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 2pnq_1_B DATA FIRST_RESID 9 DATA SEQUENCE LTPPQVNSIL KANEYSFKVP EFDGKNVSSI LGFDSNRLPA NAPIEDRRSA DATA SEQUENCE TTCLQTRGML LGVFDGHAGC ACSQAVSERL FYYIAVSLLP HETLLEIENA DATA SEQUENCE VEXXXXLLPI LQWHKHPNDY FSKEASKLYF NGLRTYWQEL IDLXXXXXXD DATA SEQUENCE IDVKEALINA FKRLDNDISL EAQVGDPNSF LNYLVLRVAF SGATACVAHV DATA SEQUENCE DGVDLHVANT GDSRAMLGVQ EEDGSWSAVT LSNDHNAQNE RELQRLKLEH DATA SEQUENCE PKNEAKSVVK QDRLLGLLMP FRAFGDVKFK WSIDLQKRVI ESGPDXXXXX DATA SEQUENCE XXXXXXPPNY HTPPYLTAEP EVTYHRLRPQ DKFLVLATDG LWETMHRQDV DATA SEQUENCE VRIVGEYLTG MHHQQXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXQNAA DATA SEQUENCE THLIRHAVGX XXXXXXXXXX XXXXXXXXXX XXXXYRDDIT IIVVQFNSHV DATA SEQUENCE VGAYQNQEQ 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.882 176.870 0.020 0.000 1.165 9 L CA 0.000 54.848 54.840 0.014 0.000 0.813 9 L CB 0.000 42.042 42.059 -0.027 0.000 0.961 10 T N -3.702 110.863 114.554 0.018 0.000 2.902 10 T HA 0.583 4.932 4.350 -0.001 0.000 0.280 10 T C -1.714 172.999 174.700 0.022 0.000 0.992 10 T CA -1.222 60.888 62.100 0.016 0.000 1.015 10 T CB 1.551 70.424 68.868 0.008 0.000 1.044 10 T HN -0.120 nan 8.240 nan 0.000 0.520 11 P HA -0.089 nan 4.420 nan 0.000 0.217 11 P C -1.526 175.777 177.300 0.005 0.000 1.162 11 P CA 1.588 64.693 63.100 0.008 0.000 0.901 11 P CB -1.170 30.529 31.700 -0.003 0.000 0.793 12 P HA -0.207 nan 4.420 nan 0.000 0.213 12 P C 1.798 179.103 177.300 0.009 0.000 1.170 12 P CA 1.620 64.723 63.100 0.005 0.000 0.902 12 P CB -0.442 31.261 31.700 0.005 0.000 0.789 13 Q N -0.433 119.375 119.800 0.014 0.000 2.135 13 Q HA -0.157 4.183 4.340 -0.001 0.000 0.204 13 Q C 1.916 177.930 176.000 0.025 0.000 0.981 13 Q CA 1.661 57.475 55.803 0.019 0.000 0.856 13 Q CB -0.694 28.056 28.738 0.020 0.000 0.902 13 Q HN -0.017 nan 8.270 nan 0.000 0.425 14 V N 0.933 120.866 119.914 0.031 0.000 2.358 14 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 14 V C 1.953 178.047 176.094 -0.000 0.000 1.047 14 V CA 2.003 64.323 62.300 0.033 0.000 1.035 14 V CB -0.724 31.128 31.823 0.050 0.000 0.658 14 V HN 0.494 nan 8.190 nan 0.000 0.452 15 N N -0.060 118.637 118.700 -0.006 0.000 2.036 15 N HA -0.196 4.544 4.740 -0.001 0.000 0.195 15 N C 2.034 177.541 175.510 -0.005 0.000 1.037 15 N CA 1.757 54.799 53.050 -0.014 0.000 0.855 15 N CB -0.136 38.345 38.487 -0.010 0.000 1.033 15 N HN 0.360 nan 8.380 nan 0.000 0.423 16 S N 0.893 116.596 115.700 0.005 0.000 2.383 16 S HA -0.085 4.385 4.470 -0.001 0.000 0.229 16 S C 1.967 176.576 174.600 0.014 0.000 1.030 16 S CA 0.755 58.962 58.200 0.012 0.000 1.002 16 S CB -0.130 63.079 63.200 0.016 0.000 0.829 16 S HN 0.260 nan 8.310 nan 0.000 0.467 17 I N 1.216 121.792 120.570 0.010 0.000 2.252 17 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 17 I C 1.990 178.101 176.117 -0.011 0.000 1.102 17 I CA 0.986 62.290 61.300 0.006 0.000 1.385 17 I CB -0.326 37.681 38.000 0.012 0.000 1.064 17 I HN 0.240 nan 8.210 nan 0.000 0.414 18 L N 0.546 121.754 121.223 -0.024 0.000 2.012 18 L HA -0.271 4.069 4.340 -0.001 0.000 0.210 18 L C 2.627 179.490 176.870 -0.011 0.000 1.073 18 L CA 1.631 56.448 54.840 -0.039 0.000 0.748 18 L CB -0.774 41.251 42.059 -0.057 0.000 0.891 18 L HN 0.249 nan 8.230 nan 0.000 0.431 19 K N 0.616 121.020 120.400 0.007 0.000 2.057 19 K HA -0.184 4.136 4.320 -0.001 0.000 0.207 19 K C 2.153 178.797 176.600 0.073 0.000 1.049 19 K CA 1.386 57.693 56.287 0.034 0.000 0.931 19 K CB -0.113 32.406 32.500 0.031 0.000 0.714 19 K HN 0.254 nan 8.250 nan 0.000 0.440 20 A N 1.286 124.145 122.820 0.065 0.000 1.972 20 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 20 A C 1.544 179.213 177.584 0.142 0.000 1.169 20 A CA 1.637 53.738 52.037 0.108 0.000 0.635 20 A CB -0.322 18.721 19.000 0.071 0.000 0.810 20 A HN 0.402 nan 8.150 nan 0.000 0.446 21 N N -0.407 118.283 118.700 -0.017 0.000 2.236 21 N HA 0.064 4.804 4.740 -0.001 0.000 0.196 21 N C 0.042 175.411 175.510 -0.234 0.000 1.114 21 N CA -0.001 52.849 53.050 -0.332 0.000 0.859 21 N CB 0.154 38.493 38.487 -0.247 0.000 0.982 21 N HN 0.657 nan 8.380 nan 0.000 0.493 22 E N 0.474 120.717 120.200 0.072 0.000 2.465 22 E HA -0.065 4.285 4.350 -0.001 0.000 0.260 22 E C -1.129 175.684 176.600 0.354 0.000 0.980 22 E CA 0.366 56.850 56.400 0.140 0.000 0.927 22 E CB 0.367 30.126 29.700 0.098 0.000 0.934 22 E HN 0.095 nan 8.360 nan 0.000 0.459 23 Y N 2.282 122.668 120.300 0.144 0.000 2.524 23 Y HA 0.404 4.953 4.550 -0.001 0.000 0.347 23 Y C -1.079 174.849 175.900 0.047 0.000 1.005 23 Y CA -0.615 57.595 58.100 0.183 0.000 1.025 23 Y CB 1.787 40.405 38.460 0.264 0.000 1.275 23 Y HN 0.501 nan 8.280 nan 0.000 0.460 24 S N 5.160 120.468 115.700 -0.653 0.000 2.546 24 S HA 0.703 5.173 4.470 -0.001 0.000 0.272 24 S C -1.796 172.375 174.600 -0.715 0.000 1.140 24 S CA -0.696 57.186 58.200 -0.530 0.000 0.920 24 S CB 1.562 64.594 63.200 -0.281 0.000 1.083 24 S HN 0.699 nan 8.310 nan 0.000 0.476 25 F N 2.161 121.592 119.950 -0.865 0.000 2.561 25 F HA 0.671 5.198 4.527 -0.001 0.000 0.313 25 F C -1.117 174.395 175.800 -0.479 0.000 1.126 25 F CA -0.515 57.030 58.000 -0.758 0.000 0.918 25 F CB 1.481 39.815 39.000 -1.109 0.000 1.199 25 F HN 0.551 nan 8.300 nan 0.000 0.444 26 K N 5.967 125.750 120.400 -1.027 0.000 2.270 26 K HA 0.465 4.785 4.320 -0.001 0.000 0.255 26 K C -0.911 175.107 176.600 -0.970 0.000 0.936 26 K CA -0.854 54.985 56.287 -0.747 0.000 0.809 26 K CB 2.313 34.566 32.500 -0.413 0.000 1.131 26 K HN 0.578 nan 8.250 nan 0.000 0.427 27 V N 0.265 119.837 119.914 -0.569 0.000 2.555 27 V HA 0.235 4.355 4.120 -0.001 0.000 0.286 27 V C -2.179 173.783 176.094 -0.220 0.000 1.044 27 V CA -1.710 60.378 62.300 -0.354 0.000 1.026 27 V CB 0.287 32.054 31.823 -0.094 0.000 0.981 27 V HN 0.482 nan 8.190 nan 0.000 0.480 28 P HA 0.068 nan 4.420 nan 0.000 0.252 28 P C -0.060 177.178 177.300 -0.102 0.000 1.183 28 P CA 0.535 63.642 63.100 0.012 0.000 0.973 28 P CB -0.029 31.830 31.700 0.265 0.000 0.990 29 E N 4.871 125.025 120.200 -0.077 0.000 2.168 29 E HA 0.098 4.448 4.350 -0.001 0.000 0.254 29 E C -0.840 175.717 176.600 -0.072 0.000 1.228 29 E CA 0.007 56.337 56.400 -0.117 0.000 0.956 29 E CB -0.726 28.945 29.700 -0.048 0.000 1.031 29 E HN 0.242 nan 8.360 nan 0.000 0.441 30 F N 1.969 121.931 119.950 0.019 0.000 2.563 30 F HA 0.420 4.946 4.527 -0.001 0.000 0.316 30 F C 0.786 176.601 175.800 0.026 0.000 1.076 30 F CA -1.506 56.506 58.000 0.020 0.000 0.921 30 F CB 1.023 40.036 39.000 0.021 0.000 1.209 30 F HN 0.183 nan 8.300 nan 0.000 0.462 31 D N 1.797 122.331 120.400 0.223 0.000 2.178 31 D HA -0.023 4.617 4.640 -0.001 0.000 0.201 31 D C 1.367 177.772 176.300 0.174 0.000 0.980 31 D CA 1.253 55.328 54.000 0.125 0.000 0.842 31 D CB -0.330 40.529 40.800 0.100 0.000 0.948 31 D HN 0.903 nan 8.370 nan 0.000 0.472 32 G N 1.284 110.305 108.800 0.368 0.000 2.168 32 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.240 32 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.240 32 G C -0.003 175.001 174.900 0.173 0.000 1.080 32 G CA -0.153 45.133 45.100 0.311 0.000 0.877 32 G HN 0.208 nan 8.290 nan 0.000 0.446 33 K N 2.960 123.418 120.400 0.096 0.000 2.250 33 K HA -0.007 4.313 4.320 -0.001 0.000 0.277 33 K C 0.255 176.861 176.600 0.009 0.000 1.091 33 K CA 0.291 56.597 56.287 0.032 0.000 1.046 33 K CB 0.035 32.550 32.500 0.025 0.000 0.982 33 K HN 0.516 nan 8.250 nan 0.000 0.429 34 N N 0.578 119.237 118.700 -0.068 0.000 2.456 34 N HA 0.110 4.849 4.740 -0.001 0.000 0.296 34 N C 0.579 176.082 175.510 -0.013 0.000 1.102 34 N CA -0.425 52.572 53.050 -0.088 0.000 0.924 34 N CB 1.771 40.067 38.487 -0.318 0.000 1.186 34 N HN 0.070 nan 8.380 nan 0.000 0.492 35 V N 0.606 120.552 119.914 0.053 0.000 3.650 35 V HA 0.100 4.219 4.120 -0.001 0.000 0.271 35 V C 0.466 176.670 176.094 0.183 0.000 1.281 35 V CA 0.434 62.839 62.300 0.174 0.000 1.120 35 V CB 0.216 32.168 31.823 0.216 0.000 0.856 35 V HN 0.666 nan 8.190 nan 0.000 0.443 36 S N 1.032 116.785 115.700 0.089 0.000 2.737 36 S HA -0.054 4.415 4.470 -0.001 0.000 0.315 36 S C 1.526 176.184 174.600 0.097 0.000 1.236 36 S CA 0.549 58.799 58.200 0.083 0.000 1.093 36 S CB 0.566 63.802 63.200 0.059 0.000 0.832 36 S HN 0.765 nan 8.310 nan 0.000 0.507 37 S N 4.250 119.988 115.700 0.063 0.000 2.603 37 S HA 0.228 4.698 4.470 -0.001 0.000 0.220 37 S C 0.379 175.113 174.600 0.224 0.000 0.967 37 S CA -0.096 58.139 58.200 0.059 0.000 0.920 37 S CB -0.213 62.910 63.200 -0.129 0.000 0.773 37 S HN 0.643 nan 8.310 nan 0.000 0.529 38 I N 1.465 122.160 120.570 0.210 0.000 2.404 38 I HA 0.287 4.456 4.170 -0.001 0.000 0.293 38 I C 0.835 177.025 176.117 0.122 0.000 0.992 38 I CA -0.568 60.867 61.300 0.226 0.000 1.149 38 I CB 1.913 40.039 38.000 0.211 0.000 1.315 38 I HN 0.112 nan 8.210 nan 0.000 0.446 39 L N 4.895 126.168 121.223 0.082 0.000 2.162 39 L HA 0.260 4.600 4.340 -0.001 0.000 0.205 39 L C 0.855 177.699 176.870 -0.042 0.000 1.086 39 L CA 0.905 55.752 54.840 0.012 0.000 0.778 39 L CB 0.205 42.267 42.059 0.004 0.000 0.928 39 L HN 0.885 nan 8.230 nan 0.000 0.446 40 G N -1.137 107.670 108.800 0.012 0.000 2.341 40 G HA2 0.223 4.182 3.960 -0.001 0.000 0.293 40 G HA3 0.223 4.182 3.960 -0.001 0.000 0.293 40 G C -1.787 173.212 174.900 0.164 0.000 1.298 40 G CA -0.302 44.810 45.100 0.021 0.000 0.868 40 G HN 0.047 nan 8.290 nan 0.000 0.540 41 F N -1.056 118.935 119.950 0.069 0.000 2.626 41 F HA 0.863 5.390 4.527 -0.001 0.000 0.311 41 F C -1.460 174.384 175.800 0.074 0.000 1.088 41 F CA -1.345 56.686 58.000 0.052 0.000 0.949 41 F CB 1.918 40.968 39.000 0.084 0.000 1.322 41 F HN 0.395 nan 8.300 nan 0.000 0.461 42 D N 0.887 121.405 120.400 0.196 0.000 2.433 42 D HA 0.661 5.301 4.640 -0.001 0.000 0.236 42 D C -1.122 175.331 176.300 0.255 0.000 1.026 42 D CA -0.387 53.677 54.000 0.106 0.000 0.884 42 D CB 2.112 42.916 40.800 0.006 0.000 1.384 42 D HN 0.850 nan 8.370 nan 0.000 0.477 43 S N 0.983 116.831 115.700 0.246 0.000 2.537 43 S HA 0.743 5.212 4.470 -0.001 0.000 0.270 43 S C -1.050 173.626 174.600 0.127 0.000 1.142 43 S CA -0.808 57.524 58.200 0.221 0.000 0.870 43 S CB 2.441 65.849 63.200 0.346 0.000 1.112 43 S HN 0.334 nan 8.310 nan 0.000 0.466 44 N N 0.136 118.855 118.700 0.032 0.000 2.927 44 N HA 0.586 5.325 4.740 -0.001 0.000 0.248 44 N C -1.871 173.597 175.510 -0.071 0.000 1.443 44 N CA -0.564 52.466 53.050 -0.033 0.000 0.870 44 N CB 2.207 40.660 38.487 -0.057 0.000 1.444 44 N HN 0.817 nan 8.380 nan 0.000 0.519 45 R N 0.553 120.995 120.500 -0.097 0.000 2.626 45 R HA 0.541 4.881 4.340 -0.001 0.000 0.274 45 R C -1.177 175.067 176.300 -0.094 0.000 1.031 45 R CA -0.642 55.401 56.100 -0.094 0.000 0.898 45 R CB 2.067 32.318 30.300 -0.082 0.000 1.222 45 R HN 0.380 nan 8.270 nan 0.000 0.455 46 L N 3.835 124.999 121.223 -0.099 0.000 2.325 46 L HA 0.531 4.870 4.340 -0.001 0.000 0.281 46 L C -2.448 174.458 176.870 0.059 0.000 1.004 46 L CA -2.075 52.717 54.840 -0.080 0.000 0.823 46 L CB 2.485 44.355 42.059 -0.315 0.000 1.236 46 L HN 0.297 nan 8.230 nan 0.000 0.415 47 P HA 0.253 nan 4.420 nan 0.000 0.284 47 P C -0.437 176.983 177.300 0.199 0.000 1.253 47 P CA -0.264 62.911 63.100 0.126 0.000 0.800 47 P CB 1.790 33.532 31.700 0.070 0.000 0.961 48 A N 2.680 125.584 122.820 0.139 0.000 2.211 48 A HA 0.239 4.559 4.320 -0.001 0.000 0.208 48 A C 0.365 177.949 177.584 0.000 0.000 1.250 48 A CA 0.475 52.532 52.037 0.033 0.000 0.935 48 A CB -0.322 18.710 19.000 0.054 0.000 0.982 48 A HN 0.499 nan 8.150 nan 0.000 0.490 49 N N -1.159 117.559 118.700 0.030 0.000 2.384 49 N HA 0.631 5.370 4.740 -0.001 0.000 0.301 49 N C 0.924 176.448 175.510 0.024 0.000 1.133 49 N CA 0.252 53.316 53.050 0.023 0.000 0.853 49 N CB 1.538 40.046 38.487 0.035 0.000 1.241 49 N HN 0.155 nan 8.380 nan 0.000 0.502 50 A N 1.873 124.704 122.820 0.020 0.000 2.365 50 A HA -0.042 4.278 4.320 -0.001 0.000 0.201 50 A C -1.469 176.133 177.584 0.029 0.000 1.169 50 A CA 1.368 53.418 52.037 0.021 0.000 0.869 50 A CB -1.809 17.203 19.000 0.020 0.000 0.810 50 A HN 0.626 nan 8.150 nan 0.000 0.540 51 P HA 0.317 nan 4.420 nan 0.000 0.276 51 P C -0.014 177.309 177.300 0.039 0.000 1.253 51 P CA -0.182 62.942 63.100 0.041 0.000 0.766 51 P CB 0.452 32.182 31.700 0.049 0.000 0.845 52 I N 2.734 123.326 120.570 0.037 0.000 2.993 52 I HA -0.165 4.004 4.170 -0.001 0.000 0.301 52 I C 1.010 177.142 176.117 0.024 0.000 1.229 52 I CA 0.748 62.067 61.300 0.032 0.000 1.435 52 I CB 0.739 38.753 38.000 0.024 0.000 1.328 52 I HN 0.511 nan 8.210 nan 0.000 0.584 53 E N 3.575 123.791 120.200 0.027 0.000 2.460 53 E HA 0.057 4.407 4.350 -0.001 0.000 0.200 53 E C -0.545 176.061 176.600 0.009 0.000 1.011 53 E CA -0.099 56.312 56.400 0.017 0.000 0.912 53 E CB 0.262 29.984 29.700 0.035 0.000 0.953 53 E HN 0.628 nan 8.360 nan 0.000 0.494 54 D N 1.166 121.577 120.400 0.019 0.000 2.302 54 D HA 0.272 4.912 4.640 -0.001 0.000 0.248 54 D C -0.268 176.034 176.300 0.003 0.000 1.094 54 D CA 0.124 54.140 54.000 0.027 0.000 0.897 54 D CB 0.966 41.781 40.800 0.025 0.000 1.200 54 D HN -0.191 nan 8.370 nan 0.000 0.429 55 R N 0.326 120.853 120.500 0.045 0.000 2.837 55 R HA 0.650 4.990 4.340 -0.001 0.000 0.271 55 R C -0.814 175.569 176.300 0.138 0.000 0.993 55 R CA -0.872 55.233 56.100 0.008 0.000 0.931 55 R CB 1.680 31.912 30.300 -0.113 0.000 1.206 55 R HN 0.476 nan 8.270 nan 0.000 0.474 56 R N -0.138 120.402 120.500 0.067 0.000 2.621 56 R HA 0.800 5.140 4.340 -0.001 0.000 0.284 56 R C -1.289 175.076 176.300 0.108 0.000 0.998 56 R CA -0.846 55.330 56.100 0.126 0.000 0.895 56 R CB 2.174 32.509 30.300 0.058 0.000 1.195 56 R HN 0.470 nan 8.270 nan 0.000 0.450 57 S N 0.485 116.329 115.700 0.239 0.000 2.564 57 S HA 0.897 5.366 4.470 -0.001 0.000 0.274 57 S C -1.518 173.335 174.600 0.423 0.000 1.124 57 S CA -0.696 57.653 58.200 0.248 0.000 0.869 57 S CB 2.104 65.334 63.200 0.051 0.000 1.105 57 S HN 0.867 nan 8.310 nan 0.000 0.472 58 A N 1.454 124.551 122.820 0.461 0.000 2.520 58 A HA 0.898 5.218 4.320 -0.001 0.000 0.298 58 A C -0.910 176.837 177.584 0.271 0.000 1.051 58 A CA -0.671 51.549 52.037 0.305 0.000 0.690 58 A CB 1.677 20.678 19.000 0.001 0.000 1.281 58 A HN 0.637 nan 8.150 nan 0.000 0.402 59 T N 0.846 115.439 114.554 0.064 0.000 2.957 59 T HA 0.701 5.051 4.350 -0.001 0.000 0.336 59 T C -0.163 174.448 174.700 -0.149 0.000 1.462 59 T CA 0.173 62.130 62.100 -0.239 0.000 1.073 59 T CB 1.528 69.992 68.868 -0.673 0.000 1.319 59 T HN 1.432 nan 8.240 nan 0.000 0.485 60 T N 0.891 115.364 114.554 -0.135 0.000 2.799 60 T HA 0.540 4.889 4.350 -0.001 0.000 0.286 60 T C 0.460 175.107 174.700 -0.089 0.000 0.973 60 T CA -0.460 61.641 62.100 0.001 0.000 1.035 60 T CB -0.029 68.936 68.868 0.162 0.000 0.932 60 T HN 0.869 nan 8.240 nan 0.000 0.469 61 C N 4.282 123.552 119.300 -0.050 0.000 2.627 61 C HA 0.228 4.688 4.460 -0.001 0.000 0.404 61 C C 2.087 177.081 174.990 0.006 0.000 1.340 61 C CA -0.626 58.370 59.018 -0.036 0.000 1.758 61 C CB -1.435 26.313 27.740 0.015 0.000 2.501 61 C HN 0.912 nan 8.230 nan 0.000 0.588 62 L N 2.182 123.406 121.223 0.002 0.000 2.179 62 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 62 L C 2.322 179.216 176.870 0.039 0.000 1.096 62 L CA 1.212 56.071 54.840 0.032 0.000 0.779 62 L CB -0.365 41.715 42.059 0.034 0.000 0.922 62 L HN 0.698 nan 8.230 nan 0.000 0.443 63 Q N -0.615 119.204 119.800 0.032 0.000 2.376 63 Q HA 0.057 4.396 4.340 -0.001 0.000 0.206 63 Q C 0.146 176.170 176.000 0.039 0.000 0.921 63 Q CA 0.512 56.334 55.803 0.031 0.000 0.911 63 Q CB 0.610 29.360 28.738 0.019 0.000 1.032 63 Q HN 0.359 nan 8.270 nan 0.000 0.510 64 T N -1.713 112.870 114.554 0.048 0.000 2.912 64 T HA 0.422 4.772 4.350 -0.001 0.000 0.288 64 T C 0.527 175.271 174.700 0.074 0.000 1.030 64 T CA -0.817 61.324 62.100 0.068 0.000 1.020 64 T CB 1.842 70.764 68.868 0.091 0.000 1.056 64 T HN -0.024 nan 8.240 nan 0.000 0.480 65 R N 1.060 121.609 120.500 0.081 0.000 2.083 65 R HA 0.017 4.356 4.340 -0.001 0.000 0.237 65 R C 1.728 178.055 176.300 0.045 0.000 1.137 65 R CA 1.134 57.277 56.100 0.072 0.000 0.951 65 R CB -0.766 29.581 30.300 0.079 0.000 0.851 65 R HN 0.835 nan 8.270 nan 0.000 0.434 66 G N 0.738 109.553 108.800 0.025 0.000 2.945 66 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.248 66 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.248 66 G C -0.321 174.518 174.900 -0.101 0.000 1.250 66 G CA -0.252 44.765 45.100 -0.137 0.000 0.886 66 G HN 0.119 nan 8.290 nan 0.000 0.609 67 M N -0.185 119.297 119.600 -0.196 0.000 2.393 67 M HA 0.525 5.004 4.480 -0.001 0.000 0.299 67 M C -1.670 174.507 176.300 -0.204 0.000 1.103 67 M CA -0.847 54.381 55.300 -0.119 0.000 0.910 67 M CB 1.860 34.446 32.600 -0.022 0.000 1.659 67 M HN 0.269 nan 8.290 nan 0.000 0.445 68 L N 5.417 126.470 121.223 -0.284 0.000 2.296 68 L HA 0.642 4.982 4.340 -0.001 0.000 0.286 68 L C -1.328 175.254 176.870 -0.479 0.000 1.023 68 L CA -0.084 54.426 54.840 -0.550 0.000 0.812 68 L CB 1.764 43.127 42.059 -1.160 0.000 1.223 68 L HN 0.618 nan 8.230 nan 0.000 0.421 69 L N 2.729 123.763 121.223 -0.313 0.000 2.431 69 L HA 0.973 5.313 4.340 -0.001 0.000 0.266 69 L C 0.077 177.027 176.870 0.135 0.000 0.978 69 L CA -0.213 54.590 54.840 -0.061 0.000 0.822 69 L CB 2.283 44.212 42.059 -0.216 0.000 1.310 69 L HN 0.641 nan 8.230 nan 0.000 0.409 70 G N 1.128 110.138 108.800 0.351 0.000 2.673 70 G HA2 0.673 4.633 3.960 -0.001 0.000 0.292 70 G HA3 0.673 4.633 3.960 -0.001 0.000 0.292 70 G C -2.149 172.654 174.900 -0.161 0.000 1.450 70 G CA -0.514 44.645 45.100 0.099 0.000 0.837 70 G HN 0.304 nan 8.290 nan 0.000 0.505 71 V N 0.167 119.740 119.914 -0.568 0.000 2.769 71 V HA 0.781 4.900 4.120 -0.001 0.000 0.312 71 V C -1.238 174.329 176.094 -0.879 0.000 1.061 71 V CA -0.634 61.398 62.300 -0.447 0.000 0.931 71 V CB 1.686 33.421 31.823 -0.148 0.000 1.010 71 V HN 0.594 nan 8.190 nan 0.000 0.433 72 F N 1.826 121.773 119.950 -0.004 0.000 2.562 72 F HA 0.419 4.945 4.527 -0.001 0.000 0.319 72 F C -0.245 175.542 175.800 -0.021 0.000 1.154 72 F CA -0.841 57.144 58.000 -0.024 0.000 0.931 72 F CB 1.565 40.497 39.000 -0.114 0.000 1.198 72 F HN 0.377 nan 8.300 nan 0.000 0.444 73 D N 2.698 123.183 120.400 0.141 0.000 2.396 73 D HA 0.361 5.000 4.640 -0.001 0.000 0.225 73 D C 0.168 176.511 176.300 0.072 0.000 1.121 73 D CA 0.103 54.169 54.000 0.109 0.000 0.853 73 D CB 1.323 42.198 40.800 0.125 0.000 1.043 73 D HN 0.713 nan 8.370 nan 0.000 0.500 74 G N 2.441 111.249 108.800 0.012 0.000 2.451 74 G HA2 0.559 4.518 3.960 -0.001 0.000 0.303 74 G HA3 0.559 4.518 3.960 -0.001 0.000 0.303 74 G C -0.732 174.117 174.900 -0.086 0.000 1.166 74 G CA -0.476 44.552 45.100 -0.121 0.000 0.884 74 G HN 0.718 nan 8.290 nan 0.000 0.514 75 H N -2.660 116.447 119.070 0.061 0.000 3.008 75 H HA 0.639 5.195 4.556 -0.001 0.000 0.354 75 H C 0.333 175.697 175.328 0.060 0.000 1.252 75 H CA -0.626 55.458 56.048 0.060 0.000 1.117 75 H CB 1.261 31.062 29.762 0.066 0.000 1.857 75 H HN 1.495 nan 8.280 nan 0.000 0.547 76 A N -0.214 122.745 122.820 0.231 0.000 2.860 76 A HA 0.226 4.546 4.320 -0.001 0.000 0.267 76 A C 1.158 178.798 177.584 0.092 0.000 1.421 76 A CA 1.681 53.816 52.037 0.164 0.000 0.831 76 A CB -2.199 16.936 19.000 0.225 0.000 1.041 76 A HN 2.477 nan 8.150 nan 0.000 0.623 77 G N -4.182 104.656 108.800 0.063 0.000 2.343 77 G HA2 0.310 4.270 3.960 -0.001 0.000 0.465 77 G HA3 0.310 4.270 3.960 -0.001 0.000 0.465 77 G C 0.680 175.580 174.900 0.001 0.000 1.282 77 G CA 0.508 45.627 45.100 0.031 0.000 0.996 77 G HN 2.018 nan 8.290 nan 0.000 0.521 78 C N -0.902 118.396 119.300 -0.002 0.000 3.065 78 C HA 0.725 5.185 4.460 -0.001 0.000 0.285 78 C C 2.894 177.856 174.990 -0.046 0.000 1.257 78 C CA 1.054 60.059 59.018 -0.023 0.000 1.691 78 C CB -0.658 27.086 27.740 0.006 0.000 2.089 78 C HN 2.067 nan 8.230 nan 0.000 0.630 79 A N 0.695 123.494 122.820 -0.034 0.000 1.869 79 A HA -0.290 4.029 4.320 -0.001 0.000 0.218 79 A C 2.359 179.895 177.584 -0.079 0.000 1.203 79 A CA 2.487 54.500 52.037 -0.041 0.000 0.638 79 A CB -1.563 17.409 19.000 -0.047 0.000 0.831 79 A HN 0.750 nan 8.150 nan 0.000 0.450 80 C N -0.110 119.130 119.300 -0.100 0.000 2.453 80 C HA -0.060 4.399 4.460 -0.001 0.000 0.277 80 C C 3.444 178.309 174.990 -0.208 0.000 1.262 80 C CA 1.757 60.690 59.018 -0.140 0.000 1.718 80 C CB -1.318 26.349 27.740 -0.121 0.000 2.031 80 C HN 0.785 nan 8.230 nan 0.000 0.480 81 S N 0.361 115.950 115.700 -0.185 0.000 2.382 81 S HA -0.276 4.194 4.470 -0.001 0.000 0.228 81 S C 1.757 176.168 174.600 -0.314 0.000 1.027 81 S CA 1.787 59.863 58.200 -0.207 0.000 0.991 81 S CB -0.713 62.425 63.200 -0.104 0.000 0.823 81 S HN 0.743 nan 8.310 nan 0.000 0.469 82 Q N 2.504 122.151 119.800 -0.255 0.000 2.050 82 Q HA 0.100 4.440 4.340 -0.001 0.000 0.202 82 Q C 2.176 177.974 176.000 -0.337 0.000 0.980 82 Q CA 1.976 57.592 55.803 -0.312 0.000 0.840 82 Q CB -1.110 27.514 28.738 -0.190 0.000 0.898 82 Q HN 0.579 nan 8.270 nan 0.000 0.424 83 A N 0.352 123.019 122.820 -0.256 0.000 1.851 83 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 83 A C 2.282 179.583 177.584 -0.471 0.000 1.195 83 A CA 2.542 54.414 52.037 -0.275 0.000 0.622 83 A CB -1.538 17.325 19.000 -0.228 0.000 0.831 83 A HN 0.694 nan 8.150 nan 0.000 0.444 84 V N -2.382 117.171 119.914 -0.601 0.000 2.720 84 V HA -0.140 3.980 4.120 -0.001 0.000 0.256 84 V C 2.112 177.571 176.094 -1.059 0.000 1.082 84 V CA 2.709 64.498 62.300 -0.852 0.000 1.101 84 V CB -0.879 30.280 31.823 -1.107 0.000 0.693 84 V HN 0.385 nan 8.190 nan 0.000 0.479 85 S N 1.360 116.398 115.700 -1.103 0.000 2.382 85 S HA -0.200 4.270 4.470 -0.001 0.000 0.228 85 S C 1.823 175.967 174.600 -0.760 0.000 1.027 85 S CA 1.958 59.416 58.200 -1.236 0.000 0.991 85 S CB -0.280 62.419 63.200 -0.836 0.000 0.823 85 S HN 1.015 nan 8.310 nan 0.000 0.469 86 E N -0.565 119.348 120.200 -0.478 0.000 2.476 86 E HA 0.163 4.513 4.350 -0.001 0.000 0.199 86 E C 1.717 178.425 176.600 0.179 0.000 1.021 86 E CA -0.107 56.205 56.400 -0.146 0.000 0.907 86 E CB 0.143 29.813 29.700 -0.050 0.000 0.974 86 E HN 0.291 nan 8.360 nan 0.000 0.489 87 R N -0.130 120.339 120.500 -0.052 0.000 2.191 87 R HA 0.171 4.510 4.340 -0.001 0.000 0.196 87 R C 2.052 178.476 176.300 0.206 0.000 0.991 87 R CA 0.083 56.247 56.100 0.106 0.000 1.075 87 R CB -0.187 29.969 30.300 -0.239 0.000 1.040 87 R HN 0.059 nan 8.270 nan 0.000 0.526 88 L N 0.938 122.101 121.223 -0.099 0.000 2.013 88 L HA -0.137 4.202 4.340 -0.001 0.000 0.212 88 L C 1.753 178.847 176.870 0.373 0.000 1.073 88 L CA 1.844 56.678 54.840 -0.011 0.000 0.753 88 L CB -0.503 41.405 42.059 -0.252 0.000 0.890 88 L HN 0.013 nan 8.230 nan 0.000 0.432 89 F N -1.212 118.803 119.950 0.109 0.000 2.216 89 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 89 F C 2.407 178.224 175.800 0.027 0.000 1.085 89 F CA 0.840 58.851 58.000 0.019 0.000 1.326 89 F CB -1.522 37.357 39.000 -0.202 0.000 1.027 89 F HN 0.159 nan 8.300 nan 0.000 0.497 90 Y N -2.072 118.479 120.300 0.419 0.000 2.242 90 Y HA -0.248 4.302 4.550 -0.001 0.000 0.291 90 Y C 2.378 178.443 175.900 0.276 0.000 1.137 90 Y CA 1.359 59.647 58.100 0.312 0.000 1.181 90 Y CB -0.806 37.832 38.460 0.298 0.000 0.989 90 Y HN -0.057 nan 8.280 nan 0.000 0.527 91 Y N -0.745 119.772 120.300 0.362 0.000 2.293 91 Y HA -0.190 4.359 4.550 -0.001 0.000 0.291 91 Y C 2.198 178.301 175.900 0.339 0.000 1.137 91 Y CA 1.074 59.379 58.100 0.342 0.000 1.202 91 Y CB -0.523 38.027 38.460 0.150 0.000 0.990 91 Y HN 0.112 nan 8.280 nan 0.000 0.537 92 I N -0.977 119.837 120.570 0.407 0.000 2.286 92 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 92 I C 2.541 178.759 176.117 0.168 0.000 1.104 92 I CA 0.949 62.409 61.300 0.267 0.000 1.397 92 I CB -0.553 37.567 38.000 0.200 0.000 1.072 92 I HN 0.168 nan 8.210 nan 0.000 0.417 93 A N 0.698 123.612 122.820 0.157 0.000 1.841 93 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 93 A C 2.416 180.069 177.584 0.115 0.000 1.199 93 A CA 2.083 54.180 52.037 0.101 0.000 0.621 93 A CB -1.185 17.867 19.000 0.087 0.000 0.835 93 A HN 0.201 nan 8.150 nan 0.000 0.445 94 V N 0.365 120.383 119.914 0.173 0.000 2.317 94 V HA -0.278 3.842 4.120 -0.001 0.000 0.251 94 V C 2.900 179.026 176.094 0.054 0.000 1.065 94 V CA 2.551 64.924 62.300 0.122 0.000 1.049 94 V CB -0.937 30.991 31.823 0.175 0.000 0.651 94 V HN 0.771 nan 8.190 nan 0.000 0.450 95 S N -0.692 115.091 115.700 0.140 0.000 2.442 95 S HA -0.086 4.383 4.470 -0.001 0.000 0.236 95 S C 1.656 176.284 174.600 0.048 0.000 1.007 95 S CA 1.388 59.662 58.200 0.124 0.000 0.965 95 S CB -0.293 63.070 63.200 0.271 0.000 0.773 95 S HN 0.590 nan 8.310 nan 0.000 0.504 96 L N 0.591 121.831 121.223 0.029 0.000 2.585 96 L HA 0.349 4.689 4.340 -0.001 0.000 0.226 96 L C -0.259 176.612 176.870 0.001 0.000 1.113 96 L CA -0.397 54.439 54.840 -0.006 0.000 0.876 96 L CB -0.009 42.029 42.059 -0.036 0.000 1.072 96 L HN 0.216 nan 8.230 nan 0.000 0.468 97 L N 0.948 122.171 121.223 0.000 0.000 2.380 97 L HA 0.272 4.611 4.340 -0.001 0.000 0.273 97 L C -1.956 174.903 176.870 -0.017 0.000 1.138 97 L CA -1.331 53.501 54.840 -0.013 0.000 0.832 97 L CB -0.095 41.945 42.059 -0.032 0.000 1.124 97 L HN -0.207 nan 8.230 nan 0.000 0.454 98 P HA 0.120 nan 4.420 nan 0.000 0.274 98 P C 0.408 177.721 177.300 0.021 0.000 1.237 98 P CA -0.240 62.871 63.100 0.020 0.000 0.793 98 P CB 0.495 32.209 31.700 0.025 0.000 0.977 99 H N 1.289 120.339 119.070 -0.034 0.000 2.357 99 H HA -0.206 4.350 4.556 -0.001 0.000 0.296 99 H C 1.502 176.801 175.328 -0.048 0.000 1.108 99 H CA 2.056 58.081 56.048 -0.038 0.000 1.273 99 H CB 0.207 29.954 29.762 -0.025 0.000 1.367 99 H HN 0.485 nan 8.280 nan 0.000 0.498 100 E N -0.853 119.416 120.200 0.116 0.000 2.077 100 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 100 E C 2.160 178.728 176.600 -0.053 0.000 0.989 100 E CA 1.688 58.119 56.400 0.051 0.000 0.800 100 E CB 0.019 29.748 29.700 0.049 0.000 0.746 100 E HN 0.608 nan 8.360 nan 0.000 0.452 101 T N 1.862 116.375 114.554 -0.069 0.000 2.737 101 T HA -0.101 4.248 4.350 -0.001 0.000 0.265 101 T C 2.089 176.663 174.700 -0.209 0.000 1.038 101 T CA 0.660 62.693 62.100 -0.112 0.000 1.144 101 T CB -0.275 68.542 68.868 -0.085 0.000 0.866 101 T HN 0.093 nan 8.240 nan 0.000 0.434 102 L N 0.542 121.621 121.223 -0.241 0.000 2.043 102 L HA -0.129 4.211 4.340 -0.001 0.000 0.212 102 L C 2.639 179.273 