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 2o7e_1_C DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.612 176.600 0.020 0.000 0.988 8 K CA 0.000 56.300 56.287 0.022 0.000 0.838 8 K CB 0.000 32.515 32.500 0.024 0.000 1.064 9 P HA 0.183 nan 4.420 nan 0.000 0.270 9 P C -1.466 175.844 177.300 0.017 0.000 1.227 9 P CA -0.436 62.676 63.100 0.021 0.000 0.788 9 P CB 0.733 32.448 31.700 0.026 0.000 0.926 10 A N 0.951 123.779 122.820 0.014 0.000 2.371 10 A HA 0.557 4.879 4.320 0.004 0.000 0.311 10 A C -1.048 176.541 177.584 0.008 0.000 1.068 10 A CA -0.579 51.464 52.037 0.009 0.000 0.744 10 A CB 1.220 20.225 19.000 0.007 0.000 1.239 10 A HN 0.308 nan 8.150 nan 0.000 0.435 11 V N 2.392 122.308 119.914 0.003 0.000 2.347 11 V HA 0.310 4.432 4.120 0.004 0.000 0.280 11 V C 0.257 176.350 176.094 -0.002 0.000 1.021 11 V CA -0.357 61.943 62.300 0.001 0.000 0.847 11 V CB 1.254 33.073 31.823 -0.006 0.000 0.990 11 V HN 0.957 nan 8.190 nan 0.000 0.444 12 E N 4.546 124.748 120.200 0.003 0.000 2.130 12 E HA 0.361 4.713 4.350 0.004 0.000 0.284 12 E C -0.952 175.649 176.600 0.001 0.000 1.018 12 E CA -0.776 55.625 56.400 0.002 0.000 0.817 12 E CB 1.250 30.954 29.700 0.007 0.000 1.078 12 E HN 0.570 nan 8.360 nan 0.000 0.396 13 L N 5.619 126.839 121.223 -0.004 0.000 2.261 13 L HA 0.268 4.611 4.340 0.004 0.000 0.289 13 L C -0.175 176.695 176.870 0.001 0.000 1.059 13 L CA 0.409 55.244 54.840 -0.007 0.000 0.816 13 L CB 1.091 43.140 42.059 -0.018 0.000 1.191 13 L HN 0.706 nan 8.230 nan 0.000 0.431 14 D N 2.871 123.277 120.400 0.010 0.000 2.949 14 D HA 0.180 4.822 4.640 0.004 0.000 0.247 14 D C 1.372 177.684 176.300 0.020 0.000 1.552 14 D CA 0.799 54.809 54.000 0.016 0.000 1.231 14 D CB 0.696 41.510 40.800 0.022 0.000 0.990 14 D HN 0.570 nan 8.370 nan 0.000 0.270 15 R N -1.786 118.737 120.500 0.038 0.000 2.243 15 R HA 0.199 4.541 4.340 0.004 0.000 0.193 15 R C 0.174 176.520 176.300 0.077 0.000 0.933 15 R CA -0.127 56.003 56.100 0.050 0.000 1.105 15 R CB 0.579 30.913 30.300 0.056 0.000 1.169 15 R HN 0.224 nan 8.270 nan 0.000 0.599 16 H N 0.044 119.109 119.070 -0.009 0.000 2.572 16 H HA 0.546 5.104 4.556 0.003 0.000 0.359 16 H C -1.461 173.863 175.328 -0.008 0.000 1.134 16 H CA -0.672 55.370 56.048 -0.010 0.000 1.187 16 H CB 1.530 31.286 29.762 -0.010 0.000 1.597 16 H HN -0.003 nan 8.280 nan 0.000 0.524 17 I N 4.288 124.517 120.570 -0.568 0.000 2.619 17 I HA 0.262 4.434 4.170 0.004 0.000 0.292 17 I C -1.170 174.672 176.117 -0.458 0.000 1.100 17 I CA -0.873 60.236 61.300 -0.319 0.000 1.043 17 I CB 1.511 39.404 38.000 -0.178 0.000 1.239 17 I HN 0.847 nan 8.210 nan 0.000 0.420 18 D N 6.080 126.384 120.400 -0.159 0.000 2.423 18 D HA 0.202 4.844 4.640 0.004 0.000 0.255 18 D C 0.968 177.245 176.300 -0.039 0.000 1.174 18 D CA -0.529 53.439 54.000 -0.053 0.000 1.008 18 D CB 0.947 41.791 40.800 0.072 0.000 1.101 18 D HN 0.516 nan 8.370 nan 0.000 0.516 19 L N -0.424 120.800 121.223 0.002 0.000 2.131 19 L HA -0.126 4.216 4.340 0.004 0.000 0.210 19 L C 1.469 178.377 176.870 0.063 0.000 1.092 19 L CA 1.248 56.104 54.840 0.027 0.000 0.759 19 L CB -0.444 41.642 42.059 0.045 0.000 0.903 19 L HN 0.443 nan 8.230 nan 0.000 0.435 20 D N -0.195 120.243 120.400 0.063 0.000 2.123 20 D HA -0.155 4.488 4.640 0.004 0.000 0.200 20 D C 2.309 178.654 176.300 0.075 0.000 0.976 20 D CA 1.024 55.078 54.000 0.090 0.000 0.831 20 D CB -0.066 40.779 40.800 0.074 0.000 0.974 20 D HN 0.409 nan 8.370 nan 0.000 0.469 21 Q N 0.546 120.370 119.800 0.040 0.000 2.124 21 Q HA -0.083 4.259 4.340 0.004 0.000 0.202 21 Q C 2.222 178.225 176.000 0.004 0.000 0.977 21 Q CA 1.332 57.147 55.803 0.020 0.000 0.850 21 Q CB -0.094 28.645 28.738 0.001 0.000 0.901 21 Q HN 0.186 nan 8.270 nan 0.000 0.429 22 A N 1.085 123.903 122.820 -0.003 0.000 1.865 22 A HA -0.257 4.065 4.320 0.004 0.000 0.217 22 A C 1.990 179.563 177.584 -0.018 0.000 1.191 22 A CA 1.725 53.749 52.037 -0.021 0.000 0.623 22 A CB -0.976 18.010 19.000 -0.022 0.000 0.826 22 A HN 0.458 nan 8.150 nan 0.000 0.444 23 H N 0.049 119.071 119.070 -0.079 0.000 2.421 23 H HA -0.026 4.532 4.556 0.003 0.000 0.298 23 H C 2.245 177.494 175.328 -0.132 0.000 1.087 23 H CA 1.541 57.504 56.048 -0.142 0.000 1.330 23 H CB -0.187 29.412 29.762 -0.273 0.000 1.388 23 H HN 0.410 nan 8.280 nan 0.000 0.526 24 A N 0.377 