.273 60.285 59.018 -0.011 0.000 1.725 65 C CB -1.287 26.446 27.740 -0.012 0.000 2.028 65 C HN 0.797 nan 8.230 nan 0.000 0.477 66 A N -0.067 122.747 122.820 -0.010 0.000 1.908 66 A HA -0.161 4.159 4.320 0.000 0.000 0.218 66 A C 2.286 179.865 177.584 -0.008 0.000 1.181 66 A CA 2.798 54.830 52.037 -0.008 0.000 0.627 66 A CB -1.347 17.648 19.000 -0.009 0.000 0.818 66 A HN 0.678 nan 8.150 nan 0.000 0.445 67 T N 0.367 114.915 114.554 -0.010 0.000 2.668 67 T HA -0.091 4.259 4.350 0.000 0.000 0.262 67 T C 1.843 176.540 174.700 -0.005 0.000 1.045 67 T CA 1.476 63.570 62.100 -0.009 0.000 1.152 67 T CB -0.479 68.382 68.868 -0.011 0.000 0.864 67 T HN 0.418 nan 8.240 nan 0.000 0.419 68 I N 1.110 121.677 120.570 -0.004 0.000 2.068 68 I HA -0.219 3.951 4.170 0.000 0.000 0.238 68 I C 2.460 178.575 176.117 -0.002 0.000 1.046 68 I CA 1.498 62.796 61.300 -0.003 0.000 1.306 68 I CB -0.588 37.410 38.000 -0.004 0.000 1.023 68 I HN 0.190 nan 8.210 nan 0.000 0.399 69 L N 0.162 121.383 121.223 -0.004 0.000 2.129 69 L HA -0.285 4.055 4.340 0.000 0.000 0.212 69 L C 2.341 179.211 176.870 -0.000 0.000 1.087 69 L CA 1.644 56.483 54.840 -0.002 0.000 0.757 69 L CB -0.738 41.319 42.059 -0.003 0.000 0.896 69 L HN 0.520 nan 8.230 nan 0.000 0.434 70 D N -0.197 120.202 120.400 -0.001 0.000 2.162 70 D HA -0.143 4.497 4.640 0.000 0.000 0.205 70 D C 1.976 178.277 176.300 0.000 0.000 0.964 70 D CA 0.704 54.704 54.000 -0.001 0.000 0.847 70 D CB 0.356 41.155 40.800 -0.003 0.000 0.988 70 D HN 0.114 nan 8.370 nan 0.000 0.480 71 K N 0.567 120.967 120.400 0.000 0.000 2.148 71 K HA 0.033 4.353 4.320 0.000 0.000 0.204 71 K C 1.225 177.827 176.600 0.003 0.000 1.050 71 K CA 0.098 56.386 56.287 0.002 0.000 0.942 71 K CB 0.104 32.606 32.500 0.003 0.000 0.724 71 K HN 0.328 nan 8.250 nan 0.000 0.446 72 I N 1.971 122.543 120.570 0.003 0.000 2.754 72 I HA -0.109 4.061 4.170 0.000 0.000 0.285 72 I C 0.616 176.736 176.117 0.005 0.000 1.166 72 I CA -0.000 61.302 61.300 0.004 0.000 1.417 72 I CB 0.379 38.380 38.000 0.003 0.000 1.382 72 I HN -0.045 nan 8.210 nan 0.000 0.588 73 D N 6.996 127.400 120.400 0.006 0.000 2.639 73 D HA 0.225 4.865 4.640 0.000 0.000 0.233 73 D C -0.153 176.154 176.300 0.011 0.000 1.161 73 D CA -0.347 53.657 54.000 0.007 0.000 1.003 73 D CB -0.097 40.707 40.800 0.007 0.000 1.034 73 D HN 0.233 nan 8.370 nan 0.000 0.514 74 L N 2.047 123.278 121.223 0.013 0.000 2.525 74 L HA 0.003 4.343 4.340 0.000 0.000 0.278 74 L C 1.618 178.502 176.870 0.023 0.000 1.218 74 L CA 0.061 54.914 54.840 0.022 0.000 0.878 74 L CB 0.703 42.776 42.059 0.024 0.000 1.127 74 L HN 0.255 nan 8.230 nan 0.000 0.492 75 Q N 0.887 120.708 119.800 0.036 0.000 2.442 75 Q HA 0.038 4.378 4.340 0.000 0.000 0.228 75 Q C 0.346 176.359 176.000 0.022 0.000 0.902 75 Q CA 0.355 56.174 55.803 0.026 0.000 0.933 75 Q CB 0.213 28.968 28.738 0.029 0.000 1.071 75 Q HN 0.626 nan 8.270 nan 0.000 0.562 76 H N 2.805 121.863 119.070 -0.020 0.000 2.803 76 H HA 0.042 4.598 4.556 0.000 0.000 0.330 76 H C -1.661 173.650 175.328 -0.028 0.000 1.057 76 H CA -1.178 54.851 56.048 -0.032 0.000 1.458 76 H CB 1.338 31.073 29.762 -0.046 0.000 1.470 76 H HN -0.144 nan 8.280 nan 0.000 0.560 77 P HA -0.261 nan 4.420 nan 0.000 0.211 77 P C 1.016 178.314 177.300 -0.003 0.000 1.181 77 P CA 2.432 65.413 63.100 -0.197 0.000 0.929 77 P CB -0.100 31.434 31.700 -0.276 0.000 0.789 78 A N -0.744 122.152 122.820 0.127 0.000 2.139 78 A HA -0.141 4.179 4.320 0.000 0.000 0.221 78 A C 2.164 179.837 177.584 0.149 0.000 1.159 78 A CA 2.051 54.200 52.037 0.186 0.000 0.662 78 A CB -1.488 17.650 19.000 0.231 0.000 0.796 78 A HN 0.258 nan 8.150 nan 0.000 0.463 79 A N -0.880 122.053 122.820 0.189 0.000 2.095 79 A HA 0.142 4.463 4.320 0.000 0.000 0.212 79 A C 1.946 179.560 177.584 0.050 0.000 1.162 79 A CA 1.043 53.130 52.037 0.084 0.000 0.753 79 A CB -0.096 18.951 19.000 0.078 0.000 0.840 79 A HN 0.485 nan 8.150 nan 0.000 0.468 80 K N -0.545 119.884 120.400 0.048 0.000 2.167 80 K HA 0.111 4.431 4.320 0.000 0.000 0.203 80 K C 1.757 178.368 176.600 0.017 0.000 1.052 80 K CA 1.141 57.441 56.287 0.022 0.000 0.956 80 K CB -0.202 32.303 32.500 0.009 0.000 0.735 80 K HN 0.431 nan 8.250 nan 0.000 0.451 81 M N 0.112 119.725 119.600 0.023 0.000 2.279 81 M HA -0.097 4.383 4.480 0.000 0.000 0.264 81 M C 1.648 177.957 176.300 0.015 0.000 1.062 81 M CA 1.046 56.357 55.300 0.018 0.000 1.099 81 M CB -0.031 32.583 32.600 0.023 0.000 1.394 81 M HN 0.112 nan 8.290 nan 0.000 0.426 82 M N -0.726 118.883 119.600 0.015 0.000 2.476 82 M HA -0.061 4.419 4.480 0.000 0.000 0.262 82 M C 1.970 178.272 176.300 0.003 0.000 1.079 82 M CA 1.050 56.353 55.300 0.006 0.000 1.104 82 M CB -0.901 31.701 32.600 0.003 0.000 1.409 82 M HN 0.127 nan 8.290 nan 0.000 0.467 83 V N -0.149 119.769 119.914 0.006 0.000 2.488 83 V HA -0.165 3.955 4.120 0.000 0.000 0.246 83 V C 2.087 178.183 176.094 0.004 0.000 1.046 83 V CA 1.221 63.523 62.300 0.004 0.000 1.053 83 V CB -0.575 31.251 31.823 0.004 0.000 0.679 83 V HN 0.442 nan 8.190 nan 0.000 0.458 84 E N 0.078 120.281 120.200 0.006 0.000 2.209 84 E HA -0.183 4.167 4.350 0.000 0.000 0.196 84 E C 2.210 178.814 176.600 0.006 0.000 0.993 84 E CA 1.359 57.763 56.400 0.006 0.000 0.819 84 E CB -0.157 29.549 29.700 0.009 0.000 0.745 84 E HN 0.466 nan 8.360 nan 0.000 0.477 85 V N 1.400 121.317 119.914 0.004 0.000 2.223 85 V HA -0.275 3.845 4.120 0.000 0.000 0.244 85 V C 2.366 178.459 176.094 -0.000 0.000 1.045 85 V CA 1.972 64.273 62.300 0.002 0.000 1.000 85 V CB -0.768 31.053 31.823 -0.003 0.000 0.635 85 V HN 0.323 nan 8.190 nan 0.000 0.445 86 A N -0.488 122.330 122.820 -0.002 0.000 2.076 86 A HA -0.267 4.053 4.320 0.000 0.000 0.220 86 A C 2.174 179.758 177.584 -0.001 0.000 1.160 86 A CA 2.269 54.304 52.037 -0.004 0.000 0.653 86 A CB -0.463 18.534 19.000 -0.005 0.000 0.801 86 A HN 0.501 nan 8.150 nan 0.000 0.455 87 K N -0.715 119.686 120.400 0.001 0.000 2.007 87 K HA -0.040 4.280 4.320 0.000 0.000 0.206 87 K C 2.014 178.617 176.600 0.005 0.000 1.047 87 K CA 2.077 58.366 56.287 0.003 0.000 0.937 87 K CB -0.656 31.847 32.500 0.004 0.000 0.718 87 K HN 0.336 nan 8.250 nan 0.000 0.438 88 T N 0.536 115.094 114.554 0.006 0.000 2.821 88 T HA -0.145 4.205 4.350 0.000 0.000 0.267 88 T C 1.664 176.369 174.700 0.008 0.000 1.046 88 T CA 1.488 63.593 62.100 0.008 0.000 1.139 88 T CB -0.241 68.633 68.868 0.010 0.000 0.871 88 T HN 0.266 nan 8.240 nan 0.000 0.454 89 Q N 1.513 121.316 119.800 0.005 0.000 2.020 89 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 89 Q C 2.072 178.075 176.000 0.005 0.000 0.982 89 Q CA 1.664 57.469 55.803 0.004 0.000 0.838 89 Q CB -0.572 28.166 28.738 0.000 0.000 0.899 89 Q HN 0.440 nan 8.270 nan 0.000 0.423 90 D N -0.570 119.832 120.400 0.004 0.000 2.218 90 D HA -0.167 4.473 4.640 0.000 0.000 0.204 90 D C 1.270 177.575 176.300 0.009 0.000 0.976 90 D CA 0.917 54.920 54.000 0.005 0.000 0.853 90 D CB 0.108 40.909 40.800 0.002 0.000 0.939 90 D HN 0.267 nan 8.370 nan 0.000 0.481 91 K N -0.090 120.316 120.400 0.010 0.000 2.404 91 K HA -0.010 4.310 4.320 0.000 0.000 0.194 91 K C 1.293 177.901 176.600 0.014 0.000 1.023 91 K CA 0.337 56.632 56.287 0.013 0.000 1.094 91 K CB 0.487 32.994 32.500 0.012 0.000 0.841 91 K HN -0.055 nan 8.250 nan 0.000 0.523 92 E N -0.913 119.294 120.200 0.012 0.000 2.354 92 E HA 0.122 4.472 4.350 0.000 0.000 0.203 92 E C 1.016 177.624 176.600 0.013 0.000 0.841 92 E CA 0.727 57.134 56.400 0.013 0.000 1.046 92 E CB 0.814 30.522 29.700 0.012 0.000 1.040 92 E HN 0.253 nan 8.360 nan 0.000 0.504 93 A N -0.149 122.678 122.820 0.011 0.000 2.419 93 A HA 0.463 4.784 4.320 0.000 0.000 0.233 93 A C 1.607 179.198 177.584 0.011 0.000 1.217 93 A CA 0.927 52.970 52.037 0.010 0.000 0.944 93 A CB 0.338 19.343 19.000 0.008 0.000 1.025 93 A HN 0.228 nan 8.150 nan 0.000 0.524 94 G N -0.536 108.271 108.800 0.011 0.000 2.205 94 G HA2 -0.288 3.672 3.960 0.000 0.000 0.269 94 G HA3 -0.288 3.672 3.960 0.000 0.000 0.269 94 G C 0.043 174.948 174.900 0.007 0.000 0.977 94 G CA 0.924 46.031 45.100 0.012 0.000 0.652 94 G HN 0.714 nan 8.290 nan 0.000 0.539 95 D N -2.042 118.361 120.400 0.005 0.000 2.579 95 D HA 0.560 5.200 4.640 0.000 0.000 0.257 95 D C 0.851 177.151 176.300 0.000 0.000 1.176 95 D CA 0.799 54.801 54.000 0.003 0.000 0.914 95 D CB 0.802 41.606 40.800 0.006 0.000 1.431 95 D HN 1.275 nan 8.370 nan 0.000 0.454 96 G N 0.528 109.327 108.800 -0.002 0.000 2.176 96 G HA2 -0.296 3.664 3.960 0.000 0.000 0.252 96 G HA3 -0.296 3.664 3.960 0.000 0.000 0.252 96 G C 0.926 175.821 174.900 -0.009 0.000 1.024 96 G CA 1.392 46.489 45.100 -0.006 0.000 0.755 96 G HN 0.697 nan 8.290 nan 0.000 0.507 97 T N -2.976 111.573 114.554 -0.008 0.000 2.746 97 T HA -0.129 4.221 4.350 0.000 0.000 0.267 97 T C 2.297 176.989 174.700 -0.014 0.000 1.039 97 T CA 2.419 64.514 62.100 -0.009 0.000 1.142 97 T CB -0.577 68.286 68.868 -0.008 0.000 0.866 97 T HN 0.377 nan 8.240 nan 0.000 0.444 98 T N 2.162 116.707 114.554 -0.015 0.000 2.622 98 T HA -0.133 4.217 4.350 0.000 0.000 0.266 98 T C 2.272 176.958 174.700 -0.024 0.000 1.047 98 T CA 1.964 64.052 62.100 -0.020 0.000 1.159 98 T CB -1.228 67.628 68.868 -0.020 0.000 0.863 98 T HN 0.487 nan 8.240 nan 0.000 0.422 99 T N 2.122 116.662 114.554 -0.024 0.000 2.653 99 T HA -0.187 4.163 4.350 0.000 0.000 0.268 99 T C 2.331 177.010 174.700 -0.035 0.000 1.035 99 T CA 1.508 63.590 62.100 -0.029 0.000 1.154 99 T CB -0.665 68.189 68.868 -0.023 0.000 0.862 99 T HN 0.482 nan 8.240 nan 0.000 0.441 100 A N 0.469 123.273 122.820 -0.028 0.000 1.930 100 A HA 0.005 4.325 4.320 0.000 0.000 0.217 100 A C 2.592 180.153 177.584 -0.038 0.000 1.175 100 A CA 1.207 53.225 52.037 -0.032 0.000 0.627 100 A CB -0.777 18.212 19.000 -0.019 0.000 0.815 100 A HN 0.377 nan 8.150 nan 0.000 0.443 101 V N -0.419 119.477 119.914 -0.031 0.000 2.323 101 V HA -0.200 3.920 4.120 0.000 0.000 0.244 101 V C 2.588 178.657 176.094 -0.042 0.000 1.041 101 V CA 1.893 64.175 62.300 -0.031 0.000 1.025 101 V CB -0.715 31.094 31.823 -0.023 0.000 0.656 101 V HN 0.365 nan 8.190 nan 0.000 0.451 102 V N 0.216 120.104 119.914 -0.043 0.000 2.287 102 V HA -0.280 3.840 4.120 0.000 0.000 0.248 102 V C 2.166 178.219 176.094 -0.069 0.000 1.053 102 V CA 2.290 64.560 62.300 -0.050 0.000 1.027 102 V CB -0.603 31.193 31.823 -0.046 0.000 0.646 102 V HN 0.466 nan 8.190 nan 0.000 0.447 103 I N 0.331 120.852 120.570 -0.082 0.000 2.756 103 I HA -0.171 3.999 4.170 0.000 0.000 0.262 103 I C 2.461 178.485 176.117 -0.155 0.000 1.225 103 I CA 1.113 62.337 61.300 -0.127 0.000 1.472 103 I CB -0.484 37.435 38.000 -0.134 0.000 1.094 103 I HN 0.294 nan 8.210 nan 0.000 0.454 104 A N 0.774 123.531 122.820 -0.105 0.000 1.935 104 A HA 0.071 4.391 4.320 0.000 0.000 0.214 104 A C 2.418 179.963 177.584 -0.066 0.000 1.178 104 A CA 1.310 53.294 52.037 -0.089 0.000 0.640 104 A CB -0.992 17.978 19.000 -0.050 0.000 0.825 104 A HN 0.400 nan 8.150 nan 0.000 0.447 105 G N -0.336 108.430 108.800 -0.057 0.000 2.394 105 G HA2 -0.155 3.805 3.960 0.000 0.000 0.215 105 G HA3 -0.155 3.805 3.960 0.000 0.000 0.215 105 G C 1.422 176.294 174.900 -0.046 0.000 1.165 105 G CA 1.171 46.245 45.100 -0.043 0.000 0.784 105 G HN 0.535 nan 8.290 nan 0.000 0.535 106 E N -0.090 120.071 120.200 -0.065 0.000 2.153 106 E HA -0.074 4.276 4.350 0.000 0.000 0.194 106 E C 2.254 178.812 176.600 -0.070 0.000 0.988 106 E CA 0.493 56.854 56.400 -0.065 0.000 0.811 106 E CB -0.324 29.327 29.700 -0.082 0.000 0.746 106 E HN 0.251 nan 8.360 nan 0.000 0.466 107 L N 0.028 121.181 121.223 -0.116 0.000 2.093 107 L HA -0.013 4.327 4.340 0.000 0.000 0.208 107 L C 2.074 178.997 176.870 0.088 0.000 1.085 107 L CA 1.412 56.171 54.840 -0.134 0.000 0.755 107 L CB -0.443 41.427 42.059 -0.316 0.000 0.904 107 L HN 0.281 nan 8.230 nan 0.000 0.435 108 L N -1.356 119.894 121.223 0.046 0.000 2.156 108 L HA -0.157 4.183 4.340 0.000 0.000 0.208 108 L C 2.680 179.569 176.870 0.030 0.000 1.095 108 L CA 0.856 55.730 54.840 0.055 0.000 0.770 108 L CB -0.348 41.721 42.059 0.017 0.000 0.914 108 L HN 0.257 nan 8.230 nan 0.000 0.439 109 R N 0.432 120.940 120.500 0.013 0.000 2.061 109 R HA -0.142 4.198 4.340 0.000 0.000 0.230 109 R C 2.227 178.540 176.300 0.022 0.000 1.140 109 R CA 1.193 57.295 56.100 0.003 0.000 0.940 109 R CB 0.040 30.334 30.300 -0.009 0.000 0.839 109 R HN 0.054 nan 8.270 nan 0.000 0.429 110 K N 0.397 120.822 120.400 0.042 0.000 2.281 110 K HA -0.106 4.214 4.320 0.000 0.000 0.203 110 K C 1.783 178.437 176.600 0.090 0.000 1.046 110 K CA 1.283 57.611 56.287 0.069 0.000 0.938 110 K CB -0.266 32.287 32.500 0.089 0.000 0.737 110 K HN 0.345 nan 8.250 nan 0.000 0.458 111 A N 0.936 123.814 122.820 0.096 0.000 2.016 111 A HA -0.109 4.211 4.320 0.000 0.000 0.217 111 A C 2.133 179.693 177.584 -0.039 0.000 1.162 111 A CA 1.079 53.114 52.037 -0.002 0.000 0.662 111 A CB -0.173 18.800 19.000 -0.045 0.000 0.812 111 A HN 0.389 nan 8.150 nan 0.000 0.450 112 E N 0.115 120.307 120.200 -0.013 0.000 2.112 112 E HA -0.160 4.191 4.350 0.000 0.000 0.190 112 E C 1.747 178.337 176.600 -0.018 0.000 0.979 112 E CA 0.913 57.299 56.400 -0.023 0.000 0.814 112 E CB -0.084 29.604 29.700 -0.019 0.000 0.762 112 E HN 0.718 nan 8.360 nan 0.000 0.460 113 E N 0.448 120.645 120.200 -0.004 0.000 2.130 113 E HA -0.224 4.126 4.350 0.000 0.000 0.196 113 E C 2.108 178.705 176.600 -0.004 0.000 0.998 113 E CA 1.133 57.532 56.400 -0.000 0.000 0.806 113 E CB -0.117 29.590 29.700 0.011 0.000 0.738 113 E HN 0.358 nan 8.360 nan 0.000 0.459 114 L N 0.435 121.653 121.223 -0.009 0.000 2.395 114 L HA -0.090 4.250 4.340 0.000 0.000 0.218 114 L C 2.236 179.089 176.870 -0.028 0.000 1.130 114 L CA 0.318 55.149 54.840 -0.016 0.000 0.826 114 L CB -0.127 41.915 42.059 -0.027 0.000 0.941 114 L HN 0.149 nan 8.230 nan 0.000 0.451 115 L N -0.809 120.392 121.223 -0.036 0.000 2.102 115 L HA -0.109 4.231 4.340 0.000 0.000 0.202 115 L C 2.208 179.059 176.870 -0.031 0.000 1.076 115 L CA 0.811 55.626 54.840 -0.042 0.000 0.761 115 L CB -0.411 41.618 42.059 -0.049 0.000 0.921 115 L HN 0.200 nan 8.230 nan 0.000 0.444 116 D N 0.041 120.428 120.400 -0.023 0.000 2.116 116 D HA -0.286 4.354 4.640 0.000 0.000 0.193 116 D C 1.998 178.290 176.300 -0.013 0.000 0.998 116 D CA 1.300 55.290 54.000 -0.017 0.000 0.836 116 D CB -0.183 40.609 40.800 -0.012 0.000 0.951 116 D HN 0.293 nan 8.370 nan 0.000 0.449 117 Q N 0.059 119.853 119.800 -0.010 0.000 2.576 117 Q HA -0.109 4.231 4.340 0.000 0.000 0.218 117 Q C -0.083 175.914 176.000 -0.005 0.000 0.983 117 Q CA 0.504 56.303 55.803 -0.005 0.000 0.920 117 Q CB -0.180 28.557 28.738 -0.002 0.000 0.973 117 Q HN 0.336 nan 8.270 nan 0.000 0.528 118 N N -1.484 117.209 118.700 -0.011 0.000 2.979 118 N HA -0.170 4.570 4.740 0.000 0.000 0.234 118 N C -0.930 174.579 175.510 -0.002 0.000 0.938 118 N CA 0.150 53.194 53.050 -0.011 0.000 0.961 118 N CB -1.002 37.483 38.487 -0.004 0.000 1.089 118 N HN 0.212 nan 8.380 nan 0.000 0.576 119 I N 2.058 122.628 120.570 -0.000 0.000 2.533 119 I HA -0.027 4.143 4.170 0.000 0.000 0.284 119 I C 1.350 177.487 176.117 0.033 0.000 1.109 119 I CA -0.037 61.275 61.300 0.020 0.000 1.412 119 I CB 0.199 38.203 38.000 0.007 0.000 1.396 119 I HN 0.173 nan 8.210 nan 0.000 0.543 120 H N 9.869 128.924 119.070 -0.025 0.000 3.092 120 H HA -0.016 4.540 4.556 0.000 0.000 0.332 120 H C -1.481 173.825 175.328 -0.037 0.000 1.029 120 H CA -0.922 55.111 56.048 -0.024 0.000 1.376 120 H CB 1.225 30.976 29.762 -0.018 0.000 1.329 120 H HN 0.426 nan 8.280 nan 0.000 0.598 121 P HA -0.180 nan 4.420 nan 0.000 0.220 121 P C 1.630 179.008 177.300 0.130 0.000 1.148 121 P CA 1.392 64.503 63.100 0.017 0.000 0.803 121 P CB 0.215 31.878 31.700 -0.062 0.000 0.782 122 S N -0.066 115.867 115.700 0.388 0.000 2.365 122 S HA -0.154 4.316 4.470 0.000 0.000 0.225 122 S C 2.006 176.640 174.600 0.055 0.000 1.039 122 S CA 1.352 59.649 58.200 0.161 0.000 1.033 122 S CB -0.821 62.357 63.200 -0.035 0.000 0.887 122 S HN -0.112 nan 8.310 nan 0.000 0.447 123 I N 1.868 122.472 120.570 0.056 0.000 2.226 123 I HA -0.125 4.045 4.170 0.000 0.000 0.245 123 I C 2.363 178.474 176.117 -0.010 0.000 1.100 123 I CA 1.233 62.541 61.300 0.014 0.000 1.374 123 I CB -1.443 36.569 38.000 0.020 