176.870 -0.393 0.000 1.075 102 L CA 0.987 55.609 54.840 -0.363 0.000 0.752 102 L CB -0.766 41.107 42.059 -0.310 0.000 0.891 102 L HN 0.241 nan 8.230 nan 0.000 0.432 103 L N 0.516 121.557 121.223 -0.304 0.000 1.943 103 L HA -0.226 4.113 4.340 -0.001 0.000 0.215 103 L C 2.729 179.493 176.870 -0.178 0.000 1.074 103 L CA 2.357 57.066 54.840 -0.219 0.000 0.759 103 L CB -1.118 40.862 42.059 -0.132 0.000 0.888 103 L HN 0.518 nan 8.230 nan 0.000 0.433 104 E N -0.712 119.402 120.200 -0.144 0.000 2.401 104 E HA -0.209 4.141 4.350 -0.001 0.000 0.199 104 E C 2.053 178.554 176.600 -0.166 0.000 1.023 104 E CA 0.961 57.291 56.400 -0.117 0.000 0.859 104 E CB -0.217 29.435 29.700 -0.080 0.000 0.780 104 E HN 0.561 nan 8.360 nan 0.000 0.523 105 I N 0.656 121.054 120.570 -0.287 0.000 2.585 105 I HA -0.127 4.042 4.170 -0.001 0.000 0.254 105 I C 2.517 178.386 176.117 -0.413 0.000 1.129 105 I CA 0.739 61.795 61.300 -0.406 0.000 1.455 105 I CB 0.026 37.620 38.000 -0.677 0.000 1.111 105 I HN 0.045 nan 8.210 nan 0.000 0.433 106 E N 1.694 121.645 120.200 -0.415 0.000 2.028 106 E HA -0.167 4.183 4.350 -0.001 0.000 0.190 106 E C 1.679 178.274 176.600 -0.009 0.000 0.984 106 E CA 1.405 57.735 56.400 -0.117 0.000 0.800 106 E CB -0.274 29.412 29.700 -0.022 0.000 0.758 106 E HN 0.242 nan 8.360 nan 0.000 0.448 107 N N -0.100 118.570 118.700 -0.049 0.000 2.626 107 N HA -0.056 4.684 4.740 -0.001 0.000 0.193 107 N C 0.528 176.033 175.510 -0.009 0.000 1.213 107 N CA 0.763 53.804 53.050 -0.014 0.000 0.914 107 N CB 0.232 38.705 38.487 -0.023 0.000 0.994 107 N HN 0.241 nan 8.380 nan 0.000 0.447 108 A N -0.639 122.169 122.820 -0.019 0.000 2.197 108 A HA 0.125 4.445 4.320 -0.001 0.000 0.210 108 A C 2.145 179.755 177.584 0.042 0.000 1.180 108 A CA 0.028 52.062 52.037 -0.005 0.000 0.846 108 A CB 0.270 19.246 19.000 -0.040 0.000 0.884 108 A HN 0.072 nan 8.150 nan 0.000 0.487 109 V N -0.256 119.714 119.914 0.094 0.000 2.407 109 V HA 0.045 4.165 4.120 -0.001 0.000 0.245 109 V C 1.020 177.175 176.094 0.103 0.000 1.041 109 V CA 1.549 63.940 62.300 0.152 0.000 1.040 109 V CB -0.237 31.758 31.823 0.288 0.000 0.671 109 V HN 0.612 nan 8.190 nan 0.000 0.455 116 L N -0.186 121.041 121.223 0.006 0.000 2.303 116 L HA 0.882 5.221 4.340 -0.001 0.000 0.266 116 L C -2.500 174.396 176.870 0.044 0.000 1.011 116 L CA -2.121 52.725 54.840 0.011 0.000 0.818 116 L CB 0.857 42.906 42.059 -0.016 0.000 1.326 116 L HN 0.265 nan 8.230 nan 0.000 0.435 117 P HA 0.367 nan 4.420 nan 0.000 0.281 117 P C -0.181 177.170 177.300 0.085 0.000 1.286 117 P CA -0.139 63.009 63.100 0.079 0.000 0.772 117 P CB 1.051 32.788 31.700 0.062 0.000 0.862 118 I N 2.320 122.975 120.570 0.142 0.000 2.947 118 I HA 0.153 4.323 4.170 -0.001 0.000 0.263 118 I C 0.651 176.799 176.117 0.053 0.000 1.130 118 I CA 0.767 62.148 61.300 0.136 0.000 1.448 118 I CB -0.135 38.033 38.000 0.280 0.000 1.222 118 I HN 0.171 nan 8.210 nan 0.000 0.453 119 L N 0.336 121.578 121.223 0.032 0.000 2.371 119 L HA 0.532 4.872 4.340 -0.001 0.000 0.262 119 L C -0.785 176.000 176.870 -0.141 0.000 1.006 119 L CA -0.564 54.163 54.840 -0.187 0.000 0.818 119 L CB 2.240 43.962 42.059 -0.562 0.000 1.354 119 L HN 0.068 nan 8.230 nan 0.000 0.415 120 Q N 1.235 120.891 119.800 -0.240 0.000 2.339 120 Q HA 0.324 4.664 4.340 -0.001 0.000 0.268 120 Q C -1.784 173.992 176.000 -0.373 0.000 1.027 120 Q CA -0.581 55.127 55.803 -0.158 0.000 0.759 120 Q CB 1.074 29.762 28.738 -0.083 0.000 1.244 120 Q HN 0.444 nan 8.270 nan 0.000 0.464 121 W N 2.245 123.470 121.300 -0.125 0.000 2.184 121 W HA 0.252 4.912 4.660 -0.000 0.000 0.338 121 W C -0.091 176.275 176.519 -0.255 0.000 1.257 121 W CA -0.066 57.207 57.345 -0.121 0.000 1.243 121 W CB 0.708 30.273 29.460 0.174 0.000 1.122 121 W HN 0.637 nan 8.180 nan 0.000 0.585 122 H N 1.282 120.555 119.070 0.338 0.000 2.439 122 H HA 0.222 4.778 4.556 -0.001 0.000 0.239 122 H C -0.256 175.169 175.328 0.162 0.000 1.432 122 H CA -0.765 55.441 56.048 0.264 0.000 1.373 122 H CB 0.531 30.393 29.762 0.166 0.000 1.463 122 H HN 0.141 nan 8.280 nan 0.000 0.530 123 K N 1.716 122.192 120.400 0.128 0.000 2.221 123 K HA 0.209 4.529 4.320 -0.001 0.000 0.258 123 K C -0.732 175.677 176.600 -0.319 0.000 0.944 123 K CA -0.936 55.246 56.287 -0.175 0.000 0.823 123 K CB 1.280 33.723 32.500 -0.095 0.000 1.113 123 K HN 0.506 nan 8.250 nan 0.000 0.431 124 H N 4.087 122.781 119.070 -0.627 0.000 2.897 124 H HA 0.057 4.613 4.556 -0.001 0.000 0.347 124 H C -1.884 173.410 175.328 -0.056 0.000 1.068 124 H CA -0.589 55.306 56.048 -0.255 0.000 1.426 124 H CB 1.293 30.954 29.762 -0.168 0.000 1.410 124 H HN 0.501 nan 8.280 nan 0.000 0.597 125 P HA -0.172 nan 4.420 nan 0.000 0.221 125 P C 0.953 178.314 177.300 0.102 0.000 1.145 125 P CA 1.138 64.215 63.100 -0.038 0.000 0.795 125 P CB 0.258 31.899 31.700 -0.098 0.000 0.775 126 N N -0.782 118.123 118.700 0.342 0.000 2.216 126 N HA -0.051 4.689 4.740 -0.001 0.000 0.183 126 N C 0.235 175.844 175.510 0.164 0.000 1.017 126 N CA 0.890 54.108 53.050 0.280 0.000 0.861 126 N CB -0.241 38.431 38.487 0.307 0.000 0.986 126 N HN 0.169 nan 8.380 nan 0.000 0.428 127 D N 0.100 120.536 120.400 0.061 0.000 2.357 127 D HA 0.120 4.760 4.640 -0.001 0.000 0.242 127 D C 0.130 176.339 176.300 -0.150 0.000 1.153 127 D CA 0.341 54.260 54.000 -0.134 0.000 0.918 127 D CB 0.553 41.188 40.800 -0.274 0.000 1.181 127 D HN 0.249 nan 8.370 nan 0.000 0.435 128 Y N -2.113 117.980 120.300 -0.346 0.000 2.715 128 Y HA 0.699 5.249 4.550 -0.000 0.000 0.331 128 Y C -1.403 174.146 175.900 -0.586 0.000 1.197 128 Y CA -1.537 56.345 58.100 -0.363 0.000 1.079 128 Y CB 0.810 39.176 38.460 -0.156 0.000 1.298 128 Y HN 0.108 nan 8.280 nan 0.000 0.477 129 F N 0.589 120.577 119.950 0.063 0.000 2.508 129 F HA 0.554 5.081 4.527 -0.001 0.000 0.325 129 F C 0.534 176.406 175.800 0.120 0.000 1.090 129 F CA -0.962 57.018 58.000 -0.034 0.000 0.945 129 F CB 2.190 41.122 39.000 -0.113 0.000 1.156 129 F HN 0.613 nan 8.300 nan 0.000 0.463 130 S N 2.093 117.966 115.700 0.289 0.000 2.558 130 S HA 0.089 4.559 4.470 -0.001 0.000 0.288 130 S C 1.004 175.647 174.600 0.072 0.000 1.318 130 S CA -0.445 57.858 58.200 0.173 0.000 1.056 130 S CB 0.611 63.864 63.200 0.088 0.000 0.853 130 S HN 0.618 nan 8.310 nan 0.000 0.505 131 K N 3.497 123.915 120.400 0.029 0.000 1.986 131 K HA 0.093 4.413 4.320 -0.001 0.000 0.215 131 K C 1.869 178.436 176.600 -0.056 0.000 1.033 131 K CA 1.523 57.803 56.287 -0.012 0.000 0.962 131 K CB -0.430 32.055 32.500 -0.025 0.000 0.755 131 K HN 0.714 nan 8.250 nan 0.000 0.444 132 E N 0.090 120.253 120.200 -0.062 0.000 2.511 132 E HA 0.010 4.360 4.350 -0.001 0.000 0.196 132 E C 0.962 177.471 176.600 -0.152 0.000 1.066 132 E CA 0.409 56.765 56.400 -0.074 0.000 0.871 132 E CB 0.170 29.855 29.700 -0.024 0.000 0.863 132 E HN 0.336 nan 8.360 nan 0.000 0.520 133 A N 0.368 123.013 122.820 -0.292 0.000 2.308 133 A HA 0.055 4.375 4.320 -0.001 0.000 0.217 133 A C 2.014 179.271 177.584 -0.544 0.000 1.216 133 A CA 0.161 51.832 52.037 -0.610 0.000 0.864 133 A CB 0.107 18.319 19.000 -1.313 0.000 0.902 133 A HN 0.115 nan 8.150 nan 0.000 0.499 134 S N 0.477 116.023 115.700 -0.257 0.000 2.370 134 S HA -0.228 4.241 4.470 -0.001 0.000 0.226 134 S C 1.968 176.561 174.600 -0.011 0.000 1.033 134 S CA 2.155 60.292 58.200 -0.105 0.000 1.011 134 S CB -0.222 62.924 63.200 -0.090 0.000 0.852 134 S HN 0.671 nan 8.310 nan 0.000 0.457 135 K N 0.670 121.052 120.400 -0.030 0.000 1.985 135 K HA -0.027 4.293 4.320 -0.001 0.000 0.210 135 K C 2.140 178.813 176.600 0.121 0.000 1.047 135 K CA 1.484 57.804 56.287 0.054 0.000 0.932 135 K CB -0.580 31.932 32.500 0.020 0.000 0.716 135 K HN 0.297 nan 8.250 nan 0.000 0.439 136 L N 0.270 121.515 121.223 0.036 0.000 1.989 136 L HA -0.233 4.107 4.340 -0.001 0.000 0.211 136 L C 2.229 179.228 176.870 0.215 0.000 1.071 136 L CA 1.577 56.467 54.840 0.083 0.000 0.749 136 L CB -0.332 41.746 42.059 0.031 0.000 0.890 136 L HN 0.190 nan 8.230 nan 0.000 0.431 137 Y N -0.912 119.427 120.300 0.065 0.000 2.207 137 Y HA -0.297 4.253 4.550 -0.001 0.000 0.287 137 Y C 2.412 178.329 175.900 0.028 0.000 1.156 137 Y CA 1.164 59.300 58.100 0.061 0.000 1.182 137 Y CB -1.361 37.138 38.460 0.065 0.000 0.979 137 Y HN 0.332 nan 8.280 nan 0.000 0.521 138 F N 1.174 121.170 119.950 0.078 0.000 2.095 138 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 138 F C 2.052 177.778 175.800 -0.122 0.000 1.104 138 F CA 1.891 59.865 58.000 -0.043 0.000 1.232 138 F CB -0.463 38.516 39.000 -0.035 0.000 0.987 138 F HN 0.032 nan 8.300 nan 0.000 0.475 139 N N 0.188 118.787 118.700 -0.169 0.000 2.166 139 N HA -0.145 4.595 4.740 -0.001 0.000 0.186 139 N C 2.095 177.405 175.510 -0.333 0.000 1.019 139 N CA 0.965 53.832 53.050 -0.304 0.000 0.856 139 N CB -0.666 37.791 38.487 -0.050 0.000 0.993 139 N HN 0.479 nan 8.380 nan 0.000 0.426 140 G N 2.013 110.723 108.800 -0.150 0.000 2.446 140 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 140 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 140 G C 1.592 176.360 174.900 -0.219 0.000 1.168 140 G CA 0.432 45.489 45.100 -0.072 0.000 0.771 140 G HN 0.147 nan 8.290 nan 0.000 0.551 141 L N 0.642 121.623 121.223 -0.403 0.000 1.994 141 L HA 0.011 4.351 4.340 -0.001 0.000 0.208 141 L C 2.951 179.164 176.870 -1.095 0.000 1.071 141 L CA 2.337 56.771 54.840 -0.677 0.000 0.745 141 L CB -0.493 41.214 42.059 -0.587 0.000 0.892 141 L HN 0.342 nan 8.230 nan 0.000 0.431 142 R N -1.096 118.394 120.500 -1.683 0.000 2.113 142 R HA -0.231 4.109 4.340 -0.001 0.000 0.244 142 R C 1.922 177.346 176.300 -1.460 0.000 1.142 142 R CA 2.482 57.115 56.100 -2.444 0.000 0.953 142 R CB -0.989 28.432 30.300 -1.465 0.000 0.860 142 R HN 0.386 nan 8.270 nan 0.000 0.438 143 T N 0.071 114.189 114.554 -0.727 0.000 2.759 143 T HA -0.220 4.130 4.350 -0.001 0.000 0.269 143 T C 1.425 175.999 174.700 -0.210 0.000 1.042 143 T CA 1.631 63.521 62.100 -0.350 0.000 1.140 143 T CB -0.482 68.279 68.868 -0.179 0.000 0.864 143 T HN 0.481 nan 8.240 nan 0.000 0.455 144 Y N 0.963 121.029 120.300 -0.390 0.000 2.133 144 Y HA -0.213 4.337 4.550 -0.001 0.000 0.287 144 Y C 2.349 178.187 175.900 -0.102 0.000 1.134 144 Y CA 1.530 59.513 58.100 -0.195 0.000 1.133 144 Y CB -0.202 38.131 38.460 -0.212 0.000 0.987 144 Y HN 0.448 nan 8.280 nan 0.000 0.502 145 W N 1.307 122.437 121.300 -0.284 0.000 2.425 145 W HA -0.068 4.592 4.660 -0.001 0.000 0.277 145 W C 1.706 178.088 176.519 -0.228 0.000 1.231 145 W CA 1.058 58.189 57.345 -0.356 0.000 1.248 145 W CB -1.197 28.104 29.460 -0.264 0.000 1.117 145 W HN 0.143 nan 8.180 nan 0.000 0.568 146 Q N 0.673 120.527 119.800 0.090 0.000 2.119 146 Q HA -0.199 4.140 4.340 -0.001 0.000 0.201 146 Q C 2.016 178.040 176.000 0.040 0.000 0.972 146 Q CA 2.056 57.931 55.803 0.119 0.000 0.847 146 Q CB -0.307 28.441 28.738 0.017 0.000 0.903 146 Q HN 0.396 nan 8.270 nan 0.000 0.433 147 E N 0.261 120.466 120.200 0.009 0.000 2.110 147 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 147 E C 1.665 178.271 176.600 0.011 0.000 0.988 147 E CA 0.781 57.200 56.400 0.032 0.000 0.804 147 E CB 0.087 29.842 29.700 0.091 0.000 0.745 147 E HN 0.133 nan 8.360 nan 0.000 0.458 148 L N 0.105 121.292 121.223 -0.060 0.000 2.141 148 L HA -0.111 4.229 4.340 -0.001 0.000 0.209 148 L C 1.968 178.824 176.870 -0.024 0.000 1.094 148 L CA 1.309 56.106 54.840 -0.072 0.000 0.763 148 L CB -0.296 41.652 42.059 -0.185 0.000 0.908 148 L HN 0.215 nan 8.230 nan 0.000 0.437 149 I N -1.009 119.538 120.570 -0.037 0.000 2.546 149 I HA -0.218 3.952 4.170 -0.001 0.000 0.255 149 I C 1.944 178.091 176.117 0.050 0.000 1.163 149 I CA 0.588 61.841 61.300 -0.078 0.000 1.457 149 I CB -0.372 37.563 38.000 -0.108 0.000 1.092 149 I HN 0.208 nan 8.210 nan 0.000 0.434 150 D N 1.382 121.812 120.400 0.049 0.000 2.106 150 D HA -0.093 4.547 4.640 -0.001 0.000 0.191 150 D C 1.010 177.358 176.300 0.079 0.000 0.997 150 D CA 1.209 55.246 54.000 0.062 0.000 0.834 150 D CB -0.275 40.554 40.800 0.048 0.000 0.956 150 D HN 0.216 nan 8.370 nan 0.000 0.448 159 I N 2.083 122.650 120.570 -0.006 0.000 2.433 159 I HA 0.225 4.395 4.170 -0.001 0.000 0.292 159 I C -0.295 175.804 176.117 -0.031 0.000 1.001 159 I CA -0.787 60.505 61.300 -0.014 0.000 1.119 159 I CB 1.994 39.987 38.000 -0.012 0.000 1.289 159 I HN 0.213 nan 8.210 nan 0.000 0.438 160 D N 6.296 126.672 120.400 -0.040 0.000 2.380 160 D HA 0.121 4.760 4.640 -0.001 0.000 0.230 160 D C 0.935 177.165 176.300 -0.116 0.000 1.154 160 D CA -0.242 53.720 54.000 -0.064 0.000 0.859 160 D CB 1.769 42.540 40.800 -0.047 0.000 1.045 160 D HN 0.249 nan 8.370 nan 0.000 0.495 161 V N 5.244 125.044 119.914 -0.190 0.000 2.324 161 V HA -0.276 3.844 4.120 -0.001 0.000 0.250 161 V C 2.590 178.450 176.094 -0.390 0.000 1.060 161 V CA 2.191 64.279 62.300 -0.353 0.000 1.042 161 V CB -0.562 30.924 31.823 -0.562 0.000 0.650 161 V HN 0.632 nan 8.190 nan 0.000 0.450 162 K N 0.174 120.358 120.400 -0.360 0.000 2.009 162 K HA -0.276 4.044 4.320 -0.001 0.000 0.210 162 K C 2.092 178.622 176.600 -0.116 0.000 1.049 162 K CA 2.202 58.368 56.287 -0.202 0.000 0.929 162 K CB -0.193 32.272 32.500 -0.057 0.000 0.714 162 K HN 0.372 nan 8.250 nan 0.000 0.440 