123.208 122.820 0.017 0.000 1.933 24 A HA -0.104 4.218 4.320 0.004 0.000 0.218 24 A C 2.831 180.384 177.584 -0.052 0.000 1.175 24 A CA 1.627 53.671 52.037 0.011 0.000 0.628 24 A CB -0.779 18.249 19.000 0.046 0.000 0.814 24 A HN 0.296 nan 8.150 nan 0.000 0.444 25 V N -0.417 119.454 119.914 -0.071 0.000 2.323 25 V HA -0.147 3.975 4.120 0.004 0.000 0.244 25 V C 3.037 179.038 176.094 -0.155 0.000 1.041 25 V CA 1.682 63.931 62.300 -0.085 0.000 1.025 25 V CB -1.180 30.598 31.823 -0.075 0.000 0.656 25 V HN 0.591 nan 8.190 nan 0.000 0.451 26 A N 0.876 123.565 122.820 -0.218 0.000 1.940 26 A HA -0.198 4.124 4.320 0.004 0.000 0.219 26 A C 2.379 179.741 177.584 -0.369 0.000 1.176 26 A CA 2.231 54.081 52.037 -0.312 0.000 0.631 26 A CB -0.649 18.169 19.000 -0.303 0.000 0.814 26 A HN 0.690 nan 8.150 nan 0.000 0.446 27 S N -2.030 113.475 115.700 -0.326 0.000 2.593 27 S HA 0.376 4.848 4.470 0.004 0.000 0.217 27 S C 1.404 176.114 174.600 0.184 0.000 0.966 27 S CA 1.022 59.173 58.200 -0.082 0.000 0.914 27 S CB -0.308 62.755 63.200 -0.228 0.000 0.776 27 S HN 1.929 nan 8.310 nan 0.000 0.523 28 G N 0.486 109.329 108.800 0.071 0.000 2.162 28 G HA2 -0.232 3.730 3.960 0.004 0.000 0.260 28 G HA3 -0.232 3.730 3.960 0.004 0.000 0.260 28 G C 0.882 175.845 174.900 0.105 0.000 0.976 28 G CA 0.132 45.330 45.100 0.162 0.000 0.655 28 G HN 0.986 nan 8.290 nan 0.000 0.533 29 G N -0.396 108.444 108.800 0.067 0.000 2.534 29 G HA2 0.542 4.504 3.960 0.004 0.000 0.217 29 G HA3 0.542 4.504 3.960 0.004 0.000 0.217 29 G C 0.637 175.564 174.900 0.045 0.000 1.128 29 G CA 1.818 46.956 45.100 0.062 0.000 0.784 29 G HN 1.858 nan 8.290 nan 0.000 0.542 30 A N -0.521 122.316 122.820 0.029 0.000 2.549 30 A HA 0.773 5.095 4.320 0.004 0.000 0.297 30 A C -0.242 177.348 177.584 0.008 0.000 1.061 30 A CA -0.868 51.181 52.037 0.019 0.000 0.690 30 A CB 1.462 20.472 19.000 0.016 0.000 1.287 30 A HN 0.211 nan 8.150 nan 0.000 0.402 31 R N 0.035 120.540 120.500 0.009 0.000 2.583 31 R HA 0.665 5.007 4.340 0.004 0.000 0.268 31 R C -0.659 175.637 176.300 -0.007 0.000 1.101 31 R CA -0.351 55.750 56.100 0.002 0.000 1.180 31 R CB 1.021 31.324 30.300 0.005 0.000 1.128 31 R HN 0.674 nan 8.270 nan 0.000 0.568 32 I N 0.634 121.196 120.570 -0.012 0.000 2.545 32 I HA 0.413 4.585 4.170 0.004 0.000 0.292 32 I C -1.431 174.679 176.117 -0.012 0.000 1.040 32 I CA -0.936 60.354 61.300 -0.016 0.000 1.068 32 I CB 1.996 39.980 38.000 -0.028 0.000 1.251 32 I HN 0.281 nan 8.210 nan 0.000 0.424 33 V N 7.989 127.897 119.914 -0.009 0.000 2.760 33 V HA 0.492 4.615 4.120 0.004 0.000 0.309 33 V C -1.414 174.676 176.094 -0.006 0.000 1.077 33 V CA -0.693 61.603 62.300 -0.006 0.000 0.910 33 V CB 2.107 33.928 31.823 -0.003 0.000 1.008 33 V HN 0.638 nan 8.190 nan 0.000 0.424 34 L N 6.730 127.950 121.223 -0.006 0.000 2.278 34 L HA 0.769 5.111 4.340 0.004 0.000 0.287 34 L C 0.725 177.594 176.870 -0.001 0.000 1.072 34 L CA 0.523 55.361 54.840 -0.005 0.000 0.819 34 L CB 0.787 42.843 42.059 -0.005 0.000 1.176 34 L HN 0.910 nan 8.230 nan 0.000 0.435 35 A N 6.972 129.792 122.820 0.001 0.000 2.483 35 A HA 0.313 4.635 4.320 0.004 0.000 0.238 35 A C -1.530 176.057 177.584 0.004 0.000 1.070 35 A CA -0.655 51.384 52.037 0.004 0.000 0.770 35 A CB -0.387 18.617 19.000 0.007 0.000 1.008 35 A HN 0.793 nan 8.150 nan 0.000 0.497 36 P HA -0.166 nan 4.420 nan 0.000 0.216 36 P C -1.437 175.865 177.300 0.005 0.000 1.157 36 P CA 1.929 65.031 63.100 0.003 0.000 0.880 36 P CB -0.762 30.940 31.700 0.003 0.000 0.791 37 P HA -0.156 nan 4.420 nan 0.000 0.216 37 P C 1.401 178.706 177.300 0.008 0.000 1.150 37 P CA 2.009 65.114 63.100 0.008 0.000 0.837 37 P CB -0.610 31.096 31.700 0.009 0.000 0.786 38 A N -0.174 122.650 122.820 0.008 0.000 1.898 38 A HA -0.176 4.146 4.320 0.004 0.000 0.216 38 A C 2.241 179.829 177.584 0.007 0.000 1.181 38 A CA 1.284 53.326 52.037 0.008 0.000 0.620 38 A CB -0.982 18.022 19.000 0.006 0.000 0.819 38 A HN 0.043 nan 8.150 nan 0.000 0.442 39 R N -0.156 120.346 120.500 0.004 0.000 2.091 39 R HA -0.132 4.210 4.340 0.004 0.000 0.238 39 R C 1.606 177.909 176.300 0.004 0.000 1.136 39 R CA 1.525 57.626 56.100 0.003 0.000 0.959 39 R CB -0.434 29.866 30.300 0.001 0.000 0.856 39 R HN 0.492 nan 8.270 nan 0.000 0.437 40 D N 0.232 120.635 120.400 0.005 0.000 2.097 40 D HA -0.133 4.509 