0.000 1.057 123 I HN 0.401 nan 8.210 nan 0.000 0.413 124 I N 0.580 121.121 120.570 -0.049 0.000 2.286 124 I HA -0.277 3.893 4.170 0.000 0.000 0.248 124 I C 2.557 178.545 176.117 -0.215 0.000 1.115 124 I CA 1.356 62.545 61.300 -0.185 0.000 1.392 124 I CB -0.276 37.563 38.000 -0.269 0.000 1.065 124 I HN 0.111 nan 8.210 nan 0.000 0.418 125 I N 0.464 120.985 120.570 -0.081 0.000 2.110 125 I HA -0.234 3.936 4.170 0.000 0.000 0.236 125 I C 2.604 178.774 176.117 0.088 0.000 1.068 125 I CA 1.145 62.451 61.300 0.011 0.000 1.333 125 I CB -0.475 37.545 38.000 0.034 0.000 1.054 125 I HN 0.081 nan 8.210 nan 0.000 0.402 126 K N 1.078 121.513 120.400 0.058 0.000 2.089 126 K HA -0.184 4.136 4.320 0.000 0.000 0.210 126 K C 2.038 178.692 176.600 0.090 0.000 1.048 126 K CA 1.777 58.102 56.287 0.063 0.000 0.926 126 K CB -0.979 31.540 32.500 0.030 0.000 0.714 126 K HN 0.512 nan 8.250 nan 0.000 0.448 127 G N -0.877 107.983 108.800 0.102 0.000 2.421 127 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 127 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 127 G C 1.571 176.627 174.900 0.260 0.000 1.143 127 G CA 0.292 45.473 45.100 0.135 0.000 0.784 127 G HN 0.341 nan 8.290 nan 0.000 0.541 128 Y N 0.823 121.186 120.300 0.105 0.000 2.293 128 Y HA -0.017 4.533 4.550 0.000 0.000 0.291 128 Y C 3.131 179.093 175.900 0.103 0.000 1.137 128 Y CA 0.274 58.508 58.100 0.223 0.000 1.202 128 Y CB 0.203 38.838 38.460 0.291 0.000 0.990 128 Y HN 0.311 nan 8.280 nan 0.000 0.537 129 A N 0.197 123.149 122.820 0.221 0.000 1.872 129 A HA -0.133 4.187 4.320 0.000 0.000 0.214 129 A C 2.100 179.707 177.584 0.037 0.000 1.187 129 A CA 1.127 53.234 52.037 0.116 0.000 0.614 129 A CB -0.922 18.140 19.000 0.104 0.000 0.826 129 A HN 0.429 nan 8.150 nan 0.000 0.442 130 L N -0.707 120.549 121.223 0.055 0.000 2.046 130 L HA -0.189 4.151 4.340 0.000 0.000 0.208 130 L C 3.088 179.984 176.870 0.043 0.000 1.077 130 L CA 1.102 56.000 54.840 0.096 0.000 0.747 130 L CB -0.722 41.430 42.059 0.156 0.000 0.896 130 L HN 0.446 nan 8.230 nan 0.000 0.432 131 A N 0.305 123.036 122.820 -0.147 0.000 1.877 131 A HA -0.141 4.179 4.320 0.000 0.000 0.216 131 A C 2.557 179.686 177.584 -0.759 0.000 1.186 131 A CA 1.759 53.467 52.037 -0.549 0.000 0.620 131 A CB -0.717 17.605 19.000 -1.130 0.000 0.822 131 A HN 0.384 nan 8.150 nan 0.000 0.443 132 A N -0.924 121.513 122.820 -0.639 0.000 1.933 132 A HA -0.129 4.191 4.320 0.000 0.000 0.218 132 A C 2.042 179.560 177.584 -0.111 0.000 1.175 132 A CA 1.778 53.685 52.037 -0.217 0.000 0.628 132 A CB -0.399 18.660 19.000 0.097 0.000 0.814 132 A HN 0.437 nan 8.150 nan 0.000 0.444 133 E N 0.015 120.154 120.200 -0.101 0.000 2.028 133 E HA -0.175 4.175 4.350 0.000 0.000 0.191 133 E C 1.983 178.503 176.600 -0.132 0.000 0.988 133 E CA 1.502 57.856 56.400 -0.077 0.000 0.799 133 E CB -0.273 29.398 29.700 -0.047 0.000 0.755 133 E HN 0.517 nan 8.360 nan 0.000 0.447 134 K N 0.528 120.798 120.400 -0.216 0.000 2.280 134 K HA -0.035 4.285 4.320 0.000 0.000 0.202 134 K C 1.687 178.145 176.600 -0.238 0.000 1.047 134 K CA 1.059 57.142 56.287 -0.339 0.000 0.942 134 K CB -0.217 31.852 32.500 -0.719 0.000 0.739 134 K HN 0.100 nan 8.250 nan 0.000 0.457 135 A N 0.116 122.826 122.820 -0.183 0.000 1.929 135 A HA -0.128 4.192 4.320 0.000 0.000 0.216 135 A C 1.915 179.462 177.584 -0.061 0.000 1.176 135 A CA 1.019 52.992 52.037 -0.105 0.000 0.628 135 A CB -0.350 18.612 19.000 -0.064 0.000 0.816 135 A HN 0.275 nan 8.150 nan 0.000 0.444 136 Q N -0.229 119.536 119.800 -0.058 0.000 2.016 136 Q HA -0.194 4.147 4.340 0.000 0.000 0.200 136 Q C 1.955 177.927 176.000 -0.046 0.000 0.978 136 Q CA 1.714 57.496 55.803 -0.035 0.000 0.833 136 Q CB -0.642 28.080 28.738 -0.027 0.000 0.895 136 Q HN 0.858 nan 8.270 nan 0.000 0.427 137 E N 0.473 120.630 120.200 -0.072 0.000 2.065 137 E HA -0.212 4.138 4.350 0.000 0.000 0.201 137 E C 2.078 178.638 176.600 -0.067 0.000 1.016 137 E CA 1.331 57.685 56.400 -0.077 0.000 0.818 137 E CB -0.166 29.464 29.700 -0.117 0.000 0.749 137 E HN 0.313 nan 8.360 nan 0.000 0.453 138 I N 0.584 121.106 120.570 -0.079 0.000 2.264 138 I HA -0.300 3.870 4.170 0.000 0.000 0.248 138 I C 2.413 178.513 176.117 -0.027 0.000 1.111 138 I CA 0.846 62.113 61.300 -0.055 0.000 1.382 138 I CB -0.208 37.759 38.000 -0.055 0.000 1.060 138 I HN 0.210 nan 8.210 nan 0.000 0.418 139 L N 0.111 121.320 121.223 -0.023 0.000 2.056 139 L HA -0.211 4.129 4.340 0.000 0.000 0.207 139 L C 2.206 179.072 176.870 -0.008 0.000 1.078 139 L CA 1.224 56.059 54.840 -0.008 0.000 0.749 139 L CB -0.614 41.442 42.059 -0.004 0.000 0.901 139 L HN 0.235 nan 8.230 nan 0.000 0.433 140 D N -0.264 120.127 120.400 -0.015 0.000 2.117 140 D HA -0.219 4.421 4.640 0.000 0.000 0.197 140 D C 1.957 178.251 176.300 -0.011 0.000 0.987 140 D CA 1.141 55.134 54.000 -0.012 0.000 0.829 140 D CB 0.030 40.820 40.800 -0.016 0.000 0.961 140 D HN 0.379 nan 8.370 nan 0.000 0.460 141 E N 0.565 120.756 120.200 -0.016 0.000 2.001 141 E HA -0.151 4.199 4.350 0.000 0.000 0.195 141 E C 2.374 178.971 176.600 -0.006 0.000 1.002 141 E CA 0.992 57.384 56.400 -0.013 0.000 0.819 141 E CB -0.145 29.543 29.700 -0.020 0.000 0.769 141 E HN 0.359 nan 8.360 nan 0.000 0.454 142 I N -0.517 120.052 120.570 -0.002 0.000 2.850 142 I HA 0.018 4.188 4.170 0.000 0.000 0.266 142 I C 0.927 177.048 176.117 0.007 0.000 1.257 142 I CA 0.230 61.534 61.300 0.006 0.000 1.465 142 I CB -0.649 37.362 38.000 0.019 0.000 1.091 142 I HN -0.074 nan 8.210 nan 0.000 0.467 143 A N 2.311 125.134 122.820 0.004 0.000 2.565 143 A HA 0.228 4.548 4.320 0.000 0.000 0.237 143 A C 0.335 177.921 177.584 0.003 0.000 1.053 143 A CA 0.133 52.173 52.037 0.004 0.000 0.755 143 A CB -0.331 18.670 19.000 0.002 0.000 0.980 143 A HN 0.482 nan 8.150 nan 0.000 0.506 144 I N 4.481 125.054 120.570 0.004 0.000 2.224 144 I HA 0.080 4.250 4.170 0.000 0.000 0.293 144 I C 0.322 176.439 176.117 0.000 0.000 1.155 144 I CA -0.512 60.789 61.300 0.002 0.000 1.297 144 I CB -0.114 37.888 38.000 0.004 0.000 1.487 144 I HN 0.533 nan 8.210 nan 0.000 0.564 145 R N 3.726 124.226 120.500 -0.000 0.000 2.486 145 R HA 0.118 4.458 4.340 0.000 0.000 0.303 145 R C -0.282 176.017 176.300 -0.002 0.000 0.958 145 R CA 0.125 56.224 56.100 -0.000 0.000 1.077 145 R CB 0.587 30.888 30.300 0.001 0.000 0.921 145 R HN 0.349 nan 8.270 nan 0.000 0.406 146 V N 1.763 121.674 119.914 -0.005 0.000 3.113 146 V HA 0.237 4.357 4.120 0.000 0.000 0.316 146 V C -0.650 175.439 176.094 -0.009 0.000 1.125 146 V CA -0.976 61.319 62.300 -0.007 0.000 1.026 146 V CB 2.563 34.380 31.823 -0.012 0.000 1.080 146 V HN 0.677 nan 8.190 nan 0.000 0.444 147 D N 3.164 123.559 120.400 -0.008 0.000 2.343 147 D HA 0.330 4.970 4.640 0.000 0.000 0.255 147 D C -1.702 174.580 176.300 -0.030 0.000 1.187 147 D CA -1.632 52.365 54.000 -0.004 0.000 0.875 147 D CB 1.804 42.607 40.800 0.004 0.000 1.136 147 D HN 0.266 nan 8.370 nan 0.000 0.469 148 P HA -0.149 nan 4.420 nan 0.000 0.219 148 P C -0.247 176.904 177.300 -0.250 0.000 1.145 148 P CA 1.250 64.269 63.100 -0.134 0.000 0.813 148 P CB 0.171 31.832 31.700 -0.065 0.000 0.771 149 D N -4.099 116.222 120.400 -0.131 0.000 2.636 149 D HA 0.015 4.655 4.640 0.000 0.000 0.270 149 D C -0.257 176.015 176.300 -0.047 0.000 1.430 149 D CA -0.456 53.471 54.000 -0.121 0.000 0.796 149 D CB -1.116 39.661 40.800 -0.040 0.000 1.117 149 D HN -0.059 nan 8.370 nan 0.000 0.480 150 D N 1.695 122.072 120.400 -0.039 0.000 2.419 150 D HA -0.082 4.558 4.640 0.000 0.000 0.281 150 D C 1.389 177.677 176.300 -0.020 0.000 1.398 150 D CA 0.297 54.286 54.000 -0.019 0.000 1.047 150 D CB 0.832 41.622 40.800 -0.017 0.000 1.115 150 D HN 0.034 nan 8.370 nan 0.000 0.540 151 E N 3.275 123.469 120.200 -0.010 0.000 2.113 151 E HA -0.331 4.019 4.350 0.000 0.000 0.210 151 E C 1.372 177.968 176.600 -0.007 0.000 1.040 151 E CA 2.123 58.519 56.400 -0.007 0.000 0.847 151 E CB -0.164 29.536 29.700 0.001 0.000 0.755 151 E HN 0.643 nan 8.360 nan 0.000 0.459 152 E N -0.461 119.736 120.200 -0.005 0.000 2.019 152 E HA -0.233 4.117 4.350 0.000 0.000 0.208 152 E C 2.116 178.713 176.600 -0.005 0.000 1.030 152 E CA 3.063 59.461 56.400 -0.004 0.000 0.856 152 E CB -1.045 28.654 29.700 -0.003 0.000 0.781 152 E HN 0.438 nan 8.360 nan 0.000 0.471 153 T N -1.489 113.060 114.554 -0.008 0.000 3.007 153 T HA -0.088 4.262 4.350 0.000 0.000 0.270 153 T C 1.762 176.454 174.700 -0.012 0.000 1.107 153 T CA 0.980 63.075 62.100 -0.008 0.000 1.118 153 T CB -0.210 68.652 68.868 -0.010 0.000 0.889 153 T HN 0.132 nan 8.240 nan 0.000 0.506 154 L N -0.010 121.202 121.223 -0.018 0.000 2.313 154 L HA 0.327 4.667 4.340 0.000 0.000 0.214 154 L C 2.164 179.027 176.870 -0.010 0.000 1.119 154 L CA 0.868 55.694 54.840 -0.023 0.000 0.809 154 L CB -0.609 41.426 42.059 -0.039 0.000 0.933 154 L HN 0.273 nan 8.230 nan 0.000 0.449 155 L N -1.159 120.062 121.223 -0.005 0.000 2.341 155 L HA -0.077 4.263 4.340 0.000 0.000 0.214 155 L C 2.200 179.073 176.870 0.005 0.000 1.115 155 L CA 1.120 55.961 54.840 0.002 0.000 0.820 155 L CB -0.574 41.487 42.059 0.003 0.000 0.944 155 L HN 0.321 nan 8.230 nan 0.000 0.452 156 K N -0.417 119.985 120.400 0.003 0.000 2.005 156 K HA -0.052 4.268 4.320 0.000 0.000 0.206 156 K C 1.948 178.554 176.600 0.009 0.000 1.044 156 K CA 0.655 56.946 56.287 0.006 0.000 0.942 156 K CB 0.095 32.598 32.500 0.005 0.000 0.727 156 K HN 0.020 nan 8.250 nan 0.000 0.439 157 I N 1.786 122.359 120.570 0.005 0.000 2.229 157 I HA -0.318 3.852 4.170 0.000 0.000 0.250 157 I C 2.386 178.510 176.117 0.012 0.000 1.096 157 I CA 1.620 62.924 61.300 0.007 0.000 1.358 157 I CB -1.201 36.798 38.000 -0.002 0.000 1.047 157 I HN 0.192 nan 8.210 nan 0.000 0.422 158 A N 0.203 123.031 122.820 0.013 0.000 1.930 158 A HA 0.085 4.405 4.320 0.000 0.000 0.215 158 A C 2.506 180.105 177.584 0.025 0.000 1.176 158 A CA 1.394 53.443 52.037 0.020 0.000 0.632 158 A CB -0.543 18.470 19.000 0.021 0.000 0.819 158 A HN 0.402 nan 8.150 nan 0.000 0.445 159 A N -1.119 121.715 122.820 0.023 0.000 1.970 159 A HA 0.029 4.349 4.320 0.000 0.000 0.216 159 A C 2.185 179.788 177.584 0.032 0.000 1.170 159 A CA 1.909 53.962 52.037 0.025 0.000 0.645 159 A CB -0.989 18.021 19.000 0.016 0.000 0.816 159 A HN 0.376 nan 8.150 nan 0.000 0.447 160 T N -0.540 114.033 114.554 0.031 0.000 2.833 160 T HA -0.110 4.240 4.350 0.000 0.000 0.269 160 T C 2.218 176.945 174.700 0.045 0.000 1.054 160 T CA 1.667 63.793 62.100 0.043 0.000 1.135 160 T CB -0.183 68.707 68.868 0.036 0.000 0.869 160 T HN 0.490 nan 8.240 nan 0.000 0.466 161 S N 0.507 116.227 115.700 0.034 0.000 2.357 161 S HA 0.054 4.524 4.470 0.000 0.000 0.221 161 S C 2.016 176.636 174.600 0.032 0.000 1.031 161 S CA 0.506 58.723 58.200 0.029 0.000 0.982 161 S CB -0.374 62.839 63.200 0.022 0.000 0.853 161 S HN 0.454 nan 8.310 nan 0.000 0.458 162 I N 1.259 121.850 120.570 0.036 0.000 2.335 162 I HA -0.105 4.065 4.170 0.000 0.000 0.251 162 I C 0.428 176.576 176.117 0.051 0.000 1.129 162 I CA 0.739 62.062 61.300 0.039 0.000 1.402 162 I CB -0.548 37.478 38.000 0.043 0.000 1.069 162 I HN 0.219 nan 8.210 nan 0.000 0.424 163 T N 1.249 115.842 114.554 0.065 0.000 2.723 163 T HA 0.452 4.802 4.350 0.000 0.000 0.297 163 T C 0.748 175.501 174.700 0.088 0.000 0.925 163 T CA 0.399 62.561 62.100 0.103 0.000 1.030 163 T CB 0.982 69.937 68.868 0.144 0.000 0.905 163 T HN 0.565 nan 8.240 nan 0.000 0.502 164 G N 2.917 111.757 108.800 0.068 0.000 3.272 164 G HA2 -0.034 3.926 3.960 0.000 0.000 0.219 164 G HA3 -0.034 3.926 3.960 0.000 0.000 0.219 164 G C 0.012 174.923 174.900 0.019 0.000 0.952 164 G CA -0.509 44.609 45.100 0.030 0.000 0.833 164 G HN 0.534 nan 8.290 nan 0.000 0.608 165 K N -0.287 120.132 120.400 0.031 0.000 2.372 165 K HA 0.390 4.710 4.320 0.000 0.000 0.251 165 K C 0.857 177.477 176.600 0.034 0.000 1.055 165 K CA -0.427 55.875 56.287 0.023 0.000 0.879 165 K CB 1.600 34.111 32.500 0.018 0.000 1.384 165 K HN 0.052 nan 8.250 nan 0.000 0.465 166 N N 0.740 119.457 118.700 0.029 0.000 2.006 166 N HA -0.193 4.547 4.740 0.000 0.000 0.196 166 N C 1.298 176.835 175.510 0.045 0.000 1.057 166 N CA 1.525 54.596 53.050 0.034 0.000 0.853 166 N CB -0.145 38.362 38.487 0.033 0.000 1.051 166 N HN 0.588 nan 8.380 nan 0.000 0.423 167 A N 1.257 124.111 122.820 0.057 0.000 2.310 167 A HA -0.157 4.163 4.320 0.000 0.000 0.206 167 A C 1.407 179.046 177.584 0.091 0.000 1.253 167 A CA 1.023 53.116 52.037 0.093 0.000 0.768 167 A CB -0.943 18.115 19.000 0.096 0.000 0.755 167 A HN 0.762 nan 8.150 nan 0.000 0.505 168 E N 0.375 120.607 120.200 0.053 0.000 2.510 168 E HA -0.161 4.189 4.350 0.000 0.000 0.202 168 E C 1.385 177.970 176.600 -0.025 0.000 1.072 168 E CA 1.045 57.468 56.400 0.039 0.000 0.883 168 E CB -0.588 29.153 29.700 0.068 0.000 0.818 168 E HN 0.712 nan 8.360 nan 0.000 0.548 169 S N 0.753 116.396 115.700 -0.094 0.000 2.423 169 S HA -0.152 4.319 4.470 0.000 0.000 0.231 169 S C 0.436 174.727 174.600 -0.516 0.000 1.014 169 S CA 1.046 59.043 58.200 -0.337 0.000 0.965 169 S CB -0.429 62.484 63.200 -0.478 0.000 0.785 169 S HN 0.558 nan 8.310 nan 0.000 0.495 170 H N 0.632 119.706 119.070 0.007 0.000 2.716 170 H HA 0.360 4.916 4.556 0.000 0.000 0.230 170 H C 0.870 176.202 175.328 0.007 0.000 1.401 170 H CA -0.594 55.457 56.048 0.005 0.000 1.168 170 H CB 0.058 29.826 29.762 0.010 0.000 1.935 170 H HN 0.450 nan 8.280 nan 0.000 0.538 171 K N 0.196 120.643 120.400 0.079 0.000 2.280 171 K HA -0.199 4.121 4.320 0.000 0.000 0.202 171 K C 1.456 178.087 176.600 0.052 0.000 1.047 171 K CA 1.526 57.848 56.287 0.059 0.000 0.942 171 K CB 0.469 32.985 32.500 0.027 0.000 0.739 171 K HN 0.212 nan 8.250 nan 0.000 0.457 172 E N 1.821 122.053 120.200 0.053 0.000 1.997 172 E HA -0.232 4.118 4.350 0.000 0.000 0.201 172 E C 1.879 178.508 176.600 0.047 0.000 1.011 172 E CA 1.502 57.927 56.400 0.041 0.000 0.847 172 E CB -0.534 29.190 29.700 0.040 0.000 0.787 172 E HN 0.287 nan 8.360 nan 0.000 0.472 173 L N 0.406 121.666 121.223 0.062 0.000 1.990 173 L HA -0.169 4.171 4.340 0.000 0.000 0.213 173 L C 2.390 179.286 176.870 0.044 0.000 1.072 173 L CA 1.939 56.807 54.840 0.046 0.000 0.755 173 L CB -0.864 41.218 42.059 0.039 0.000 0.889 173 L HN 0.391 nan 8.230 nan 0.000 0.432 174 L N -0.565 120.692 121.223 0.055 0.000 2.042 174 L HA -0.225 4.116 4.340 0.000 0.000 0.210 174 L C 2.692 179.595 176.870 0.054 0.000 1.076 174 L CA 1.308 56.181 54.840 0.056 0.000 0.749 174 L CB -1.105 40.992 42.059 0.062 0.000 0.893 174 L HN 0.436 nan 8.230 nan 0.000 0.432 175 A N 0.258 123.105 122.820 0.046 0.000 1.877 175 A HA -0.255 4.065 4.320 0.000 0.000 0.216 175 A C 2.405 180.009 177.584 0.033 0.000 1.186 175 A CA 2.013 54.073 52.037 0.038 0.000 0.620 175 A CB -0.466 18.552 19.000 0.029 0.000 0.822 175 A HN 0.362 nan 8.150 nan 0.000 0.443 176 K N -0.125 120.294 120.400 0.030 0.000 1.991 176 K HA -0.132 4.188 4.320 0.000 0.000 0.212 176 K C 1.897 178.514 176.600 0.028 0.000 1.049 176 K CA 1.777 58.079 56.287 0.025 0.000 0.932 176 K CB -0.432 32.082 32.500 0.023 0.000 0.717 176 K HN 0.442 nan 8.250 nan 0.000 0.441 177 L N 0.424 121.668 121.223 0.035 0.000 2.079 177 L HA -0.201 4.139 4.340 0.000 0.000 0.210 177 L C 2.670 179.566 176.870 0.044 0.000 1.081 177 L CA 1.352 56.215 54.840 0.039 0.000 0.752 177 L CB -0.626 41.464 42.059 0.051 0.000 0.896 177 L HN 0.387 nan 8.230 nan 0.000 0.433 178 A N -0.625 122.230 122.820 0.058 0.000 1.968 178 A HA -0.069 4.251 4.320 0.000 0.000 0.217 178 A C 2.283 179.890 177.584 0.039 0.000 1.169 178 A CA 1.297 53.374 52.037 0.067 0.000 0.638 178 A CB -0.468 18.581 19.000 0.082 0.000 0.812 178 A HN 0.201 nan 8.150 nan 0.000 0.446 179 V N -0.240 119.689 119.914 0.026 0.000 2.302 179 V HA -0.206 3.914 4.120 0.000 0.000 0.243 179 V C 2.447 178.548 176.094 0.010 0.000 1.036 179 V CA 1.988 64.295 62.300 0.012 0.000 1.020 179 V CB -0.754 31.073 31.823 0.007 0.000 0.657 179 V HN 0.754 nan 8.190 nan 0.000 0.453 180 E N 0.531 120.739 120.200 0.014 0.000 2.097 180 E HA -0.289 4.061 4.350 0.000 0.000 0.196 180 E C 2.164 178.770 176.600 0.009 0.000 1.000 180 E CA 1.723 58.131 56.400 0.013 0.000 0.804 180 E CB -0.230 29.478 29.700 0.014 0.000 0.740 180 E HN 0.562 nan 8.360 nan 0.000 0.454 181 A N 0.240 123.062 