163 E N 0.118 120.270 120.200 -0.080 0.000 2.150 163 E HA -0.065 4.284 4.350 -0.001 0.000 0.193 163 E C 1.690 178.284 176.600 -0.010 0.000 0.985 163 E CA 1.157 57.536 56.400 -0.035 0.000 0.814 163 E CB -0.115 29.574 29.700 -0.019 0.000 0.752 163 E HN 0.481 nan 8.360 nan 0.000 0.466 164 A N 0.113 122.915 122.820 -0.030 0.000 1.930 164 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 164 A C 2.107 179.734 177.584 0.071 0.000 1.175 164 A CA 0.991 53.042 52.037 0.023 0.000 0.627 164 A CB -0.531 18.453 19.000 -0.026 0.000 0.815 164 A HN 0.229 nan 8.150 nan 0.000 0.443 165 L N -0.657 120.568 121.223 0.004 0.000 2.027 165 L HA -0.161 4.179 4.340 -0.001 0.000 0.206 165 L C 2.479 179.401 176.870 0.087 0.000 1.074 165 L CA 1.343 56.222 54.840 0.066 0.000 0.745 165 L CB -0.530 41.483 42.059 -0.077 0.000 0.898 165 L HN 0.349 nan 8.230 nan 0.000 0.433 166 I N 0.052 120.603 120.570 -0.032 0.000 2.208 166 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 166 I C 2.242 178.418 176.117 0.099 0.000 1.097 166 I CA 1.195 62.478 61.300 -0.029 0.000 1.363 166 I CB -0.447 37.523 38.000 -0.050 0.000 1.051 166 I HN 0.366 nan 8.210 nan 0.000 0.413 167 N N 1.115 119.887 118.700 0.120 0.000 2.142 167 N HA -0.116 4.624 4.740 -0.001 0.000 0.186 167 N C 1.946 177.581 175.510 0.208 0.000 1.023 167 N CA 1.611 54.756 53.050 0.158 0.000 0.852 167 N CB -0.486 38.114 38.487 0.188 0.000 0.998 167 N HN 0.355 nan 8.380 nan 0.000 0.424 168 A N 0.777 123.775 122.820 0.296 0.000 1.883 168 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 168 A C 2.168 179.933 177.584 0.300 0.000 1.186 168 A CA 1.095 53.338 52.037 0.343 0.000 0.624 168 A CB -1.076 18.176 19.000 0.420 0.000 0.822 168 A HN 0.230 nan 8.150 nan 0.000 0.444 169 F N -0.011 120.028 119.950 0.149 0.000 2.069 169 F HA -0.195 4.332 4.527 -0.001 0.000 0.298 169 F C 2.471 178.287 175.800 0.026 0.000 1.113 169 F CA 1.884 60.013 58.000 0.215 0.000 1.214 169 F CB -0.101 39.001 39.000 0.170 0.000 0.978 169 F HN 0.114 nan 8.300 nan 0.000 0.474 170 K N -0.449 120.046 120.400 0.160 0.000 2.147 170 K HA -0.149 4.170 4.320 -0.001 0.000 0.205 170 K C 2.214 178.788 176.600 -0.045 0.000 1.049 170 K CA 0.588 56.878 56.287 0.005 0.000 0.936 170 K CB -0.116 32.391 32.500 0.012 0.000 0.722 170 K HN 0.016 nan 8.250 nan 0.000 0.446 171 R N 1.067 121.525 120.500 -0.071 0.000 2.070 171 R HA -0.098 4.242 4.340 -0.001 0.000 0.233 171 R C 2.260 178.384 176.300 -0.294 0.000 1.137 171 R CA 1.141 57.121 56.100 -0.200 0.000 0.945 171 R CB -0.737 29.317 30.300 -0.410 0.000 0.845 171 R HN 0.168 nan 8.270 nan 0.000 0.430 172 L N 1.550 122.500 121.223 -0.454 0.000 2.083 172 L HA -0.173 4.167 4.340 -0.001 0.000 0.209 172 L C 1.792 178.557 176.870 -0.174 0.000 1.083 172 L CA 2.145 56.625 54.840 -0.600 0.000 0.752 172 L CB -0.864 40.796 42.059 -0.665 0.000 0.899 172 L HN 0.121 nan 8.230 nan 0.000 0.433 173 D N -0.857 119.545 120.400 0.004 0.000 2.117 173 D HA -0.245 4.395 4.640 -0.001 0.000 0.197 173 D C 2.020 178.296 176.300 -0.039 0.000 0.987 173 D CA 1.283 55.279 54.000 -0.007 0.000 0.829 173 D CB -0.259 40.401 40.800 -0.232 0.000 0.961 173 D HN 0.420 nan 8.370 nan 0.000 0.460 174 N N -0.001 118.667 118.700 -0.052 0.000 2.270 174 N HA -0.136 4.604 4.740 -0.001 0.000 0.181 174 N C 0.982 176.492 175.510 0.000 0.000 1.016 174 N CA 0.921 53.966 53.050 -0.009 0.000 0.870 174 N CB -0.039 38.442 38.487 -0.010 0.000 0.979 174 N HN 0.138 nan 8.380 nan 0.000 0.431 175 D N 0.755 121.124 120.400 -0.051 0.000 2.178 175 D HA -0.002 4.638 4.640 -0.001 0.000 0.202 175 D C 2.040 178.336 176.300 -0.006 0.000 0.974 175 D CA 0.364 54.347 54.000 -0.028 0.000 0.841 175 D CB -0.010 40.755 40.800 -0.057 0.000 0.953 175 D HN 0.374 nan 8.370 nan 0.000 0.478 176 I N 0.086 120.634 120.570 -0.036 0.000 2.315 176 I HA -0.228 3.942 4.170 -0.001 0.000 0.248 176 I C 2.448 178.593 176.117 0.046 0.000 1.117 176 I CA 0.649 61.939 61.300 -0.018 0.000 1.404 176 I CB -0.159 37.811 38.000 -0.049 0.000 1.071 176 I HN -0.054 nan 8.210 nan 0.000 0.419 177 S N 1.641 117.393 115.700 0.086 0.000 2.348 177 S HA -0.154 4.315 4.470 -0.001 0.000 0.221 177 S C 1.962 176.777 174.600 0.358 0.000 1.033 177 S CA 1.677 60.035 58.200 0.263 0.000 1.010 177 S CB -0.276 63.120 63.200 0.327 0.000 0.891 177 S HN 0.403 nan 8.310 nan 0.000 0.442 178 L N 0.438 121.774 121.223 0.188 0.000 2.313 178 L HA 0.368 4.707 4.340 -0.001 0.000 0.214 178 L C 1.883 178.819 176.870 0.111 0.000 1.119 178 L CA 1.245 56.156 54.840 0.119 0.000 0.809 178 L CB -1.043 41.051 42.059 0.058 0.000 0.933 178 L HN 0.155 nan 8.230 nan 0.000 0.449 179 E N 1.072 121.340 120.200 0.114 0.000 2.150 179 E HA -0.084 4.266 4.350 -0.001 0.000 0.193 179 E C 2.307 178.990 176.600 0.137 0.000 0.985 179 E CA 1.056 57.521 56.400 0.110 0.000 0.814 179 E CB -0.162 29.602 29.700 0.108 0.000 0.752 179 E HN 0.662 nan 8.360 nan 0.000 0.466 180 A N 0.580 123.513 122.820 0.189 0.000 2.066 180 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 180 A C 1.871 179.620 177.584 0.274 0.000 1.157 180 A CA 0.907 53.097 52.037 0.254 0.000 0.670 180 A CB -0.088 19.100 19.000 0.313 0.000 0.804 180 A HN 0.156 nan 8.150 nan 0.000 0.453 181 Q N -0.769 119.144 119.800 0.190 0.000 2.302 181 Q HA 0.016 4.356 4.340 -0.001 0.000 0.202 181 Q C 1.514 177.538 176.000 0.040 0.000 0.936 181 Q CA 1.269 57.102 55.803 0.051 0.000 0.886 181 Q CB 0.213 28.903 28.738 -0.080 0.000 0.986 181 Q HN 0.542 nan 8.270 nan 0.000 0.487 182 V N -0.975 118.974 119.914 0.058 0.000 3.565 182 V HA 0.225 4.345 4.120 -0.001 0.000 0.260 182 V C 0.887 177.014 176.094 0.055 0.000 1.231 182 V CA 0.241 62.566 62.300 0.042 0.000 1.100 182 V CB -0.350 31.494 31.823 0.036 0.000 0.807 182 V HN 0.376 nan 8.190 nan 0.000 0.454 183 G N 2.207 111.054 108.800 0.078 0.000 3.626 183 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.556 183 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.556 183 G C -0.369 174.569 174.900 0.063 0.000 1.206 183 G CA 0.533 45.681 45.100 0.080 0.000 1.267 183 G HN 0.547 nan 8.290 nan 0.000 0.577 184 D N 3.443 123.882 120.400 0.064 0.000 2.210 184 D HA 0.331 4.971 4.640 -0.001 0.000 0.249 184 D C -1.003 175.327 176.300 0.051 0.000 1.062 184 D CA -1.952 52.081 54.000 0.054 0.000 0.891 184 D CB 1.722 42.555 40.800 0.055 0.000 1.186 184 D HN 0.049 nan 8.370 nan 0.000 0.432 185 P HA -0.155 nan 4.420 nan 0.000 0.217 185 P C -0.076 177.257 177.300 0.055 0.000 1.158 185 P CA 1.047 64.173 63.100 0.043 0.000 0.887 185 P CB 0.090 31.814 31.700 0.039 0.000 0.792 186 N N -0.739 118.003 118.700 0.070 0.000 2.357 186 N HA -0.054 4.686 4.740 -0.001 0.000 0.257 186 N C 1.069 176.643 175.510 0.107 0.000 1.250 186 N CA 0.249 53.365 53.050 0.109 0.000 0.862 186 N CB 0.446 39.005 38.487 0.119 0.000 1.066 186 N HN 0.080 nan 8.380 nan 0.000 0.468 187 S N 1.802 117.576 115.700 0.124 0.000 2.399 187 S HA -0.100 4.369 4.470 -0.001 0.000 0.231 187 S C 1.306 175.724 174.600 -0.305 0.000 1.022 187 S CA 1.188 59.342 58.200 -0.077 0.000 0.983 187 S CB -0.101 63.032 63.200 -0.112 0.000 0.803 187 S HN 0.458 nan 8.310 nan 0.000 0.480 188 F N 0.735 120.730 119.950 0.074 0.000 2.293 188 F HA 0.175 4.701 4.527 -0.001 0.000 0.297 188 F C 1.867 177.736 175.800 0.114 0.000 1.089 188 F CA 0.279 58.348 58.000 0.116 0.000 1.377 188 F CB -0.470 38.574 39.000 0.074 0.000 1.051 188 F HN 0.108 nan 8.300 nan 0.000 0.511 189 L N -0.073 121.261 121.223 0.185 0.000 2.083 189 L HA -0.225 4.115 4.340 -0.001 0.000 0.209 189 L C 2.456 179.375 176.870 0.082 0.000 1.083 189 L CA 1.182 56.086 54.840 0.107 0.000 0.752 189 L CB -0.594 41.511 42.059 0.077 0.000 0.899 189 L HN 0.158 nan 8.230 nan 0.000 0.433 190 N N -0.944 117.797 118.700 0.067 0.000 2.069 190 N HA -0.283 4.457 4.740 -0.001 0.000 0.191 190 N C 1.949 177.525 175.510 0.109 0.000 1.031 190 N CA 1.556 54.650 53.050 0.073 0.000 0.852 190 N CB -0.141 38.371 38.487 0.043 0.000 1.018 190 N HN 0.295 nan 8.380 nan 0.000 0.423 191 Y N 1.777 122.023 120.300 -0.091 0.000 2.224 191 Y HA -0.106 4.443 4.550 -0.001 0.000 0.289 191 Y C 2.358 178.261 175.900 0.006 0.000 1.146 191 Y CA 0.880 58.929 58.100 -0.085 0.000 1.182 191 Y CB -0.671 37.654 38.460 -0.225 0.000 0.983 191 Y HN 0.051 nan 8.280 nan 0.000 0.524 192 L N -0.424 120.769 121.223 -0.051 0.000 2.017 192 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 192 L C 2.592 179.446 176.870 -0.026 0.000 1.073 192 L CA 1.899 56.696 54.840 -0.072 0.000 0.745 192 L CB -0.774 41.303 42.059 0.031 0.000 0.894 192 L HN 0.195 nan 8.230 nan 0.000 0.432 193 V N -2.455 117.486 119.914 0.044 0.000 2.490 193 V HA -0.229 3.890 4.120 -0.001 0.000 0.250 193 V C 2.318 178.456 176.094 0.073 0.000 1.061 193 V CA 1.667 64.016 62.300 0.082 0.000 1.064 193 V CB -0.732 31.160 31.823 0.114 0.000 0.670 193 V HN 0.381 nan 8.190 nan 0.000 0.461 194 L N 0.314 121.583 121.223 0.077 0.000 2.044 194 L HA 0.084 4.424 4.340 -0.001 0.000 0.205 194 L C 2.887 179.833 176.870 0.127 0.000 1.075 194 L CA 1.954 56.902 54.840 0.179 0.000 0.747 194 L CB -0.931 41.249 42.059 0.202 0.000 0.903 194 L HN 0.250 nan 8.230 nan 0.000 0.435 195 R N -1.281 119.146 120.500 -0.121 0.000 2.091 195 R HA -0.147 4.192 4.340 -0.001 0.000 0.238 195 R C 2.170 178.446 176.300 -0.040 0.000 1.136 195 R CA 1.437 57.447 56.100 -0.152 0.000 0.959 195 R CB -0.733 29.358 30.300 -0.348 0.000 0.856 195 R HN 0.185 nan 8.270 nan 0.000 0.437 196 V N 0.931 120.818 119.914 -0.044 0.000 2.261 196 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 196 V C 2.393 178.444 176.094 -0.071 0.000 1.047 196 V CA 2.053 64.326 62.300 -0.044 0.000 1.015 196 V CB -0.703 31.107 31.823 -0.021 0.000 0.642 196 V HN 0.446 nan 8.190 nan 0.000 0.446 197 A N -1.408 121.355 122.820 -0.094 0.000 2.015 197 A HA -0.117 4.203 4.320 -0.001 0.000 0.219 197 A C 1.938 179.247 177.584 -0.458 0.000 1.163 197 A CA 1.552 53.425 52.037 -0.274 0.000 0.646 197 A CB -0.566 18.241 19.000 -0.322 0.000 0.806 197 A HN 0.529 nan 8.150 nan 0.000 0.448 198 F N 0.262 120.132 119.950 -0.134 0.000 2.746 198 F HA 0.093 4.620 4.527 -0.000 0.000 0.297 198 F C 1.664 177.437 175.800 -0.045 0.000 1.113 198 F CA 0.540 58.473 58.000 -0.112 0.000 1.367 198 F CB 0.264 39.211 39.000 -0.088 0.000 1.111 198 F HN 0.227 nan 8.300 nan 0.000 0.590 199 S N -0.859 114.885 115.700 0.073 0.000 2.694 199 S HA 0.825 5.295 4.470 -0.001 0.000 0.278 199 S C 0.148 174.746 174.600 -0.003 0.000 1.152 199 S CA -0.189 58.042 58.200 0.051 0.000 1.010 199 S CB 1.421 64.619 63.200 -0.003 0.000 1.104 199 S HN 0.112 nan 8.310 nan 0.000 0.547 200 G N -1.351 107.369 108.800 -0.133 0.000 2.694 200 G HA2 0.799 4.759 3.960 -0.001 0.000 0.290 200 G HA3 0.799 4.759 3.960 -0.001 0.000 0.290 200 G C -1.423 173.143 174.900 -0.557 0.000 1.386 200 G CA -0.598 44.366 45.100 -0.227 0.000 0.872 200 G HN 1.424 nan 8.290 nan 0.000 0.475 201 A N -0.391 122.304 122.820 -0.210 0.000 2.577 201 A HA 0.770 5.090 4.320 -0.001 0.000 0.297 201 A C -0.244 177.467 177.584 0.212 0.000 1.060 201 A CA -0.430 51.558 52.037 -0.081 0.000 0.697 201 A CB 1.154 20.118 19.000 -0.060 0.000 1.281 201 A HN 0.874 nan 8.150 nan 0.000 0.402 202 T N 0.936 115.624 114.554 0.224 0.000 2.849 202 T HA 0.683 5.033 4.350 -0.001 0.000 0.284 202 T C 0.185 175.077 174.700 0.320 0.000 1.004 202 T CA 0.706 62.977 62.100 0.284 0.000 1.021 202 T CB 1.165 70.157 68.868 0.206 0.000 1.013 202 T HN 1.945 nan 8.240 nan 0.000 0.527 203 A N 0.782 123.788 122.820 0.311 0.000 2.485 203 A HA 0.527 4.847 4.320 -0.001 0.000 0.285 203 A C -0.709 176.976 177.584 0.169 0.000 1.045 203 A CA -0.658 51.499 52.037 0.200 0.000 0.792 203 A CB 0.742 20.040 19.000 0.497 0.000 1.307 203 A HN 0.901 nan 8.150 nan 0.000 0.406 204 C N 4.085 123.318 119.300 -0.111 0.000 2.335 204 C HA 0.728 5.188 4.460 -0.001 0.000 0.318 204 C C -0.679 174.297 174.990 -0.022 0.000 1.150 204 C CA -0.145 58.872 59.018 -0.002 0.000 1.466 204 C CB -0.802 26.921 27.740 -0.029 0.000 2.024 204 C HN 0.749 nan 8.230 nan 0.000 0.429 205 V N 5.331 125.342 119.914 0.162 0.000 2.628 205 V HA 0.855 4.974 4.120 -0.001 0.000 0.306 205 V C 0.423 176.599 176.094 0.136 0.000 1.045 205 V CA -0.310 62.101 62.300 0.186 0.000 0.905 205 V CB 1.703 33.768 31.823 0.403 0.000 0.997 205 V HN 1.018 nan 8.190 nan 0.000 0.436 206 A N 2.725 125.588 122.820 0.073 0.000 2.331 206 A HA 0.674 4.993 4.320 -0.001 0.000 0.320 206 A C -0.752 176.876 177.584 0.074 0.000 1.138 206 A CA -0.501 51.584 52.037 0.081 0.000 0.790 206 A CB 0.776 19.808 19.000 0.053 0.000 1.206 206 A HN 0.961 nan 8.150 nan 0.000 0.470 207 H N 2.638 121.738 119.070 0.049 0.000 2.511 207 H HA 0.576 5.132 4.556 -0.001 0.000 0.328 207 H C -1.838 173.544 175.328 0.089 0.000 1.044 207 H CA -0.356 55.710 56.048 0.031 0.000 1.212 207 H CB 1.418 31.210 29.762 0.051 0.000 1.428 207 H HN 0.338 nan 8.280 nan 0.000 0.483 208 V N 6.438 126.128 119.914 -0.373 0.000 2.350 208 V HA 0.125 4.245 4.120 -0.001 0.000 0.285 208 V C -0.176 175.706 176.094 -0.353 0.000 1.014 208 V CA -0.660 61.505 62.300 -0.224 0.000 0.831 208 V CB 1.480 33.301 31.823 -0.003 0.000 1.000 208 V HN 0.768 nan 8.190 nan 0.000 0.433 209 D N 3.986 124.241 120.400 -0.242 0.000 