4.640 0.004 0.000 0.195 40 D C 1.988 178.293 176.300 0.008 0.000 0.989 40 D CA 1.171 55.174 54.000 0.005 0.000 0.827 40 D CB -0.164 40.640 40.800 0.006 0.000 0.966 40 D HN 0.196 nan 8.370 nan 0.000 0.456 41 R N 0.001 120.508 120.500 0.011 0.000 2.096 41 R HA -0.062 4.280 4.340 0.004 0.000 0.235 41 R C 2.491 178.801 176.300 0.017 0.000 1.127 41 R CA 0.862 56.971 56.100 0.015 0.000 0.968 41 R CB -0.412 29.898 30.300 0.017 0.000 0.861 41 R HN 0.236 nan 8.270 nan 0.000 0.440 42 C N -0.221 119.087 119.300 0.015 0.000 2.457 42 C HA 0.023 4.485 4.460 0.004 0.000 0.278 42 C C 2.575 177.571 174.990 0.010 0.000 1.309 42 C CA 0.301 59.329 59.018 0.016 0.000 1.735 42 C CB -0.715 27.033 27.740 0.012 0.000 1.992 42 C HN 0.451 nan 8.230 nan 0.000 0.493 43 R N 0.971 121.474 120.500 0.005 0.000 2.081 43 R HA -0.106 4.236 4.340 0.004 0.000 0.235 43 R C 2.365 178.666 176.300 0.001 0.000 1.131 43 R CA 1.573 57.673 56.100 0.001 0.000 0.960 43 R CB -0.431 29.869 30.300 -0.000 0.000 0.856 43 R HN 0.547 nan 8.270 nan 0.000 0.436 44 A N 0.003 122.826 122.820 0.005 0.000 1.933 44 A HA -0.171 4.151 4.320 0.004 0.000 0.218 44 A C 2.146 179.731 177.584 0.002 0.000 1.175 44 A CA 1.826 53.866 52.037 0.004 0.000 0.628 44 A CB -0.497 18.509 19.000 0.010 0.000 0.814 44 A HN 0.305 nan 8.150 nan 0.000 0.444 45 S N -0.908 114.798 115.700 0.009 0.000 2.387 45 S HA -0.168 4.304 4.470 0.004 0.000 0.226 45 S C 2.001 176.579 174.600 -0.037 0.000 1.026 45 S CA 1.461 59.666 58.200 0.008 0.000 0.972 45 S CB -0.304 62.924 63.200 0.046 0.000 0.814 45 S HN 0.674 nan 8.310 nan 0.000 0.477 46 E N 0.342 120.532 120.200 -0.018 0.000 2.077 46 E HA -0.117 4.235 4.350 0.004 0.000 0.193 46 E C 2.086 178.674 176.600 -0.020 0.000 0.989 46 E CA 1.022 57.413 56.400 -0.016 0.000 0.800 46 E CB -0.325 29.373 29.700 -0.003 0.000 0.746 46 E HN 0.603 nan 8.360 nan 0.000 0.452 47 A N 1.192 124.000 122.820 -0.020 0.000 1.933 47 A HA -0.159 4.163 4.320 0.004 0.000 0.218 47 A C 2.137 179.691 177.584 -0.050 0.000 1.175 47 A CA 1.222 53.248 52.037 -0.020 0.000 0.628 47 A CB -0.384 18.610 19.000 -0.012 0.000 0.814 47 A HN 0.155 nan 8.150 nan 0.000 0.444 48 R N -1.206 119.252 120.500 -0.070 0.000 2.073 48 R HA -0.112 4.230 4.340 0.004 0.000 0.234 48 R C 2.149 178.319 176.300 -0.218 0.000 1.134 48 R CA 1.470 57.508 56.100 -0.105 0.000 0.952 48 R CB -0.614 29.641 30.300 -0.075 0.000 0.850 48 R HN 0.504 nan 8.270 nan 0.000 0.433 49 L N 0.604 121.631 121.223 -0.327 0.000 2.042 49 L HA -0.055 4.287 4.340 0.004 0.000 0.210 49 L C 2.142 178.825 176.870 -0.311 0.000 1.076 49 L CA 2.212 56.761 54.840 -0.485 0.000 0.749 49 L CB -1.071 40.737 42.059 -0.418 0.000 0.893 49 L HN 0.190 nan 8.230 nan 0.000 0.432 50 G N -0.996 107.701 108.800 -0.173 0.000 2.469 50 G HA2 -0.306 3.656 3.960 0.004 0.000 0.219 50 G HA3 -0.306 3.656 3.960 0.004 0.000 0.219 50 G C 1.592 176.403 174.900 -0.148 0.000 1.150 50 G CA 0.994 46.002 45.100 -0.153 0.000 0.763 50 G HN 0.678 nan 8.290 nan 0.000 0.561 51 A N -0.007 122.747 122.820 -0.110 0.000 1.898 51 A HA 0.110 4.432 4.320 0.004 0.000 0.216 51 A C 2.608 180.144 177.584 -0.081 0.000 1.181 51 A CA 1.747 53.738 52.037 -0.076 0.000 0.620 51 A CB -0.635 18.335 19.000 -0.051 0.000 0.819 51 A HN 0.262 nan 8.150 nan 0.000 0.442 52 V N 0.366 120.213 119.914 -0.111 0.000 2.332 52 V HA -0.285 3.837 4.120 0.004 0.000 0.248 52 V C 2.420 178.470 176.094 -0.074 0.000 1.055 52 V CA 2.083 64.340 62.300 -0.072 0.000 1.038 52 V CB -0.642 31.124 31.823 -0.094 0.000 0.651 52 V HN 0.568 nan 8.190 nan 0.000 0.450 53 I N -0.626 119.853 120.570 -0.152 0.000 2.163 53 I HA -0.215 3.957 4.170 0.004 0.000 0.240 53 I C 2.757 178.814 176.117 -0.100 0.000 1.081 53 I CA 1.497 62.704 61.300 -0.155 0.000 1.353 53 I CB -0.483 37.323 38.000 -0.322 0.000 1.054 53 I HN 0.211 nan 8.210 nan 0.000 0.407 54 R N 0.838 121.279 120.500 -0.098 0.000 2.105 54 R HA -0.196 4.146 4.340 0.004 0.000 0.239 54 R C 1.841 178.121 176.300 -0.033 0.000 1.135 54 R CA 1.444 57.511 56.100 -0.056 0.000 0.967 54 R CB -0.330 29.942 30.300 -0.046 0.000 0.861 54 R HN 0.481 nan 8.270 nan 0.000 0.442 55 E N -0.117 120.066 120.200 -0.028 0.000 2.482 55 E HA 0.066 4.418 4.350 0.004 0.000 0.196 55 E C 0.372 176.973 176.600 0.002 0.000 1.047 55 E CA 0.360 56.755 56.400 -0.008 0.000 0.869 55 E CB 0.328 30.029 