122.820 0.004 0.000 1.873 181 A HA -0.118 4.202 4.320 0.000 0.000 0.215 181 A C 2.379 179.957 177.584 -0.010 0.000 1.186 181 A CA 1.476 53.504 52.037 -0.014 0.000 0.616 181 A CB -0.536 18.444 19.000 -0.032 0.000 0.823 181 A HN 0.228 nan 8.150 nan 0.000 0.442 182 V N 0.234 120.150 119.914 0.002 0.000 2.667 182 V HA -0.206 3.914 4.120 0.000 0.000 0.252 182 V C 2.302 178.410 176.094 0.025 0.000 1.065 182 V CA 2.039 64.344 62.300 0.009 0.000 1.083 182 V CB -0.674 31.154 31.823 0.008 0.000 0.692 182 V HN 0.517 nan 8.190 nan 0.000 0.468 183 K N -0.077 120.338 120.400 0.024 0.000 2.057 183 K HA -0.213 4.107 4.320 0.000 0.000 0.206 183 K C 2.280 178.918 176.600 0.063 0.000 1.050 183 K CA 1.432 57.750 56.287 0.051 0.000 0.935 183 K CB -0.164 32.359 32.500 0.039 0.000 0.715 183 K HN 0.304 nan 8.250 nan 0.000 0.439 184 Q N 1.172 120.993 119.800 0.035 0.000 2.050 184 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 184 Q C 1.949 177.962 176.000 0.023 0.000 0.980 184 Q CA 1.862 57.680 55.803 0.026 0.000 0.840 184 Q CB -0.129 28.614 28.738 0.009 0.000 0.898 184 Q HN 0.277 nan 8.270 nan 0.000 0.424 185 V N -1.854 118.068 119.914 0.014 0.000 3.129 185 V HA 0.370 4.490 4.120 0.000 0.000 0.259 185 V C 0.977 177.090 176.094 0.032 0.000 1.116 185 V CA 0.335 62.641 62.300 0.009 0.000 1.127 185 V CB -1.479 30.336 31.823 -0.013 0.000 0.742 185 V HN 0.328 nan 8.190 nan 0.000 0.474 186 A N 0.905 123.765 122.820 0.066 0.000 2.555 186 A HA 0.344 4.664 4.320 0.000 0.000 0.233 186 A C 0.173 177.810 177.584 0.089 0.000 1.060 186 A CA 0.538 52.650 52.037 0.125 0.000 0.759 186 A CB -0.056 19.089 19.000 0.241 0.000 0.995 186 A HN 0.695 nan 8.150 nan 0.000 0.506 187 E N 0.239 120.485 120.200 0.077 0.000 2.263 187 E HA 0.556 4.906 4.350 0.000 0.000 0.268 187 E C -0.829 175.738 176.600 -0.055 0.000 0.884 187 E CA -0.452 55.947 56.400 -0.001 0.000 0.766 187 E CB 1.269 30.971 29.700 0.002 0.000 1.196 187 E HN 0.617 nan 8.360 nan 0.000 0.416 188 K N 3.059 123.359 120.400 -0.167 0.000 2.523 188 K HA 0.473 4.793 4.320 0.000 0.000 0.257 188 K C -0.940 175.553 176.600 -0.178 0.000 0.932 188 K CA -0.585 55.554 56.287 -0.246 0.000 0.812 188 K CB 0.836 32.948 32.500 -0.646 0.000 1.326 188 K HN 0.398 nan 8.250 nan 0.000 0.433 189 K N 1.142 121.470 120.400 -0.121 0.000 2.524 189 K HA 0.076 4.396 4.320 0.000 0.000 0.181 189 K C -0.615 175.950 176.600 -0.059 0.000 1.665 189 K CA 0.319 56.555 56.287 -0.085 0.000 1.037 189 K CB -0.070 32.394 32.500 -0.061 0.000 1.476 189 K HN 0.571 nan 8.250 nan 0.000 0.583 190 D N 0.130 120.498 120.400 -0.054 0.000 2.513 190 D HA 0.318 4.958 4.640 0.000 0.000 0.222 190 D C 0.994 177.280 176.300 -0.024 0.000 1.210 190 D CA 0.199 54.181 54.000 -0.030 0.000 0.825 190 D CB 0.952 41.741 40.800 -0.018 0.000 1.037 190 D HN 0.328 nan 8.370 nan 0.000 0.506 191 G N 1.277 110.054 108.800 -0.039 0.000 2.953 191 G HA2 -0.226 3.734 3.960 0.000 0.000 0.201 191 G HA3 -0.226 3.734 3.960 0.000 0.000 0.201 191 G C 0.028 174.923 174.900 -0.008 0.000 1.501 191 G CA -0.413 44.675 45.100 -0.020 0.000 1.094 191 G HN 0.294 nan 8.290 nan 0.000 0.555 192 K N 0.243 120.655 120.400 0.021 0.000 2.139 192 K HA 0.654 4.974 4.320 0.000 0.000 0.243 192 K C -0.518 176.139 176.600 0.094 0.000 0.983 192 K CA -0.803 55.546 56.287 0.104 0.000 0.890 192 K CB 1.326 33.891 32.500 0.108 0.000 1.090 192 K HN 0.222 nan 8.250 nan 0.000 0.445 193 Y N -0.052 120.250 120.300 0.003 0.000 2.281 193 Y HA 0.252 4.802 4.550 0.000 0.000 0.337 193 Y C 0.335 176.237 175.900 0.003 0.000 1.304 193 Y CA -0.531 57.571 58.100 0.003 0.000 1.465 193 Y CB 0.739 39.202 38.460 0.004 0.000 1.350 193 Y HN 0.065 nan 8.280 nan 0.000 0.575 194 V N 1.713 121.734 119.914 0.177 0.000 2.663 194 V HA 0.210 4.330 4.120 0.000 0.000 0.286 194 V C -1.174 174.972 176.094 0.086 0.000 1.085 194 V CA -0.868 61.490 62.300 0.097 0.000 0.916 194 V CB 1.336 33.190 31.823 0.052 0.000 1.039 194 V HN 0.486 nan 8.190 nan 0.000 0.453 195 V N 3.338 123.298 119.914 0.076 0.000 2.472 195 V HA 0.505 4.625 4.120 0.000 0.000 0.290 195 V C -0.181 175.934 176.094 0.036 0.000 1.037 195 V CA -0.348 61.986 62.300 0.057 0.000 0.908 195 V CB 1.972 33.825 31.823 0.050 0.000 0.985 195 V HN 0.867 nan 8.190 nan 0.000 0.454 196 D N 4.117 124.532 120.400 0.025 0.000 2.453 196 D HA 0.298 4.938 4.640 0.000 0.000 0.238 196 D C 0.742 177.047 176.300 0.009 0.000 1.088 196 D CA -0.380 53.629 54.000 0.016 0.000 0.854 196 D CB 1.698 42.503 40.800 0.009 0.000 1.076 196 D HN 0.449 nan 8.370 nan 0.000 0.533 197 L N 2.383 123.615 121.223 0.016 0.000 2.549 197 L HA -0.054 4.286 4.340 0.000 0.000 0.229 197 L C 1.391 178.259 176.870 -0.002 0.000 1.158 197 L CA 0.435 55.283 54.840 0.014 0.000 0.842 197 L CB -0.033 42.053 42.059 0.046 0.000 0.952 197 L HN 0.305 nan 8.230 nan 0.000 0.452 198 D N 0.248 120.647 120.400 -0.002 0.000 2.348 198 D HA -0.098 4.542 4.640 0.000 0.000 0.216 198 D C 1.187 177.464 176.300 -0.038 0.000 0.970 198 D CA 0.687 54.680 54.000 -0.011 0.000 0.889 198 D CB -0.030 40.767 40.800 -0.005 0.000 0.912 198 D HN 0.343 nan 8.370 nan 0.000 0.524 199 N N 0.329 119.003 118.700 -0.044 0.000 2.314 199 N HA 0.107 4.847 4.740 0.000 0.000 0.200 199 N C 0.023 175.473 175.510 -0.100 0.000 1.135 199 N CA 0.142 53.156 53.050 -0.060 0.000 0.835 199 N CB 1.047 39.510 38.487 -0.040 0.000 0.989 199 N HN 0.273 nan 8.380 nan 0.000 0.478 200 I N 0.709 121.195 120.570 -0.141 0.000 2.439 200 I HA 0.207 4.377 4.170 0.000 0.000 0.283 200 I C -0.043 175.848 176.117 -0.376 0.000 1.023 200 I CA -0.705 60.434 61.300 -0.268 0.000 1.100 200 I CB 1.924 39.738 38.000 -0.309 0.000 1.238 200 I HN -0.272 nan 8.210 nan 0.000 0.445 201 K N 6.385 126.573 120.400 -0.354 0.000 2.159 201 K HA 0.579 4.899 4.320 0.000 0.000 0.266 201 K C -1.477 174.882 176.600 -0.402 0.000 0.975 201 K CA -0.411 55.706 56.287 -0.282 0.000 0.865 201 K CB 1.194 33.603 32.500 -0.152 0.000 1.087 201 K HN 0.312 nan 8.250 nan 0.000 0.446 202 F N 2.212 122.148 119.950 -0.024 0.000 2.436 202 F HA 0.240 4.767 4.527 0.000 0.000 0.340 202 F C 0.066 175.850 175.800 -0.027 0.000 1.113 202 F CA -0.706 57.283 58.000 -0.019 0.000 1.022 202 F CB 1.756 40.747 39.000 -0.015 0.000 1.128 202 F HN 0.508 nan 8.300 nan 0.000 0.466 203 E N 3.774 124.060 120.200 0.144 0.000 2.145 203 E HA 0.317 4.667 4.350 0.000 0.000 0.262 203 E C -1.372 175.273 176.600 0.075 0.000 0.883 203 E CA -0.692 55.747 56.400 0.065 0.000 0.748 203 E CB 0.814 30.514 29.700 0.000 0.000 1.140 203 E HN 0.408 nan 8.360 nan 0.000 0.417 204 K N 3.672 124.104 120.400 0.054 0.000 2.183 204 K HA 0.503 4.823 4.320 0.000 0.000 0.274 204 K C -0.642 175.972 176.600 0.023 0.000 1.009 204 K CA -0.993 55.315 56.287 0.036 0.000 0.888 204 K CB 1.142 33.650 32.500 0.014 0.000 1.078 204 K HN 0.091 nan 8.250 nan 0.000 0.459 205 K N 1.815 122.232 120.400 0.028 0.000 2.615 205 K HA 0.353 4.673 4.320 0.000 0.000 0.249 205 K C -0.851 175.764 176.600 0.025 0.000 0.977 205 K CA -0.561 55.743 56.287 0.028 0.000 0.833 205 K CB 1.968 34.494 32.500 0.044 0.000 1.208 205 K HN 0.791 nan 8.250 nan 0.000 0.443 206 A N 1.261 124.092 122.820 0.019 0.000 2.386 206 A HA 0.688 5.008 4.320 0.000 0.000 0.246 206 A C 0.585 178.183 177.584 0.023 0.000 1.089 206 A CA 1.024 53.072 52.037 0.019 0.000 0.790 206 A CB -0.148 18.862 19.000 0.017 0.000 1.042 206 A HN 0.963 nan 8.150 nan 0.000 0.497 207 G N -0.401 108.412 108.800 0.022 0.000 2.629 207 G HA2 0.409 4.369 3.960 0.000 0.000 0.686 207 G HA3 0.409 4.369 3.960 0.000 0.000 0.686 207 G C -0.425 174.486 174.900 0.018 0.000 1.232 207 G CA -0.034 45.078 45.100 0.021 0.000 0.803 207 G HN 1.770 nan 8.290 nan 0.000 0.638 208 E N -2.216 117.993 120.200 0.015 0.000 6.884 208 E HA -0.009 4.341 4.350 0.000 0.000 0.172 208 E C 0.729 177.332 176.600 0.005 0.000 1.455 208 E CA 1.528 57.934 56.400 0.009 0.000 2.484 208 E CB -1.329 28.375 29.700 0.006 0.000 1.770 208 E HN 2.123 nan 8.360 nan 0.000 0.475 209 G N -1.122 107.673 108.800 -0.008 0.000 2.568 209 G HA2 0.502 4.462 3.960 0.000 0.000 0.313 209 G HA3 0.502 4.462 3.960 0.000 0.000 0.313 209 G C 0.806 175.658 174.900 -0.080 0.000 1.227 209 G CA -0.096 44.991 45.100 -0.022 0.000 0.979 209 G HN 0.245 nan 8.290 nan 0.000 0.486 210 V N 0.560 120.372 119.914 -0.171 0.000 3.078 210 V HA -0.076 4.044 4.120 0.000 0.000 0.265 210 V C 2.400 178.296 176.094 -0.331 0.000 1.122 210 V CA 1.397 63.524 62.300 -0.288 0.000 1.141 210 V CB -0.377 31.157 31.823 -0.482 0.000 0.735 210 V HN 0.636 nan 8.190 nan 0.000 0.498 211 E N 0.544 120.578 120.200 -0.277 0.000 2.204 211 E HA -0.172 4.178 4.350 0.000 0.000 0.195 211 E C 2.001 178.556 176.600 -0.075 0.000 0.990 211 E CA 0.885 57.197 56.400 -0.148 0.000 0.821 211 E CB -0.086 29.586 29.700 -0.046 0.000 0.750 211 E HN 0.680 nan 8.360 nan 0.000 0.477 212 E N 0.611 120.773 120.200 -0.062 0.000 2.442 212 E HA 0.060 4.410 4.350 0.000 0.000 0.195 212 E C 0.664 177.253 176.600 -0.018 0.000 1.030 212 E CA -0.004 56.379 56.400 -0.030 0.000 0.869 212 E CB -0.155 29.535 29.700 -0.017 0.000 0.857 212 E HN -0.076 nan 8.360 nan 0.000 0.505 213 S N 1.777 117.458 115.700 -0.031 0.000 2.559 213 S HA 0.087 4.557 4.470 0.000 0.000 0.282 213 S C 0.497 175.104 174.600 0.012 0.000 1.336 213 S CA 0.307 58.507 58.200 -0.001 0.000 1.037 213 S CB 0.308 63.502 63.200 -0.010 0.000 0.853 213 S HN 0.329 nan 8.310 nan 0.000 0.523 214 E N -0.046 120.175 120.200 0.035 0.000 2.429 214 E HA 0.567 4.917 4.350 0.000 0.000 0.280 214 E C -1.747 174.878 176.600 0.041 0.000 1.068 214 E CA -1.035 55.384 56.400 0.032 0.000 0.837 214 E CB 0.677 30.392 29.700 0.025 0.000 1.357 214 E HN 0.299 nan 8.360 nan 0.000 0.455 215 L N 1.465 122.706 121.223 0.029 0.000 2.280 215 L HA 0.439 4.779 4.340 0.000 0.000 0.287 215 L C -1.395 175.490 176.870 0.025 0.000 1.023 215 L CA -0.670 54.181 54.840 0.020 0.000 0.819 215 L CB 1.624 43.689 42.059 0.010 0.000 1.212 215 L HN 0.527 nan 8.230 nan 0.000 0.420 216 V N 6.518 126.452 119.914 0.032 0.000 2.353 216 V HA 0.335 4.455 4.120 0.000 0.000 0.264 216 V C 0.870 176.973 176.094 0.016 0.000 1.049 216 V CA -0.454 61.877 62.300 0.051 0.000 0.896 216 V CB 0.570 32.456 31.823 0.105 0.000 1.025 216 V HN 0.643 nan 8.190 nan 0.000 0.475 217 R N 4.282 124.789 120.500 0.013 0.000 4.860 217 R HA 0.385 4.726 4.340 0.000 0.000 0.191 217 R C 0.866 177.163 176.300 -0.005 0.000 1.936 217 R CA 0.343 56.444 56.100 0.001 0.000 1.609 217 R CB -0.041 30.264 30.300 0.008 0.000 1.392 217 R HN 0.918 nan 8.270 nan 0.000 0.844 218 G N -0.854 107.938 108.800 -0.013 0.000 2.818 218 G HA2 0.276 4.236 3.960 0.000 0.000 0.109 218 G HA3 0.276 4.236 3.960 0.000 0.000 0.109 218 G C -1.367 173.502 174.900 -0.052 0.000 1.206 218 G CA -0.321 44.762 45.100 -0.028 0.000 1.243 218 G HN 0.072 nan 8.290 nan 0.000 0.609 219 V N -0.175 119.701 119.914 -0.063 0.000 3.012 219 V HA 0.669 4.789 4.120 0.000 0.000 0.307 219 V C -0.875 175.138 176.094 -0.135 0.000 1.166 219 V CA -0.623 61.611 62.300 -0.111 0.000 0.974 219 V CB 2.030 33.755 31.823 -0.163 0.000 1.040 219 V HN 0.665 nan 8.190 nan 0.000 0.428 220 V N 4.907 124.707 119.914 -0.190 0.000 2.487 220 V HA 0.575 4.695 4.120 0.000 0.000 0.298 220 V C -0.388 175.545 176.094 -0.267 0.000 1.028 220 V CA -0.348 61.751 62.300 -0.336 0.000 0.860 220 V CB 1.706 33.260 31.823 -0.448 0.000 0.991 220 V HN 0.651 nan 8.190 nan 0.000 0.427 221 I N 2.837 123.255 120.570 -0.253 0.000 2.603 221 I HA 0.414 4.584 4.170 0.000 0.000 0.300 221 I C -0.468 175.568 176.117 -0.136 0.000 1.017 221 I CA -0.509 60.697 61.300 -0.157 0.000 1.098 221 I CB 2.308 40.248 38.000 -0.101 0.000 1.279 221 I HN 0.560 nan 8.210 nan 0.000 0.437 222 D N 5.590 125.939 120.400 -0.085 0.000 2.781 222 D HA 0.273 4.913 4.640 0.000 0.000 0.254 222 D C -0.642 175.647 176.300 -0.018 0.000 1.213 222 D CA 0.097 54.062 54.000 -0.058 0.000 0.994 222 D CB 0.288 41.059 40.800 -0.047 0.000 1.019 222 D HN 0.250 nan 8.370 nan 0.000 0.514 223 K N 0.678 121.078 120.400 0.001 0.000 2.499 223 K HA 0.466 4.786 4.320 0.000 0.000 0.277 223 K C -0.415 176.206 176.600 0.034 0.000 1.025 223 K CA -0.829 55.474 56.287 0.027 0.000 0.900 223 K CB 2.271 34.805 32.500 0.056 0.000 1.494 223 K HN 0.089 nan 8.250 nan 0.000 0.442 224 E N 0.298 120.519 120.200 0.035 0.000 2.316 224 E HA 0.377 4.727 4.350 0.000 0.000 0.258 224 E C -0.756 175.862 176.600 0.029 0.000 0.952 224 E CA -1.109 55.311 56.400 0.033 0.000 0.818 224 E CB 1.661 31.376 29.700 0.024 0.000 1.260 224 E HN 0.091 nan 8.360 nan 0.000 0.416 225 V N 1.923 121.851 119.914 0.023 0.000 2.508 225 V HA -0.061 4.059 4.120 0.000 0.000 0.281 225 V C 1.242 177.350 176.094 0.024 0.000 1.041 225 V CA 0.174 62.480 62.300 0.010 0.000 1.016 225 V CB 1.165 32.995 31.823 0.011 0.000 0.984 225 V HN 0.609 nan 8.190 nan 0.000 0.478 226 V N 4.264 124.194 119.914 0.025 0.000 2.688 226 V HA -0.128 3.992 4.120 0.000 0.000 0.256 226 V C 0.864 177.000 176.094 0.070 0.000 1.084 226 V CA 1.779 64.103 62.300 0.040 0.000 1.103 226 V CB -0.515 31.333 31.823 0.041 0.000 0.688 226 V HN 0.956 nan 8.190 nan 0.000 0.480 227 H N -1.083 117.975 119.070 -0.019 0.000 2.600 227 H HA 0.374 4.930 4.556 0.000 0.000 0.357 227 H C -2.125 173.192 175.328 -0.019 0.000 1.106 227 H CA -1.778 54.259 56.048 -0.019 0.000 1.193 227 H CB 2.361 32.107 29.762 -0.028 0.000 1.594 227 H HN -0.004 nan 8.280 nan 0.000 0.526 228 P HA -0.048 nan 4.420 nan 0.000 0.219 228 P C 0.914 178.316 177.300 0.171 0.000 1.146 228 P CA 0.982 64.125 63.100 0.072 0.000 0.808 228 P CB 0.405 32.081 31.700 -0.039 0.000 0.779 229 R N -1.556 119.174 120.500 0.383 0.000 2.359 229 R HA 0.288 4.628 4.340 0.000 0.000 0.231 229 R C 0.678 176.980 176.300 0.003 0.000 0.913 229 R CA 0.102 56.283 56.100 0.134 0.000 1.075 229 R CB -0.255 30.093 30.300 0.079 0.000 1.087 229 R HN 0.361 nan 8.270 nan 0.000 0.515 230 M N 0.992 120.606 119.600 0.023 0.000 2.359 230 M HA 0.318 4.798 4.480 0.000 0.000 0.322 230 M C -2.160 174.135 176.300 -0.009 0.000 1.166 230 M CA -1.903 53.378 55.300 -0.031 0.000 1.067 230 M CB 0.622 33.205 32.600 -0.029 0.000 1.523 230 M HN -0.335 nan 8.290 nan 0.000 0.467 231 P HA 0.021 nan 4.420 nan 0.000 0.265 231 P C -0.257 177.043 177.300 -0.000 0.000 1.193 231 P CA 0.050 63.146 63.100 -0.006 0.000 0.765 231 P CB 0.489 32.184 31.700 -0.009 0.000 0.823 232 K N 1.914 122.320 120.400 0.010 0.000 2.374 232 K HA 0.116 4.436 4.320 0.000 0.000 0.196 232 K C 0.556 177.171 176.600 0.025 0.000 1.023 232 K CA 0.362 56.661 56.287 0.019 0.000 1.103 232 K CB 0.441 32.956 32.500 0.024 0.000 0.848 232 K HN 0.414 nan 8.250 nan 0.000 0.528 233 R N 0.306 120.816 120.500 0.017 0.000 2.508 233 R HA 0.270 4.610 4.340 0.000 0.000 0.283 233 R C -1.693 174.615 176.300 0.013 0.000 1.120 233 R CA -0.247 55.865 56.100 0.019 0.000 0.958 233 R CB 1.329 31.639 30.300 0.016 0.000 1.215 233 R HN -0.237 nan 8.270 nan 0.000 0.427 234 V N 4.032 123.954 119.914 0.014 0.000 2.581 234 V HA 0.314 4.434 4.120 0.000 0.000 0.303 234 V C 0.418 176.521 176.094 0.014 0.000 1.041 234 V CA -0.675 61.632 62.300 0.012 0.000 0.907 234 V CB 1.842 33.669 31.823 0.007 0.000 0.994 234 V HN 0.815 nan 8.190 nan 0.000 0.442 235 E N 1.908 122.121 120.200 0.023 0.000 2.040 235 E HA 0.118 4.468 4.350 0.000 0.000 0.205 235 E C 0.289 176.918 176.600 0.048 0.000 0.936 235 E CA 0.478 56.897 56.400 0.032 0.000 0.900 235 E CB -0.065 29.660 29.700 0.041 0.000 0.889 235 E HN 0.568 nan 8.360 nan 0.000 0.503 236 N N 1.508 120.268 118.700 0.099 0.000 2.602 236 N HA 0.290 5.030 4.740 0.000 0.000 0.238 236 N C -0.806 174.807 175.510 0.173 0.000 1.084 236 N CA 0.010 53.187 53.050 0.211 0.000 0.952 236 N CB 1.067 39.723 38.487 0.281 0.000 1.244 236 N HN 0.103 nan 8.380 nan 0.000 0.512 237 A N 2.665 125.528 122.820 0.072 0.000 2.331 237 A HA 0.289 4.609 4.320 0.000 0.000 0.283 237 A C 0.198 177.856 177.584 0.124 0.000 1.142 237 A CA -0.392 51.680 52.037 0.059 0.000 0.812 237 A CB 0.683 19.683 19.000 0.001 0.000 1.074 237 A HN 0.441 nan 8.150 nan 0.000 0.497 238 K N 2.812 123.278 120.400 0.110 0.000 2.334 238 K HA 0.456 4.776 4.320 0.000 0.000 0.265 238 K C -1.226 175.425 176.600 0.086 0.000 1.039 238 K CA 0.091 56.447 56.287 0.115 0.000 0.920 238 K CB 1.214 33.766 32.500 