2.454 209 D HA 0.511 5.151 4.640 -0.001 0.000 0.247 209 D C 0.745 176.977 176.300 -0.114 0.000 1.129 209 D CA 1.023 54.942 54.000 -0.135 0.000 0.877 209 D CB 1.832 42.645 40.800 0.021 0.000 1.082 209 D HN 0.730 nan 8.370 nan 0.000 0.537 210 G N 2.098 110.786 108.800 -0.187 0.000 2.596 210 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.304 210 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.304 210 G C 1.047 175.671 174.900 -0.459 0.000 1.189 210 G CA 0.293 45.114 45.100 -0.464 0.000 0.986 210 G HN 0.463 nan 8.290 nan 0.000 0.548 211 V N 2.712 122.342 119.914 -0.473 0.000 3.541 211 V HA 0.160 4.279 4.120 -0.001 0.000 0.267 211 V C 0.446 176.448 176.094 -0.154 0.000 1.213 211 V CA 1.366 63.481 62.300 -0.309 0.000 1.149 211 V CB -0.150 31.541 31.823 -0.219 0.000 0.822 211 V HN 0.532 nan 8.190 nan 0.000 0.462 212 D N 1.278 121.651 120.400 -0.045 0.000 2.313 212 D HA 0.287 4.926 4.640 -0.001 0.000 0.239 212 D C -0.472 175.871 176.300 0.072 0.000 1.142 212 D CA 0.101 54.193 54.000 0.152 0.000 0.847 212 D CB 2.238 43.185 40.800 0.245 0.000 1.082 212 D HN 0.166 nan 8.370 nan 0.000 0.480 213 L N 3.944 125.137 121.223 -0.051 0.000 2.305 213 L HA 0.270 4.610 4.340 -0.001 0.000 0.284 213 L C -0.884 175.950 176.870 -0.060 0.000 1.013 213 L CA -0.571 54.239 54.840 -0.049 0.000 0.819 213 L CB 1.088 43.085 42.059 -0.105 0.000 1.227 213 L HN 0.353 nan 8.230 nan 0.000 0.417 214 H N 4.091 123.275 119.070 0.190 0.000 2.495 214 H HA 0.449 5.005 4.556 -0.001 0.000 0.348 214 H C -1.023 174.378 175.328 0.121 0.000 1.113 214 H CA -0.484 55.681 56.048 0.196 0.000 1.195 214 H CB 2.676 32.575 29.762 0.227 0.000 1.521 214 H HN 0.289 nan 8.280 nan 0.000 0.509 215 V N 2.329 122.361 119.914 0.196 0.000 2.444 215 V HA 0.442 4.561 4.120 -0.001 0.000 0.294 215 V C -0.153 175.987 176.094 0.078 0.000 1.022 215 V CA -0.780 61.588 62.300 0.114 0.000 0.850 215 V CB 1.483 33.333 31.823 0.045 0.000 0.992 215 V HN 0.887 nan 8.190 nan 0.000 0.426 216 A N 4.341 127.195 122.820 0.057 0.000 2.258 216 A HA 0.760 5.079 4.320 -0.001 0.000 0.316 216 A C -0.371 177.200 177.584 -0.022 0.000 1.279 216 A CA -0.442 51.535 52.037 -0.100 0.000 0.876 216 A CB 0.418 19.220 19.000 -0.331 0.000 1.170 216 A HN 0.803 nan 8.150 nan 0.000 0.520 217 N N 1.050 119.745 118.700 -0.008 0.000 2.321 217 N HA 0.641 5.381 4.740 -0.001 0.000 0.299 217 N C -1.198 174.468 175.510 0.259 0.000 1.048 217 N CA -0.099 53.020 53.050 0.115 0.000 0.836 217 N CB 1.706 40.205 38.487 0.019 0.000 1.269 217 N HN 0.316 nan 8.380 nan 0.000 0.486 218 T N 1.851 116.614 114.554 0.349 0.000 3.008 218 T HA 0.712 5.062 4.350 -0.001 0.000 0.328 218 T C -0.076 174.854 174.700 0.383 0.000 1.020 218 T CA -0.073 62.284 62.100 0.427 0.000 1.043 218 T CB 0.427 69.599 68.868 0.506 0.000 1.010 218 T HN 0.926 nan 8.240 nan 0.000 0.466 219 G N 3.446 112.530 108.800 0.473 0.000 2.342 219 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.220 219 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.220 219 G C -0.629 174.279 174.900 0.014 0.000 1.243 219 G CA -0.025 45.218 45.100 0.239 0.000 1.083 219 G HN 0.643 nan 8.290 nan 0.000 0.500 220 D N -0.223 120.193 120.400 0.026 0.000 2.368 220 D HA 0.411 5.050 4.640 -0.001 0.000 0.218 220 D C 1.110 177.408 176.300 -0.003 0.000 1.112 220 D CA 0.648 54.622 54.000 -0.044 0.000 0.834 220 D CB 0.313 41.103 40.800 -0.017 0.000 0.953 220 D HN 0.463 nan 8.370 nan 0.000 0.505 221 S N 0.103 115.822 115.700 0.032 0.000 2.634 221 S HA 0.506 4.975 4.470 -0.001 0.000 0.261 221 S C 0.127 174.722 174.600 -0.007 0.000 1.271 221 S CA -0.680 57.578 58.200 0.096 0.000 0.985 221 S CB 1.399 64.649 63.200 0.084 0.000 0.968 221 S HN 0.302 nan 8.310 nan 0.000 0.568 222 R N -0.625 119.926 120.500 0.085 0.000 2.663 222 R HA 0.583 4.922 4.340 -0.001 0.000 0.267 222 R C -2.088 174.197 176.300 -0.026 0.000 1.038 222 R CA -0.625 55.353 56.100 -0.203 0.000 0.886 222 R CB 1.328 31.137 30.300 -0.818 0.000 1.249 222 R HN 0.706 nan 8.270 nan 0.000 0.463 223 A N 3.090 125.835 122.820 -0.126 0.000 2.318 223 A HA 0.732 5.052 4.320 -0.001 0.000 0.324 223 A C -1.102 176.411 177.584 -0.118 0.000 1.170 223 A CA -0.560 51.457 52.037 -0.034 0.000 0.810 223 A CB 1.387 20.370 19.000 -0.029 0.000 1.198 223 A HN 0.625 nan 8.150 nan 0.000 0.484 224 M N 2.300 121.892 119.600 -0.012 0.000 2.327 224 M HA 0.526 5.006 4.480 -0.001 0.000 0.298 224 M C -1.462 174.801 176.300 -0.062 0.000 1.065 224 M CA -0.522 54.742 55.300 -0.060 0.000 0.916 224 M CB 1.882 34.506 32.600 0.040 0.000 1.630 224 M HN 0.663 nan 8.290 nan 0.000 0.442 225 L N 3.687 124.815 121.223 -0.158 0.000 2.292 225 L HA 0.826 5.165 4.340 -0.001 0.000 0.284 225 L C 0.025 176.684 176.870 -0.351 0.000 1.065 225 L CA 0.221 54.919 54.840 -0.236 0.000 0.806 225 L CB 1.449 43.326 42.059 -0.305 0.000 1.175 225 L HN 0.793 nan 8.230 nan 0.000 0.431 226 G N 5.124 113.470 108.800 -0.757 0.000 2.356 226 G HA2 0.531 4.490 3.960 -0.001 0.000 0.312 226 G HA3 0.531 4.490 3.960 -0.001 0.000 0.312 226 G C -1.149 173.575 174.900 -0.293 0.000 1.096 226 G CA -0.322 44.156 45.100 -1.037 0.000 0.950 226 G HN 0.482 nan 8.290 nan 0.000 0.428 227 V N 2.949 122.885 119.914 0.037 0.000 2.417 227 V HA 0.352 4.472 4.120 -0.001 0.000 0.291 227 V C 0.096 176.200 176.094 0.018 0.000 1.024 227 V CA -0.752 61.579 62.300 0.052 0.000 0.861 227 V CB 1.591 33.408 31.823 -0.011 0.000 0.985 227 V HN 0.792 nan 8.190 nan 0.000 0.436 228 Q N 2.794 122.436 119.800 -0.264 0.000 2.278 228 Q HA 0.407 4.746 4.340 -0.001 0.000 0.257 228 Q C -0.291 175.481 176.000 -0.380 0.000 0.928 228 Q CA -0.476 54.886 55.803 -0.734 0.000 0.932 228 Q CB 1.502 29.552 28.738 -1.148 0.000 1.221 228 Q HN 0.780 nan 8.270 nan 0.000 0.434 229 E N 1.141 121.147 120.200 -0.323 0.000 2.391 229 E HA -0.089 4.260 4.350 -0.001 0.000 0.255 229 E C 0.832 177.330 176.600 -0.171 0.000 1.187 229 E CA 0.198 56.489 56.400 -0.182 0.000 0.941 229 E CB 0.660 30.285 29.700 -0.124 0.000 1.010 229 E HN 0.677 nan 8.360 nan 0.000 0.458 230 E N 1.165 121.300 120.200 -0.108 0.000 2.265 230 E HA -0.241 4.109 4.350 -0.001 0.000 0.196 230 E C 0.500 177.050 176.600 -0.083 0.000 0.996 230 E CA 1.446 57.795 56.400 -0.084 0.000 0.832 230 E CB -0.020 29.647 29.700 -0.055 0.000 0.756 230 E HN 0.543 nan 8.360 nan 0.000 0.491 231 D N -0.269 120.079 120.400 -0.087 0.000 2.348 231 D HA 0.066 4.706 4.640 -0.001 0.000 0.211 231 D C 1.479 177.723 176.300 -0.093 0.000 0.998 231 D CA 0.891 54.849 54.000 -0.070 0.000 0.873 231 D CB 0.407 41.178 40.800 -0.049 0.000 0.925 231 D HN 0.376 nan 8.370 nan 0.000 0.524 232 G N 0.239 108.941 108.800 -0.163 0.000 2.213 232 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.226 232 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.226 232 G C 0.435 175.161 174.900 -0.291 0.000 0.992 232 G CA 0.283 45.254 45.100 -0.215 0.000 0.632 232 G HN 0.776 nan 8.290 nan 0.000 0.511 233 S N -0.662 114.921 115.700 -0.194 0.000 2.600 233 S HA 0.579 5.049 4.470 -0.001 0.000 0.265 233 S C -0.182 174.284 174.600 -0.223 0.000 1.325 233 S CA -0.112 58.027 58.200 -0.103 0.000 1.002 233 S CB 1.047 64.241 63.200 -0.010 0.000 0.921 233 S HN 0.477 nan 8.310 nan 0.000 0.554 234 W N 0.494 121.830 121.300 0.059 0.000 2.606 234 W HA 0.610 5.270 4.660 -0.000 0.000 0.332 234 W C 0.341 176.890 176.519 0.050 0.000 1.052 234 W CA -0.460 56.926 57.345 0.069 0.000 1.223 234 W CB 1.899 31.429 29.460 0.117 0.000 1.383 234 W HN 0.762 nan 8.180 nan 0.000 0.524 235 S N 2.098 117.963 115.700 0.275 0.000 2.500 235 S HA 0.854 5.323 4.470 -0.001 0.000 0.301 235 S C -0.891 173.785 174.600 0.128 0.000 1.092 235 S CA -0.621 57.671 58.200 0.154 0.000 1.030 235 S CB 0.884 64.121 63.200 0.062 0.000 1.031 235 S HN 0.578 nan 8.310 nan 0.000 0.483 236 A N 3.171 126.040 122.820 0.081 0.000 2.304 236 A HA 0.739 5.058 4.320 -0.001 0.000 0.323 236 A C -0.254 177.308 177.584 -0.036 0.000 1.195 236 A CA -0.663 51.383 52.037 0.014 0.000 0.826 236 A CB 0.992 20.007 19.000 0.026 0.000 1.184 236 A HN 1.617 nan 8.150 nan 0.000 0.496 237 V N 1.763 121.624 119.914 -0.088 0.000 2.487 237 V HA 0.709 4.829 4.120 -0.001 0.000 0.298 237 V C -0.086 175.919 176.094 -0.148 0.000 1.028 237 V CA -0.282 61.955 62.300 -0.105 0.000 0.860 237 V CB 1.246 33.009 31.823 -0.101 0.000 0.991 237 V HN 0.812 nan 8.190 nan 0.000 0.427 238 T N 7.172 121.639 114.554 -0.146 0.000 2.901 238 T HA 0.415 4.764 4.350 -0.001 0.000 0.301 238 T C 0.861 175.464 174.700 -0.163 0.000 1.012 238 T CA 0.046 62.036 62.100 -0.183 0.000 1.135 238 T CB 0.934 69.688 68.868 -0.189 0.000 0.936 238 T HN 0.707 nan 8.240 nan 0.000 0.539 239 L N 1.985 123.105 121.223 -0.172 0.000 2.906 239 L HA 0.270 4.610 4.340 -0.001 0.000 0.255 239 L C 0.696 177.498 176.870 -0.112 0.000 1.166 239 L CA -0.301 54.458 54.840 -0.135 0.000 0.977 239 L CB 0.176 42.153 42.059 -0.137 0.000 1.313 239 L HN 0.731 nan 8.230 nan 0.000 0.549 240 S N -1.477 114.131 115.700 -0.155 0.000 2.537 240 S HA 0.492 4.962 4.470 -0.001 0.000 0.270 240 S C -1.171 173.302 174.600 -0.212 0.000 1.142 240 S CA -0.985 57.120 58.200 -0.158 0.000 0.870 240 S CB 1.854 64.953 63.200 -0.169 0.000 1.112 240 S HN -0.007 nan 8.310 nan 0.000 0.466 241 N N 1.978 120.558 118.700 -0.199 0.000 2.421 241 N HA 0.357 5.096 4.740 -0.001 0.000 0.285 241 N C -1.421 173.842 175.510 -0.412 0.000 1.027 241 N CA -0.388 52.529 53.050 -0.220 0.000 0.918 241 N CB 0.996 39.432 38.487 -0.085 0.000 1.152 241 N HN 0.644 nan 8.380 nan 0.000 0.485 242 D N 0.924 121.109 120.400 -0.358 0.000 2.425 242 D HA 0.017 4.657 4.640 -0.001 0.000 0.247 242 D C 0.052 176.153 176.300 -0.332 0.000 1.147 242 D CA 0.509 54.276 54.000 -0.389 0.000 0.879 242 D CB 0.353 40.989 40.800 -0.273 0.000 1.179 242 D HN 0.284 nan 8.370 nan 0.000 0.456 243 H N 3.153 122.154 119.070 -0.115 0.000 2.821 243 H HA 0.281 4.836 4.556 -0.001 0.000 0.262 243 H C 0.303 175.436 175.328 -0.326 0.000 1.402 243 H CA -0.410 55.561 56.048 -0.128 0.000 1.293 243 H CB -0.554 29.207 29.762 -0.002 0.000 1.533 243 H HN 0.523 nan 8.280 nan 0.000 0.528 244 N N -1.296 117.107 118.700 -0.495 0.000 3.364 244 N HA 0.354 5.094 4.740 -0.001 0.000 0.294 244 N C 0.561 175.439 175.510 -1.053 0.000 1.562 244 N CA -0.704 51.721 53.050 -1.042 0.000 0.862 244 N CB 0.751 38.941 38.487 -0.496 0.000 1.691 244 N HN 0.070 nan 8.380 nan 0.000 0.572 245 A N -0.303 122.006 122.820 -0.852 0.000 2.024 245 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 245 A C 1.694 179.179 177.584 -0.165 0.000 1.164 245 A CA 1.346 53.200 52.037 -0.304 0.000 0.643 245 A CB -0.657 18.305 19.000 -0.063 0.000 0.806 245 A HN 0.602 nan 8.150 nan 0.000 0.451 246 Q N -0.164 119.525 119.800 -0.185 0.000 2.482 246 Q HA -0.014 4.325 4.340 -0.001 0.000 0.209 246 Q C 0.007 175.949 176.000 -0.097 0.000 0.961 246 Q CA 0.234 55.972 55.803 -0.109 0.000 0.945 246 Q CB -0.256 28.421 28.738 -0.102 0.000 1.012 246 Q HN 0.642 nan 8.270 nan 0.000 0.515 247 N N 1.428 120.058 118.700 -0.117 0.000 2.707 247 N HA 0.018 4.758 4.740 -0.001 0.000 0.235 247 N C 0.535 176.040 175.510 -0.008 0.000 1.028 247 N CA 0.018 53.031 53.050 -0.063 0.000 0.906 247 N CB 0.752 39.200 38.487 -0.064 0.000 1.131 247 N HN -0.095 nan 8.380 nan 0.000 0.509 248 E N 2.045 122.246 120.200 0.003 0.000 2.160 248 E HA -0.158 4.192 4.350 -0.001 0.000 0.195 248 E C 1.048 177.671 176.600 0.038 0.000 0.991 248 E CA 0.988 57.404 56.400 0.026 0.000 0.810 248 E CB 0.265 29.974 29.700 0.016 0.000 0.742 248 E HN 0.594 nan 8.360 nan 0.000 0.466 249 R N 0.355 120.873 120.500 0.031 0.000 2.148 249 R HA -0.105 4.234 4.340 -0.001 0.000 0.223 249 R C 2.141 178.474 176.300 0.055 0.000 1.088 249 R CA 0.900 57.020 56.100 0.035 0.000 0.985 249 R CB -0.013 30.302 30.300 0.025 0.000 0.880 249 R HN -0.010 nan 8.270 nan 0.000 0.451 250 E N 0.259 120.506 120.200 0.079 0.000 2.158 250 E HA -0.069 4.281 4.350 -0.001 0.000 0.191 250 E C 1.395 178.114 176.600 0.199 0.000 0.982 250 E CA 0.717 57.196 56.400 0.132 0.000 0.823 250 E CB 0.115 29.908 29.700 0.155 0.000 0.766 250 E HN 0.050 nan 8.360 nan 0.000 0.468 251 L N 0.978 122.310 121.223 0.182 0.000 2.156 251 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 251 L C 2.291 179.230 176.870 0.114 0.000 1.095 251 L CA 1.597 56.556 54.840 0.197 0.000 0.770 251 L CB -0.867 41.289 42.059 0.162 0.000 0.914 251 L HN 0.294 nan 8.230 nan 0.000 0.439 252 Q N -0.807 119.040 119.800 0.079 0.000 2.187 252 Q HA -0.179 4.161 4.340 -0.001 0.000 0.199 252 Q C 2.240 178.264 176.000 0.041 0.000 0.957 252 Q CA 0.914 56.747 55.803 0.051 0.000 0.857 252 Q CB -0.480 28.279 28.738 0.034 0.000 0.929 252 Q HN 0.421 nan 8.270 nan 0.000 0.453 253 R N 0.542 121.069 120.500 0.044 0.000 2.075 253 R HA -0.116 4.224 4.340 -0.001 0.000 0.232 253 R C 1.985 178.299 176.300 0.022 0.000 1.126 253 R CA 0.889 57.002 56.100 0.020 0.000 0.963 253 R CB -0.083 30.226 30.300 0.015 0.000 0.858 253 R HN 0.255 nan 8.270 nan 0.000 0.435 254 L N 1.563 122.823 121.223 0.061 0.000 2.017 254 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 254 L C 2.264 179.205 176.870 0.118 0.000 1.073 254 L CA 1.778 56.666 54.840 0.080 0.000 0.745 254 L CB -0.351 41.730 42.059 0.036 0.000 