29.700 0.001 0.000 0.836 55 E HN 0.347 nan 8.360 nan 0.000 0.520 56 A N 1.904 124.722 122.820 -0.004 0.000 2.791 56 A HA -0.228 4.095 4.320 0.004 0.000 0.292 56 A C -0.012 177.595 177.584 0.039 0.000 1.487 56 A CA 0.520 52.562 52.037 0.008 0.000 0.760 56 A CB -1.331 17.668 19.000 -0.002 0.000 1.031 56 A HN 0.120 nan 8.150 nan 0.000 0.503 57 R N 0.173 120.709 120.500 0.061 0.000 2.643 57 R HA 0.116 4.458 4.340 0.004 0.000 0.270 57 R C 0.533 176.937 176.300 0.174 0.000 1.061 57 R CA -0.077 56.088 56.100 0.109 0.000 1.107 57 R CB 0.112 30.482 30.300 0.117 0.000 0.999 57 R HN 0.724 nan 8.270 nan 0.000 0.460 58 H N 1.890 120.998 119.070 0.064 0.000 3.089 58 H HA 0.229 4.788 4.556 0.004 0.000 0.262 58 H C -0.923 174.483 175.328 0.130 0.000 1.160 58 H CA -0.405 55.678 56.048 0.059 0.000 1.482 58 H CB 0.234 30.009 29.762 0.020 0.000 1.511 58 H HN 0.048 nan 8.280 nan 0.000 0.483 59 V N 6.410 126.522 119.914 0.329 0.000 2.638 59 V HA 0.006 4.128 4.120 0.004 0.000 0.306 59 V C -0.691 175.635 176.094 0.386 0.000 1.052 59 V CA -0.994 61.531 62.300 0.376 0.000 0.885 59 V CB 1.313 33.342 31.823 0.343 0.000 0.999 59 V HN 0.655 nan 8.190 nan 0.000 0.424 60 Y N 3.734 124.282 120.300 0.413 0.000 2.810 60 Y HA 0.353 4.905 4.550 0.003 0.000 0.332 60 Y C 1.386 177.392 175.900 0.176 0.000 1.243 60 Y CA 1.819 60.060 58.100 0.236 0.000 1.537 60 Y CB 0.564 39.211 38.460 0.310 0.000 1.265 60 Y HN 1.046 nan 8.280 nan 0.000 0.572 61 G N 4.009 112.508 108.800 -0.501 0.000 2.267 61 G HA2 -0.314 3.648 3.960 0.004 0.000 0.257 61 G HA3 -0.314 3.648 3.960 0.004 0.000 0.257 61 G C 0.687 175.537 174.900 -0.083 0.000 0.998 61 G CA 0.629 45.533 45.100 -0.327 0.000 0.620 61 G HN 0.673 nan 8.290 nan 0.000 0.529 62 L N 0.194 121.416 121.223 -0.002 0.000 2.537 62 L HA 0.305 4.647 4.340 0.004 0.000 0.224 62 L C 2.173 179.042 176.870 -0.001 0.000 1.065 62 L CA 1.563 56.422 54.840 0.031 0.000 0.860 62 L CB 0.549 42.661 42.059 0.087 0.000 1.086 62 L HN 0.484 nan 8.230 nan 0.000 0.482 63 T N -4.318 110.237 114.554 0.002 0.000 3.328 63 T HA 0.176 4.528 4.350 0.004 0.000 0.305 63 T C 0.265 174.936 174.700 -0.048 0.000 0.939 63 T CA 0.175 62.269 62.100 -0.009 0.000 0.950 63 T CB 0.063 68.958 68.868 0.046 0.000 1.182 63 T HN 0.158 nan 8.240 nan 0.000 0.545 64 T N -1.881 112.596 114.554 -0.129 0.000 2.841 64 T HA 0.780 5.133 4.350 0.004 0.000 0.296 64 T C 0.538 174.970 174.700 -0.447 0.000 1.166 64 T CA -0.268 61.727 62.100 -0.175 0.000 1.007 64 T CB 1.403 70.260 68.868 -0.017 0.000 1.253 64 T HN 0.313 nan 8.240 nan 0.000 0.511 65 G N -0.189 108.392 108.800 -0.365 0.000 2.553 65 G HA2 0.574 4.536 3.960 0.004 0.000 0.278 65 G HA3 0.574 4.536 3.960 0.004 0.000 0.278 65 G C -1.053 173.442 174.900 -0.676 0.000 1.349 65 G CA -0.831 43.965 45.100 -0.505 0.000 1.037 65 G HN 0.556 nan 8.290 nan 0.000 0.508 66 F N -0.856 119.089 119.950 -0.009 0.000 2.483 66 F HA 0.602 5.131 4.527 0.004 0.000 0.329 66 F C 1.212 177.142 175.800 0.217 0.000 1.064 66 F CA 0.367 58.436 58.000 0.115 0.000 0.986 66 F CB 1.305 40.413 39.000 0.180 0.000 1.218 66 F HN 1.010 nan 8.300 nan 0.000 0.484 67 G N 1.791 110.930 108.800 0.564 0.000 2.614 67 G HA2 -0.295 3.667 3.960 0.004 0.000 0.303 67 G HA3 -0.295 3.667 3.960 0.004 0.000 0.303 67 G C -1.826 173.188 174.900 0.189 0.000 1.270 67 G CA 0.005 45.275 45.100 0.283 0.000 0.988 67 G HN 0.524 nan 8.290 nan 0.000 0.551 68 P HA 0.094 nan 4.420 nan 0.000 0.228 68 P C 1.703 179.039 177.300 0.061 0.000 1.151 68 P CA 0.878 64.019 63.100 0.070 0.000 0.770 68 P CB -0.090 31.636 31.700 0.043 0.000 0.786 69 L N -1.608 119.655 121.223 0.066 0.000 2.612 69 L HA 0.169 4.511 4.340 0.004 0.000 0.230 69 L C 2.003 178.887 176.870 0.023 0.000 1.140 69 L CA 0.099 54.955 54.840 0.025 0.000 0.896 69 L CB -0.682 41.373 42.059 -0.007 0.000 1.065 69 L HN -0.048 nan 8.230 nan 0.000 0.447 70 A N 1.279 124.154 122.820 0.093 0.000 2.172 70 A HA -0.157 4.165 4.320 0.004 0.000 0.216 70 A C 1.922 179.555 177.584 0.081 0.000 1.154 70 A CA 1.279 53.387 52.037 0.118 0.000 0.701 70 A CB -0.503 18.671 19.000 0.291 0.000 0.789 70 A HN 0.646 nan 8.150 nan 0.000 0.465 71 N N -0.632 118.097 118.700 0.048 0.000 2.461 71 N HA -0.016 4.726 4.740 0.004 0.000 0.188 71 N C 0.013 175.518 175.510 -0.007 0.000 1.134 71 N CA 0.187 53.254 53.050 0.029 0.000 0.878 