0.087 0.000 1.160 238 K HN 0.634 nan 8.250 nan 0.000 0.451 239 I N 2.185 122.818 120.570 0.104 0.000 2.396 239 I HA 0.314 4.484 4.170 0.000 0.000 0.292 239 I C -0.012 176.178 176.117 0.121 0.000 0.999 239 I CA -0.486 60.891 61.300 0.127 0.000 1.310 239 I CB 1.653 39.768 38.000 0.192 0.000 1.404 239 I HN 0.553 nan 8.210 nan 0.000 0.496 240 A N 7.081 129.974 122.820 0.122 0.000 2.330 240 A HA 0.739 5.059 4.320 0.000 0.000 0.313 240 A C -1.101 176.569 177.584 0.144 0.000 1.124 240 A CA -0.498 51.600 52.037 0.103 0.000 0.774 240 A CB 0.831 19.869 19.000 0.063 0.000 1.198 240 A HN 0.468 nan 8.150 nan 0.000 0.465 241 L N 4.344 125.640 121.223 0.121 0.000 2.272 241 L HA 0.392 4.732 4.340 0.000 0.000 0.284 241 L C -0.476 176.443 176.870 0.082 0.000 1.045 241 L CA -0.333 54.582 54.840 0.125 0.000 0.842 241 L CB 0.546 42.654 42.059 0.083 0.000 1.224 241 L HN 0.482 nan 8.230 nan 0.000 0.430 242 I N 3.302 123.923 120.570 0.086 0.000 2.330 242 I HA 0.215 4.386 4.170 0.000 0.000 0.289 242 I C 0.721 176.870 176.117 0.053 0.000 1.001 242 I CA -0.257 61.077 61.300 0.057 0.000 1.193 242 I CB 1.252 39.284 38.000 0.052 0.000 1.345 242 I HN 0.466 nan 8.210 nan 0.000 0.461 243 N N 5.813 124.535 118.700 0.037 0.000 2.714 243 N HA 0.110 4.850 4.740 0.000 0.000 0.298 243 N C -0.243 175.282 175.510 0.024 0.000 1.298 243 N CA -0.008 53.061 53.050 0.031 0.000 1.007 243 N CB 0.374 38.874 38.487 0.022 0.000 1.318 243 N HN 0.692 nan 8.380 nan 0.000 0.516 244 E N -0.585 119.632 120.200 0.028 0.000 2.367 244 E HA 0.641 4.991 4.350 0.000 0.000 0.273 244 E C -1.337 175.282 176.600 0.031 0.000 0.903 244 E CA -1.145 55.270 56.400 0.023 0.000 0.764 244 E CB 1.626 31.336 29.700 0.017 0.000 1.252 244 E HN 0.220 nan 8.360 nan 0.000 0.446 245 A N 3.328 126.166 122.820 0.029 0.000 2.347 245 A HA 0.294 4.615 4.320 0.000 0.000 0.287 245 A C -0.411 177.197 177.584 0.041 0.000 1.199 245 A CA -0.388 51.669 52.037 0.034 0.000 0.851 245 A CB 0.030 19.049 19.000 0.030 0.000 1.118 245 A HN 0.464 nan 8.150 nan 0.000 0.525 246 L N 3.936 125.188 121.223 0.048 0.000 2.416 246 L HA 0.189 4.530 4.340 0.000 0.000 0.243 246 L C 0.640 177.548 176.870 0.063 0.000 1.373 246 L CA 0.820 55.696 54.840 0.060 0.000 1.227 246 L CB -1.327 40.772 42.059 0.066 0.000 1.428 246 L HN 0.840 nan 8.230 nan 0.000 0.425 247 E N -1.059 119.175 120.200 0.057 0.000 2.430 247 E HA 0.328 4.678 4.350 0.000 0.000 0.279 247 E C -0.819 175.813 176.600 0.053 0.000 1.003 247 E CA -1.139 55.294 56.400 0.056 0.000 0.801 247 E CB 1.285 31.012 29.700 0.045 0.000 1.313 247 E HN -0.210 nan 8.360 nan 0.000 0.459 248 V N 2.546 122.493 119.914 0.055 0.000 2.568 248 V HA -0.100 4.020 4.120 0.000 0.000 0.270 248 V C 0.645 176.766 176.094 0.044 0.000 0.963 248 V CA 0.627 62.959 62.300 0.054 0.000 1.161 248 V CB -1.600 30.256 31.823 0.054 0.000 0.969 248 V HN 0.498 nan 8.190 nan 0.000 0.464 249 K N 4.573 124.999 120.400 0.043 0.000 2.397 249 K HA 0.264 4.584 4.320 0.000 0.000 0.265 249 K C -0.093 176.528 176.600 0.034 0.000 0.982 249 K CA 0.113 56.421 56.287 0.035 0.000 0.931 249 K CB 0.546 33.066 32.500 0.033 0.000 0.943 249 K HN 0.599 nan 8.250 nan 0.000 0.501 250 K N 0.575 120.991 120.400 0.027 0.000 2.477 250 K HA 0.189 4.509 4.320 0.000 0.000 0.255 250 K C -0.733 175.879 176.600 0.021 0.000 0.952 250 K CA -0.729 55.573 56.287 0.024 0.000 0.826 250 K CB 2.000 34.511 32.500 0.019 0.000 1.331 250 K HN 0.658 nan 8.250 nan 0.000 0.437 251 T N -0.954 113.612 114.554 0.021 0.000 2.898 251 T HA 0.059 4.409 4.350 0.000 0.000 0.301 251 T C 1.020 175.728 174.700 0.013 0.000 1.049 251 T CA -0.408 61.703 62.100 0.018 0.000 1.095 251 T CB 1.072 69.951 68.868 0.019 0.000 0.976 251 T HN 0.574 nan 8.240 nan 0.000 0.539 252 E N 0.988 121.195 120.200 0.012 0.000 2.106 252 E HA 0.016 4.366 4.350 0.000 0.000 0.192 252 E C 0.639 177.244 176.600 0.008 0.000 0.984 252 E CA 0.809 57.215 56.400 0.009 0.000 0.806 252 E CB -0.336 29.369 29.700 0.008 0.000 0.750 252 E HN 0.781 nan 8.360 nan 0.000 0.458 253 T N 1.813 116.372 114.554 0.009 0.000 2.814 253 T HA 0.018 4.368 4.350 0.000 0.000 0.297 253 T C -0.300 174.404 174.700 0.007 0.000 0.956 253 T CA -0.447 61.658 62.100 0.008 0.000 1.123 253 T CB 0.655 69.529 68.868 0.009 0.000 0.902 253 T HN 0.041 nan 8.240 nan 0.000 0.528 254 D N 2.192 122.594 120.400 0.005 0.000 2.583 254 D HA 0.267 4.907 4.640 0.000 0.000 0.232 254 D C -0.335 175.967 176.300 0.002 0.000 1.128 254 D CA 0.512 54.514 54.000 0.002 0.000 0.859 254 D CB 0.245 41.045 40.800 0.001 0.000 1.169 254 D HN 0.744 nan 8.370 nan 0.000 0.481 255 A N 3.368 126.188 122.820 -0.000 0.000 2.574 255 A HA 0.633 4.953 4.320 0.000 0.000 0.297 255 A C -0.952 176.624 177.584 -0.014 0.000 1.062 255 A CA -0.859 51.177 52.037 -0.002 0.000 0.686 255 A CB 1.617 20.622 19.000 0.007 0.000 1.285 255 A HN 0.520 nan 8.150 nan 0.000 0.403 256 K N 1.476 121.863 120.400 -0.022 0.000 2.508 256 K HA 0.724 5.044 4.320 0.000 0.000 0.260 256 K C -1.597 174.961 176.600 -0.070 0.000 0.949 256 K CA -0.695 55.564 56.287 -0.047 0.000 0.834 256 K CB 1.634 34.109 32.500 -0.042 0.000 1.365 256 K HN 0.670 nan 8.250 nan 0.000 0.437 257 I N 3.167 123.655 120.570 -0.137 0.000 2.331 257 I HA 0.199 4.369 4.170 0.000 0.000 0.292 257 I C -0.395 175.609 176.117 -0.188 0.000 0.998 257 I CA -0.916 60.246 61.300 -0.230 0.000 1.267 257 I CB 1.227 38.910 38.000 -0.527 0.000 1.386 257 I HN 0.412 nan 8.210 nan 0.000 0.476 258 N N 7.557 126.189 118.700 -0.113 0.000 2.949 258 N HA 0.278 5.018 4.740 0.000 0.000 0.243 258 N C -0.467 175.023 175.510 -0.032 0.000 1.113 258 N CA -0.547 52.468 53.050 -0.058 0.000 0.980 258 N CB 0.598 39.078 38.487 -0.012 0.000 1.256 258 N HN 0.398 nan 8.380 nan 0.000 0.508 259 I N 1.329 121.858 120.570 -0.068 0.000 2.741 259 I HA -0.109 4.061 4.170 0.000 0.000 0.288 259 I C 1.846 177.981 176.117 0.029 0.000 1.192 259 I CA 0.766 62.068 61.300 0.004 0.000 1.426 259 I CB 0.265 38.255 38.000 -0.017 0.000 1.367 259 I HN 0.443 nan 8.210 nan 0.000 0.563 260 T N -0.039 114.552 114.554 0.061 0.000 2.975 260 T HA 0.304 4.654 4.350 0.000 0.000 0.257 260 T C 0.310 175.035 174.700 0.042 0.000 1.003 260 T CA 0.304 62.431 62.100 0.044 0.000 0.932 260 T CB 0.017 68.912 68.868 0.046 0.000 1.087 260 T HN 0.599 nan 8.240 nan 0.000 0.512 261 S N 0.132 115.865 115.700 0.055 0.000 2.533 261 S HA 0.544 5.015 4.470 0.000 0.000 0.271 261 S C -2.829 171.801 174.600 0.051 0.000 1.143 261 S CA -1.122 57.105 58.200 0.044 0.000 0.891 261 S CB 1.874 65.096 63.200 0.038 0.000 1.105 261 S HN -0.185 nan 8.310 nan 0.000 0.468 262 P HA -0.236 nan 4.420 nan 0.000 0.218 262 P C 1.156 178.481 177.300 0.042 0.000 1.154 262 P CA 2.008 65.129 63.100 0.035 0.000 0.872 262 P CB -0.112 31.602 31.700 0.024 0.000 0.790 263 D N -0.632 119.789 120.400 0.036 0.000 2.218 263 D HA -0.210 4.430 4.640 0.000 0.000 0.204 263 D C 1.735 178.064 176.300 0.048 0.000 0.976 263 D CA 1.103 55.122 54.000 0.031 0.000 0.853 263 D CB -0.960 39.850 40.800 0.016 0.000 0.939 263 D HN 0.296 nan 8.370 nan 0.000 0.481 264 Q N -0.053 119.795 119.800 0.081 0.000 2.226 264 Q HA -0.003 4.337 4.340 0.000 0.000 0.204 264 Q C 2.543 178.690 176.000 0.246 0.000 0.975 264 Q CA 0.474 56.374 55.803 0.161 0.000 0.866 264 Q CB -0.032 28.850 28.738 0.240 0.000 0.915 264 Q HN 0.387 nan 8.270 nan 0.000 0.440 265 L N -0.393 120.922 121.223 0.154 0.000 2.079 265 L HA -0.217 4.123 4.340 0.000 0.000 0.210 265 L C 2.324 179.273 176.870 0.131 0.000 1.081 265 L CA 0.755 55.675 54.840 0.133 0.000 0.752 265 L CB -0.332 41.767 42.059 0.068 0.000 0.896 265 L HN 0.363 nan 8.230 nan 0.000 0.433 266 M N -0.460 119.194 119.600 0.090 0.000 2.193 266 M HA -0.093 4.387 4.480 0.000 0.000 0.265 266 M C 2.745 179.079 176.300 0.056 0.000 1.071 266 M CA 1.835 57.172 55.300 0.062 0.000 1.140 266 M CB -1.101 31.519 32.600 0.034 0.000 1.369 266 M HN 0.362 nan 8.290 nan 0.000 0.423 267 S N 0.095 115.811 115.700 0.027 0.000 2.370 267 S HA -0.133 4.338 4.470 0.000 0.000 0.226 267 S C 2.000 176.549 174.600 -0.085 0.000 1.033 267 S CA 1.151 59.312 58.200 -0.065 0.000 1.011 267 S CB -1.099 62.004 63.200 -0.161 0.000 0.852 267 S HN 0.361 nan 8.310 nan 0.000 0.457 268 F N 1.086 121.043 119.950 0.011 0.000 2.163 268 F HA 0.143 4.670 4.527 0.000 0.000 0.297 268 F C 2.164 177.973 175.800 0.016 0.000 1.094 268 F CA 0.561 58.569 58.000 0.013 0.000 1.290 268 F CB -0.385 38.622 39.000 0.011 0.000 1.017 268 F HN 0.169 nan 8.300 nan 0.000 0.483 269 L N 0.187 121.533 121.223 0.204 0.000 2.046 269 L HA -0.212 4.128 4.340 0.000 0.000 0.208 269 L C 2.178 179.103 176.870 0.093 0.000 1.077 269 L CA 1.788 56.702 54.840 0.123 0.000 0.747 269 L CB -0.767 41.343 42.059 0.084 0.000 0.896 269 L HN 0.118 nan 8.230 nan 0.000 0.432 270 E N -1.315 118.926 120.200 0.069 0.000 2.072 270 E HA -0.282 4.068 4.350 0.000 0.000 0.191 270 E C 2.115 178.742 176.600 0.044 0.000 0.985 270 E CA 0.918 57.347 56.400 0.050 0.000 0.801 270 E CB -0.115 29.599 29.700 0.023 0.000 0.750 270 E HN 0.341 nan 8.360 nan 0.000 0.452 271 Q N 1.426 121.243 119.800 0.028 0.000 2.181 271 Q HA -0.212 4.128 4.340 0.000 0.000 0.205 271 Q C 1.470 177.505 176.000 0.058 0.000 0.980 271 Q CA 1.689 57.502 55.803 0.017 0.000 0.862 271 Q CB 0.026 28.750 28.738 -0.023 0.000 0.905 271 Q HN 0.340 nan 8.270 nan 0.000 0.429 272 E N -0.297 119.957 120.200 0.090 0.000 2.122 272 E HA -0.110 4.240 4.350 0.000 0.000 0.190 272 E C 1.895 178.554 176.600 0.099 0.000 0.977 272 E CA 0.810 57.266 56.400 0.095 0.000 0.820 272 E CB -0.020 29.741 29.700 0.102 0.000 0.770 272 E HN 0.542 nan 8.360 nan 0.000 0.462 273 E N 1.332 121.597 120.200 0.109 0.000 2.160 273 E HA -0.209 4.141 4.350 0.000 0.000 0.195 273 E C 2.042 178.723 176.600 0.136 0.000 0.991 273 E CA 0.826 57.325 56.400 0.167 0.000 0.810 273 E CB -0.045 29.763 29.700 0.180 0.000 0.742 273 E HN 0.103 nan 8.360 nan 0.000 0.466 274 K N 0.916 121.355 120.400 0.066 0.000 2.001 274 K HA -0.125 4.195 4.320 0.000 0.000 0.208 274 K C 2.230 178.836 176.600 0.010 0.000 1.048 274 K CA 1.193 57.485 56.287 0.007 0.000 0.932 274 K CB -0.037 32.464 32.500 0.002 0.000 0.715 274 K HN 0.061 nan 8.250 nan 0.000 0.437 275 M N 0.615 120.239 119.600 0.040 0.000 2.106 275 M HA -0.224 4.256 4.480 0.000 0.000 0.259 275 M C 2.182 178.519 176.300 0.062 0.000 1.068 275 M CA 1.295 56.625 55.300 0.050 0.000 1.100 275 M CB -0.318 32.318 32.600 0.060 0.000 1.351 275 M HN 0.125 nan 8.290 nan 0.000 0.404 276 L N 0.347 121.622 121.223 0.087 0.000 2.005 276 L HA -0.150 4.190 4.340 0.000 0.000 0.207 276 L C 2.433 179.364 176.870 0.102 0.000 1.072 276 L CA 1.845 56.759 54.840 0.124 0.000 0.744 276 L CB -0.717 41.454 42.059 0.187 0.000 0.895 276 L HN 0.224 nan 8.230 nan 0.000 0.433 277 K N -0.825 119.570 120.400 -0.007 0.000 2.283 277 K HA -0.163 4.157 4.320 0.000 0.000 0.202 277 K C 1.403 177.914 176.600 -0.149 0.000 1.048 277 K CA 1.220 57.318 56.287 -0.316 0.000 0.948 277 K CB 0.026 32.000 32.500 -0.876 0.000 0.742 277 K HN 0.289 nan 8.250 nan 0.000 0.458 278 D N 0.389 120.754 120.400 -0.058 0.000 2.224 278 D HA -0.097 4.543 4.640 0.000 0.000 0.205 278 D C 1.787 178.126 176.300 0.065 0.000 0.965 278 D CA 1.041 55.025 54.000 -0.027 0.000 0.852 278 D CB 0.089 40.891 40.800 0.004 0.000 0.947 278 D HN 0.339 nan 8.370 nan 0.000 0.494 279 M N -0.055 119.608 119.600 0.105 0.000 2.160 279 M HA -0.084 4.396 4.480 0.000 0.000 0.264 279 M C 2.316 178.702 176.300 0.144 0.000 1.073 279 M CA 0.724 56.115 55.300 0.152 0.000 1.142 279 M CB -0.114 32.553 32.600 0.111 0.000 1.358 279 M HN -0.150 nan 8.290 nan 0.000 0.422 280 V N 0.855 120.846 119.914 0.129 0.000 2.392 280 V HA -0.286 3.834 4.120 0.000 0.000 0.249 280 V C 1.754 177.950 176.094 0.171 0.000 1.059 280 V CA 1.825 64.229 62.300 0.174 0.000 1.051 280 V CB -0.850 31.111 31.823 0.230 0.000 0.658 280 V HN 0.400 nan 8.190 nan 0.000 0.455 281 D N -1.148 119.309 120.400 0.095 0.000 2.084 281 D HA -0.152 4.488 4.640 0.000 0.000 0.196 281 D C 2.173 178.439 176.300 -0.057 0.000 0.985 281 D CA 1.234 55.212 54.000 -0.037 0.000 0.826 281 D CB -0.450 40.280 40.800 -0.116 0.000 0.978 281 D HN 0.435 nan 8.370 nan 0.000 0.456 282 H N 0.291 119.346 119.070 -0.025 0.000 2.431 282 H HA -0.108 4.449 4.556 0.000 0.000 0.297 282 H C 2.296 177.609 175.328 -0.025 0.000 1.115 282 H CA 0.850 56.883 56.048 -0.025 0.000 1.277 282 H CB -0.094 29.664 29.762 -0.007 0.000 1.372 282 H HN 0.249 nan 8.280 nan 0.000 0.516 283 I N -0.297 120.344 120.570 0.119 0.000 2.277 283 I HA -0.144 4.026 4.170 0.000 0.000 0.243 283 I C 2.797 178.917 176.117 0.006 0.000 1.094 283 I CA 0.770 62.108 61.300 0.065 0.000 1.393 283 I CB -0.295 37.749 38.000 0.073 0.000 1.078 283 I HN 0.111 nan 8.210 nan 0.000 0.417 284 A N 0.393 123.182 122.820 -0.051 0.000 1.940 284 A HA -0.269 4.051 4.320 0.000 0.000 0.219 284 A C 2.216 179.702 177.584 -0.163 0.000 1.176 284 A CA 1.608 53.545 52.037 -0.167 0.000 0.631 284 A CB -0.673 18.026 19.000 -0.502 0.000 0.814 284 A HN 0.477 nan 8.150 nan 0.000 0.446 285 Q N -0.583 119.132 119.800 -0.142 0.000 2.181 285 Q HA -0.160 4.180 4.340 0.000 0.000 0.205 285 Q C 2.157 178.125 176.000 -0.053 0.000 0.980 285 Q CA 1.966 57.706 55.803 -0.105 0.000 0.862 285 Q CB -0.526 28.163 28.738 -0.082 0.000 0.905 285 Q HN 0.912 nan 8.270 nan 0.000 0.429 286 T N -3.640 110.900 114.554 -0.024 0.000 3.051 286 T HA 0.062 4.412 4.350 0.000 0.000 0.269 286 T C 1.462 176.157 174.700 -0.009 0.000 1.127 286 T CA 0.848 62.946 62.100 -0.004 0.000 1.107 286 T CB 0.114 68.991 68.868 0.015 0.000 0.898 286 T HN 0.495 nan 8.240 nan 0.000 0.517 287 G N 1.014 109.799 108.800 -0.024 0.000 2.194 287 G HA2 -0.014 3.946 3.960 0.000 0.000 0.236 287 G HA3 -0.014 3.946 3.960 0.000 0.000 0.236 287 G C 0.348 175.248 174.900 -0.001 0.000 0.987 287 G CA -0.127 44.963 45.100 -0.017 0.000 0.635 287 G HN 1.223 nan 8.290 nan 0.000 0.520 288 A N 0.627 123.450 122.820 0.006 0.000 2.540 288 A HA 0.482 4.802 4.320 0.000 0.000 0.239 288 A C 1.097 178.687 177.584 0.011 0.000 1.061 288 A CA 1.295 53.343 52.037 0.018 0.000 0.758 288 A CB 0.090 19.104 19.000 0.023 0.000 0.991 288 A HN 1.207 nan 8.150 nan 0.000 0.502 289 N N 0.426 119.133 118.700 0.013 0.000 2.170 289 N HA 0.250 4.990 4.740 0.000 0.000 0.222 289 N C -0.866 174.630 175.510 -0.023 0.000 1.218 289 N CA -0.019 53.034 53.050 0.004 0.000 0.889 289 N CB 0.662 39.157 38.487 0.014 0.000 1.083 289 N HN 0.242 nan 8.380 nan 0.000 0.520 290 V N 0.762 120.651 119.914 -0.041 0.000 2.655 290 V HA 0.443 4.563 4.120 0.000 0.000 0.301 290 V C -1.182 174.817 176.094 -0.158 0.000 1.082 290 V CA -0.825 61.398 62.300 -0.127 0.000 0.899 290 V CB 2.308 34.077 31.823 -0.090 0.000 1.014 290 V HN -0.050 nan 8.190 nan 0.000 0.429 291 V N 4.807 124.560 119.914 -0.267 0.000 2.588 291 V HA 0.592 4.712 4.120 0.000 0.000 0.304 291 V C -0.958 174.925 176.094 -0.352 0.000 1.042 291 V CA -0.618 61.568 62.300 -0.190 0.000 0.877 291 V CB 1.898 33.681 31.823 -0.067 0.000 0.996 291 V HN 0.671 nan 8.190 nan 0.000 0.425 292 F N 3.198 123.159 119.950 0.017 0.000 2.375 292 F HA 0.629 5.156 4.527 0.000 0.000 0.361 292 F C 0.038 175.846 175.800 0.014 0.000 1.117 292 F CA -0.757 57.250 58.000 0.011 0.000 1.037 292 F CB 1.918 40.919 39.000 0.002 0.000 1.192 292 F HN 0.227 nan 8.300 nan 0.000 0.452 293 V N 4.036 124.038 119.914 0.147 0.000 2.435 293 V HA 0.192 4.312 4.120 0.000 0.000 0.290 293 V C 0.714 176.864 176.094 0.094 0.000 1.030 293 V CA -0.531 61.828 62.300 0.099 0.000 0.881 293 V CB 1.643 33.504 31.823 0.062 0.000 0.983 293 V HN 0.844 nan 8.190 nan 0.000 0.445 294 Q N 3.020 122.863 119.800 0.072 0.000 2.123 294 Q HA -0.035 4.305 4.340 0.000 0.000 0.199 294 Q C 1.087 177.112 176.000 0.042 0.000 0.966 294 Q CA 1.128 56.963 55.803 0.053 0.000 0.845 294 Q CB 0.305 29.065 28.738 0.038 0.000 0.907 294 Q HN 0.636 nan 8.270 nan 0.000 0.439 295 K N -0.413 120.011 120.400 0.040 0.000 2.836 295 K HA 0.344 4.664 4.320 0.000 0.000 0.300 295 K C 0.346 176.968 176.600 0.037 0.000 1.004 295 K CA 0.056 56.363 56.287 0.034 0.000 1.140 295 K CB -0.571 31.947 32.500 0.030 0.000 1.458 295 K HN 0.156 nan 8.250 nan 0.000 0.550 296 G N 0.105 108.925 108.800 0.033 0.000 2.580 296 G HA2 0.539 4.499 3.960 0.000 