0.894 254 L HN 0.066 nan 8.230 nan 0.000 0.432 255 K N -0.945 119.504 120.400 0.082 0.000 2.209 255 K HA -0.115 4.205 4.320 -0.001 0.000 0.204 255 K C 1.944 178.577 176.600 0.055 0.000 1.048 255 K CA 0.929 57.263 56.287 0.078 0.000 0.940 255 K CB -0.371 32.161 32.500 0.053 0.000 0.729 255 K HN 0.205 nan 8.250 nan 0.000 0.451 256 L N 1.371 122.605 121.223 0.018 0.000 2.270 256 L HA -0.018 4.322 4.340 -0.001 0.000 0.210 256 L C 1.632 178.451 176.870 -0.086 0.000 1.104 256 L CA 1.428 56.255 54.840 -0.022 0.000 0.804 256 L CB -0.317 41.728 42.059 -0.023 0.000 0.937 256 L HN 0.127 nan 8.230 nan 0.000 0.450 257 E N -1.609 118.500 120.200 -0.151 0.000 2.511 257 E HA -0.007 4.342 4.350 -0.001 0.000 0.196 257 E C -0.195 175.960 176.600 -0.742 0.000 1.066 257 E CA 0.214 56.376 56.400 -0.397 0.000 0.871 257 E CB 0.166 29.605 29.700 -0.435 0.000 0.863 257 E HN 0.458 nan 8.360 nan 0.000 0.520 258 H N -1.117 117.908 119.070 -0.075 0.000 2.928 258 H HA 0.294 4.849 4.556 -0.001 0.000 0.371 258 H C -2.441 172.868 175.328 -0.031 0.000 1.186 258 H CA -2.363 53.641 56.048 -0.074 0.000 1.134 258 H CB 1.108 30.838 29.762 -0.054 0.000 1.824 258 H HN -0.148 nan 8.280 nan 0.000 0.554 259 P HA -0.046 nan 4.420 nan 0.000 0.269 259 P C 0.949 178.287 177.300 0.062 0.000 1.211 259 P CA 0.154 63.293 63.100 0.064 0.000 0.781 259 P CB 1.343 33.086 31.700 0.070 0.000 0.877 260 K N 2.694 123.118 120.400 0.040 0.000 2.097 260 K HA -0.230 4.090 4.320 -0.001 0.000 0.206 260 K C 1.460 178.078 176.600 0.030 0.000 1.049 260 K CA 2.150 58.457 56.287 0.032 0.000 0.933 260 K CB -0.482 32.031 32.500 0.023 0.000 0.717 260 K HN 0.497 nan 8.250 nan 0.000 0.442 261 N N 0.456 119.176 118.700 0.033 0.000 2.348 261 N HA -0.191 4.549 4.740 -0.001 0.000 0.185 261 N C 0.675 176.187 175.510 0.004 0.000 1.019 261 N CA 1.576 54.642 53.050 0.026 0.000 0.880 261 N CB -0.153 38.361 38.487 0.045 0.000 0.965 261 N HN 0.416 nan 8.380 nan 0.000 0.437 262 E N -0.475 119.730 120.200 0.008 0.000 2.489 262 E HA 0.179 4.529 4.350 -0.001 0.000 0.193 262 E C 1.647 178.238 176.600 -0.014 0.000 1.057 262 E CA 0.257 56.638 56.400 -0.033 0.000 0.866 262 E CB 0.055 29.751 29.700 -0.006 0.000 0.916 262 E HN 0.560 nan 8.360 nan 0.000 0.500 263 A N 2.660 125.486 122.820 0.010 0.000 1.986 263 A HA -0.252 4.067 4.320 -0.001 0.000 0.220 263 A C 2.034 179.616 177.584 -0.003 0.000 1.171 263 A CA 1.535 53.581 52.037 0.014 0.000 0.640 263 A CB -0.435 18.577 19.000 0.020 0.000 0.811 263 A HN 0.215 nan 8.150 nan 0.000 0.451 264 K N -0.087 120.304 120.400 -0.015 0.000 2.525 264 K HA 0.062 4.382 4.320 -0.001 0.000 0.192 264 K C 0.973 177.548 176.600 -0.042 0.000 1.029 264 K CA 1.181 57.456 56.287 -0.020 0.000 1.029 264 K CB -0.048 32.442 32.500 -0.016 0.000 0.814 264 K HN 0.506 nan 8.250 nan 0.000 0.503 265 S N -1.167 114.492 115.700 -0.069 0.000 2.648 265 S HA 0.076 4.546 4.470 -0.001 0.000 0.270 265 S C 1.650 176.172 174.600 -0.130 0.000 1.080 265 S CA -0.207 57.931 58.200 -0.103 0.000 1.159 265 S CB -0.095 63.011 63.200 -0.156 0.000 1.091 265 S HN 0.018 nan 8.310 nan 0.000 0.605 266 V N 2.000 121.847 119.914 -0.111 0.000 2.282 266 V HA -0.037 4.083 4.120 -0.001 0.000 0.249 266 V C 0.941 176.930 176.094 -0.175 0.000 1.057 266 V CA 1.417 63.638 62.300 -0.131 0.000 1.032 266 V CB -0.545 31.255 31.823 -0.039 0.000 0.645 266 V HN 0.535 nan 8.190 nan 0.000 0.447 267 V N 0.210 120.053 119.914 -0.119 0.000 2.376 267 V HA 0.299 4.418 4.120 -0.001 0.000 0.287 267 V C 0.506 176.582 176.094 -0.029 0.000 1.015 267 V CA -0.583 61.657 62.300 -0.100 0.000 0.834 267 V CB 1.431 33.238 31.823 -0.027 0.000 1.001 267 V HN 0.251 nan 8.190 nan 0.000 0.428 268 K N 2.067 122.451 120.400 -0.026 0.000 2.218 268 K HA 0.234 4.554 4.320 -0.001 0.000 0.222 268 K C 0.545 177.155 176.600 0.017 0.000 1.030 268 K CA 0.045 56.327 56.287 -0.008 0.000 0.946 268 K CB 0.130 32.619 32.500 -0.019 0.000 1.000 268 K HN 0.534 nan 8.250 nan 0.000 0.461 269 Q N 1.276 121.089 119.800 0.022 0.000 2.544 269 Q HA -0.002 4.338 4.340 -0.001 0.000 0.194 269 Q C 0.214 176.252 176.000 0.063 0.000 1.104 269 Q CA 0.441 56.265 55.803 0.035 0.000 1.131 269 Q CB 0.201 28.957 28.738 0.029 0.000 1.210 269 Q HN 0.157 nan 8.270 nan 0.000 0.639 270 D N 0.432 120.876 120.400 0.073 0.000 2.408 270 D HA -0.068 4.571 4.640 -0.001 0.000 0.248 270 D C -0.316 176.110 176.300 0.211 0.000 1.122 270 D CA 0.688 54.760 54.000 0.121 0.000 0.964 270 D CB -0.092 40.748 40.800 0.067 0.000 0.884 270 D HN 0.161 nan 8.370 nan 0.000 0.524 271 R N 0.244 120.838 120.500 0.157 0.000 2.668 271 R HA 0.351 4.691 4.340 -0.001 0.000 0.279 271 R C -0.056 176.248 176.300 0.008 0.000 0.976 271 R CA -1.056 55.143 56.100 0.164 0.000 0.978 271 R CB 1.875 32.213 30.300 0.063 0.000 1.133 271 R HN 0.019 nan 8.270 nan 0.000 0.484 272 L N 4.701 125.830 121.223 -0.157 0.000 2.500 272 L HA 0.011 4.351 4.340 -0.001 0.000 0.272 272 L C 0.517 177.240 176.870 -0.244 0.000 1.149 272 L CA 0.857 55.422 54.840 -0.458 0.000 0.897 272 L CB -0.303 41.372 42.059 -0.640 0.000 1.178 272 L HN 0.815 nan 8.230 nan 0.000 0.473 273 L N 5.499 126.606 121.223 -0.193 0.000 4.179 273 L HA -0.303 4.036 4.340 -0.001 0.000 0.418 273 L C 1.175 178.032 176.870 -0.021 0.000 1.168 273 L CA 0.698 55.480 54.840 -0.096 0.000 0.972 273 L CB -1.794 40.277 42.059 0.021 0.000 2.005 273 L HN 1.067 nan 8.230 nan 0.000 0.935 274 G N -1.322 107.460 108.800 -0.031 0.000 2.143 274 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.249 274 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.249 274 G C 0.538 175.455 174.900 0.028 0.000 0.981 274 G CA 0.530 45.632 45.100 0.003 0.000 0.665 274 G HN 0.417 nan 8.290 nan 0.000 0.528 275 L N -1.565 119.677 121.223 0.032 0.000 2.664 275 L HA 0.474 4.813 4.340 -0.001 0.000 0.198 275 L C 1.341 178.200 176.870 -0.018 0.000 1.057 275 L CA -0.209 54.668 54.840 0.061 0.000 0.871 275 L CB 0.046 42.243 42.059 0.230 0.000 1.364 275 L HN 0.101 nan 8.230 nan 0.000 0.483 276 L N 1.102 122.233 121.223 -0.153 0.000 2.305 276 L HA 0.174 4.513 4.340 -0.001 0.000 0.281 276 L C 0.936 177.799 176.870 -0.011 0.000 1.085 276 L CA 0.054 54.772 54.840 -0.204 0.000 0.813 276 L CB 1.935 43.712 42.059 -0.470 0.000 1.157 276 L HN 0.319 nan 8.230 nan 0.000 0.436 277 M N 4.584 124.183 119.600 -0.001 0.000 2.081 277 M HA 0.068 4.548 4.480 -0.001 0.000 0.261 277 M C -1.552 174.817 176.300 0.115 0.000 1.075 277 M CA 0.844 56.183 55.300 0.065 0.000 1.133 277 M CB -0.316 32.287 32.600 0.004 0.000 1.330 277 M HN 0.324 nan 8.290 nan 0.000 0.414 278 P HA -0.012 nan 4.420 nan 0.000 0.271 278 P C -0.573 176.938 177.300 0.351 0.000 1.216 278 P CA 0.427 63.609 63.100 0.136 0.000 0.771 278 P CB 0.070 31.850 31.700 0.132 0.000 0.864 279 F N 1.803 121.769 119.950 0.026 0.000 2.693 279 F HA 0.283 4.809 4.527 -0.001 0.000 0.303 279 F C 1.075 176.869 175.800 -0.010 0.000 1.097 279 F CA 0.213 58.208 58.000 -0.007 0.000 1.330 279 F CB -0.067 38.941 39.000 0.014 0.000 1.067 279 F HN 0.181 nan 8.300 nan 0.000 0.565 280 R N -0.372 120.256 120.500 0.212 0.000 2.604 280 R HA 0.778 5.118 4.340 -0.001 0.000 0.270 280 R C -1.260 175.134 176.300 0.155 0.000 1.052 280 R CA -0.752 55.417 56.100 0.115 0.000 0.902 280 R CB 2.405 32.734 30.300 0.047 0.000 1.233 280 R HN -0.055 nan 8.270 nan 0.000 0.455 281 A N 1.922 124.801 122.820 0.099 0.000 2.569 281 A HA 0.543 4.862 4.320 -0.001 0.000 0.292 281 A C -1.799 175.824 177.584 0.065 0.000 1.032 281 A CA -0.808 51.334 52.037 0.175 0.000 0.669 281 A CB 0.572 19.737 19.000 0.276 0.000 1.290 281 A HN 0.433 nan 8.150 nan 0.000 0.422 282 F N 1.046 121.035 119.950 0.066 0.000 2.375 282 F HA 0.551 5.077 4.527 -0.001 0.000 0.313 282 F C 1.747 177.520 175.800 -0.044 0.000 1.176 282 F CA 1.838 59.830 58.000 -0.012 0.000 1.142 282 F CB 0.985 39.945 39.000 -0.067 0.000 1.275 282 F HN 1.675 nan 8.300 nan 0.000 0.544 283 G N 0.734 109.598 108.800 0.108 0.000 2.595 283 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.297 283 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.297 283 G C -0.193 174.659 174.900 -0.079 0.000 1.181 283 G CA 0.014 45.097 45.100 -0.029 0.000 0.963 283 G HN 0.715 nan 8.290 nan 0.000 0.541 284 D N 0.084 120.493 120.400 0.014 0.000 3.172 284 D HA -0.050 4.590 4.640 -0.001 0.000 0.196 284 D C 1.190 177.463 176.300 -0.045 0.000 1.270 284 D CA 1.060 55.118 54.000 0.097 0.000 0.665 284 D CB -0.553 40.410 40.800 0.272 0.000 0.923 284 D HN 0.816 nan 8.370 nan 0.000 0.400 285 V N 0.969 120.641 119.914 -0.404 0.000 3.573 285 V HA -0.107 4.013 4.120 -0.001 0.000 0.270 285 V C 2.157 177.966 176.094 -0.475 0.000 1.221 285 V CA 0.995 62.885 62.300 -0.683 0.000 1.163 285 V CB -0.098 30.819 31.823 -1.511 0.000 0.847 285 V HN 0.337 nan 8.190 nan 0.000 0.468 286 K N -0.375 119.866 120.400 -0.266 0.000 2.283 286 K HA -0.105 4.215 4.320 -0.001 0.000 0.202 286 K C 1.128 177.490 176.600 -0.397 0.000 1.048 286 K CA 1.538 57.653 56.287 -0.287 0.000 0.948 286 K CB -0.093 32.201 32.500 -0.344 0.000 0.742 286 K HN 0.566 nan 8.250 nan 0.000 0.458 287 F N 0.033 120.010 119.950 0.044 0.000 2.653 287 F HA 0.240 4.767 4.527 -0.001 0.000 0.304 287 F C 1.536 177.542 175.800 0.344 0.000 1.092 287 F CA -0.212 57.947 58.000 0.265 0.000 1.279 287 F CB 0.707 39.799 39.000 0.153 0.000 1.044 287 F HN -0.117 nan 8.300 nan 0.000 0.564 288 K N -1.356 119.248 120.400 0.341 0.000 2.410 288 K HA 0.076 4.396 4.320 -0.001 0.000 0.204 288 K C 0.057 176.887 176.600 0.383 0.000 1.268 288 K CA -0.079 56.369 56.287 0.269 0.000 0.896 288 K CB 0.189 32.739 32.500 0.084 0.000 1.401 288 K HN -0.089 nan 8.250 nan 0.000 0.479 289 W N 3.267 124.660 121.300 0.155 0.000 2.079 289 W HA 0.112 4.772 4.660 -0.001 0.000 0.354 289 W C 1.081 177.725 176.519 0.208 0.000 1.302 289 W CA -1.156 56.262 57.345 0.123 0.000 1.281 289 W CB 0.098 29.596 29.460 0.064 0.000 1.165 289 W HN 0.039 nan 8.180 nan 0.000 0.603 290 S N 1.616 117.530 115.700 0.355 0.000 2.593 290 S HA 0.119 4.589 4.470 -0.001 0.000 0.269 290 S C 1.178 175.953 174.600 0.291 0.000 1.334 290 S CA -0.639 57.722 58.200 0.270 0.000 1.015 290 S CB 0.753 64.025 63.200 0.119 0.000 0.912 290 S HN 0.308 nan 8.310 nan 0.000 0.541 291 I N 1.944 122.675 120.570 0.268 0.000 2.208 291 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 291 I C 2.083 178.278 176.117 0.130 0.000 1.097 291 I CA 1.597 63.012 61.300 0.191 0.000 1.363 291 I CB -1.619 36.475 38.000 0.157 0.000 1.051 291 I HN 0.793 nan 8.210 nan 0.000 0.413 292 D N 0.779 121.236 120.400 0.094 0.000 2.117 292 D HA -0.202 4.438 4.640 -0.001 0.000 0.198 292 D C 2.232 178.555 176.300 0.038 0.000 0.982 292 D CA 0.721 54.752 54.000 0.052 0.000 0.828 292 D CB -0.843 39.972 40.800 0.025 0.000 0.967 292 D HN 0.229 nan 8.370 nan 0.000 0.464 293 L N 0.860 122.092 121.223 0.015 0.000 2.042 293 L HA -0.207 4.133 4.340 -0.001 0.000 0.210 293 L C 2.342 179.250 176.870 0.063 0.000 1.076 293 L CA 1.692 56.476 54.840 -0.093 0.000 0.749 293 L CB -0.804 41.073 42.059 -0.303 0.000 0.893 293 L HN -0.040 nan 8.230 nan 0.000 0.432 294 Q N -0.497 119.468 119.800 0.274 0.000 1.993 294 Q HA -0.248 4.092 4.340 -0.001 0.000 0.202 294 Q C 2.277 178.438 176.000 0.268 0.000 0.984 294 Q CA 2.116 58.184 55.803 0.443 0.000 0.837 294 Q CB -0.204 28.753 28.738 0.366 0.000 0.902 294 Q HN 0.524 nan 8.270 nan 0.000 0.423 295 K N 0.392 120.882 120.400 0.149 0.000 2.020 295 K HA -0.184 4.135 4.320 -0.001 0.000 0.212 295 K C 2.177 178.821 176.600 0.073 0.000 1.050 295 K CA 1.451 57.789 56.287 0.085 0.000 0.929 295 K CB -0.145 32.385 32.500 0.051 0.000 0.714 295 K HN 0.144 nan 8.250 nan 0.000 0.443 296 R N 0.476 121.012 120.500 0.059 0.000 2.080 296 R HA -0.136 4.204 4.340 -0.001 0.000 0.236 296 R C 2.378 178.714 176.300 0.061 0.000 1.137 296 R CA 1.675 57.797 56.100 0.036 0.000 0.943 296 R CB -0.944 29.357 30.300 0.002 0.000 0.846 296 R HN 0.057 nan 8.270 nan 0.000 0.431 297 V N 2.035 122.012 119.914 0.105 0.000 2.332 297 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 297 V C 2.389 178.584 176.094 0.169 0.000 1.055 297 V CA 1.480 63.884 62.300 0.173 0.000 1.038 297 V CB -0.504 31.535 31.823 0.360 0.000 0.651 297 V HN 0.260 nan 8.190 nan 0.000 0.450 298 I N -0.097 120.564 120.570 0.152 0.000 2.530 298 I HA -0.149 4.020 4.170 -0.001 0.000 0.257 298 I C 1.699 177.827 176.117 0.019 0.000 1.179 298 I CA 1.062 62.389 61.300 0.045 0.000 1.440 298 I CB -1.019 36.980 38.000 -0.001 0.000 1.087 298 I HN 0.434 nan 8.210 nan 0.000 0.440 299 E N 2.479 122.697 120.200 0.031 0.000 2.346 299 E HA 0.107 4.456 4.350 -0.001 0.000 0.317 299 E C -0.680 175.927 176.600 0.012 0.000 1.404 299 E CA 0.023 56.430 56.400 0.011 0.000 1.534 299 E CB -0.146 29.559 29.700 0.009 0.000 1.309 299 E HN 0.325 nan 8.360 nan 0.000 0.499 300 S N -0.276 115.430 115.700 0.010 0.000 2.194 300 S HA 0.418 4.887 4.470 -0.001 0.000 0.249 300 S C -0.273 174.329 174.600 0.003 0.000 0.777 300 S CA -0.575 57.629 58.200 0.007 0.000 0.947 300 S CB 0.820 64.037 63.200 0.029 0.000 1.282 300 S HN 0.447 nan 8.310 nan 0.000 0.383 301 G N 2.914 111.687 108.800 -0.046 0.000 3.017 301 G HA2 0.087 4.047 3.960 -0.001 0.000 0.680 301 G HA3 0.087 4.047 