71 N CB -0.160 38.340 38.487 0.022 0.000 0.972 71 N HN 0.165 nan 8.380 nan 0.000 0.456 72 R N 1.040 121.526 120.500 -0.023 0.000 2.204 72 R HA 0.392 4.734 4.340 0.004 0.000 0.341 72 R C -0.194 176.063 176.300 -0.071 0.000 1.035 72 R CA -0.294 55.777 56.100 -0.047 0.000 0.887 72 R CB 0.696 30.965 30.300 -0.052 0.000 1.114 72 R HN 0.146 nan 8.270 nan 0.000 0.473 73 L N 3.974 125.148 121.223 -0.082 0.000 2.417 73 L HA 0.350 4.692 4.340 0.004 0.000 0.268 73 L C 0.131 176.947 176.870 -0.091 0.000 1.158 73 L CA -0.341 54.435 54.840 -0.105 0.000 0.819 73 L CB 0.571 42.543 42.059 -0.145 0.000 1.112 73 L HN 0.352 nan 8.230 nan 0.000 0.458 74 I N 1.407 121.922 120.570 -0.092 0.000 2.474 74 I HA 0.227 4.399 4.170 0.004 0.000 0.294 74 I C 0.324 176.406 176.117 -0.058 0.000 1.005 74 I CA -0.238 61.016 61.300 -0.076 0.000 1.113 74 I CB 1.707 39.651 38.000 -0.094 0.000 1.289 74 I HN 0.516 nan 8.210 nan 0.000 0.436 75 S N 2.976 118.650 115.700 -0.043 0.000 2.580 75 S HA 0.364 4.836 4.470 0.004 0.000 0.274 75 S C 1.453 176.038 174.600 -0.025 0.000 1.329 75 S CA 0.141 58.321 58.200 -0.033 0.000 1.036 75 S CB 1.268 64.452 63.200 -0.026 0.000 0.919 75 S HN 0.880 nan 8.310 nan 0.000 0.515 76 G N 2.706 111.494 108.800 -0.020 0.000 2.469 76 G HA2 -0.252 3.710 3.960 0.004 0.000 0.220 76 G HA3 -0.252 3.710 3.960 0.004 0.000 0.220 76 G C 1.278 176.175 174.900 -0.005 0.000 1.136 76 G CA 1.113 46.204 45.100 -0.014 0.000 0.759 76 G HN 0.913 nan 8.290 nan 0.000 0.562 77 E N 0.646 120.843 120.200 -0.004 0.000 2.338 77 E HA -0.099 4.253 4.350 0.004 0.000 0.197 77 E C 1.090 177.693 176.600 0.005 0.000 1.007 77 E CA 0.835 57.237 56.400 0.002 0.000 0.849 77 E CB -0.293 29.407 29.700 -0.000 0.000 0.774 77 E HN 0.377 nan 8.360 nan 0.000 0.506 78 N N 0.670 119.371 118.700 0.000 0.000 2.236 78 N HA 0.057 4.799 4.740 0.004 0.000 0.196 78 N C 1.544 177.060 175.510 0.009 0.000 1.114 78 N CA 0.140 53.192 53.050 0.004 0.000 0.859 78 N CB 0.928 39.413 38.487 -0.004 0.000 0.982 78 N HN 0.028 nan 8.380 nan 0.000 0.493 79 V N 1.127 121.047 119.914 0.010 0.000 2.407 79 V HA -0.174 3.948 4.120 0.004 0.000 0.248 79 V C 2.430 178.548 176.094 0.040 0.000 1.055 79 V CA 1.332 63.644 62.300 0.020 0.000 1.049 79 V CB -0.215 31.621 31.823 0.022 0.000 0.662 79 V HN 0.206 nan 8.190 nan 0.000 0.455 80 R N 0.319 120.840 120.500 0.035 0.000 2.080 80 R HA -0.129 4.213 4.340 0.004 0.000 0.236 80 R C 2.415 178.729 176.300 0.023 0.000 1.137 80 R CA 2.063 58.180 56.100 0.029 0.000 0.943 80 R CB -1.450 28.863 30.300 0.022 0.000 0.846 80 R HN 0.524 nan 8.270 nan 0.000 0.431 81 T N 2.470 117.039 114.554 0.027 0.000 2.684 81 T HA -0.158 4.194 4.350 0.004 0.000 0.267 81 T C 1.897 176.630 174.700 0.055 0.000 1.036 81 T CA 1.301 63.421 62.100 0.033 0.000 1.148 81 T CB -0.391 68.499 68.868 0.036 0.000 0.863 81 T HN 0.093 nan 8.240 nan 0.000 0.436 82 L N 1.373 122.639 121.223 0.071 0.000 1.990 82 L HA -0.191 4.151 4.340 0.004 0.000 0.213 82 L C 2.427 179.425 176.870 0.213 0.000 1.072 82 L CA 1.878 56.798 54.840 0.134 0.000 0.755 82 L CB -0.709 41.390 42.059 0.067 0.000 0.889 82 L HN 0.285 nan 8.230 nan 0.000 0.432 83 Q N -1.027 118.856 119.800 0.139 0.000 2.297 83 Q HA -0.065 4.277 4.340 0.004 0.000 0.204 83 Q C 2.161 178.131 176.000 -0.049 0.000 0.962 83 Q CA 1.105 56.960 55.803 0.088 0.000 0.879 83 Q CB -0.235 28.543 28.738 0.067 0.000 0.947 83 Q HN 0.713 nan 8.270 nan 0.000 0.462 84 A N 1.684 124.460 122.820 -0.073 0.000 1.897 84 A HA -0.154 4.168 4.320 0.004 0.000 0.215 84 A C 1.759 179.132 177.584 -0.352 0.000 1.181 84 A CA 1.167 53.067 52.037 -0.229 0.000 0.620 84 A CB -0.263 18.636 19.000 -0.169 0.000 0.821 84 A HN 0.246 nan 8.150 nan 0.000 0.443 85 N N -0.013 118.635 118.700 -0.087 0.000 2.244 85 N HA -0.121 4.621 4.740 0.004 0.000 0.183 85 N C 1.574 177.138 175.510 0.091 0.000 1.016 85 N CA 1.307 54.406 53.050 0.082 0.000 0.866 85 N CB -0.583 38.038 38.487 0.224 0.000 0.980 85 N HN 0.445 nan 8.380 nan 0.000 0.430 86 L N 1.018 122.225 121.223 -0.027 0.000 1.990 86 L HA -0.134 4.208 4.340 0.004 0.000 0.213 86 L C 1.958 178.395 176.870 -0.721 0.000 1.072 86 L CA 1.521 56.089 54.840 -0.454 0.000 0.755 86 L CB -0.805 40.912 42.059 -0.571 0.000 0.889 86 L HN -0.086 nan 8.230 nan 0.000 0.432 87 V N -0.232 119.412 119.914 -0.451 0.000 2.332 87 V HA -0.370 3.752 4.120 0.004 0.000 0.248 87 V C 2.399 178.322 176.094 -0.285 0.000 1.055 87 V CA 2.320 64.391 62.300 -0.382 0.000 1.038 87 V CB -1.036 30.605 31.823 -0.302 0.000 0.651 87 V HN 0.643 nan 8.190 nan 0.000 0.450 88 H N -0.432 118.502 119.070 -0.227 0.000 2.276 88 H HA -0.170 4.389 4.556 0.003 0.000 0.301 88 H C 2.237 177.494 175.328 -0.118 0.000 1.073 88 H CA 1.891 57.858 56.048 -0.135 0.000 1.311 88 H CB -0.278 29.470 29.762 -0.023 0.000 1.379 88 H HN 0.604 nan 8.280 nan 0.000 0.494 89 F N 0.687 120.672 119.950 0.058 0.000 2.365 89 F HA -0.036 4.492 4.527 0.003 0.000 0.300 89 F C 1.625 177.405 175.800 -0.034 0.000 1.090 89 F CA 0.783 58.788 58.000 0.007 0.000 1.408 89 F CB -0.731 38.278 39.000 0.015 0.000 1.060 89 F HN 0.007 nan 8.300 nan 0.000 0.534 90 L N 0.625 121.480 121.223 -0.613 0.000 2.492 90 L HA 0.212 4.554 4.340 0.004 0.000 0.223 90 L C 1.808 178.539 176.870 -0.231 0.000 1.132 90 L CA 0.390 54.970 54.840 -0.433 0.000 0.850 90 L CB -0.647 41.040 42.059 -0.620 0.000 0.966 90 L HN 0.287 nan 8.230 nan 0.000 0.454 91 A N 0.089 122.749 122.820 -0.268 0.000 3.074 91 A HA 0.180 4.502 4.320 0.004 0.000 0.251 91 A C 1.186 178.746 177.584 -0.040 0.000 1.695 91 A CA 0.174 51.954 52.037 -0.428 0.000 1.343 91 A CB -0.598 18.064 19.000 -0.562 0.000 1.078 91 A HN 0.338 nan 8.150 nan 0.000 0.644 92 S N -0.592 115.177 115.700 0.116 0.000 2.601 92 S HA 0.391 4.863 4.470 0.004 0.000 0.244 92 S C 0.829 175.528 174.600 0.165 0.000 1.001 92 S CA 0.077 58.361 58.200 0.141 0.000 0.984 92 S CB 0.077 63.333 63.200 0.094 0.000 0.842 92 S HN 0.730 nan 8.310 nan 0.000 0.474 93 G N 1.408 110.386 108.800 0.297 0.000 2.527 93 G HA2 0.534 4.496 3.960 0.004 0.000 0.248 93 G HA3 0.534 4.496 3.960 0.004 0.000 0.248 93 G C -0.171 174.690 174.900 -0.064 0.000 1.231 93 G CA 0.006 45.129 45.100 0.039 0.000 0.838 93 G HN 1.050 nan 8.290 nan 0.000 0.570 94 V N -1.264 118.608 119.914 -0.069 0.000 3.182 94 V HA 1.036 5.159 4.120 0.004 0.000 0.308 94 V C 0.519 176.574 176.094 -0.065 0.000 1.240 94 V CA -0.050 62.213 62.300 -0.061 0.000 1.063 94 V CB 1.144 32.955 31.823 -0.021 0.000 1.076 94 V HN 2.551 nan 8.190 nan 0.000 0.446 95 G N 0.637 109.408 108.800 -0.049 0.000 2.661 95 G HA2 0.086 4.048 3.960 0.004 0.000 0.685 95 G HA3 0.086 4.048 3.960 0.004 0.000 0.685 95 G C -3.125 171.749 174.900 -0.043 0.000 1.298 95 G CA -0.340 44.737 45.100 -0.038 0.000 0.855 95 G HN 1.004 nan 8.290 nan 0.000 0.560 96 P HA 0.403 nan 4.420 nan 0.000 0.269 96 P C 0.783 178.065 177.300 -0.030 0.000 1.209 96 P CA 0.010 63.098 63.100 -0.020 0.000 0.776 96 P CB 0.768 32.465 31.700 -0.004 0.000 0.876 97 V N 1.450 121.347 119.914 -0.027 0.000 3.051 97 V HA 0.162 4.284 4.120 0.004 0.000 0.306 97 V C 0.333 176.422 176.094 -0.009 0.000 1.083 97 V CA -0.580 61.700 62.300 -0.034 0.000 1.104 97 V CB -0.302 31.506 31.823 -0.025 0.000 1.027 97 V HN 0.253 nan 8.190 nan 0.000 0.483 98 L N 2.451 123.665 121.223 -0.014 0.000 2.461 98 L HA 0.279 4.621 4.340 0.004 0.000 0.272 98 L C 0.602 177.493 176.870 0.036 0.000 1.197 98 L CA -0.261 54.583 54.840 0.006 0.000 0.836 98 L CB 0.297 42.350 42.059 -0.010 0.000 1.105 98 L HN 1.028 nan 8.230 nan 0.000 0.477 99 D N -0.220 120.217 120.400 0.061 0.000 2.368 99 D HA -0.104 4.538 4.640 0.004 0.000 0.240 99 D C 0.709 177.101 176.300 0.154 0.000 1.169 99 D CA -0.451 53.618 54.000 0.114 0.000 0.906 99 D CB 0.542 41.414 40.800 0.120 0.000 1.187 99 D HN 0.544 nan 8.370 nan 0.000 0.435 100 W N 1.226 122.529 121.300 0.006 0.000 2.290 100 W HA -0.300 4.362 4.660 0.003 0.000 0.323 100 W C 2.158 178.671 176.519 -0.011 0.000 1.260 100 W CA 2.717 60.065 57.345 0.004 0.000 1.266 100 W CB -0.745 28.720 29.460 0.009 0.000 1.149 100 W HN 0.443 nan 8.180 nan 0.000 0.482 101 T N -0.350 114.342 114.554 0.229 0.000 2.746 101 T HA -0.205 4.147 4.350 0.004 0.000 0.267 101 T C 1.569 176.201 174.700 -0.114 0.000 1.039 101 T CA 2.289 64.377 62.100 -0.019 0.000 1.142 101 T CB -0.875 68.062 68.868 0.114 0.000 0.866 101 T HN 0.178 nan 8.240 nan 0.000 0.444 102 T N 1.974 116.517 114.554 -0.019 0.000 2.777 102 T HA 0.013 4.365 4.350 0.004 0.000 0.266 102 T C 2.417 177.075 174.700 -0.071 0.000 1.040 102 T CA 1.107 63.192 62.100 -0.024 0.000 1.141 102 T CB -0.526 68.355 68.868 0.022 0.000 0.868 102 T HN 0.421 nan 8.240 nan 0.000 0.444 