0.000 0.278 296 G HA3 0.539 4.499 3.960 0.000 0.000 0.278 296 G C -0.493 174.431 174.900 0.040 0.000 1.212 296 G CA -0.600 44.520 45.100 0.034 0.000 0.939 296 G HN 0.331 nan 8.290 nan 0.000 0.513 297 I N 0.739 121.334 120.570 0.041 0.000 2.517 297 I HA 0.113 4.283 4.170 0.000 0.000 0.280 297 I C -0.660 175.489 176.117 0.053 0.000 1.061 297 I CA -0.592 60.738 61.300 0.050 0.000 1.091 297 I CB 1.639 39.670 38.000 0.051 0.000 1.205 297 I HN 0.435 nan 8.210 nan 0.000 0.459 298 D N 3.918 124.352 120.400 0.056 0.000 2.515 298 D HA -0.117 4.523 4.640 0.000 0.000 0.230 298 D C 1.081 177.416 176.300 0.058 0.000 1.181 298 D CA 0.885 54.917 54.000 0.053 0.000 0.875 298 D CB 0.941 41.778 40.800 0.063 0.000 1.213 298 D HN 0.451 nan 8.370 nan 0.000 0.478 299 D N 1.284 121.710 120.400 0.043 0.000 2.178 299 D HA -0.124 4.516 4.640 0.000 0.000 0.201 299 D C 2.047 178.377 176.300 0.051 0.000 0.980 299 D CA 0.753 54.780 54.000 0.046 0.000 0.842 299 D CB 0.086 40.895 40.800 0.015 0.000 0.948 299 D HN 0.378 nan 8.370 nan 0.000 0.472 300 L N 0.802 122.040 121.223 0.024 0.000 2.044 300 L HA -0.098 4.242 4.340 0.000 0.000 0.205 300 L C 2.631 179.513 176.870 0.019 0.000 1.075 300 L CA 0.859 55.677 54.840 -0.036 0.000 0.747 300 L CB -0.362 41.695 42.059 -0.003 0.000 0.903 300 L HN -0.044 nan 8.230 nan 0.000 0.435 301 A N -0.526 122.370 122.820 0.128 0.000 1.948 301 A HA -0.305 4.015 4.320 0.000 0.000 0.220 301 A C 2.148 179.801 177.584 0.115 0.000 1.177 301 A CA 1.855 54.003 52.037 0.185 0.000 0.636 301 A CB -0.525 18.560 19.000 0.141 0.000 0.815 301 A HN 0.515 nan 8.150 nan 0.000 0.449 302 Q N -1.791 118.059 119.800 0.084 0.000 2.119 302 Q HA -0.190 4.150 4.340 0.000 0.000 0.201 302 Q C 2.177 178.137 176.000 -0.067 0.000 0.972 302 Q CA 1.374 57.219 55.803 0.071 0.000 0.847 302 Q CB -0.295 28.562 28.738 0.199 0.000 0.903 302 Q HN 0.917 nan 8.270 nan 0.000 0.433 303 H N -0.457 118.515 119.070 -0.164 0.000 2.326 303 H HA -0.153 4.403 4.556 0.000 0.000 0.301 303 H C 1.478 176.573 175.328 -0.389 0.000 1.081 303 H CA 1.555 57.397 56.048 -0.343 0.000 1.334 303 H CB 0.093 29.640 29.762 -0.357 0.000 1.385 303 H HN 0.280 nan 8.280 nan 0.000 0.504 304 Y N 0.827 121.005 120.300 -0.203 0.000 2.224 304 Y HA -0.140 4.410 4.550 0.000 0.000 0.289 304 Y C 2.988 178.580 175.900 -0.513 0.000 1.146 304 Y CA 0.731 58.592 58.100 -0.398 0.000 1.182 304 Y CB -0.614 37.720 38.460 -0.209 0.000 0.983 304 Y HN 0.126 nan 8.280 nan 0.000 0.524 305 L N -0.955 120.207 121.223 -0.102 0.000 2.083 305 L HA -0.244 4.096 4.340 0.000 0.000 0.209 305 L C 2.588 179.363 176.870 -0.158 0.000 1.083 305 L CA 1.126 55.940 54.840 -0.044 0.000 0.752 305 L CB -0.707 41.348 42.059 -0.006 0.000 0.899 305 L HN 0.237 nan 8.230 nan 0.000 0.433 306 A N -0.183 122.433 122.820 -0.339 0.000 1.930 306 A HA -0.187 4.133 4.320 0.000 0.000 0.217 306 A C 2.309 179.691 177.584 -0.335 0.000 1.175 306 A CA 1.378 53.179 52.037 -0.393 0.000 0.627 306 A CB -0.260 18.308 19.000 -0.720 0.000 0.815 306 A HN 0.277 nan 8.150 nan 0.000 0.443 307 K N -1.222 118.902 120.400 -0.460 0.000 2.097 307 K HA -0.121 4.199 4.320 0.000 0.000 0.206 307 K C 1.337 177.831 176.600 -0.177 0.000 1.049 307 K CA 1.614 57.679 56.287 -0.371 0.000 0.933 307 K CB -0.322 31.894 32.500 -0.474 0.000 0.717 307 K HN 0.732 nan 8.250 nan 0.000 0.442 308 Y N 0.037 120.293 120.300 -0.072 0.000 2.578 308 Y HA 0.007 4.557 4.550 0.000 0.000 0.297 308 Y C 1.346 177.216 175.900 -0.050 0.000 1.176 308 Y CA -0.122 57.951 58.100 -0.044 0.000 1.315 308 Y CB 0.343 38.786 38.460 -0.028 0.000 1.031 308 Y HN 0.262 nan 8.280 nan 0.000 0.524 309 G N 1.449 110.275 108.800 0.044 0.000 2.160 309 G HA2 -0.316 3.644 3.960 0.000 0.000 0.251 309 G HA3 -0.316 3.644 3.960 0.000 0.000 0.251 309 G C -0.054 174.853 174.900 0.011 0.000 1.008 309 G CA -0.008 45.098 45.100 0.010 0.000 0.724 309 G HN 0.374 nan 8.290 nan 0.000 0.514 310 I N 0.440 121.022 120.570 0.020 0.000 2.428 310 I HA 0.401 4.571 4.170 0.000 0.000 0.289 310 I C 0.844 176.936 176.117 -0.041 0.000 1.019 310 I CA -0.506 60.796 61.300 0.004 0.000 1.351 310 I CB 1.537 39.563 38.000 0.043 0.000 1.412 310 I HN 0.228 nan 8.210 nan 0.000 0.513 311 M N 6.559 126.120 119.600 -0.064 0.000 2.113 311 M HA 0.634 5.114 4.480 0.000 0.000 0.352 311 M C -0.866 175.339 176.300 -0.159 0.000 1.170 311 M CA -0.224 55.020 55.300 -0.094 0.000 1.053 311 M CB 0.914 33.458 32.600 -0.093 0.000 1.601 311 M HN 0.737 nan 8.290 nan 0.000 0.459 312 A N 4.728 127.466 122.820 -0.136 0.000 2.454 312 A HA 0.869 5.189 4.320 0.000 0.000 0.302 312 A C -1.512 175.987 177.584 -0.141 0.000 1.079 312 A CA -0.644 51.292 52.037 -0.168 0.000 0.731 312 A CB 1.874 20.827 19.000 -0.078 0.000 1.299 312 A HN 0.639 nan 8.150 nan 0.000 0.413 313 V N 1.450 121.267 119.914 -0.161 0.000 2.789 313 V HA 0.677 4.797 4.120 0.000 0.000 0.311 313 V C -0.067 176.043 176.094 0.027 0.000 1.073 313 V CA -0.778 61.496 62.300 -0.043 0.000 0.921 313 V CB 1.854 33.681 31.823 0.008 0.000 1.009 313 V HN 1.180 nan 8.190 nan 0.000 0.426 314 R N 1.950 122.478 120.500 0.046 0.000 2.943 314 R HA 0.861 5.201 4.340 0.000 0.000 0.246 314 R C -0.476 175.860 176.300 0.060 0.000 1.201 314 R CA -1.110 55.023 56.100 0.054 0.000 1.056 314 R CB 0.562 30.887 30.300 0.041 0.000 1.243 314 R HN 0.329 nan 8.270 nan 0.000 0.498 315 R N -0.630 119.900 120.500 0.051 0.000 3.188 315 R HA -0.112 4.228 4.340 0.000 0.000 0.247 315 R C -1.099 175.229 176.300 0.047 0.000 0.918 315 R CA 0.593 56.718 56.100 0.041 0.000 0.629 315 R CB -1.938 28.380 30.300 0.030 0.000 1.087 315 R HN 0.409 nan 8.270 nan 0.000 0.462 316 V N 1.528 121.479 119.914 0.062 0.000 2.432 316 V HA 0.136 4.256 4.120 0.000 0.000 0.275 316 V C 1.082 177.190 176.094 0.023 0.000 1.043 316 V CA -0.588 61.747 62.300 0.058 0.000 0.925 316 V CB 1.550 33.436 31.823 0.106 0.000 0.985 316 V HN 0.276 nan 8.190 nan 0.000 0.466 317 K N 3.532 123.934 120.400 0.004 0.000 2.524 317 K HA -0.047 4.273 4.320 0.000 0.000 0.279 317 K C 1.323 177.914 176.600 -0.014 0.000 0.993 317 K CA 0.142 56.425 56.287 -0.007 0.000 1.030 317 K CB 0.617 33.107 32.500 -0.017 0.000 0.891 317 K HN 0.623 nan 8.250 nan 0.000 0.488 318 K N 1.995 122.389 120.400 -0.009 0.000 2.044 318 K HA -0.234 4.086 4.320 0.000 0.000 0.210 318 K C 1.879 178.465 176.600 -0.024 0.000 1.049 318 K CA 2.271 58.551 56.287 -0.011 0.000 0.927 318 K CB -0.094 32.403 32.500 -0.006 0.000 0.713 318 K HN 0.680 nan 8.250 nan 0.000 0.443 319 S N 0.116 115.801 115.700 -0.026 0.000 2.419 319 S HA -0.147 4.323 4.470 0.000 0.000 0.233 319 S C 1.456 176.024 174.600 -0.054 0.000 1.016 319 S CA 1.470 59.650 58.200 -0.034 0.000 0.974 319 S CB -0.214 62.969 63.200 -0.027 0.000 0.786 319 S HN 0.322 nan 8.310 nan 0.000 0.492 320 D N 1.044 121.405 120.400 -0.064 0.000 2.162 320 D HA 0.103 4.743 4.640 0.000 0.000 0.203 320 D C 2.022 178.241 176.300 -0.134 0.000 0.967 320 D CA 0.817 54.755 54.000 -0.103 0.000 0.840 320 D CB -0.194 40.545 40.800 -0.102 0.000 0.972 320 D HN 0.287 nan 8.370 nan 0.000 0.482 321 M N 0.514 120.057 119.600 -0.095 0.000 2.067 321 M HA -0.114 4.367 4.480 0.000 0.000 0.260 321 M C 1.963 178.212 176.300 -0.087 0.000 1.069 321 M CA 1.361 56.606 55.300 -0.091 0.000 1.117 321 M CB -1.015 31.565 32.600 -0.033 0.000 1.334 321 M HN 0.095 nan 8.290 nan 0.000 0.407 322 E N 0.182 120.344 120.200 -0.063 0.000 2.118 322 E HA -0.190 4.160 4.350 0.000 0.000 0.195 322 E C 2.036 178.596 176.600 -0.068 0.000 0.992 322 E CA 1.125 57.493 56.400 -0.053 0.000 0.804 322 E CB -0.164 29.513 29.700 -0.038 0.000 0.741 322 E HN 0.513 nan 8.360 nan 0.000 0.458 323 K N 0.464 120.811 120.400 -0.087 0.000 2.148 323 K HA -0.085 4.235 4.320 0.000 0.000 0.204 323 K C 2.129 178.658 176.600 -0.118 0.000 1.050 323 K CA 0.749 56.977 56.287 -0.098 0.000 0.942 323 K CB -0.023 32.411 32.500 -0.111 0.000 0.724 323 K HN 0.134 nan 8.250 nan 0.000 0.446 324 L N 0.305 121.432 121.223 -0.159 0.000 2.109 324 L HA -0.113 4.227 4.340 0.000 0.000 0.207 324 L C 2.538 179.344 176.870 -0.107 0.000 1.086 324 L CA 0.697 55.420 54.840 -0.195 0.000 0.760 324 L CB -0.505 41.349 42.059 -0.342 0.000 0.910 324 L HN 0.172 nan 8.230 nan 0.000 0.437 325 A N 0.609 123.383 122.820 -0.077 0.000 1.851 325 A HA -0.249 4.071 4.320 0.000 0.000 0.216 325 A C 2.317 179.883 177.584 -0.030 0.000 1.195 325 A CA 1.888 53.903 52.037 -0.037 0.000 0.622 325 A CB -0.434 18.549 19.000 -0.028 0.000 0.831 325 A HN 0.289 nan 8.150 nan 0.000 0.444 326 K N -0.476 119.901 120.400 -0.037 0.000 2.097 326 K HA -0.068 4.253 4.320 0.000 0.000 0.206 326 K C 2.281 178.864 176.600 -0.028 0.000 1.049 326 K CA 1.137 57.407 56.287 -0.029 0.000 0.933 326 K CB -0.315 32.164 32.500 -0.034 0.000 0.717 326 K HN 0.464 nan 8.250 nan 0.000 0.442 327 A N 1.074 123.866 122.820 -0.045 0.000 1.897 327 A HA -0.128 4.192 4.320 0.000 0.000 0.215 327 A C 2.209 179.780 177.584 -0.022 0.000 1.181 327 A CA 2.060 54.072 52.037 -0.042 0.000 0.620 327 A CB -0.655 18.303 19.000 -0.069 0.000 0.821 327 A HN 0.460 nan 8.150 nan 0.000 0.443 328 T N -5.303 109.240 114.554 -0.020 0.000 3.037 328 T HA 0.418 4.768 4.350 0.000 0.000 0.252 328 T C 1.408 176.135 174.700 0.046 0.000 1.073 328 T CA 1.124 63.231 62.100 0.012 0.000 1.091 328 T CB 0.315 69.188 68.868 0.010 0.000 0.935 328 T HN 1.690 nan 8.240 nan 0.000 0.488 329 G N 1.400 110.217 108.800 0.027 0.000 2.141 329 G HA2 0.015 3.975 3.960 0.000 0.000 0.242 329 G HA3 0.015 3.975 3.960 0.000 0.000 0.242 329 G C 0.263 175.185 174.900 0.036 0.000 0.982 329 G CA -0.066 45.054 45.100 0.034 0.000 0.662 329 G HN 1.107 nan 8.290 nan 0.000 0.527 330 A N -0.354 122.488 122.820 0.036 0.000 2.287 330 A HA 0.759 5.079 4.320 0.000 0.000 0.273 330 A C 0.478 178.078 177.584 0.026 0.000 1.091 330 A CA 0.070 52.132 52.037 0.041 0.000 0.817 330 A CB 0.629 19.664 19.000 0.057 0.000 1.069 330 A HN 0.379 nan 8.150 nan 0.000 0.492 331 K N 0.505 120.922 120.400 0.028 0.000 2.207 331 K HA 0.519 4.839 4.320 0.000 0.000 0.255 331 K C -1.149 175.464 176.600 0.022 0.000 0.941 331 K CA -0.364 55.934 56.287 0.019 0.000 0.825 331 K CB 2.008 34.517 32.500 0.015 0.000 1.119 331 K HN 0.596 nan 8.250 nan 0.000 0.430 332 I N 2.941 123.520 120.570 0.015 0.000 2.416 332 I HA 0.070 4.241 4.170 0.000 0.000 0.288 332 I C -0.313 175.812 176.117 0.014 0.000 1.051 332 I CA -0.552 60.758 61.300 0.017 0.000 1.375 332 I CB 0.917 38.923 38.000 0.010 0.000 1.407 332 I HN 0.164 nan 8.210 nan 0.000 0.516 333 V N 5.440 125.365 119.914 0.018 0.000 2.581 333 V HA 0.262 4.382 4.120 0.000 0.000 0.303 333 V C 0.619 176.717 176.094 0.006 0.000 1.041 333 V CA -0.462 61.843 62.300 0.008 0.000 0.907 333 V CB 1.508 33.334 31.823 0.005 0.000 0.994 333 V HN 0.780 nan 8.190 nan 0.000 0.442 334 T N 1.706 116.259 114.554 -0.002 0.000 3.037 334 T HA 0.087 4.437 4.350 0.000 0.000 0.252 334 T C 0.671 175.365 174.700 -0.010 0.000 1.073 334 T CA 0.578 62.677 62.100 -0.002 0.000 1.091 334 T CB -0.125 68.742 68.868 -0.003 0.000 0.935 334 T HN 0.553 nan 8.240 nan 0.000 0.488 335 N N 1.468 120.153 118.700 -0.025 0.000 2.448 335 N HA 0.193 4.933 4.740 0.000 0.000 0.279 335 N C 1.015 176.478 175.510 -0.078 0.000 1.025 335 N CA -0.304 52.718 53.050 -0.048 0.000 0.898 335 N CB 2.033 40.486 38.487 -0.056 0.000 1.303 335 N HN -0.048 nan 8.380 nan 0.000 0.495 336 V N 2.445 122.308 119.914 -0.085 0.000 2.720 336 V HA -0.113 4.007 4.120 0.000 0.000 0.256 336 V C 1.882 177.786 176.094 -0.316 0.000 1.082 336 V CA 1.291 63.525 62.300 -0.109 0.000 1.101 336 V CB -0.584 31.218 31.823 -0.034 0.000 0.693 336 V HN 0.514 nan 8.190 nan 0.000 0.479 337 K N 0.633 120.762 120.400 -0.451 0.000 2.209 337 K HA -0.131 4.189 4.320 0.000 0.000 0.204 337 K C 1.061 177.426 176.600 -0.392 0.000 1.048 337 K CA 1.796 57.615 56.287 -0.781 0.000 0.940 337 K CB -0.191 32.071 32.500 -0.397 0.000 0.729 337 K HN 0.515 nan 8.250 nan 0.000 0.451 338 D N -0.124 120.158 120.400 -0.197 0.000 2.424 338 D HA 0.051 4.691 4.640 0.000 0.000 0.220 338 D C -0.886 175.384 176.300 -0.051 0.000 1.150 338 D CA -0.189 53.757 54.000 -0.090 0.000 0.831 338 D CB 0.286 41.050 40.800 -0.059 0.000 0.981 338 D HN -0.043 nan 8.370 nan 0.000 0.500 339 L N 1.776 122.966 121.223 -0.054 0.000 2.360 339 L HA 0.332 4.672 4.340 0.000 0.000 0.276 339 L C 0.322 177.199 176.870 0.012 0.000 1.121 339 L CA 0.281 55.115 54.840 -0.010 0.000 0.845 339 L CB 0.436 42.497 42.059 0.003 0.000 1.143 339 L HN 0.041 nan 8.230 nan 0.000 0.452 340 T N 1.841 116.402 114.554 0.012 0.000 2.930 340 T HA 0.583 4.933 4.350 0.000 0.000 0.290 340 T C -2.153 172.557 174.700 0.017 0.000 1.052 340 T CA -1.865 60.245 62.100 0.016 0.000 1.017 340 T CB 1.769 70.643 68.868 0.010 0.000 1.137 340 T HN 0.415 nan 8.240 nan 0.000 0.511 341 P HA 0.047 nan 4.420 nan 0.000 0.225 341 P C 0.821 178.132 177.300 0.019 0.000 1.148 341 P CA 0.667 63.776 63.100 0.016 0.000 0.779 341 P CB 0.061 31.767 31.700 0.009 0.000 0.780 342 E N -0.844 119.365 120.200 0.014 0.000 2.418 342 E HA -0.102 4.248 4.350 0.000 0.000 0.197 342 E C 1.026 177.637 176.600 0.019 0.000 1.026 342 E CA 0.788 57.196 56.400 0.014 0.000 0.862 342 E CB -0.594 29.111 29.700 0.009 0.000 0.799 342 E HN 0.270 nan 8.360 nan 0.000 0.518 343 D N -0.625 119.788 120.400 0.022 0.000 2.350 343 D HA 0.059 4.700 4.640 0.000 0.000 0.213 343 D C 0.299 176.622 176.300 0.038 0.000 1.031 343 D CA 0.107 54.122 54.000 0.026 0.000 0.861 343 D CB 0.322 41.134 40.800 0.021 0.000 0.926 343 D HN 0.166 nan 8.370 nan 0.000 0.520 344 L N 0.343 121.592 121.223 0.044 0.000 2.439 344 L HA 0.491 4.831 4.340 0.000 0.000 0.261 344 L C 1.128 178.043 176.870 0.074 0.000 1.153 344 L CA -0.480 54.397 54.840 0.061 0.000 0.808 344 L CB 0.961 43.056 42.059 0.061 0.000 1.126 344 L HN -0.092 nan 8.230 nan 0.000 0.460 345 G N -0.251 108.605 108.800 0.094 0.000 2.600 345 G HA2 0.469 4.429 3.960 0.000 0.000 0.303 345 G HA3 0.469 4.429 3.960 0.000 0.000 0.303 345 G C -2.119 172.880 174.900 0.165 0.000 1.253 345 G CA -0.293 44.873 45.100 0.110 0.000 0.974 345 G HN 0.399 nan 8.290 nan 0.000 0.483 346 Y N 0.100 120.420 120.300 0.034 0.000 2.487 346 Y HA 0.715 5.265 4.550 0.000 0.000 0.337 346 Y C -0.137 175.788 175.900 0.041 0.000 1.076 346 Y CA -0.928 57.193 58.100 0.035 0.000 1.115 346 Y CB 2.130 40.604 38.460 0.024 0.000 1.235 346 Y HN 0.851 nan 8.280 nan 0.000 0.468 347 A N 4.446 126.641 122.820 -1.042 0.000 2.513 347 A HA 0.310 4.630 4.320 0.000 0.000 0.296 347 A C 0.143 177.122 177.584 -1.008 0.000 1.052 347 A CA -0.443 51.126 52.037 -0.781 0.000 0.714 347 A CB 1.154 19.988 19.000 -0.277 0.000 1.279 347 A HN 0.928 nan 8.150 nan 0.000 0.397 348 E N 0.690 120.496 120.200 -0.658 0.000 2.153 348 E HA 0.060 4.410 4.350 0.000 0.000 0.194 348 E C -0.132 176.392 176.600 -0.127 0.000 0.988 348 E CA 1.499 57.740 56.400 -0.265 0.000 0.811 348 E CB 0.149 29.814 29.700 -0.058 0.000 0.746 348 E HN 0.520 nan 8.360 nan 0.000 0.466 349 V N 0.033 119.877 119.914 -0.117 0.000 2.924 349 V HA 0.213 4.333 4.120 0.000 0.000 0.300 349 V C -1.319 174.771 176.094 -0.007 0.000 1.227 349 V CA -0.854 61.421 62.300 -0.041 0.000 0.954 349 V CB 2.373 34.186 31.823 -0.016 0.000 1.055 349 V HN -0.191 nan 8.190 nan 0.000 0.429 350 V N 4.138 124.067 119.914 0.025 0.000 2.419 350 V HA 0.613 4.734 4.120 0.000 0.000 0.287 350 V C -0.417 175.728 176.094 0.085 0.000 1.017 350 V CA -0.324 62.024 62.300 0.081 0.000 0.844 350 V CB 1.562 33.436 31.823 0.085 0.000 1.011 350 V HN 0.951 nan 8.190 nan 0.000 0.429 351 E N 3.230 123.508 120.200 0.131 0.000 2.393 351 E HA 0.522 4.872 4.350 0.000 0.000 0.273 351 E C -1.174 175.535 176.600 0.180 0.000 0.918 351 E CA -0.761 55.709 56.400 0.116 0.000 0.773 351 E CB 2.570 32.312 29.700 0.069 0.000 1.275 351 E HN 0.697 nan 8.360 nan 0.000 0.451 352 E N 3.208 123.487 120.200 0.130 0.000 2.115 352 E HA 0.305 4.655 4.350 0.000 0.000 0.282 352 E C -1.004 175.683 176.600 0.144 0.000 0.987 352 E CA -0.454 56.031 56.400 0.143 0.000 0.797 352 E CB 0.840 30.591 29.700 0.085 0.000 1.086 352 E HN 0.335 nan 8.360 nan 0.000 0.397 353 R N 3.419 124.055 120.500 0.226 0.000 2.711 353 R HA 0.297 4.637 4.340 0.000 0.000 0.284 353 R C -0.498 175.902 176.300 0.166 0.000 0.968 353 R CA -0.862 55.343 