3.960 -0.001 0.000 0.680 301 G C -3.090 171.743 174.900 -0.112 0.000 1.179 301 G CA -1.153 43.888 45.100 -0.099 0.000 1.142 301 G HN 0.514 nan 8.290 nan 0.000 0.489 302 P HA 0.244 nan 4.420 nan 0.000 0.266 302 P C -0.177 177.045 177.300 -0.131 0.000 1.419 302 P CA 0.255 63.282 63.100 -0.121 0.000 1.112 302 P CB 0.350 31.983 31.700 -0.112 0.000 1.438 316 P HA -0.184 nan 4.420 nan 0.000 0.229 316 P C -0.085 177.239 177.300 0.039 0.000 0.941 316 P CA 1.065 64.157 63.100 -0.013 0.000 1.063 316 P CB -0.002 31.686 31.700 -0.021 0.000 0.648 317 N N -0.518 118.181 118.700 -0.002 0.000 3.254 317 N HA 0.003 4.742 4.740 -0.001 0.000 0.308 317 N C -0.512 175.038 175.510 0.066 0.000 1.281 317 N CA 0.025 53.077 53.050 0.004 0.000 1.212 317 N CB -0.579 37.775 38.487 -0.222 0.000 1.478 317 N HN 0.259 nan 8.380 nan 0.000 0.548 318 Y N 1.447 121.788 120.300 0.068 0.000 2.530 318 Y HA 0.017 4.567 4.550 -0.000 0.000 0.340 318 Y C 0.868 176.990 175.900 0.369 0.000 1.247 318 Y CA -0.038 58.103 58.100 0.069 0.000 1.727 318 Y CB -0.229 38.240 38.460 0.015 0.000 1.613 318 Y HN 0.297 nan 8.280 nan 0.000 0.464 319 H N -0.082 119.048 119.070 0.101 0.000 2.368 319 H HA 0.105 4.661 4.556 -0.001 0.000 0.311 319 H C 1.137 176.498 175.328 0.054 0.000 1.042 319 H CA 1.392 57.497 56.048 0.095 0.000 1.377 319 H CB 0.002 29.821 29.762 0.096 0.000 1.473 319 H HN 0.351 nan 8.280 nan 0.000 0.593 320 T N -1.207 113.471 114.554 0.207 0.000 3.326 320 T HA 0.245 4.595 4.350 -0.001 0.000 0.274 320 T C -2.134 172.329 174.700 -0.395 0.000 1.608 320 T CA -1.705 60.366 62.100 -0.048 0.000 1.433 320 T CB 0.886 69.789 68.868 0.058 0.000 1.034 320 T HN -0.065 nan 8.240 nan 0.000 0.694 321 P HA -0.224 nan 4.420 nan 0.000 0.235 321 P C -2.047 175.130 177.300 -0.205 0.000 1.024 321 P CA 1.684 64.559 63.100 -0.375 0.000 1.059 321 P CB -1.346 30.269 31.700 -0.142 0.000 0.714 322 P HA 0.002 nan 4.420 nan 0.000 0.268 322 P C -0.270 176.963 177.300 -0.113 0.000 1.282 322 P CA 0.904 63.972 63.100 -0.054 0.000 0.880 322 P CB -0.573 31.096 31.700 -0.052 0.000 0.971 323 Y N 2.651 123.037 120.300 0.143 0.000 2.483 323 Y HA 0.288 4.838 4.550 -0.001 0.000 0.258 323 Y C 0.681 176.638 175.900 0.094 0.000 1.083 323 Y CA -0.198 57.994 58.100 0.154 0.000 1.283 323 Y CB 0.659 39.175 38.460 0.093 0.000 1.178 323 Y HN 0.181 nan 8.280 nan 0.000 0.515 324 L N 0.703 122.061 121.223 0.225 0.000 2.365 324 L HA 0.639 4.979 4.340 -0.001 0.000 0.273 324 L C -0.217 176.679 176.870 0.043 0.000 1.000 324 L CA -0.351 54.548 54.840 0.099 0.000 0.819 324 L CB 1.671 43.781 42.059 0.086 0.000 1.284 324 L HN 0.046 nan 8.230 nan 0.000 0.418 325 T N 1.229 115.779 114.554 -0.007 0.000 2.924 325 T HA 0.777 5.127 4.350 -0.001 0.000 0.291 325 T C 0.247 174.883 174.700 -0.106 0.000 1.045 325 T CA -0.189 61.876 62.100 -0.059 0.000 1.015 325 T CB 1.784 70.609 68.868 -0.071 0.000 1.103 325 T HN 0.729 nan 8.240 nan 0.000 0.496 326 A N -0.071 122.626 122.820 -0.205 0.000 2.390 326 A HA 0.369 4.689 4.320 -0.001 0.000 0.232 326 A C 0.623 178.081 177.584 -0.210 0.000 1.233 326 A CA -0.337 51.474 52.037 -0.377 0.000 0.907 326 A CB -0.454 17.975 19.000 -0.952 0.000 0.967 326 A HN 0.886 nan 8.150 nan 0.000 0.512 327 E N 2.532 122.656 120.200 -0.128 0.000 2.406 327 E HA 0.114 4.464 4.350 -0.001 0.000 0.258 327 E C -2.185 174.353 176.600 -0.104 0.000 1.043 327 E CA -1.649 54.699 56.400 -0.085 0.000 0.929 327 E CB 0.838 30.485 29.700 -0.089 0.000 0.969 327 E HN 0.324 nan 8.360 nan 0.000 0.462 328 P HA 0.073 nan 4.420 nan 0.000 0.276 328 P C -0.909 176.295 177.300 -0.160 0.000 1.252 328 P CA -0.228 62.735 63.100 -0.228 0.000 0.802 328 P CB 0.832 32.078 31.700 -0.755 0.000 1.035 329 E N 0.344 120.516 120.200 -0.047 0.000 2.134 329 E HA 0.366 4.716 4.350 -0.001 0.000 0.278 329 E C -1.002 175.586 176.600 -0.019 0.000 0.959 329 E CA -0.804 55.593 56.400 -0.005 0.000 0.783 329 E CB 1.001 30.772 29.700 0.119 0.000 1.095 329 E HN 0.142 nan 8.360 nan 0.000 0.399 330 V N 3.522 123.423 119.914 -0.021 0.000 2.483 330 V HA 0.424 4.544 4.120 -0.001 0.000 0.295 330 V C 0.195 176.335 176.094 0.077 0.000 1.035 330 V CA -0.724 61.586 62.300 0.017 0.000 0.896 330 V CB 1.536 33.363 31.823 0.006 0.000 0.986 330 V HN 0.818 nan 8.190 nan 0.000 0.447 331 T N 1.422 116.040 114.554 0.105 0.000 2.876 331 T HA 0.675 5.024 4.350 -0.001 0.000 0.289 331 T C -1.139 173.650 174.700 0.149 0.000 1.014 331 T CA -0.639 61.523 62.100 0.104 0.000 0.986 331 T CB 1.742 70.630 68.868 0.033 0.000 1.021 331 T HN 0.558 nan 8.240 nan 0.000 0.458 332 Y N 2.379 122.675 120.300 -0.007 0.000 2.420 332 Y HA 0.642 5.192 4.550 -0.001 0.000 0.334 332 Y C -0.565 175.287 175.900 -0.081 0.000 1.094 332 Y CA -1.170 56.833 58.100 -0.162 0.000 1.126 332 Y CB 1.379 39.717 38.460 -0.203 0.000 1.217 332 Y HN 0.977 nan 8.280 nan 0.000 0.462 333 H N 5.646 123.831 119.070 -1.476 0.000 2.947 333 H HA 0.364 4.920 4.556 -0.001 0.000 0.354 333 H C -1.444 173.131 175.328 -1.255 0.000 1.085 333 H CA -0.881 54.489 56.048 -1.131 0.000 1.253 333 H CB 1.532 30.977 29.762 -0.528 0.000 1.757 333 H HN 0.868 nan 8.280 nan 0.000 0.523 334 R N 5.382 125.109 120.500 -1.288 0.000 2.196 334 R HA 0.313 4.652 4.340 -0.001 0.000 0.340 334 R C -0.359 175.618 176.300 -0.539 0.000 1.043 334 R CA -0.498 55.226 56.100 -0.626 0.000 0.883 334 R CB 0.233 30.366 30.300 -0.278 0.000 1.078 334 R HN 0.481 nan 8.270 nan 0.000 0.462 335 L N 5.022 126.057 121.223 -0.314 0.000 2.490 335 L HA 0.213 4.553 4.340 -0.001 0.000 0.274 335 L C 0.417 177.175 176.870 -0.187 0.000 1.201 335 L CA 0.225 54.912 54.840 -0.255 0.000 0.869 335 L CB 0.280 42.078 42.059 -0.435 0.000 1.123 335 L HN 0.535 nan 8.230 nan 0.000 0.484 336 R N 2.883 123.312 120.500 -0.119 0.000 2.854 336 R HA 0.352 4.692 4.340 -0.001 0.000 0.271 336 R C -1.944 174.339 176.300 -0.029 0.000 0.994 336 R CA -2.473 53.587 56.100 -0.067 0.000 0.945 336 R CB 0.365 30.627 30.300 -0.062 0.000 1.194 336 R HN 0.172 nan 8.270 nan 0.000 0.476 337 P HA -0.231 nan 4.420 nan 0.000 0.218 337 P C 0.518 177.837 177.300 0.031 0.000 1.150 337 P CA 1.651 64.771 63.100 0.032 0.000 0.841 337 P CB 0.324 32.046 31.700 0.037 0.000 0.784 338 Q N -1.128 118.675 119.800 0.005 0.000 2.369 338 Q HA -0.025 4.314 4.340 -0.001 0.000 0.206 338 Q C 0.095 176.105 176.000 0.017 0.000 0.963 338 Q CA 0.690 56.486 55.803 -0.011 0.000 0.894 338 Q CB -0.477 28.242 28.738 -0.032 0.000 0.965 338 Q HN 0.326 nan 8.270 nan 0.000 0.475 339 D N 1.139 121.563 120.400 0.039 0.000 2.365 339 D HA 0.060 4.699 4.640 -0.001 0.000 0.237 339 D C 0.479 176.916 176.300 0.228 0.000 1.190 339 D CA -0.124 53.919 54.000 0.070 0.000 0.867 339 D CB 1.188 41.987 40.800 -0.002 0.000 1.050 339 D HN -0.026 nan 8.370 nan 0.000 0.491 340 K N 1.465 122.050 120.400 0.309 0.000 2.242 340 K HA 0.120 4.439 4.320 -0.001 0.000 0.200 340 K C 0.691 177.634 176.600 0.571 0.000 1.050 340 K CA 0.556 57.139 56.287 0.494 0.000 0.981 340 K CB 0.300 33.239 32.500 0.732 0.000 0.795 340 K HN 0.531 nan 8.250 nan 0.000 0.477 341 F N -2.130 117.995 119.950 0.292 0.000 2.741 341 F HA 0.543 5.070 4.527 -0.001 0.000 0.311 341 F C -1.462 174.364 175.800 0.043 0.000 1.149 341 F CA -1.411 56.575 58.000 -0.022 0.000 0.930 341 F CB 1.021 39.975 39.000 -0.078 0.000 1.312 341 F HN -0.309 nan 8.300 nan 0.000 0.450 342 L N 3.142 124.401 121.223 0.059 0.000 2.362 342 L HA 0.774 5.114 4.340 -0.001 0.000 0.275 342 L C -1.219 175.754 176.870 0.172 0.000 0.998 342 L CA -1.223 53.670 54.840 0.089 0.000 0.820 342 L CB 2.020 44.132 42.059 0.089 0.000 1.270 342 L HN 0.851 nan 8.230 nan 0.000 0.415 343 V N 4.343 124.385 119.914 0.213 0.000 2.409 343 V HA 0.560 4.679 4.120 -0.001 0.000 0.291 343 V C -0.790 175.434 176.094 0.216 0.000 1.020 343 V CA -0.526 61.898 62.300 0.207 0.000 0.848 343 V CB 1.602 33.566 31.823 0.235 0.000 0.990 343 V HN 0.609 nan 8.190 nan 0.000 0.430 344 L N 6.007 127.315 121.223 0.142 0.000 2.307 344 L HA 0.996 5.336 4.340 -0.001 0.000 0.284 344 L C 0.296 177.241 176.870 0.126 0.000 1.023 344 L CA -0.328 54.602 54.840 0.150 0.000 0.810 344 L CB 1.453 43.548 42.059 0.060 0.000 1.231 344 L HN 0.996 nan 8.230 nan 0.000 0.423 345 A N 1.345 124.303 122.820 0.230 0.000 2.612 345 A HA 0.754 5.073 4.320 -0.001 0.000 0.293 345 A C -0.327 177.375 177.584 0.197 0.000 1.075 345 A CA -0.573 51.496 52.037 0.053 0.000 0.680 345 A CB 1.604 20.405 19.000 -0.332 0.000 1.279 345 A HN 0.646 nan 8.150 nan 0.000 0.411 346 T N -0.989 113.588 114.554 0.038 0.000 2.816 346 T HA 0.380 4.730 4.350 -0.001 0.000 0.282 346 T C 0.761 175.539 174.700 0.130 0.000 0.993 346 T CA 0.365 62.531 62.100 0.109 0.000 0.994 346 T CB 0.604 69.503 68.868 0.052 0.000 1.025 346 T HN 0.770 nan 8.240 nan 0.000 0.529 347 D N -0.332 120.201 120.400 0.222 0.000 2.384 347 D HA -0.039 4.601 4.640 -0.001 0.000 0.222 347 D C 1.915 178.266 176.300 0.085 0.000 0.976 347 D CA 0.944 55.097 54.000 0.255 0.000 0.915 347 D CB -1.008 39.899 40.800 0.178 0.000 0.896 347 D HN 0.748 nan 8.370 nan 0.000 0.523 348 G N 0.601 109.407 108.800 0.010 0.000 2.448 348 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.219 348 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.219 348 G C 1.543 176.371 174.900 -0.120 0.000 1.127 348 G CA 0.655 45.740 45.100 -0.025 0.000 0.766 348 G HN 0.390 nan 8.290 nan 0.000 0.552 349 L N -1.203 119.847 121.223 -0.287 0.000 2.121 349 L HA 0.170 4.510 4.340 -0.001 0.000 0.200 349 L C 2.591 179.234 176.870 -0.379 0.000 1.077 349 L CA 0.632 55.182 54.840 -0.482 0.000 0.766 349 L CB -0.185 41.332 42.059 -0.903 0.000 0.931 349 L HN 0.406 nan 8.230 nan 0.000 0.452 350 W N 0.204 121.484 121.300 -0.033 0.000 2.424 350 W HA -0.134 4.526 4.660 -0.000 0.000 0.264 350 W C 2.102 178.607 176.519 -0.023 0.000 1.229 350 W CA -0.079 57.243 57.345 -0.039 0.000 1.208 350 W CB -0.144 29.283 29.460 -0.054 0.000 1.127 350 W HN 0.166 nan 8.180 nan 0.000 0.588 351 E N -0.303 119.980 120.200 0.139 0.000 2.435 351 E HA -0.058 4.291 4.350 -0.001 0.000 0.195 351 E C 2.030 178.670 176.600 0.066 0.000 1.029 351 E CA 1.527 57.986 56.400 0.098 0.000 0.865 351 E CB -0.237 29.509 29.700 0.076 0.000 0.833 351 E HN 0.421 nan 8.360 nan 0.000 0.510 352 T N -3.251 111.325 114.554 0.037 0.000 3.000 352 T HA 0.276 4.625 4.350 -0.001 0.000 0.248 352 T C 1.019 175.742 174.700 0.039 0.000 1.034 352 T CA -0.042 62.072 62.100 0.023 0.000 1.060 352 T CB 0.463 69.320 68.868 -0.019 0.000 0.983 352 T HN -0.125 nan 8.240 nan 0.000 0.482 353 M N 1.091 120.723 119.600 0.055 0.000 2.550 353 M HA 0.395 4.874 4.480 -0.001 0.000 0.292 353 M C -0.742 175.657 176.300 0.165 0.000 1.221 353 M CA -0.964 54.389 55.300 0.089 0.000 0.873 353 M CB 2.428 35.050 32.600 0.037 0.000 1.727 353 M HN 0.155 nan 8.290 nan 0.000 0.459 354 H N 2.882 122.007 119.070 0.090 0.000 2.690 354 H HA 0.175 4.731 4.556 -0.001 0.000 0.365 354 H C 0.638 176.057 175.328 0.152 0.000 1.142 354 H CA 0.602 56.712 56.048 0.105 0.000 1.417 354 H CB 1.058 30.861 29.762 0.068 0.000 1.446 354 H HN 0.772 nan 8.280 nan 0.000 0.599 355 R N 2.204 122.326 120.500 -0.630 0.000 2.105 355 R HA -0.171 4.169 4.340 -0.001 0.000 0.239 355 R C 1.808 178.045 176.300 -0.105 0.000 1.135 355 R CA 1.506 57.444 56.100 -0.269 0.000 0.967 355 R CB -0.291 29.781 30.300 -0.380 0.000 0.861 355 R HN 0.645 nan 8.270 nan 0.000 0.442 356 Q N 0.440 120.206 119.800 -0.057 0.000 2.245 356 Q HA -0.083 4.256 4.340 -0.001 0.000 0.201 356 Q C 1.085 177.224 176.000 0.231 0.000 0.955 356 Q CA 1.045 56.989 55.803 0.235 0.000 0.870 356 Q CB 0.213 29.170 28.738 0.365 0.000 0.945 356 Q HN 0.423 nan 8.270 nan 0.000 0.461 357 D N -0.181 120.379 120.400 0.266 0.000 2.117 357 D HA -0.133 4.507 4.640 -0.001 0.000 0.198 357 D C 1.977 178.304 176.300 0.045 0.000 0.982 357 D CA 0.865 54.943 54.000 0.130 0.000 0.828 357 D CB -0.038 40.834 40.800 0.119 0.000 0.967 357 D HN 0.084 nan 8.370 nan 0.000 0.464 358 V N 1.109 121.064 119.914 0.067 0.000 2.231 358 V HA -0.244 3.876 4.120 -0.001 0.000 0.248 358 V C 2.745 178.862 176.094 0.038 0.000 1.054 358 V CA 1.296 63.609 62.300 0.022 0.000 1.015 358 V CB -0.745 31.138 31.823 0.099 0.000 0.638 358 V HN 0.053 nan 8.190 nan 0.000 0.444 359 V N -0.448 119.546 119.914 0.134 0.000 2.343 359 V HA -0.266 3.854 4.120 -0.001 0.000 0.247 359 V C 2.645 178.736 176.094 -0.005 0.000 1.051 359 V CA 2.363 64.788 62.300 0.209 0.000 1.036 359 V CB -0.710 31.226 31.823 0.187 0.000 0.654 359 V HN 0.461 nan 8.190 nan 0.000 0.451 360 R N -0.395 120.105 120.500 -0.001 0.000 2.073 360 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 360 R C 2.281 178.440 176.300 -0.235 0.000 1.134 360 R CA 1.908 57.961 56.100 -0.079 0.000 0.952 360 R CB -0.314 30.026 30.300 0.067 0.000 0.850 360 R HN 0.456 nan 8.270 nan 0.000 0.433 361 I N 0.193 120.649 120.570 -0.189 0.000 2.179 361 I HA -0.276 3.894 4.170 -0.001 0.000 0.242 361 I C 2.287 178.230 176.117 -0.289 0.000 1.088 361 I CA 1.124 62.280 61.300 -0.240 0.000 1.357 361 I CB -0.189 37.610 38.000 -0.335 0.000 1.051 361 I HN 0.037 nan 8.210 nan 0.000 0.409 362 V N 0.982 120.671 119.914 -0.375 0.000 2.295 362 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 362 V C 2.632 