103 A N 1.736 124.504 122.820 -0.088 0.000 1.902 103 A HA -0.112 4.210 4.320 0.004 0.000 0.217 103 A C 2.375 179.857 177.584 -0.170 0.000 1.181 103 A CA 1.416 53.387 52.037 -0.111 0.000 0.623 103 A CB -0.463 18.477 19.000 -0.100 0.000 0.818 103 A HN 0.404 nan 8.150 nan 0.000 0.443 104 R N -0.609 119.722 120.500 -0.280 0.000 2.092 104 R HA -0.005 4.337 4.340 0.004 0.000 0.231 104 R C 2.418 178.587 176.300 -0.219 0.000 1.119 104 R CA 1.067 56.973 56.100 -0.323 0.000 0.970 104 R CB -0.414 29.543 30.300 -0.571 0.000 0.864 104 R HN 0.501 nan 8.270 nan 0.000 0.440 105 A N 1.100 123.808 122.820 -0.187 0.000 1.972 105 A HA -0.183 4.139 4.320 0.004 0.000 0.219 105 A C 2.099 179.629 177.584 -0.089 0.000 1.169 105 A CA 1.292 53.254 52.037 -0.125 0.000 0.635 105 A CB -0.442 18.507 19.000 -0.084 0.000 0.810 105 A HN 0.337 nan 8.150 nan 0.000 0.446 106 M N -0.375 119.175 119.600 -0.084 0.000 2.132 106 M HA -0.101 4.381 4.480 0.004 0.000 0.263 106 M C 1.849 178.109 176.300 -0.066 0.000 1.065 106 M CA 1.874 57.137 55.300 -0.062 0.000 1.122 106 M CB -0.199 32.367 32.600 -0.056 0.000 1.365 106 M HN 0.184 nan 8.290 nan 0.000 0.411 107 V N 1.144 121.008 119.914 -0.084 0.000 2.295 107 V HA -0.273 3.849 4.120 0.004 0.000 0.246 107 V C 2.432 178.484 176.094 -0.069 0.000 1.049 107 V CA 1.716 63.971 62.300 -0.075 0.000 1.024 107 V CB -0.955 30.816 31.823 -0.088 0.000 0.648 107 V HN 0.584 nan 8.190 nan 0.000 0.447 108 L N 0.991 122.163 121.223 -0.084 0.000 2.046 108 L HA -0.098 4.244 4.340 0.004 0.000 0.208 108 L C 2.447 179.281 176.870 -0.061 0.000 1.077 108 L CA 2.399 57.194 54.840 -0.076 0.000 0.747 108 L CB -1.003 41.002 42.059 -0.091 0.000 0.896 108 L HN 0.220 nan 8.230 nan 0.000 0.432 109 A N -0.419 122.366 122.820 -0.058 0.000 1.908 109 A HA -0.268 4.054 4.320 0.004 0.000 0.218 109 A C 2.480 180.041 177.584 -0.038 0.000 1.181 109 A CA 1.885 53.894 52.037 -0.048 0.000 0.627 109 A CB -0.622 18.353 19.000 -0.042 0.000 0.818 109 A HN 0.497 nan 8.150 nan 0.000 0.445 110 R N -0.715 119.764 120.500 -0.034 0.000 2.092 110 R HA -0.061 4.281 4.340 0.004 0.000 0.231 110 R C 1.934 178.221 176.300 -0.021 0.000 1.119 110 R CA 1.438 57.524 56.100 -0.023 0.000 0.970 110 R CB -0.589 29.697 30.300 -0.023 0.000 0.864 110 R HN 0.440 nan 8.270 nan 0.000 0.440 111 L N -0.079 121.127 121.223 -0.028 0.000 2.017 111 L HA -0.110 4.232 4.340 0.004 0.000 0.208 111 L C 1.898 178.754 176.870 -0.022 0.000 1.073 111 L CA 1.677 56.503 54.840 -0.024 0.000 0.745 111 L CB -0.555 41.485 42.059 -0.031 0.000 0.894 111 L HN 0.066 nan 8.230 nan 0.000 0.432 112 V N -0.911 118.983 119.914 -0.033 0.000 2.343 112 V HA -0.280 3.842 4.120 0.004 0.000 0.247 112 V C 2.789 178.869 176.094 -0.024 0.000 1.051 112 V CA 1.845 64.124 62.300 -0.036 0.000 1.036 112 V CB -0.889 30.900 31.823 -0.056 0.000 0.654 112 V HN 0.665 nan 8.190 nan 0.000 0.451 113 S N -0.435 115.253 115.700 -0.021 0.000 2.368 113 S HA -0.136 4.336 4.470 0.004 0.000 0.225 113 S C 1.910 176.512 174.600 0.003 0.000 1.030 113 S CA 1.632 59.826 58.200 -0.011 0.000 0.999 113 S CB -0.332 62.863 63.200 -0.008 0.000 0.844 113 S HN 0.532 nan 8.310 nan 0.000 0.459 114 I N 1.562 122.136 120.570 0.007 0.000 2.252 114 I HA -0.098 4.075 4.170 0.004 0.000 0.245 114 I C 2.723 178.851 176.117 0.019 0.000 1.102 114 I CA 0.999 62.311 61.300 0.020 0.000 1.385 114 I CB -0.490 37.520 38.000 0.017 0.000 1.064 114 I HN 0.370 nan 8.210 nan 0.000 0.414 115 A N 0.140 122.964 122.820 0.007 0.000 2.131 115 A HA -0.203 4.119 4.320 0.004 0.000 0.220 115 A C 2.086 179.677 177.584 0.012 0.000 1.158 115 A CA 1.168 53.209 52.037 0.006 0.000 0.665 115 A CB -0.356 18.642 19.000 -0.003 0.000 0.795 115 A HN 0.409 nan 8.150 nan 0.000 0.460 116 Q N -1.101 118.707 119.800 0.013 0.000 2.437 116 Q HA 0.037 4.379 4.340 0.004 0.000 0.210 116 Q C 1.264 177.279 176.000 0.026 0.000 0.972 116 Q CA 0.835 56.648 55.803 0.016 0.000 0.903 116 Q CB -0.630 28.115 28.738 0.011 0.000 0.967 116 Q HN 1.067 nan 8.270 nan 0.000 0.486 117 G N 0.417 109.238 108.800 0.034 0.000 2.212 117 G HA2 -0.202 3.761 3.960 0.004 0.000 0.255 117 G HA3 -0.202 3.761 3.960 0.004 0.000 0.255 117 G C 0.439 175.382 174.900 0.071 0.000 1.062 117 G CA 0.417 45.544 45.100 0.046 0.000 0.815 117 G HN 0.532 nan 8.290 nan 0.000 0.497 118 A N -1.093 121.780 122.820 0.088 