56.100 0.175 0.000 0.924 353 R CB 1.647 32.042 30.300 0.158 0.000 1.162 353 R HN 0.297 nan 8.270 nan 0.000 0.465 354 K N 3.205 123.664 120.400 0.099 0.000 2.184 354 K HA 0.144 4.464 4.320 0.000 0.000 0.259 354 K C -0.919 175.731 176.600 0.083 0.000 1.119 354 K CA -0.433 55.903 56.287 0.080 0.000 0.991 354 K CB 0.310 32.840 32.500 0.049 0.000 1.522 354 K HN 0.233 nan 8.250 nan 0.000 0.405 355 L N 3.858 125.151 121.223 0.117 0.000 2.268 355 L HA 0.283 4.623 4.340 0.000 0.000 0.289 355 L C -0.068 176.846 176.870 0.072 0.000 1.064 355 L CA 0.664 55.572 54.840 0.113 0.000 0.824 355 L CB 0.382 42.555 42.059 0.190 0.000 1.202 355 L HN 0.751 nan 8.230 nan 0.000 0.433 356 A N 3.945 126.797 122.820 0.052 0.000 2.578 356 A HA 0.100 4.420 4.320 0.000 0.000 0.298 356 A C 1.576 179.180 177.584 0.032 0.000 1.472 356 A CA 1.203 53.263 52.037 0.038 0.000 0.734 356 A CB -2.100 16.922 19.000 0.037 0.000 1.091 356 A HN 2.351 nan 8.150 nan 0.000 0.426 357 G N -1.789 107.030 108.800 0.031 0.000 2.353 357 G HA2 -0.285 3.675 3.960 0.000 0.000 0.258 357 G HA3 -0.285 3.675 3.960 0.000 0.000 0.258 357 G C 0.195 175.112 174.900 0.028 0.000 1.013 357 G CA 1.501 46.617 45.100 0.026 0.000 0.622 357 G HN 1.309 nan 8.290 nan 0.000 0.535 358 E N 0.703 120.923 120.200 0.033 0.000 2.280 358 E HA 0.616 4.966 4.350 0.000 0.000 0.264 358 E C 0.081 176.707 176.600 0.043 0.000 1.064 358 E CA -0.647 55.771 56.400 0.031 0.000 0.900 358 E CB 0.459 30.173 29.700 0.024 0.000 1.123 358 E HN 0.249 nan 8.360 nan 0.000 0.418 359 N N 1.391 120.112 118.700 0.035 0.000 2.372 359 N HA 0.439 5.179 4.740 0.000 0.000 0.291 359 N C -0.933 174.596 175.510 0.031 0.000 1.024 359 N CA -0.260 52.818 53.050 0.047 0.000 0.873 359 N CB 1.064 39.574 38.487 0.038 0.000 1.206 359 N HN 0.349 nan 8.380 nan 0.000 0.486 360 M N 1.584 121.213 119.600 0.047 0.000 2.593 360 M HA 0.554 5.034 4.480 0.000 0.000 0.290 360 M C -0.675 175.620 176.300 -0.008 0.000 1.244 360 M CA -0.668 54.604 55.300 -0.046 0.000 0.857 360 M CB 2.601 35.092 32.600 -0.183 0.000 1.738 360 M HN 0.156 nan 8.290 nan 0.000 0.461 361 I N 1.620 122.139 120.570 -0.085 0.000 2.362 361 I HA 0.413 4.583 4.170 0.000 0.000 0.289 361 I C -1.411 174.655 176.117 -0.085 0.000 0.994 361 I CA -0.405 60.918 61.300 0.039 0.000 1.158 361 I CB 1.116 39.197 38.000 0.136 0.000 1.315 361 I HN 0.472 nan 8.210 nan 0.000 0.451 362 F N 5.677 125.656 119.950 0.049 0.000 2.415 362 F HA 0.375 4.902 4.527 0.000 0.000 0.348 362 F C 0.211 176.027 175.800 0.026 0.000 1.119 362 F CA -0.682 57.331 58.000 0.023 0.000 1.069 362 F CB 1.593 40.599 39.000 0.008 0.000 1.124 362 F HN 0.028 nan 8.300 nan 0.000 0.472 363 V N 4.484 124.477 119.914 0.131 0.000 2.257 363 V HA 0.267 4.387 4.120 0.000 0.000 0.269 363 V C -0.272 175.850 176.094 0.048 0.000 1.040 363 V CA -0.554 61.790 62.300 0.073 0.000 0.813 363 V CB 0.296 32.118 31.823 -0.002 0.000 1.065 363 V HN 0.784 nan 8.190 nan 0.000 0.457 364 E N 2.571 122.802 120.200 0.051 0.000 2.320 364 E HA 0.745 5.095 4.350 0.000 0.000 0.264 364 E C 0.683 177.264 176.600 -0.033 0.000 0.923 364 E CA -0.539 55.876 56.400 0.025 0.000 0.796 364 E CB 2.099 31.832 29.700 0.055 0.000 1.262 364 E HN 0.590 nan 8.360 nan 0.000 0.428 365 G N 0.223 109.010 108.800 -0.021 0.000 2.143 365 G HA2 -0.299 3.661 3.960 0.000 0.000 0.249 365 G HA3 -0.299 3.661 3.960 0.000 0.000 0.249 365 G C 0.319 175.198 174.900 -0.035 0.000 0.981 365 G CA -0.036 45.049 45.100 -0.024 0.000 0.665 365 G HN 0.651 nan 8.290 nan 0.000 0.528 366 C N 0.283 119.557 119.300 -0.042 0.000 2.746 366 C HA 0.303 4.763 4.460 0.000 0.000 0.403 366 C C 2.311 177.348 174.990 0.078 0.000 1.270 366 C CA 0.794 59.802 59.018 -0.016 0.000 1.978 366 C CB 0.884 28.616 27.740 -0.013 0.000 2.724 366 C HN 0.749 nan 8.230 nan 0.000 0.678 367 K N 1.428 121.921 120.400 0.156 0.000 1.975 367 K HA -0.174 4.146 4.320 0.000 0.000 0.224 367 K C 0.606 177.254 176.600 0.080 0.000 1.038 367 K CA 1.901 58.281 56.287 0.156 0.000 1.009 367 K CB -0.170 32.426 32.500 0.160 0.000 0.750 367 K HN 0.746 nan 8.250 nan 0.000 0.445 368 N N 1.071 119.806 118.700 0.059 0.000 2.682 368 N HA 0.279 5.019 4.740 0.000 0.000 0.252 368 N C -2.834 172.692 175.510 0.026 0.000 1.081 368 N CA -2.099 50.972 53.050 0.035 0.000 0.844 368 N CB 1.595 40.098 38.487 0.026 0.000 1.167 368 N HN 0.061 nan 8.380 nan 0.000 0.523 369 P HA 0.150 nan 4.420 nan 0.000 0.271 369 P C -0.255 177.043 177.300 -0.004 0.000 1.220 369 P CA -0.186 62.915 63.100 0.002 0.000 0.768 369 P CB 1.422 33.118 31.700 -0.007 0.000 0.848 370 K N 1.517 121.911 120.400 -0.010 0.000 2.374 370 K HA 0.415 4.735 4.320 0.000 0.000 0.196 370 K C 0.257 176.843 176.600 -0.025 0.000 1.023 370 K CA -0.036 56.244 56.287 -0.012 0.000 1.103 370 K CB 0.259 32.753 32.500 -0.010 0.000 0.848 370 K HN 0.587 nan 8.250 nan 0.000 0.528 371 A N -0.297 122.501 122.820 -0.036 0.000 2.465 371 A HA 0.632 4.952 4.320 0.000 0.000 0.292 371 A C -1.473 176.072 177.584 -0.065 0.000 1.041 371 A CA -0.650 51.353 52.037 -0.056 0.000 0.718 371 A CB 1.408 20.370 19.000 -0.063 0.000 1.266 371 A HN -0.055 nan 8.150 nan 0.000 0.403 372 V N 1.319 121.183 119.914 -0.083 0.000 3.158 372 V HA 0.924 5.044 4.120 0.000 0.000 0.311 372 V C -0.504 175.514 176.094 -0.128 0.000 1.181 372 V CA -0.230 62.019 62.300 -0.085 0.000 1.054 372 V CB 2.624 34.409 31.823 -0.064 0.000 1.085 372 V HN 1.049 nan 8.190 nan 0.000 0.446 373 T N 3.682 118.170 114.554 -0.110 0.000 2.876 373 T HA 0.625 4.975 4.350 0.000 0.000 0.289 373 T C -0.845 173.793 174.700 -0.104 0.000 1.014 373 T CA -0.157 61.860 62.100 -0.137 0.000 0.986 373 T CB 1.368 70.177 68.868 -0.098 0.000 1.021 373 T HN 0.512 nan 8.240 nan 0.000 0.458 374 I N 3.069 123.557 120.570 -0.136 0.000 2.355 374 I HA 0.351 4.521 4.170 0.000 0.000 0.288 374 I C -0.861 175.297 176.117 0.067 0.000 0.999 374 I CA -0.894 60.394 61.300 -0.020 0.000 1.163 374 I CB 1.544 39.554 38.000 0.016 0.000 1.316 374 I HN 0.313 nan 8.210 nan 0.000 0.454 375 L N 8.841 130.113 121.223 0.081 0.000 2.260 375 L HA 0.498 4.838 4.340 0.000 0.000 0.289 375 L C -0.469 176.457 176.870 0.093 0.000 1.057 375 L CA 0.175 55.075 54.840 0.100 0.000 0.811 375 L CB 0.461 42.605 42.059 0.141 0.000 1.184 375 L HN 0.373 nan 8.230 nan 0.000 0.429 376 I N 5.837 126.462 120.570 0.092 0.000 2.353 376 I HA 0.480 4.650 4.170 0.000 0.000 0.293 376 I C 0.027 176.166 176.117 0.037 0.000 0.992 376 I CA -0.652 60.684 61.300 0.060 0.000 1.268 376 I CB 0.751 38.786 38.000 0.059 0.000 1.387 376 I HN 0.513 nan 8.210 nan 0.000 0.478 377 R N 4.062 124.570 120.500 0.013 0.000 2.854 377 R HA 0.890 5.230 4.340 0.000 0.000 0.271 377 R C -0.425 175.869 176.300 -0.010 0.000 0.996 377 R CA -1.119 54.986 56.100 0.007 0.000 0.961 377 R CB 2.008 32.311 30.300 0.004 0.000 1.182 377 R HN 0.871 nan 8.270 nan 0.000 0.479 378 G N -1.228 107.573 108.800 0.001 0.000 2.429 378 G HA2 0.316 4.276 3.960 0.000 0.000 0.300 378 G HA3 0.316 4.276 3.960 0.000 0.000 0.300 378 G C 0.369 175.282 174.900 0.021 0.000 1.598 378 G CA -0.265 44.838 45.100 0.006 0.000 0.863 378 G HN 0.502 nan 8.290 nan 0.000 0.614 379 G N -0.582 108.236 108.800 0.029 0.000 2.440 379 G HA2 0.221 4.181 3.960 0.000 0.000 0.218 379 G HA3 0.221 4.181 3.960 0.000 0.000 0.218 379 G C 0.930 175.855 174.900 0.041 0.000 1.154 379 G CA 2.091 47.211 45.100 0.034 0.000 0.767 379 G HN 1.055 nan 8.290 nan 0.000 0.552 380 T N -1.854 112.733 114.554 0.054 0.000 2.927 380 T HA 0.428 4.778 4.350 0.000 0.000 0.286 380 T C 0.970 175.709 174.700 0.064 0.000 1.040 380 T CA -0.331 61.814 62.100 0.076 0.000 1.010 380 T CB 2.069 71.007 68.868 0.118 0.000 1.177 380 T HN 0.061 nan 8.240 nan 0.000 0.546 381 E N -0.201 120.036 120.200 0.062 0.000 2.150 381 E HA -0.068 4.282 4.350 0.000 0.000 0.193 381 E C 1.453 177.986 176.600 -0.111 0.000 0.985 381 E CA 1.640 58.017 56.400 -0.039 0.000 0.814 381 E CB -0.077 29.566 29.700 -0.095 0.000 0.752 381 E HN 0.698 nan 8.360 nan 0.000 0.466 382 H N -1.353 117.717 119.070 0.001 0.000 2.363 382 H HA -0.002 4.554 4.556 0.000 0.000 0.301 382 H C 2.018 177.347 175.328 0.000 0.000 1.074 382 H CA 1.274 57.321 56.048 -0.001 0.000 1.354 382 H CB -0.210 29.553 29.762 0.001 0.000 1.397 382 H HN -0.009 nan 8.280 nan 0.000 0.516 383 V N 0.926 120.913 119.914 0.121 0.000 2.252 383 V HA -0.296 3.824 4.120 0.000 0.000 0.249 383 V C 2.344 178.458 176.094 0.033 0.000 1.056 383 V CA 2.091 64.434 62.300 0.073 0.000 1.022 383 V CB -0.607 31.255 31.823 0.065 0.000 0.641 383 V HN 0.374 nan 8.190 nan 0.000 0.445 384 I N 0.066 120.644 120.570 0.013 0.000 2.091 384 I HA -0.302 3.869 4.170 0.000 0.000 0.239 384 I C 2.377 178.473 176.117 -0.036 0.000 1.061 384 I CA 2.034 63.327 61.300 -0.011 0.000 1.317 384 I CB -0.673 37.318 38.000 -0.015 0.000 1.031 384 I HN 0.353 nan 8.210 nan 0.000 0.401 385 D N 0.251 120.619 120.400 -0.054 0.000 2.158 385 D HA -0.237 4.403 4.640 0.000 0.000 0.197 385 D C 2.045 178.305 176.300 -0.066 0.000 0.995 385 D CA 1.376 55.331 54.000 -0.075 0.000 0.846 385 D CB -0.210 40.530 40.800 -0.100 0.000 0.941 385 D HN 0.344 nan 8.370 nan 0.000 0.456 386 E N 0.228 120.409 120.200 -0.031 0.000 2.076 386 E HA -0.059 4.291 4.350 0.000 0.000 0.190 386 E C 2.107 178.685 176.600 -0.036 0.000 0.979 386 E CA 0.270 56.657 56.400 -0.021 0.000 0.807 386 E CB -0.039 29.670 29.700 0.016 0.000 0.761 386 E HN -0.010 nan 8.360 nan 0.000 0.454 387 V N 1.223 121.122 119.914 -0.026 0.000 2.332 387 V HA -0.246 3.874 4.120 0.000 0.000 0.248 387 V C 2.410 178.449 176.094 -0.092 0.000 1.055 387 V CA 2.220 64.503 62.300 -0.028 0.000 1.038 387 V CB -0.544 31.272 31.823 -0.012 0.000 0.651 387 V HN 0.392 nan 8.190 nan 0.000 0.450 388 E N 0.101 120.216 120.200 -0.141 0.000 2.110 388 E HA -0.246 4.104 4.350 0.000 0.000 0.193 388 E C 2.477 178.860 176.600 -0.361 0.000 0.988 388 E CA 1.251 57.466 56.400 -0.308 0.000 0.804 388 E CB -0.033 29.501 29.700 -0.277 0.000 0.745 388 E HN 0.506 nan 8.360 nan 0.000 0.458 389 R N -0.165 120.212 120.500 -0.205 0.000 2.092 389 R HA -0.098 4.242 4.340 0.000 0.000 0.231 389 R C 2.388 178.613 176.300 -0.125 0.000 1.119 389 R CA 1.061 57.066 56.100 -0.158 0.000 0.970 389 R CB -0.221 30.025 30.300 -0.090 0.000 0.864 389 R HN 0.160 nan 8.270 nan 0.000 0.440 390 A N 1.132 123.897 122.820 -0.091 0.000 1.858 390 A HA -0.157 4.163 4.320 0.000 0.000 0.216 390 A C 2.141 179.694 177.584 -0.053 0.000 1.190 390 A CA 1.179 53.188 52.037 -0.046 0.000 0.617 390 A CB -0.649 18.343 19.000 -0.013 0.000 0.827 390 A HN 0.207 nan 8.150 nan 0.000 0.443 391 L N -0.488 120.681 121.223 -0.090 0.000 2.079 391 L HA -0.244 4.096 4.340 0.000 0.000 0.210 391 L C 2.560 179.413 176.870 -0.028 0.000 1.081 391 L CA 1.727 56.543 54.840 -0.040 0.000 0.752 391 L CB -0.561 41.472 42.059 -0.042 0.000 0.896 391 L HN 0.504 nan 8.230 nan 0.000 0.433 392 E N -0.347 119.738 120.200 -0.192 0.000 2.204 392 E HA -0.195 4.155 4.350 0.000 0.000 0.194 392 E C 1.467 178.073 176.600 0.010 0.000 0.989 392 E CA 1.034 57.387 56.400 -0.078 0.000 0.824 392 E CB 0.002 29.599 29.700 -0.170 0.000 0.756 392 E HN 0.543 nan 8.360 nan 0.000 0.477 393 D N 0.381 120.774 120.400 -0.012 0.000 2.216 393 D HA -0.006 4.634 4.640 0.000 0.000 0.208 393 D C 1.933 178.248 176.300 0.025 0.000 0.960 393 D CA 0.858 54.862 54.000 0.007 0.000 0.861 393 D CB -0.112 40.686 40.800 -0.004 0.000 0.985 393 D HN 0.100 nan 8.370 nan 0.000 0.493 394 A N 0.919 123.758 122.820 0.031 0.000 1.940 394 A HA -0.131 4.189 4.320 0.000 0.000 0.219 394 A C 2.460 180.078 177.584 0.057 0.000 1.176 394 A CA 1.148 53.211 52.037 0.043 0.000 0.631 394 A CB -0.660 18.371 19.000 0.050 0.000 0.814 394 A HN 0.137 nan 8.150 nan 0.000 0.446 395 V N -0.499 119.469 119.914 0.090 0.000 2.488 395 V HA -0.159 3.961 4.120 0.000 0.000 0.246 395 V C 2.411 178.544 176.094 0.066 0.000 1.046 395 V CA 2.135 64.495 62.300 0.099 0.000 1.053 395 V CB -0.456 31.478 31.823 0.186 0.000 0.679 395 V HN 0.538 nan 8.190 nan 0.000 0.458 396 K N -0.016 120.421 120.400 0.061 0.000 2.155 396 K HA -0.110 4.210 4.320 0.000 0.000 0.203 396 K C 1.982 178.597 176.600 0.024 0.000 1.052 396 K CA 1.488 57.800 56.287 0.042 0.000 0.948 396 K CB -0.004 32.518 32.500 0.037 0.000 0.728 396 K HN 0.550 nan 8.250 nan 0.000 0.448 397 V N -2.535 117.392 119.914 0.021 0.000 2.346 397 V HA -0.113 4.007 4.120 0.000 0.000 0.244 397 V C 1.985 178.079 176.094 0.001 0.000 1.037 397 V CA 1.059 63.365 62.300 0.011 0.000 1.029 397 V CB -0.659 31.171 31.823 0.012 0.000 0.663 397 V HN -0.066 nan 8.190 nan 0.000 0.454 398 V N 1.133 121.048 119.914 0.003 0.000 2.469 398 V HA -0.287 3.833 4.120 0.000 0.000 0.251 398 V C 2.730 178.806 176.094 -0.030 0.000 1.064 398 V CA 2.684 64.975 62.300 -0.015 0.000 1.066 398 V CB -1.014 30.806 31.823 -0.005 0.000 0.667 398 V HN 0.737 nan 8.190 nan 0.000 0.461 399 K N -0.050 120.344 120.400 -0.010 0.000 2.097 399 K HA -0.195 4.125 4.320 0.000 0.000 0.205 399 K C 1.776 178.367 176.600 -0.015 0.000 1.050 399 K CA 1.695 57.977 56.287 -0.009 0.000 0.938 399 K CB -0.217 32.291 32.500 0.014 0.000 0.718 399 K HN 0.476 nan 8.250 nan 0.000 0.442 400 D N 0.556 120.951 120.400 -0.009 0.000 2.117 400 D HA -0.133 4.507 4.640 0.000 0.000 0.197 400 D C 2.015 178.302 176.300 -0.022 0.000 0.987 400 D CA 1.276 55.271 54.000 -0.008 0.000 0.829 400 D CB 0.049 40.848 40.800 -0.002 0.000 0.961 400 D HN 0.097 nan 8.370 nan 0.000 0.460 401 V N 1.326 121.218 119.914 -0.037 0.000 2.358 401 V HA -0.205 3.915 4.120 0.000 0.000 0.246 401 V C 2.578 178.615 176.094 -0.095 0.000 1.047 401 V CA 1.174 63.442 62.300 -0.053 0.000 1.035 401 V CB -0.410 31.381 31.823 -0.053 0.000 0.658 401 V HN 0.166 nan 8.190 nan 0.000 0.452 402 M N -0.497 119.016 119.600 -0.145 0.000 2.213 402 M HA -0.184 4.296 4.480 0.000 0.000 0.263 402 M C 2.109 178.311 176.300 -0.164 0.000 1.062 402 M CA 1.762 56.888 55.300 -0.290 0.000 1.105 402 M CB -0.371 31.995 32.600 -0.390 0.000 1.385 402 M HN 0.441 nan 8.290 nan 0.000 0.417 403 E N -0.169 120.001 120.200 -0.049 0.000 2.140 403 E HA -0.103 4.247 4.350 0.000 0.000 0.191 403 E C 1.251 177.862 176.600 0.019 0.000 0.973 403 E CA 0.717 57.130 56.400 0.023 0.000 0.829 403 E CB 0.184 29.903 29.700 0.032 0.000 0.781 403 E HN 0.455 nan 8.360 nan 0.000 0.466 404 D N -0.329 120.069 120.400 -0.003 0.000 2.262 404 D HA 0.030 4.670 4.640 0.000 0.000 0.212 404 D C 1.096 177.395 176.300 -0.003 0.000 0.964 404 D CA 1.016 55.017 54.000 0.002 0.000 0.875 404 D CB 0.124 40.923 40.800 -0.002 0.000 0.996 404 D HN 0.231 nan 8.370 nan 0.000 0.497 405 G N 0.693 109.481 108.800 -0.020 0.000 2.295 405 G HA2 0.003 3.963 3.960 0.000 0.000 0.287 405 G HA3 0.003 3.963 3.960 0.000 0.000 0.287 405 G C 0.075 174.968 174.900 -0.011 0.000 1.055 405 G CA 0.451 45.538 45.100 -0.020 0.000 0.922 405 G HN 0.677 nan 8.290 nan 0.000 0.503 406 A N -1.323 121.490 122.820 -0.011 0.000 2.456 406 A HA 0.910 5.230 4.320 0.000 0.000 0.288 406 A C 0.062 177.643 177.584 -0.005 0.000 1.042 406 A CA 0.118 52.152 52.037 -0.006 0.000 0.738 406 A CB 1.565 20.564 19.000 -0.002 0.000 1.266 406 A HN 1.897 nan 8.150 nan 0.000 0.407 407 V N 0.377 120.290 119.914 -0.003 0.000 3.284 407 V HA 0.955 5.075 4.120 0.000 0.000 0.309 407 V C -0.266 175.831 176.094 0.006 0.000 1.190 407 V CA -0.985 61.316 62.300 0.000 0.000 1.038 407 V CB 1.533 33.355 31.823 -0.001 0.000 1.198 407 V HN 0.890 nan 8.190 nan 0.000 0.465 408 L N 0.154 121.383 121.223 0.010 0.000 2.568 408 L HA 0.610 4.950 4.340 0.000 0.000 0.257 408 L C -2.785 174.097 176.870 0.021 0.000 1.024 408 L CA -1.721 53.129 54.840 0.016 0.000 0.854 408 L CB 3.361 45.430 42.059 0.017 0.000 1.460 408 L HN 0.547 nan 8.230 nan 0.000 0.409 409 P HA 0.318 nan 4.420 nan 0.000 0.279 409 P C -1.110 176.211 177.300 0.034 0.000 1.252 409 P CA -0.239 62.882 63.100 0.035 0.000 0.811 409 P CB 1.885 33.613 31.700 0.048 0.000 1.035 410 A N 1.012 123.852 122.820 0.034 0.000 3.322 410 A HA 0.670 4.990 4.320 0.000 0.000 0.201 410 A C 1.064 178.663 177.584 0.026 0.000 1.668 410 A CA -0.175 51.879 52.037 0.028 0.000 0.861 410 A CB -0.961 18.057 19.000 0.030 0.000 1.769 410 A HN 0.705 nan 8.150 nan 0.000 0.578 411 G N -2.089 106.721 108.800 0.017 0.000 2.305 411 G HA2 0.199 4.159 