178.217 176.094 -0.849 0.000 1.049 362 V CA 2.158 64.094 62.300 -0.607 0.000 1.024 362 V CB -1.584 29.738 31.823 -0.835 0.000 0.648 362 V HN 0.574 nan 8.190 nan 0.000 0.447 363 G N -0.392 107.744 108.800 -1.107 0.000 2.476 363 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.218 363 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.218 363 G C 1.484 176.017 174.900 -0.611 0.000 1.164 363 G CA 1.155 45.277 45.100 -1.630 0.000 0.768 363 G HN 0.580 nan 8.290 nan 0.000 0.560 364 E N -0.794 119.182 120.200 -0.373 0.000 2.106 364 E HA -0.121 4.228 4.350 -0.001 0.000 0.192 364 E C 2.076 178.619 176.600 -0.094 0.000 0.984 364 E CA 0.892 57.275 56.400 -0.028 0.000 0.806 364 E CB -0.263 29.460 29.700 0.039 0.000 0.750 364 E HN 0.587 nan 8.360 nan 0.000 0.458 365 Y N 1.561 121.622 120.300 -0.398 0.000 2.097 365 Y HA -0.249 4.301 4.550 -0.001 0.000 0.282 365 Y C 1.907 177.535 175.900 -0.454 0.000 1.152 365 Y CA 1.591 59.285 58.100 -0.676 0.000 1.136 365 Y CB -0.361 37.507 38.460 -0.986 0.000 0.975 365 Y HN -0.063 nan 8.280 nan 0.000 0.498 366 L N -0.814 120.110 121.223 -0.498 0.000 2.083 366 L HA -0.210 4.130 4.340 -0.001 0.000 0.209 366 L C 2.227 178.940 176.870 -0.262 0.000 1.083 366 L CA 1.834 56.401 54.840 -0.454 0.000 0.752 366 L CB -0.745 41.144 42.059 -0.283 0.000 0.899 366 L HN 0.193 nan 8.230 nan 0.000 0.433 367 T N -0.580 113.916 114.554 -0.097 0.000 3.148 367 T HA 0.082 4.431 4.350 -0.001 0.000 0.253 367 T C 1.275 175.975 174.700 0.000 0.000 1.134 367 T CA 0.788 62.917 62.100 0.048 0.000 1.051 367 T CB -0.156 68.875 68.868 0.272 0.000 0.959 367 T HN 0.642 nan 8.240 nan 0.000 0.525 368 G N 1.621 110.371 108.800 -0.084 0.000 2.225 368 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.267 368 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.267 368 G C 0.540 175.517 174.900 0.127 0.000 1.024 368 G CA 0.505 45.617 45.100 0.021 0.000 0.784 368 G HN 0.548 nan 8.290 nan 0.000 0.507 369 M N 0.667 120.350 119.600 0.140 0.000 2.475 369 M HA 0.188 4.668 4.480 -0.001 0.000 0.283 369 M C 1.802 178.160 176.300 0.096 0.000 1.165 369 M CA 0.074 55.438 55.300 0.107 0.000 0.976 369 M CB 0.093 32.764 32.600 0.117 0.000 1.428 369 M HN 0.481 nan 8.290 nan 0.000 0.495 370 H N -1.819 117.206 119.070 -0.074 0.000 2.567 370 H HA 0.036 4.592 4.556 -0.001 0.000 0.276 370 H C -0.273 174.959 175.328 -0.161 0.000 1.016 370 H CA 0.737 56.719 56.048 -0.110 0.000 1.186 370 H CB -0.485 29.181 29.762 -0.160 0.000 1.351 370 H HN 0.308 nan 8.280 nan 0.000 0.605 371 H N 0.661 119.585 119.070 -0.242 0.000 2.423 371 H HA 0.426 4.982 4.556 -0.001 0.000 0.237 371 H C -0.692 174.590 175.328 -0.077 0.000 1.391 371 H CA -0.357 55.578 56.048 -0.188 0.000 1.453 371 H CB 0.986 30.577 29.762 -0.285 0.000 1.484 371 H HN 0.251 nan 8.280 nan 0.000 0.505 372 Q N 2.133 121.981 119.800 0.079 0.000 2.263 372 Q HA 0.359 4.698 4.340 -0.001 0.000 0.262 372 Q C -1.002 175.032 176.000 0.057 0.000 0.984 372 Q CA -0.431 55.409 55.803 0.062 0.000 0.813 372 Q CB 2.075 30.850 28.738 0.061 0.000 1.299 372 Q HN 0.570 nan 8.270 nan 0.000 0.428 406 N N 0.204 118.885 118.700 -0.031 0.000 2.342 406 N HA 0.635 5.374 4.740 -0.001 0.000 0.293 406 N C 0.904 176.204 175.510 -0.350 0.000 1.026 406 N CA 0.547 53.541 53.050 -0.094 0.000 0.857 406 N CB 1.835 40.282 38.487 -0.067 0.000 1.256 406 N HN 0.706 nan 8.380 nan 0.000 0.484 407 A N 3.736 126.367 122.820 -0.315 0.000 1.902 407 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 407 A C 2.036 179.405 177.584 -0.358 0.000 1.181 407 A CA 2.029 53.738 52.037 -0.546 0.000 0.623 407 A CB -0.810 18.075 19.000 -0.191 0.000 0.818 407 A HN 0.793 nan 8.150 nan 0.000 0.443 408 A N -0.975 121.729 122.820 -0.194 0.000 1.877 408 A HA -0.085 4.234 4.320 -0.001 0.000 0.216 408 A C 2.311 179.797 177.584 -0.163 0.000 1.186 408 A CA 2.297 54.249 52.037 -0.143 0.000 0.620 408 A CB -1.319 17.649 19.000 -0.054 0.000 0.822 408 A HN 0.428 nan 8.150 nan 0.000 0.443 409 T N -1.117 113.345 114.554 -0.153 0.000 2.746 409 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 409 T C 1.890 176.488 174.700 -0.170 0.000 1.039 409 T CA 1.436 63.451 62.100 -0.142 0.000 1.142 409 T CB -0.513 68.290 68.868 -0.108 0.000 0.866 409 T HN 0.667 nan 8.240 nan 0.000 0.444 410 H N 0.604 119.464 119.070 -0.351 0.000 2.319 410 H HA -0.058 4.497 4.556 -0.001 0.000 0.299 410 H C 2.353 177.562 175.328 -0.200 0.000 1.092 410 H CA 1.441 57.278 56.048 -0.352 0.000 1.302 410 H CB -0.376 28.942 29.762 -0.740 0.000 1.373 410 H HN 0.207 nan 8.280 nan 0.000 0.497 411 L N 1.210 122.325 121.223 -0.181 0.000 2.046 411 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 411 L C 2.719 179.483 176.870 -0.177 0.000 1.077 411 L CA 1.468 56.202 54.840 -0.178 0.000 0.747 411 L CB -0.938 41.001 42.059 -0.200 0.000 0.896 411 L HN 0.391 nan 8.230 nan 0.000 0.432 412 I N -1.110 119.340 120.570 -0.201 0.000 2.493 412 I HA -0.272 3.898 4.170 -0.001 0.000 0.254 412 I C 2.489 178.477 176.117 -0.216 0.000 1.160 412 I CA 1.094 62.263 61.300 -0.218 0.000 1.445 412 I CB -0.218 37.648 38.000 -0.223 0.000 1.086 412 I HN 0.238 nan 8.210 nan 0.000 0.433 413 R N -0.521 119.848 120.500 -0.218 0.000 2.148 413 R HA -0.136 4.203 4.340 -0.001 0.000 0.227 413 R C 2.114 178.249 176.300 -0.275 0.000 1.103 413 R CA 1.079 57.033 56.100 -0.243 0.000 0.983 413 R CB -0.360 29.779 30.300 -0.268 0.000 0.874 413 R HN 0.571 nan 8.270 nan 0.000 0.451 414 H N -0.584 118.322 119.070 -0.275 0.000 2.415 414 H HA 0.085 4.641 4.556 -0.001 0.000 0.297 414 H C 1.984 177.215 175.328 -0.162 0.000 1.048 414 H CA 1.212 57.130 56.048 -0.217 0.000 1.365 414 H CB 0.223 29.845 29.762 -0.234 0.000 1.421 414 H HN 0.225 nan 8.280 nan 0.000 0.533 415 A N 0.503 123.282 122.820 -0.069 0.000 1.933 415 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 415 A C 2.677 180.201 177.584 -0.100 0.000 1.175 415 A CA 1.513 53.490 52.037 -0.101 0.000 0.628 415 A CB -0.614 18.282 19.000 -0.173 0.000 0.814 415 A HN 0.187 nan 8.150 nan 0.000 0.444 416 V N -0.794 119.034 119.914 -0.144 0.000 2.341 416 V HA 0.142 4.262 4.120 -0.001 0.000 0.240 416 V C 1.860 177.913 176.094 -0.068 0.000 1.035 416 V CA 1.084 63.315 62.300 -0.115 0.000 1.033 416 V CB -0.934 30.762 31.823 -0.211 0.000 0.678 416 V HN 0.580 nan 8.190 nan 0.000 0.464 444 R N 0.448 121.003 120.500 0.091 0.000 2.577 444 R HA 0.328 4.667 4.340 -0.001 0.000 0.344 444 R C -1.264 175.067 176.300 0.050 0.000 1.037 444 R CA -0.046 56.054 56.100 0.000 0.000 1.102 444 R CB 0.624 30.931 30.300 0.012 0.000 1.313 444 R HN 0.642 nan 8.270 nan 0.000 0.561 445 D N -0.415 120.076 120.400 0.152 0.000 2.663 445 D HA 0.080 4.720 4.640 -0.001 0.000 0.233 445 D C -1.397 175.019 176.300 0.193 0.000 1.240 445 D CA -0.617 53.461 54.000 0.131 0.000 0.774 445 D CB 1.492 42.350 40.800 0.096 0.000 1.443 445 D HN -0.192 nan 8.370 nan 0.000 0.441 446 D N 0.918 121.396 120.400 0.130 0.000 2.506 446 D HA 0.199 4.839 4.640 -0.001 0.000 0.234 446 D C 0.026 176.356 176.300 0.050 0.000 1.143 446 D CA 0.729 54.795 54.000 0.110 0.000 0.871 446 D CB 0.591 41.432 40.800 0.068 0.000 1.190 446 D HN 0.261 nan 8.370 nan 0.000 0.459 447 I N 1.306 121.867 120.570 -0.014 0.000 2.439 447 I HA 0.166 4.336 4.170 -0.001 0.000 0.285 447 I C 0.083 176.137 176.117 -0.106 0.000 1.021 447 I CA -0.526 60.714 61.300 -0.100 0.000 1.091 447 I CB 1.950 39.825 38.000 -0.209 0.000 1.242 447 I HN 0.219 nan 8.210 nan 0.000 0.439 448 T N 5.233 119.731 114.554 -0.094 0.000 2.861 448 T HA 0.829 5.179 4.350 -0.001 0.000 0.287 448 T C -0.809 173.835 174.700 -0.093 0.000 1.003 448 T CA -0.539 61.514 62.100 -0.078 0.000 0.977 448 T CB 1.667 70.514 68.868 -0.034 0.000 0.996 448 T HN 0.369 nan 8.240 nan 0.000 0.448 449 I N 2.925 123.448 120.570 -0.079 0.000 2.686 449 I HA 0.526 4.696 4.170 -0.001 0.000 0.295 449 I C -0.930 175.188 176.117 0.001 0.000 1.114 449 I CA -1.162 60.092 61.300 -0.076 0.000 1.038 449 I CB 2.480 40.397 38.000 -0.139 0.000 1.238 449 I HN 0.615 nan 8.210 nan 0.000 0.420 450 I N 5.740 126.328 120.570 0.030 0.000 2.447 450 I HA 0.387 4.557 4.170 -0.001 0.000 0.287 450 I C -0.900 175.264 176.117 0.079 0.000 1.023 450 I CA -0.828 60.529 61.300 0.095 0.000 1.083 450 I CB 2.200 40.245 38.000 0.075 0.000 1.245 450 I HN 0.152 nan 8.210 nan 0.000 0.434 451 V N 7.527 127.500 119.914 0.099 0.000 2.334 451 V HA 0.329 4.448 4.120 -0.001 0.000 0.281 451 V C -0.049 176.097 176.094 0.087 0.000 1.016 451 V CA -0.615 61.720 62.300 0.058 0.000 0.832 451 V CB 1.797 33.592 31.823 -0.045 0.000 0.999 451 V HN 0.362 nan 8.190 nan 0.000 0.439 452 V N 5.392 125.315 119.914 0.015 0.000 2.394 452 V HA 0.403 4.522 4.120 -0.001 0.000 0.282 452 V C 0.020 175.932 176.094 -0.303 0.000 1.031 452 V CA -0.448 61.791 62.300 -0.101 0.000 0.881 452 V CB 1.532 33.212 31.823 -0.238 0.000 0.982 452 V HN 0.910 nan 8.190 nan 0.000 0.451 453 Q N 3.681 123.350 119.800 -0.219 0.000 2.307 453 Q HA 0.547 4.887 4.340 -0.001 0.000 0.262 453 Q C -1.321 174.562 176.000 -0.194 0.000 0.961 453 Q CA -0.465 55.233 55.803 -0.174 0.000 0.882 453 Q CB 1.210 29.925 28.738 -0.037 0.000 1.264 453 Q HN 0.650 nan 8.270 nan 0.000 0.446 454 F N 1.764 121.797 119.950 0.139 0.000 2.378 454 F HA 0.256 4.782 4.527 -0.000 0.000 0.325 454 F C 0.968 176.812 175.800 0.074 0.000 1.097 454 F CA -0.854 57.200 58.000 0.090 0.000 1.079 454 F CB 0.790 39.835 39.000 0.075 0.000 1.240 454 F HN 0.487 nan 8.300 nan 0.000 0.519 455 N N 0.904 119.773 118.700 0.282 0.000 2.521 455 N HA 0.066 4.806 4.740 -0.001 0.000 0.236 455 N C 0.318 175.928 175.510 0.166 0.000 1.067 455 N CA 0.107 53.257 53.050 0.167 0.000 0.939 455 N CB 1.013 39.580 38.487 0.133 0.000 1.201 455 N HN 0.536 nan 8.380 nan 0.000 0.511 456 S N 2.199 117.986 115.700 0.144 0.000 2.419 456 S HA -0.130 4.340 4.470 -0.001 0.000 0.233 456 S C 1.231 175.957 174.600 0.210 0.000 1.016 456 S CA 0.888 59.173 58.200 0.142 0.000 0.974 456 S CB -0.182 63.082 63.200 0.107 0.000 0.786 456 S HN 0.625 nan 8.310 nan 0.000 0.492 457 H N 0.792 119.902 119.070 0.067 0.000 2.363 457 H HA 0.092 4.648 4.556 -0.001 0.000 0.301 457 H C 2.212 177.584 175.328 0.074 0.000 1.074 457 H CA 0.946 57.027 56.048 0.055 0.000 1.354 457 H CB -0.662 29.124 29.762 0.041 0.000 1.397 457 H HN 0.190 nan 8.280 nan 0.000 0.516 458 V N -0.194 119.857 119.914 0.228 0.000 2.307 458 V HA -0.187 3.932 4.120 -0.001 0.000 0.245 458 V C 2.639 178.901 176.094 0.280 0.000 1.045 458 V CA 1.354 63.790 62.300 0.226 0.000 1.024 458 V CB -0.746 31.207 31.823 0.217 0.000 0.651 458 V HN 0.195 nan 8.190 nan 0.000 0.449 459 V N 1.164 121.185 119.914 0.178 0.000 2.324 459 V HA -0.249 3.870 4.120 -0.001 0.000 0.250 459 V C 2.615 178.792 176.094 0.137 0.000 1.060 459 V CA 2.354 64.718 62.300 0.105 0.000 1.042 459 V CB -1.419 30.413 31.823 0.015 0.000 0.650 459 V HN 0.630 nan 8.190 nan 0.000 0.450 460 G N -0.766 108.108 108.800 0.124 0.000 2.402 460 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.216 460 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.216 460 G C 1.785 176.729 174.900 0.072 0.000 1.162 460 G CA 0.978 46.129 45.100 0.085 0.000 0.777 460 G HN 0.613 nan 8.290 nan 0.000 0.539 461 A N 0.296 123.166 122.820 0.082 0.000 1.883 461 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 461 A C 2.217 179.799 177.584 -0.002 0.000 1.186 461 A CA 1.683 53.728 52.037 0.014 0.000 0.624 461 A CB -0.784 18.213 19.000 -0.004 0.000 0.822 461 A HN 0.389 nan 8.150 nan 0.000 0.444 462 Y N -0.325 119.971 120.300 -0.007 0.000 2.165 462 Y HA -0.269 4.281 4.550 -0.001 0.000 0.286 462 Y C 2.757 178.649 175.900 -0.013 0.000 1.155 462 Y CA 2.090 60.185 58.100 -0.008 0.000 1.164 462 Y CB -0.395 38.060 38.460 -0.008 0.000 0.978 462 Y HN 0.513 nan 8.280 nan 0.000 0.513 463 Q N 0.052 119.939 119.800 0.146 0.000 2.084 463 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 463 Q C 1.726 177.742 176.000 0.027 0.000 0.978 463 Q CA 1.491 57.335 55.803 0.068 0.000 0.844 463 Q CB -0.092 28.673 28.738 0.044 0.000 0.898 463 Q HN 0.386 nan 8.270 nan 0.000 0.426 464 N N 0.338 119.043 118.700 0.009 0.000 2.453 464 N HA -0.107 4.633 4.740 -0.001 0.000 0.183 464 N C 0.261 175.756 175.510 -0.026 0.000 1.041 464 N CA 0.884 53.925 53.050 -0.015 0.000 0.900 464 N CB 0.169 38.639 38.487 -0.028 0.000 0.961 464 N HN 0.364 nan 8.380 nan 0.000 0.443 465 Q N -0.129 119.650 119.800 -0.034 0.000 2.268 465 Q HA 0.180 4.519 4.340 -0.001 0.000 0.289 465 Q C 0.125 176.114 176.000 -0.018 0.000 0.893 465 Q CA -0.069 55.706 55.803 -0.045 0.000 1.057 465 Q CB 0.615 29.295 28.738 -0.096 0.000 1.173 465 Q HN 0.364 nan 8.270 nan 0.000 0.449 466 E N -0.438 119.762 120.200 -0.000 0.000 3.100 466 E HA 0.034 4.384 4.350 -0.001 0.000 0.191 466 E C 0.361 176.961 176.600 0.001 0.000 1.097 466 E CA -0.087 56.319 56.400 0.010 0.000 1.339 466 E CB 0.589 30.304 29.700 0.025 0.000 1.330 466 E HN 0.147 nan 8.360 nan 0.000 0.511 467 Q N 0.000 119.800 119.800 -0.001 0.000 2.315 467 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 467 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 467 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 467 Q HN 0.000 nan 8.270 nan 0.000 0.481