3.960 0.000 0.000 0.287 411 G HA3 0.199 4.159 3.960 0.000 0.000 0.287 411 G C 1.616 176.513 174.900 -0.005 0.000 1.036 411 G CA 1.326 46.430 45.100 0.007 0.000 0.887 411 G HN 2.629 nan 8.290 nan 0.000 0.505 412 G N -1.662 107.130 108.800 -0.012 0.000 2.184 412 G HA2 0.029 3.989 3.960 0.000 0.000 0.264 412 G HA3 0.029 3.989 3.960 0.000 0.000 0.264 412 G C 1.772 176.644 174.900 -0.046 0.000 0.975 412 G CA 1.374 46.456 45.100 -0.031 0.000 0.642 412 G HN 2.095 nan 8.290 nan 0.000 0.536 413 A N 1.159 123.972 122.820 -0.011 0.000 1.892 413 A HA 0.078 4.398 4.320 0.000 0.000 0.218 413 A C 0.646 178.222 177.584 -0.013 0.000 1.188 413 A CA 2.647 54.694 52.037 0.015 0.000 0.631 413 A CB -1.183 17.875 19.000 0.096 0.000 0.822 413 A HN 0.482 nan 8.150 nan 0.000 0.447 414 P HA -0.153 nan 4.420 nan 0.000 0.217 414 P C 1.194 178.480 177.300 -0.023 0.000 1.150 414 P CA 1.411 64.516 63.100 0.009 0.000 0.832 414 P CB -0.100 31.608 31.700 0.014 0.000 0.787 415 E N -0.261 119.914 120.200 -0.043 0.000 2.152 415 E HA -0.092 4.258 4.350 0.000 0.000 0.192 415 E C 2.103 178.653 176.600 -0.084 0.000 0.983 415 E CA 1.004 57.377 56.400 -0.044 0.000 0.818 415 E CB -1.011 28.664 29.700 -0.041 0.000 0.758 415 E HN 0.314 nan 8.360 nan 0.000 0.467 416 I N 1.374 121.840 120.570 -0.174 0.000 2.202 416 I HA -0.231 3.939 4.170 0.000 0.000 0.242 416 I C 2.725 178.665 176.117 -0.294 0.000 1.091 416 I CA 1.412 62.544 61.300 -0.280 0.000 1.368 416 I CB -0.235 37.469 38.000 -0.493 0.000 1.058 416 I HN 0.084 nan 8.210 nan 0.000 0.410 417 E N 1.734 121.750 120.200 -0.306 0.000 2.058 417 E HA -0.218 4.132 4.350 0.000 0.000 0.194 417 E C 2.199 178.806 176.600 0.012 0.000 0.997 417 E CA 1.562 57.955 56.400 -0.011 0.000 0.801 417 E CB -0.304 29.486 29.700 0.149 0.000 0.746 417 E HN 0.386 nan 8.360 nan 0.000 0.450 418 L N -0.110 121.110 121.223 -0.005 0.000 2.046 418 L HA -0.155 4.185 4.340 0.000 0.000 0.208 418 L C 2.526 179.412 176.870 0.026 0.000 1.077 418 L CA 1.014 55.863 54.840 0.015 0.000 0.747 418 L CB -0.607 41.468 42.059 0.027 0.000 0.896 418 L HN 0.282 nan 8.230 nan 0.000 0.432 419 A N 0.653 123.478 122.820 0.008 0.000 1.851 419 A HA -0.227 4.093 4.320 0.000 0.000 0.216 419 A C 2.174 179.775 177.584 0.028 0.000 1.195 419 A CA 1.794 53.844 52.037 0.021 0.000 0.622 419 A CB -0.777 18.216 19.000 -0.012 0.000 0.831 419 A HN 0.319 nan 8.150 nan 0.000 0.444 420 I N -1.160 119.418 120.570 0.015 0.000 2.118 420 I HA -0.299 3.871 4.170 0.000 0.000 0.241 420 I C 2.773 178.921 176.117 0.051 0.000 1.070 420 I CA 2.124 63.447 61.300 0.038 0.000 1.327 420 I CB -0.357 37.679 38.000 0.060 0.000 1.034 420 I HN 0.352 nan 8.210 nan 0.000 0.405 421 R N 1.219 121.750 120.500 0.051 0.000 2.092 421 R HA -0.095 4.245 4.340 0.000 0.000 0.231 421 R C 2.187 178.528 176.300 0.069 0.000 1.119 421 R CA 1.297 57.428 56.100 0.052 0.000 0.970 421 R CB -0.324 29.996 30.300 0.034 0.000 0.864 421 R HN 0.305 nan 8.270 nan 0.000 0.440 422 L N 0.363 121.625 121.223 0.064 0.000 2.201 422 L HA -0.141 4.199 4.340 0.000 0.000 0.212 422 L C 2.074 179.013 176.870 0.114 0.000 1.105 422 L CA 1.224 56.124 54.840 0.099 0.000 0.775 422 L CB -0.463 41.631 42.059 0.058 0.000 0.913 422 L HN 0.380 nan 8.230 nan 0.000 0.440 423 D N -0.037 120.410 120.400 0.079 0.000 2.144 423 D HA -0.180 4.460 4.640 0.000 0.000 0.200 423 D C 1.877 178.208 176.300 0.052 0.000 0.978 423 D CA 0.956 54.992 54.000 0.059 0.000 0.833 423 D CB 0.322 41.151 40.800 0.047 0.000 0.961 423 D HN 0.273 nan 8.370 nan 0.000 0.470 424 E N 0.133 120.375 120.200 0.070 0.000 2.031 424 E HA -0.205 4.145 4.350 0.000 0.000 0.193 424 E C 2.085 178.737 176.600 0.086 0.000 0.994 424 E CA 0.640 57.081 56.400 0.067 0.000 0.800 424 E CB -0.957 28.788 29.700 0.075 0.000 0.752 424 E HN 0.435 nan 8.360 nan 0.000 0.447 425 Y N 1.722 122.015 120.300 -0.012 0.000 2.283 425 Y HA -0.263 4.287 4.550 0.000 0.000 0.285 425 Y C 2.149 178.038 175.900 -0.018 0.000 1.176 425 Y CA 1.125 59.213 58.100 -0.021 0.000 1.229 425 Y CB -0.548 37.888 38.460 -0.040 0.000 0.975 425 Y HN 0.024 nan 8.280 nan 0.000 0.537 426 A N 0.670 123.405 122.820 -0.142 0.000 1.858 426 A HA -0.170 4.150 4.320 0.000 0.000 0.216 426 A C 2.267 179.756 177.584 -0.158 0.000 1.190 426 A CA 1.880 53.802 52.037 -0.192 0.000 0.617 426 A CB -0.475 18.488 19.000 -0.061 0.000 0.827 426 A HN 0.343 nan 8.150 nan 0.000 0.443 427 K N 0.287 120.640 120.400 -0.079 0.000 2.103 427 K HA -0.209 4.111 4.320 0.000 0.000 0.207 427 K C 2.022 178.579 176.600 -0.073 0.000 1.048 427 K CA 1.775 58.029 56.287 -0.055 0.000 0.930 427 K CB -0.681 31.807 32.500 -0.021 0.000 0.716 427 K HN 0.734 nan 8.250 nan 0.000 0.444 428 Q N 0.505 120.252 119.800 -0.088 0.000 2.084 428 Q HA -0.100 4.240 4.340 0.000 0.000 0.202 428 Q C 2.280 178.204 176.000 -0.128 0.000 0.978 428 Q CA 1.439 57.196 55.803 -0.076 0.000 0.844 428 Q CB -0.207 28.519 28.738 -0.021 0.000 0.898 428 Q HN 0.074 nan 8.270 nan 0.000 0.426 429 V N 0.062 119.821 119.914 -0.257 0.000 2.323 429 V HA -0.070 4.050 4.120 0.000 0.000 0.244 429 V C 1.272 177.285 176.094 -0.135 0.000 1.041 429 V CA 1.185 63.342 62.300 -0.238 0.000 1.025 429 V CB -1.420 30.178 31.823 -0.374 0.000 0.656 429 V HN 0.646 nan 8.190 nan 0.000 0.451 430 G N -0.721 108.004 108.800 -0.125 0.000 2.915 430 G HA2 0.301 4.261 3.960 0.000 0.000 0.337 430 G HA3 0.301 4.261 3.960 0.000 0.000 0.337 430 G C 0.479 175.345 174.900 -0.057 0.000 1.477 430 G CA -0.272 44.784 45.100 -0.074 0.000 0.916 430 G HN 1.843 nan 8.290 nan 0.000 0.550 431 G N -0.876 107.902 108.800 -0.037 0.000 2.615 431 G HA2 0.043 4.003 3.960 0.000 0.000 0.218 431 G HA3 0.043 4.003 3.960 0.000 0.000 0.218 431 G C 0.881 175.768 174.900 -0.021 0.000 1.339 431 G CA 0.739 45.822 45.100 -0.027 0.000 0.884 431 G HN 1.320 nan 8.290 nan 0.000 0.559 432 K N 0.351 120.742 120.400 -0.015 0.000 2.097 432 K HA -0.052 4.268 4.320 0.000 0.000 0.205 432 K C 2.428 179.024 176.600 -0.006 0.000 1.050 432 K CA 2.060 58.344 56.287 -0.006 0.000 0.938 432 K CB -0.371 32.128 32.500 -0.002 0.000 0.718 432 K HN 0.548 nan 8.250 nan 0.000 0.442 433 E N 1.037 121.229 120.200 -0.015 0.000 2.130 433 E HA -0.180 4.170 4.350 0.000 0.000 0.196 433 E C 1.872 178.462 176.600 -0.018 0.000 0.998 433 E CA 1.524 57.916 56.400 -0.013 0.000 0.806 433 E CB -0.399 29.281 29.700 -0.034 0.000 0.738 433 E HN 0.349 nan 8.360 nan 0.000 0.459 434 A N 0.142 122.937 122.820 -0.042 0.000 2.019 434 A HA -0.150 4.170 4.320 0.000 0.000 0.219 434 A C 1.901 179.485 177.584 0.000 0.000 1.164 434 A CA 1.015 53.021 52.037 -0.051 0.000 0.644 434 A CB -0.366 18.597 19.000 -0.062 0.000 0.805 434 A HN 0.151 nan 8.150 nan 0.000 0.449 435 L N -0.544 120.689 121.223 0.017 0.000 2.056 435 L HA -0.082 4.258 4.340 0.000 0.000 0.207 435 L C 2.954 179.877 176.870 0.087 0.000 1.078 435 L CA 1.809 56.673 54.840 0.040 0.000 0.749 435 L CB -1.259 40.816 42.059 0.027 0.000 0.901 435 L HN 0.388 nan 8.230 nan 0.000 0.433 436 A N -0.296 122.585 122.820 0.101 0.000 1.858 436 A HA -0.162 4.158 4.320 0.000 0.000 0.216 436 A C 2.311 180.100 177.584 0.343 0.000 1.190 436 A CA 1.690 53.857 52.037 0.215 0.000 0.617 436 A CB -0.733 18.356 19.000 0.149 0.000 0.827 436 A HN 0.356 nan 8.150 nan 0.000 0.443 437 I N -0.586 120.095 120.570 0.186 0.000 2.286 437 I HA -0.264 3.906 4.170 0.000 0.000 0.248 437 I C 2.470 178.662 176.117 0.125 0.000 1.115 437 I CA 1.635 63.002 61.300 0.112 0.000 1.392 437 I CB -0.475 37.508 38.000 -0.029 0.000 1.065 437 I HN 0.442 nan 8.210 nan 0.000 0.418 438 E N 0.804 121.067 120.200 0.105 0.000 2.106 438 E HA -0.190 4.160 4.350 0.000 0.000 0.192 438 E C 1.853 178.529 176.600 0.126 0.000 0.984 438 E CA 1.183 57.638 56.400 0.091 0.000 0.806 438 E CB 0.008 29.743 29.700 0.059 0.000 0.750 438 E HN 0.445 nan 8.360 nan 0.000 0.458 439 N N 0.054 118.858 118.700 0.173 0.000 2.171 439 N HA -0.116 4.624 4.740 0.000 0.000 0.184 439 N C 1.400 177.024 175.510 0.190 0.000 1.021 439 N CA 0.700 53.859 53.050 0.181 0.000 0.854 439 N CB -0.248 38.376 38.487 0.228 0.000 0.994 439 N HN 0.119 nan 8.380 nan 0.000 0.426 440 F N 1.181 121.152 119.950 0.036 0.000 2.134 440 F HA -0.168 4.359 4.527 0.000 0.000 0.299 440 F C 2.119 177.858 175.800 -0.102 0.000 1.097 440 F CA 1.177 59.067 58.000 -0.184 0.000 1.264 440 F CB -0.028 38.774 39.000 -0.329 0.000 1.001 440 F HN 0.055 nan 8.300 nan 0.000 0.479 441 A N -0.328 122.685 122.820 0.322 0.000 1.902 441 A HA -0.245 4.075 4.320 0.000 0.000 0.217 441 A C 1.771 179.416 177.584 0.101 0.000 1.181 441 A CA 2.060 54.218 52.037 0.201 0.000 0.623 441 A CB -1.146 17.931 19.000 0.127 0.000 0.818 441 A HN 0.532 nan 8.150 nan 0.000 0.443 442 D N -0.481 119.966 120.400 0.078 0.000 2.097 442 D HA -0.018 4.622 4.640 0.000 0.000 0.197 442 D C 2.109 178.411 176.300 0.003 0.000 0.984 442 D CA 1.580 55.601 54.000 0.036 0.000 0.826 442 D CB -0.200 40.623 40.800 0.039 0.000 0.973 442 D HN 0.338 nan 8.370 nan 0.000 0.460 443 A N 0.580 123.389 122.820 -0.018 0.000 1.903 443 A HA -0.216 4.104 4.320 0.000 0.000 0.219 443 A C 2.289 179.818 177.584 -0.093 0.000 1.191 443 A CA 1.626 53.614 52.037 -0.082 0.000 0.638 443 A CB -1.264 17.625 19.000 -0.185 0.000 0.823 443 A HN 0.427 nan 8.150 nan 0.000 0.451 444 L N -0.930 120.244 121.223 -0.083 0.000 2.556 444 L HA -0.213 4.127 4.340 0.000 0.000 0.230 444 L C 1.978 178.819 176.870 -0.048 0.000 1.163 444 L CA 1.361 56.164 54.840 -0.062 0.000 0.819 444 L CB -0.501 41.558 42.059 0.001 0.000 0.939 444 L HN 0.425 nan 8.230 nan 0.000 0.452 445 K N 0.041 120.416 120.400 -0.041 0.000 2.459 445 K HA -0.016 4.304 4.320 0.000 0.000 0.193 445 K C 1.724 178.299 176.600 -0.042 0.000 1.030 445 K CA 0.508 56.771 56.287 -0.040 0.000 1.026 445 K CB 0.024 32.507 32.500 -0.030 0.000 0.809 445 K HN 0.291 nan 8.250 nan 0.000 0.504 446 I N 0.248 120.789 120.570 -0.048 0.000 2.614 446 I HA -0.219 3.951 4.170 0.000 0.000 0.258 446 I C 1.731 177.821 176.117 -0.045 0.000 1.189 446 I CA 1.023 62.296 61.300 -0.045 0.000 1.462 446 I CB -0.566 37.404 38.000 -0.050 0.000 1.092 446 I HN 0.004 nan 8.210 nan 0.000 0.442 447 I N 1.372 121.914 120.570 -0.047 0.000 2.133 447 I HA -0.103 4.067 4.170 0.000 0.000 0.238 447 I C 0.142 176.234 176.117 -0.042 0.000 1.074 447 I CA 1.657 62.931 61.300 -0.043 0.000 1.342 447 I CB -2.779 35.197 38.000 -0.041 0.000 1.053 447 I HN 0.201 nan 8.210 nan 0.000 0.404 448 P HA -0.123 nan 4.420 nan 0.000 0.216 448 P C 1.821 179.099 177.300 -0.038 0.000 1.153 448 P CA 1.327 64.403 63.100 -0.041 0.000 0.844 448 P CB -0.043 31.630 31.700 -0.045 0.000 0.787 449 K N -0.257 120.121 120.400 -0.037 0.000 2.000 449 K HA -0.181 4.139 4.320 0.000 0.000 0.218 449 K C 2.081 178.660 176.600 -0.036 0.000 1.053 449 K CA 2.737 59.004 56.287 -0.034 0.000 0.946 449 K CB -1.104 31.377 32.500 -0.032 0.000 0.723 449 K HN 0.225 nan 8.250 nan 0.000 0.446 450 T N -0.560 113.971 114.554 -0.038 0.000 3.072 450 T HA -0.028 4.323 4.350 0.000 0.000 0.266 450 T C 2.064 176.736 174.700 -0.046 0.000 1.127 450 T CA 0.572 62.648 62.100 -0.040 0.000 1.107 450 T CB -0.102 68.742 68.868 -0.039 0.000 0.910 450 T HN 0.146 nan 8.240 nan 0.000 0.513 451 L N 0.398 121.592 121.223 -0.048 0.000 2.072 451 L HA 0.140 4.480 4.340 0.000 0.000 0.205 451 L C 3.266 180.096 176.870 -0.066 0.000 1.079 451 L CA 1.222 56.027 54.840 -0.059 0.000 0.752 451 L CB -0.637 41.389 42.059 -0.055 0.000 0.906 451 L HN 0.407 nan 8.230 nan 0.000 0.436 452 A N -0.470 122.318 122.820 -0.053 0.000 1.929 452 A HA -0.229 4.091 4.320 0.000 0.000 0.216 452 A C 2.174 179.729 177.584 -0.048 0.000 1.176 452 A CA 1.566 53.574 52.037 -0.050 0.000 0.628 452 A CB -0.407 18.571 19.000 -0.036 0.000 0.816 452 A HN 0.440 nan 8.150 nan 0.000 0.444 453 E N 0.348 120.522 120.200 -0.043 0.000 2.023 453 E HA -0.225 4.125 4.350 0.000 0.000 0.196 453 E C 1.614 178.188 176.600 -0.044 0.000 1.003 453 E CA 1.506 57.883 56.400 -0.039 0.000 0.809 453 E CB -0.177 29.502 29.700 -0.035 0.000 0.755 453 E HN 0.583 nan 8.360 nan 0.000 0.449 454 N N 0.175 118.844 118.700 -0.051 0.000 2.364 454 N HA -0.145 4.595 4.740 0.000 0.000 0.183 454 N C 1.425 176.894 175.510 -0.068 0.000 1.022 454 N CA 1.064 54.081 53.050 -0.056 0.000 0.883 454 N CB -0.143 38.308 38.487 -0.059 0.000 0.965 454 N HN 0.222 nan 8.380 nan 0.000 0.438 455 A N 0.132 122.905 122.820 -0.079 0.000 2.119 455 A HA 0.320 4.641 4.320 0.000 0.000 0.216 455 A C 1.594 179.139 177.584 -0.065 0.000 1.152 455 A CA 1.070 53.050 52.037 -0.095 0.000 0.708 455 A CB -0.220 18.711 19.000 -0.115 0.000 0.805 455 A HN 0.324 nan 8.150 nan 0.000 0.460 456 G N -1.477 107.294 108.800 -0.049 0.000 2.131 456 G HA2 -0.175 3.785 3.960 0.000 0.000 0.223 456 G HA3 -0.175 3.785 3.960 0.000 0.000 0.223 456 G C 0.040 174.923 174.900 -0.029 0.000 0.990 456 G CA 0.217 45.296 45.100 -0.035 0.000 0.671 456 G HN 0.446 nan 8.290 nan 0.000 0.521 457 L N -0.037 121.167 121.223 -0.032 0.000 2.431 457 L HA 0.534 4.874 4.340 0.000 0.000 0.260 457 L C 0.622 177.480 176.870 -0.021 0.000 1.098 457 L CA -0.947 53.879 54.840 -0.025 0.000 0.800 457 L CB 0.527 42.569 42.059 -0.028 0.000 1.210 457 L HN 0.071 nan 8.230 nan 0.000 0.465 458 D N 0.494 120.885 120.400 -0.015 0.000 2.498 458 D HA 0.017 4.657 4.640 0.000 0.000 0.229 458 D C 1.006 177.298 176.300 -0.014 0.000 1.188 458 D CA 0.033 54.025 54.000 -0.013 0.000 1.028 458 D CB 0.539 41.334 40.800 -0.009 0.000 1.087 458 D HN 0.511 nan 8.370 nan 0.000 0.510 459 T N 2.147 116.691 114.554 -0.017 0.000 2.427 459 T HA -0.268 4.082 4.350 0.000 0.000 0.244 459 T C 2.040 176.732 174.700 -0.014 0.000 1.325 459 T CA 2.175 64.264 62.100 -0.018 0.000 1.173 459 T CB -0.501 68.356 68.868 -0.019 0.000 0.859 459 T HN 0.326 nan 8.240 nan 0.000 0.415 460 V N 1.168 121.075 119.914 -0.012 0.000 2.233 460 V HA -0.295 3.825 4.120 0.000 0.000 0.252 460 V C 2.479 178.570 176.094 -0.006 0.000 1.063 460 V CA 2.610 64.905 62.300 -0.008 0.000 1.032 460 V CB -0.673 31.146 31.823 -0.007 0.000 0.645 460 V HN 0.574 nan 8.190 nan 0.000 0.446 461 E N -0.788 119.409 120.200 -0.005 0.000 2.028 461 E HA -0.263 4.087 4.350 0.000 0.000 0.191 461 E C 2.155 178.754 176.600 -0.002 0.000 0.988 461 E CA 1.612 58.010 56.400 -0.003 0.000 0.799 461 E CB -0.188 29.510 29.700 -0.002 0.000 0.755 461 E HN 0.494 nan 8.360 nan 0.000 0.447 462 M N 0.464 120.062 119.600 -0.005 0.000 2.267 462 M HA -0.124 4.356 4.480 0.000 0.000 0.263 462 M C 1.796 178.093 176.300 -0.005 0.000 1.063 462 M CA 1.030 56.327 55.300 -0.005 0.000 1.090 462 M CB -0.015 32.579 32.600 -0.010 0.000 1.392 462 M HN 0.245 nan 8.290 nan 0.000 0.422 463 L N -1.037 120.181 121.223 -0.007 0.000 2.418 463 L HA 0.056 4.396 4.340 0.000 0.000 0.218 463 L C 1.736 178.604 176.870 -0.003 0.000 1.125 463 L CA 0.841 55.676 54.840 -0.009 0.000 0.835 463 L CB -0.199 41.852 42.059 -0.014 0.000 0.953 463 L HN 0.176 nan 8.230 nan 0.000 0.454 464 V N -0.808 119.106 119.914 0.001 0.000 2.407 464 V HA -0.173 3.947 4.120 0.000 0.000 0.245 464 V C 2.362 178.463 176.094 0.012 0.000 1.041 464 V CA 1.488 63.791 62.300 0.006 0.000 1.040 464 V CB -0.587 31.239 31.823 0.005 0.000 0.671 464 V HN 0.385 nan 8.190 nan 0.000 0.455 465 K N 0.267 120.673 120.400 0.011 0.000 2.097 465 K HA -0.093 4.227 4.320 0.000 0.000 0.205 465 K C 2.049 178.665 176.600 0.026 0.000 1.050 465 K CA 1.375 57.673 56.287 0.017 0.000 0.938 465 K CB -0.345 32.163 32.500 0.014 0.000 0.718 465 K HN 0.370 nan 8.250 nan 0.000 0.442 466 V N 1.762 121.689 119.914 0.023 0.000 2.453 466 V HA -0.162 3.958 4.120 0.000 0.000 0.247 466 V C 2.106 178.228 176.094 0.047 0.000 1.048 466 V CA 1.359 63.679 62.300 0.034 0.000 1.049 466 V CB -0.441 31.389 31.823 0.012 0.000 0.672 466 V HN 0.260 nan 8.190 nan 0.000 0.457 467 I N 0.594 121.178 120.570 0.024 0.000 2.756 467 I HA -0.163 4.007 4.170 0.000 0.000 0.262 467 I C 2.545 178.702 176.117 0.067 0.000 1.225 467 I CA 1.396 62.712 61.300 0.027 0.000 1.472 467 I CB -0.298 37.706 38.000 0.007 0.000 1.094 467 I HN 0.423 nan 8.210 nan 0.000 0.454 468 S N 0.937 116.671 115.700 0.057 0.000 2.303 468 S HA -0.126 4.344 4.470 0.000 0.000 0.207 468 S C 1.925 176.564 174.600 0.065 0.000 1.025 468 S CA 0.697 58.929 58.200 0.052 0.000 0.953 468 S CB -0.218 63.002 63.200 0.033 0.000 0.932 468 S HN 0.276 nan 8.310 nan 0.000 0.472 469 E N 0.442 120.677 120.200 0.059 0.000 2.197 469 E HA -0.290 4.060 4.350 0.000 0.000 0.205 469 E C 1.880 178.515 176.600 0.059 0.000 1.029 469 E CA 1.990 58.420 56.400 0.050 0.000 0.828 469 E CB -0.726 29.005 29.700 0.051 0.000 0.737 469 E HN 0.813 nan 8.360 nan 0.000 0.464 470 H N 0.620 119.694 119.070 0.007 0.000 2.326 470 H HA 0.006 4.562 4.556 0.000 0.000 0.301 470 H C 2.011 177.343 175.328 0.007 0.000 1.081 470 H CA 1.797 57.849 56.048 0.007 0.000 1.334 470 H CB 0.200 29.967 29.762 0.008 0.000 1.385 470 H HN -0.023 nan 8.280 nan 0.000 0.504 471 K N -0.296 120.181 120.400 0.129 0.000 2.209 471 K HA -0.108 4.212 4.320 0.000 0.000 0.204 471 K C 1.617 178.222 176.600 0.009 0.000 1.048 471 K CA 1.175 57.503 56.287 0.069 0.000 0.940 471 K CB 0.149 32.690 32.500 0.069 0.000 0.729 471 K HN 0.383 nan 8.250 nan 0.000 0.451 472 N N 0.492 119.194 118.700 0.002 0.000 2.244 472 N HA -0.022 4.718 4.740 0.000 0.000 0.189 472 N C 1.701 177.188 175.510 -0.038 0.000 1.047 472 N CA 1.038 54.081 53.050 -0.011 0.000 0.870 472 N CB -0.158 38.329 38.487 -0.000 0.000 1.041 472 N HN 0.092 nan 8.380 nan 0.000 0.448 473 R N 0.512 120.982 120.500 -0.049 0.000 2.115 473 R HA 0.177 4.517 4.340 0.000 0.000 0.226 473 R C 0.990 177.216 176.300 -0.125 0.000 1.100 473 R CA 0.750 56.810 56.100 -0.067 0.000 0.980 473 R CB -0.057 30.217 30.300 -0.043 0.000 0.875 473 R HN 0.319 nan 8.270 nan 0.000 0.445 474 G N -0.066 108.591 108.800 -0.239 0.000 2.422 474 G HA2 -0.206 3.754 3.960 0.000 0.000 0.607 474 G HA3 -0.206 3.754 3.960 0.000 0.000 0.607 474 G C 0.099 174.629 174.900 -0.618 0.000 1.270 474 G CA -0.355 44.531 45.100 -0.356 0.000 0.992 474 G HN 0.085 nan 8.290 nan 0.000 0.499 475 L N 0.868 121.858 121.223 -0.388 0.000 2.123 475 L HA 0.011 4.351 4.340 0.000 0.000 0.217 475 L C 2.622 179.488 176.870 -0.005 0.000 1.081 475 L CA 3.793 58.534 54.840 -0.166 0.000 0.772 475 L CB -0.713 41.328 42.059 -0.030 0.000 0.890 475 L HN 1.509 nan 8.230 nan 0.000 0.437 476 G N -0.721 108.053 108.800 -0.044 0.000 3.124 476 G HA2 0.116 4.076 3.960 0.000 0.000 0.212 476 G HA3 0.116 4.076 3.960 0.000 0.000 0.212 476 G C 0.556 175.491 174.900 0.058 0.000 1.181 476 G CA -0.266 44.847 45.100 0.022 0.000 0.803 476 G HN 0.237 nan 8.290 nan 0.000 0.529 477 I N 1.508 122.139 120.570 0.102 0.000 2.315 477 I HA 0.544 4.714 4.170 0.000 0.000 0.291 477 I C 0.747 177.008 176.117 0.241 0.000 1.006 477 I CA -0.469 60.931 61.300 0.168 0.000 1.265 477 I CB 0.595 38.681 38.000 0.143 0.000 1.387 477 I HN 0.048 nan 8.210 nan 0.000 0.475 478 G N 6.418 115.287 108.800 0.116 0.000 2.870 478 G HA2 0.711 4.671 3.960 0.000 0.000 0.299 478 G HA3 0.711 4.671 3.960 0.000 0.000 0.299 478 G C -1.093 173.832 174.900 0.041 0.000 1.324 478 G CA -0.634 44.504 45.100 0.065 0.000 0.808 478 G HN 0.356 nan 8.290 nan 0.000 0.535 479 I N 0.726 121.307 120.570 0.018 0.000 2.392 479 I HA 0.301 4.471 4.170 0.000 0.000 0.295 479 I C -1.006 175.118 176.117 0.012 0.000 0.985 479 I CA -0.488 60.817 61.300 0.009 0.000 1.221 479 I CB 1.946 39.938 38.000 -0.013 0.000 1.366 479 I HN 0.277 nan 8.210 nan 0.000 0.467 480 D N 5.578 125.992 120.400 0.022 0.000 2.472 480 D HA 0.149 4.789 4.640 0.000 0.000 0.234 480 D C 0.922 177.226 176.300 0.007 0.000 1.088 480 D CA -0.579 53.449 54.000 0.047 0.000 0.882 480 D CB 1.467 42.320 40.800 0.089 0.000 1.037 480 D HN 0.368 nan 8.370 nan 0.000 0.520 481 V N 1.689 121.546 119.914 -0.095 0.000 2.982 481 V HA -0.134 3.986 4.120 0.000 0.000 0.265 481 V C 1.364 177.305 176.094 -0.255 0.000 1.122 481 V CA 1.168 63.343 62.300 -0.208 0.000 1.143 481 V CB -1.175 30.452 31.823 -0.327 0.000 0.726 481 V HN 0.300 nan 8.190 nan 0.000 0.507 482 F N 0.293 120.242 119.950 -0.003 0.000 2.530 482 F HA 0.296 4.823 4.527 0.000 0.000 0.292 482 F C 2.346 178.145 175.800 -0.003 0.000 1.109 482 F CA 1.136 59.133 58.000 -0.004 0.000 1.450 482 F CB -0.102 38.895 39.000 -0.004 0.000 1.114 482 F HN 0.197 nan 8.300 nan 0.000 0.560 483 E N -0.386 119.914 120.200 0.166 0.000 2.318 483 E HA 0.165 4.515 4.350 0.000 0.000 0.193 483 E C 1.859 178.491 176.600 0.052 0.000 0.998 483 E CA 0.811 57.269 56.400 0.096 0.000 0.859 483 E CB -0.132 29.615 29.700 0.078 0.000 0.812 483 E HN 0.245 nan 8.360 nan 0.000 0.492 484 G N 0.946 109.764 108.800 0.030 0.000 2.155 484 G HA2 -0.351 3.609 3.960 0.000 0.000 0.257 484 G HA3 -0.351 3.609 3.960 0.000 0.000 0.257 484 G C 0.098 175.003 174.900 0.008 0.000 0.983 484 G CA 1.065 46.169 45.100 0.006 0.000 0.676 484 G HN 0.414 nan 8.290 nan 0.000 0.528 485 K N -1.702 118.708 120.400 0.016 0.000 2.499 485 K HA 0.744 5.064 4.320 0.000 0.000 0.277 485 K C -3.395 173.218 176.600 0.022 0.000 1.025 485 K CA -2.325 53.972 56.287 0.016 0.000 0.900 485 K CB 1.414 33.925 32.500 0.019 0.000 1.494 485 K HN -0.037 nan 8.250 nan 0.000 0.442 486 P HA 0.274 nan 4.420 nan 0.000 0.272 486 P C -1.236 176.085 177.300 0.035 0.000 1.240 486 P CA -0.238 62.881 63.100 0.031 0.000 0.791 486 P CB 0.898 32.619 31.700 0.034 0.000 0.978 487 A N 0.216 123.061 122.820 0.041 0.000 2.540 487 A HA 0.408 4.728 4.320 0.000 0.000 0.291 487 A C -1.630 175.978 177.584 0.040 0.000 1.083 487 A CA -0.464 51.596 52.037 0.038 0.000 0.650 487 A CB 0.698 19.723 19.000 0.041 0.000 1.292 487 A HN 0.444 nan 8.150 nan 0.000 0.435 488 D N 1.669 122.087 120.400 0.030 0.000 2.380 488 D HA 0.304 4.944 4.640 0.000 0.000 0.230 488 D C 1.008 177.326 176.300 0.030 0.000 1.154 488 D CA -0.426 53.589 54.000 0.025 0.000 0.859 488 D CB 0.691 41.498 40.800 0.012 0.000 1.045 488 D HN 0.394 nan 8.370 nan 0.000 0.495 489 M N 3.212 122.835 119.600 0.038 0.000 2.159 489 M HA -0.157 4.323 4.480 0.000 0.000 0.263 489 M C 1.665 177.982 176.300 0.029 0.000 1.063 489 M CA 0.765 56.089 55.300 0.039 0.000 1.110 489 M CB -0.456 32.171 32.600 0.045 0.000 1.374 489 M HN 0.391 nan 8.290 nan 0.000 0.411 490 L N 0.545 121.782 121.223 0.022 0.000 2.083 490 L HA -0.142 4.198 4.340 0.000 0.000 0.209 490 L C 2.458 179.335 176.870 0.011 0.000 1.083 490 L CA 1.574 56.422 54.840 0.015 0.000 0.752 490 L CB -1.066 40.999 42.059 0.009 0.000 0.899 490 L HN 0.326 nan 8.230 nan 0.000 0.433 491 E N -0.149 120.058 120.200 0.012 0.000 2.153 491 E HA -0.166 4.184 4.350 0.000 0.000 0.194 491 E C 1.625 178.231 176.600 0.010 0.000 0.988 491 E CA 0.784 57.189 56.400 0.009 0.000 0.811 491 E CB 0.062 29.767 29.700 0.009 0.000 0.746 491 E HN 0.465 nan 8.360 nan 0.000 0.466 492 K N -0.782 119.628 120.400 0.016 0.000 2.367 492 K HA 0.108 4.428 4.320 0.000 0.000 0.194 492 K C 1.259 177.867 176.600 0.012 0.000 1.027 492 K CA 0.671 56.967 56.287 0.015 0.000 1.075 492 K CB 0.987 33.505 32.500 0.028 0.000 0.845 492 K HN 0.211 nan 8.250 nan 0.000 0.529 493 G N 2.179 110.987 108.800 0.013 0.000 2.162 493 G HA2 -0.260 3.700 3.960 0.000 0.000 0.260 493 G HA3 -0.260 3.700 3.960 0.000 0.000 0.260 493 G C 0.208 175.119 174.900 0.018 0.000 0.976 493 G CA -0.030 45.077 45.100 0.011 0.000 0.655 493 G HN 0.329 nan 8.290 nan 0.000 0.533 494 I N 2.266 122.853 120.570 0.028 0.000 2.278 494 I HA 0.390 4.560 4.170 0.000 0.000 0.300 494 I C 1.023 177.160 176.117 0.033 0.000 1.174 494 I CA -0.147 61.177 61.300 0.039 0.000 1.347 494 I CB -0.343 37.692 38.000 0.058 0.000 1.473 494 I HN 0.342 nan 8.210 nan 0.000 0.595 495 I N 3.096 123.682 120.570 0.026 0.000 3.145 495 I HA 0.753 4.923 4.170 0.000 0.000 0.313 495 I C -0.761 175.367 176.117 0.019 0.000 1.122 495 I CA -0.782 60.531 61.300 0.021 0.000 0.987 495 I CB 2.368 40.378 38.000 0.015 0.000 1.236 495 I HN 0.382 nan 8.210 nan 0.000 0.453 496 E N 1.246 121.455 120.200 0.015 0.000 2.433 496 E HA 0.584 4.934 4.350 0.000 0.000 0.278 496 E C -3.098 173.507 176.600 0.008 0.000 0.976 496 E CA -2.303 54.104 56.400 0.012 0.000 0.793 496 E CB 1.861 31.569 29.700 0.013 0.000 1.311 496 E HN 0.254 nan 8.360 nan 0.000 0.460 497 P HA -0.065 nan 4.420 nan 0.000 0.266 497 P C 0.650 177.953 177.300 0.004 0.000 1.195 497 P CA -0.327 62.775 63.100 0.002 0.000 0.768 497 P CB 0.496 32.197 31.700 0.002 0.000 0.838 498 L N 4.038 125.263 121.223 0.003 0.000 2.362 498 L HA -0.070 4.271 4.340 0.000 0.000 0.219 498 L C 1.747 178.619 176.870 0.005 0.000 1.134 498 L CA 1.764 56.607 54.840 0.004 0.000 0.807 498 L CB -0.692 41.368 42.059 0.003 0.000 0.927 498 L HN 0.425 nan 8.230 nan 0.000 0.447 499 R N -0.881 119.621 120.500 0.004 0.000 2.100 499 R HA -0.054 4.286 4.340 0.000 0.000 0.220 499 R C 2.155 178.459 176.300 0.007 0.000 1.091 499 R CA 1.036 57.139 56.100 0.006 0.000 0.986 499 R CB 0.054 30.357 30.300 0.006 0.000 0.888 499 R HN 0.270 nan 8.270 nan 0.000 0.444 500 V N 1.954 121.871 119.914 0.006 0.000 2.252 500 V HA -0.289 3.832 4.120 0.000 0.000 0.249 500 V C 2.310 178.407 176.094 0.005 0.000 1.056 500 V CA 1.806 64.109 62.300 0.005 0.000 1.022 500 V CB -0.367 31.459 31.823 0.005 0.000 0.641 500 V HN 0.275 nan 8.190 nan 0.000 0.445 501 K N -0.030 120.373 120.400 0.006 0.000 2.155 501 K HA -0.082 4.238 4.320 0.000 0.000 0.203 501 K C 2.127 178.734 176.600 0.012 0.000 1.052 501 K CA 1.101 57.393 56.287 0.008 0.000 0.948 501 K CB -0.285 32.221 32.500 0.009 0.000 0.728 501 K HN 0.443 nan 8.250 nan 0.000 0.448 502 K N 0.488 120.895 120.400 0.011 0.000 2.148 502 K HA -0.152 4.168 4.320 0.000 0.000 0.204 502 K C 2.140 178.749 176.600 0.016 0.000 1.050 502 K CA 0.964 57.259 56.287 0.013 0.000 0.942 502 K CB 0.100 32.605 32.500 0.008 0.000 0.724 502 K HN -0.038 nan 8.250 nan 0.000 0.446 503 Q N 0.608 120.416 119.800 0.013 0.000 2.163 503 Q HA 0.047 4.387 4.340 0.000 0.000 0.198 503 Q C 1.775 177.782 176.000 0.012 0.000 0.954 503 Q CA 1.392 57.203 55.803 0.013 0.000 0.851 503 Q CB -0.097 28.647 28.738 0.010 0.000 0.928 503 Q HN 0.249 nan 8.270 nan 0.000 0.459 504 A N 0.781 123.605 122.820 0.007 0.000 1.883 504 A HA -0.175 4.145 4.320 0.000 0.000 0.217 504 A C 1.907 179.494 177.584 0.004 0.000 1.186 504 A CA 1.645 53.682 52.037 -0.000 0.000 0.624 504 A CB -0.787 18.209 19.000 -0.007 0.000 0.822 504 A HN 0.435 nan 8.150 nan 0.000 0.444 505 I N 0.078 120.662 120.570 0.023 0.000 2.179 505 I HA -0.235 3.935 4.170 0.000 0.000 0.242 505 I C 2.324 178.480 176.117 0.065 0.000 1.088 505 I CA 1.670 63.004 61.300 0.058 0.000 1.357 505 I CB -1.329 36.726 38.000 0.092 0.000 1.051 505 I HN 0.379 nan 8.210 nan 0.000 0.409 506 K N 0.591 121.020 120.400 0.048 0.000 2.009 506 K HA -0.143 4.177 4.320 0.000 0.000 0.210 506 K C 2.316 178.939 176.600 0.039 0.000 1.049 506 K CA 1.862 58.177 56.287 0.047 0.000 0.929 506 K CB -0.221 32.299 32.500 0.033 0.000 0.714 506 K HN 0.214 nan 8.250 nan 0.000 0.440 507 S N 1.066 116.780 115.700 0.023 0.000 2.354 507 S HA -0.208 4.262 4.470 0.000 0.000 0.219 507 S C 2.221 176.826 174.600 0.008 0.000 1.035 507 S CA 1.528 59.736 58.200 0.015 0.000 1.037 507 S CB -0.436 62.767 63.200 0.006 0.000 0.956 507 S HN 0.480 nan 8.310 nan 0.000 0.428 508 A N 1.784 124.597 122.820 -0.011 0.000 1.902 508 A HA -0.130 4.190 4.320 0.000 0.000 0.217 508 A C 2.395 179.958 177.584 -0.036 0.000 1.181 508 A CA 2.210 54.222 52.037 -0.041 0.000 0.623 508 A CB -1.069 17.878 19.000 -0.088 0.000 0.818 508 A HN 0.645 nan 8.150 nan 0.000 0.443 509 S N -0.185 115.511 115.700 -0.007 0.000 2.423 509 S HA -0.148 4.322 4.470 0.000 0.000 0.231 509 S C 1.591 176.255 174.600 0.106 0.000 1.014 509 S CA 1.310 59.545 58.200 0.059 0.000 0.965 509 S CB -0.406 62.917 63.200 0.205 0.000 0.785 509 S HN 0.675 nan 8.310 nan 0.000 0.495 510 E N 1.573 121.818 120.200 0.076 0.000 2.112 510 E HA 0.090 4.440 4.350 0.000 0.000 0.190 510 E C 2.472 179.110 176.600 0.063 0.000 0.979 510 E CA 0.783 57.227 56.400 0.074 0.000 0.814 510 E CB -0.358 29.375 29.700 0.054 0.000 0.762 510 E HN 0.676 nan 8.360 nan 0.000 0.460 511 A N 2.150 124.996 122.820 0.044 0.000 1.845 511 A HA -0.135 4.186 4.320 0.000 0.000 0.215 511 A C 2.489 180.103 177.584 0.050 0.000 1.195 511 A CA 1.914 53.972 52.037 0.035 0.000 0.616 511 A CB -0.839 18.171 19.000 0.017 0.000 0.832 511 A HN 0.272 nan 8.150 nan 0.000 0.443 512 A N 0.084 122.939 122.820 0.059 0.000 1.873 512 A HA -0.193 4.127 4.320 0.000 0.000 0.218 512 A C 2.138 179.799 177.584 0.128 0.000 1.193 512 A CA 1.833 53.930 52.037 0.100 0.000 0.629 512 A CB -0.837 18.247 19.000 0.139 0.000 0.826 512 A HN 0.532 nan 8.150 nan 0.000 0.447 513 I N -0.876 119.792 120.570 0.163 0.000 2.264 513 I HA -0.305 3.865 4.170 0.000 0.000 0.248 513 I C 2.733 178.899 176.117 0.081 0.000 1.111 513 I CA 1.896 63.281 61.300 0.142 0.000 1.382 513 I CB -0.336 37.759 38.000 0.159 0.000 1.060 513 I HN 0.533 nan 8.210 nan 0.000 0.418 514 M N 0.908 120.549 119.600 0.069 0.000 2.132 514 M HA -0.195 4.285 4.480 0.000 0.000 0.263 514 M C 2.333 178.656 176.300 0.039 0.000 1.065 514 M CA 1.969 57.298 55.300 0.048 0.000 1.122 514 M CB -0.009 32.615 32.600 0.041 0.000 1.365 514 M HN 0.110 nan 8.290 nan 0.000 0.411 515 I N 0.447 121.041 120.570 0.039 0.000 2.315 515 I HA -0.300 3.870 4.170 0.000 0.000 0.248 515 I C 2.137 178.266 176.117 0.020 0.000 1.117 515 I CA 1.082 62.400 61.300 0.029 0.000 1.404 515 I CB -0.425 37.592 38.000 0.028 0.000 1.071 515 I HN 0.366 nan 8.210 nan 0.000 0.419 516 L N 0.249 121.484 121.223 0.020 0.000 2.362 516 L HA -0.128 4.212 4.340 0.000 0.000 0.219 516 L C 2.535 179.407 176.870 0.003 0.000 1.134 516 L CA 0.972 55.810 54.840 -0.003 0.000 0.807 516 L CB -0.442 41.601 42.059 -0.026 0.000 0.927 516 L HN 0.209 nan 8.230 nan 0.000 0.447 517 R N -0.181 120.331 120.500 0.020 0.000 2.200 517 R HA 0.135 4.475 4.340 0.000 0.000 0.208 517 R C 0.612 176.924 176.300 0.021 0.000 1.033 517 R CA 0.233 56.348 56.100 0.025 0.000 1.000 517 R CB 0.103 30.423 30.300 0.033 0.000 0.906 517 R HN 0.256 nan 8.270 nan 0.000 0.462 518 I N 3.239 123.820 120.570 0.019 0.000 2.421 518 I HA -0.070 4.100 4.170 0.000 0.000 0.291 518 I C 0.887 177.013 176.117 0.016 0.000 1.089 518 I CA 0.146 61.457 61.300 0.019 0.000 1.354 518 I CB 0.665 38.677 38.000 0.021 0.000 1.413 518 I HN 0.135 nan 8.210 nan 0.000 0.513 519 D N 4.424 124.834 120.400 0.018 0.000 2.398 519 D HA 0.060 4.700 4.640 0.000 0.000 0.210 519 D C -0.100 176.219 176.300 0.031 0.000 1.094 519 D CA 0.058 54.067 54.000 0.015 0.000 0.839 519 D CB 0.530 41.333 40.800 0.005 0.000 0.963 519 D HN 0.353 nan 8.370 nan 0.000 0.506 520 D N -0.055 120.369 120.400 0.040 0.000 2.977 520 D HA 0.300 4.940 4.640 0.000 0.000 0.220 520 D C -1.557 174.783 176.300 0.066 0.000 1.267 520 D CA -0.538 53.496 54.000 0.057 0.000 0.884 520 D CB 2.443 43.266 40.800 0.039 0.000 1.667 520 D HN -0.208 nan 8.370 nan 0.000 0.536 521 V N 4.611 124.592 119.914 0.112 0.000 2.487 521 V HA 0.549 4.669 4.120 0.000 0.000 0.298 521 V C -0.015 176.160 176.094 0.135 0.000 1.028 521 V CA -0.599 61.766 62.300 0.109 0.000 0.860 521 V CB 1.716 33.602 31.823 0.106 0.000 0.991 521 V HN 0.484 nan 8.190 nan 0.000 0.427 522 I N 4.481 125.094 120.570 0.073 0.000 2.466 522 I HA 0.714 4.884 4.170 0.000 0.000 0.279 522 I C 0.113 176.252 176.117 0.036 0.000 1.033 522 I CA -0.373 60.959 61.300 0.054 0.000 1.123 522 I CB 1.621 39.638 38.000 0.028 0.000 1.237 522 I HN 0.673 nan 8.210 nan 0.000 0.460 523 A N 3.928 126.777 122.820 0.048 0.000 2.355 523 A HA 0.898 5.218 4.320 0.000 0.000 0.324 523 A C 0.476 178.072 177.584 0.020 0.000 1.117 523 A CA -0.120 51.932 52.037 0.026 0.000 0.785 523 A CB 1.675 20.688 19.000 0.022 0.000 1.254 523 A HN 0.766 nan 8.150 nan 0.000 0.453 524 A N 1.195 124.020 122.820 0.008 0.000 1.864 524 A HA 0.419 4.739 4.320 0.000 0.000 0.213 524 A C 0.703 178.291 177.584 0.007 0.000 1.266 524 A CA 1.113 53.154 52.037 0.006 0.000 0.612 524 A CB -0.125 18.876 19.000 0.002 0.000 0.940 524 A HN 0.517 nan 8.150 nan 0.000 0.463 525 K N -0.514 119.888 120.400 0.004 0.000 2.753 525 K HA 0.722 5.042 4.320 0.000 0.000 0.185 525 K C -0.869 175.733 176.600 0.004 0.000 1.071 525 K CA 0.748 57.039 56.287 0.006 0.000 0.999 525 K CB 1.226 33.728 32.500 0.004 0.000 1.244 525 K HN 0.628 nan 8.250 nan 0.000 0.594 526 A N 0.000 122.824 122.820 0.007 0.000 2.254 526 A HA 0.000 4.320 4.320 0.000 0.000 0.244 526 A CA 0.000 52.040 52.037 0.004 0.000 0.836 526 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486