0.000 2.635 118 A HA 0.741 5.063 4.320 0.004 0.000 0.279 118 A C 1.584 179.293 177.584 0.208 0.000 1.122 118 A CA 1.359 53.472 52.037 0.127 0.000 0.965 118 A CB 0.310 19.344 19.000 0.056 0.000 1.221 118 A HN 0.745 nan 8.150 nan 0.000 0.566 119 S N -1.262 114.567 115.700 0.215 0.000 2.506 119 S HA 0.375 4.848 4.470 0.004 0.000 0.219 119 S C 1.500 176.315 174.600 0.357 0.000 1.031 119 S CA 0.730 59.094 58.200 0.273 0.000 0.911 119 S CB 0.463 63.748 63.200 0.141 0.000 0.812 119 S HN 1.679 nan 8.310 nan 0.000 0.497 120 G N 1.890 110.807 108.800 0.196 0.000 2.143 120 G HA2 -0.205 3.757 3.960 0.004 0.000 0.249 120 G HA3 -0.205 3.757 3.960 0.004 0.000 0.249 120 G C 0.201 175.128 174.900 0.044 0.000 0.981 120 G CA 0.017 45.138 45.100 0.033 0.000 0.665 120 G HN 0.869 nan 8.290 nan 0.000 0.528 121 A N 0.398 123.256 122.820 0.064 0.000 2.498 121 A HA 0.629 4.951 4.320 0.004 0.000 0.239 121 A C 1.171 178.761 177.584 0.009 0.000 1.068 121 A CA 0.985 53.044 52.037 0.037 0.000 0.766 121 A CB 0.218 19.238 19.000 0.034 0.000 1.003 121 A HN 2.018 nan 8.150 nan 0.000 0.497 122 S N 1.595 117.286 115.700 -0.015 0.000 2.593 122 S HA 0.168 4.640 4.470 0.004 0.000 0.269 122 S C 0.701 175.286 174.600 -0.025 0.000 1.334 122 S CA 0.121 58.299 58.200 -0.037 0.000 1.015 122 S CB 0.714 63.867 63.200 -0.080 0.000 0.912 122 S HN 0.720 nan 8.310 nan 0.000 0.541 123 E N 1.683 121.867 120.200 -0.026 0.000 2.085 123 E HA -0.114 4.238 4.350 0.004 0.000 0.194 123 E C 2.175 178.763 176.600 -0.020 0.000 0.994 123 E CA 1.178 57.567 56.400 -0.019 0.000 0.801 123 E CB -0.763 28.926 29.700 -0.018 0.000 0.743 123 E HN 0.900 nan 8.360 nan 0.000 0.453 124 G N 0.502 109.285 108.800 -0.028 0.000 2.446 124 G HA2 -0.285 3.677 3.960 0.004 0.000 0.217 124 G HA3 -0.285 3.677 3.960 0.004 0.000 0.217 124 G C 1.651 176.539 174.900 -0.020 0.000 1.168 124 G CA 1.343 46.428 45.100 -0.025 0.000 0.771 124 G HN 0.194 nan 8.290 nan 0.000 0.551 125 T N 1.149 115.690 114.554 -0.023 0.000 2.746 125 T HA -0.016 4.336 4.350 0.004 0.000 0.267 125 T C 2.392 177.085 174.700 -0.011 0.000 1.039 125 T CA 0.850 62.940 62.100 -0.016 0.000 1.142 125 T CB -0.141 68.717 68.868 -0.016 0.000 0.866 125 T HN 0.240 nan 8.240 nan 0.000 0.444 126 I N 1.236 121.800 120.570 -0.010 0.000 2.226 126 I HA -0.184 3.989 4.170 0.004 0.000 0.245 126 I C 2.871 178.983 176.117 -0.009 0.000 1.100 126 I CA 1.079 62.375 61.300 -0.008 0.000 1.374 126 I CB -0.432 37.565 38.000 -0.006 0.000 1.057 126 I HN 0.189 nan 8.210 nan 0.000 0.413 127 A N 0.760 123.574 122.820 -0.010 0.000 1.933 127 A HA -0.183 4.139 4.320 0.004 0.000 0.218 127 A C 2.319 179.899 177.584 -0.007 0.000 1.175 127 A CA 1.280 53.311 52.037 -0.009 0.000 0.628 127 A CB -0.409 18.585 19.000 -0.010 0.000 0.814 127 A HN 0.263 nan 8.150 nan 0.000 0.444 128 R N -0.188 120.310 120.500 -0.004 0.000 2.096 128 R HA -0.029 4.313 4.340 0.004 0.000 0.235 128 R C 1.994 178.298 176.300 0.006 0.000 1.127 128 R CA 1.139 57.242 56.100 0.005 0.000 0.968 128 R CB -0.958 29.347 30.300 0.009 0.000 0.861 128 R HN 0.595 nan 8.270 nan 0.000 0.440 129 L N 0.155 121.376 121.223 -0.004 0.000 2.056 129 L HA -0.085 4.258 4.340 0.004 0.000 0.207 129 L C 2.476 179.335 176.870 -0.018 0.000 1.078 129 L CA 1.072 55.905 54.840 -0.011 0.000 0.749 129 L CB -0.451 41.597 42.059 -0.018 0.000 0.901 129 L HN 0.058 nan 8.230 nan 0.000 0.433 130 I N -0.091 120.469 120.570 -0.016 0.000 2.179 130 I HA -0.283 3.889 4.170 0.004 0.000 0.242 130 I C 2.157 178.264 176.117 -0.017 0.000 1.088 130 I CA 1.176 62.464 61.300 -0.019 0.000 1.357 130 I CB -0.396 37.595 38.000 -0.015 0.000 1.051 130 I HN 0.247 nan 8.210 nan 0.000 0.409 131 D N 0.832 121.226 120.400 -0.011 0.000 2.104 131 D HA -0.190 4.452 4.640 0.004 0.000 0.194 131 D C 2.147 178.442 176.300 -0.008 0.000 0.994 131 D CA 1.031 55.026 54.000 -0.009 0.000 0.830 131 D CB -0.395 40.401 40.800 -0.008 0.000 0.959 131 D HN 0.144 nan 8.370 nan 0.000 0.452 132 L N 0.799 122.022 121.223 0.001 0.000 2.012 132 L HA -0.164 4.178 4.340 0.004 0.000 0.210 132 L C 2.147 179.001 176.870 -0.027 0.000 1.073 132 L CA 1.462 56.309 54.840 0.011 0.000 0.748 132 L CB -0.873 41.209 42.059 0.038 0.000 0.891 132 L HN 0.109 nan 8.230 nan 0.000 0.431 133 L N -0.045 121.149 121.223 -0.048 0.000 2.201 133 L HA -0.175 4.167 4.340 0.004 0.000 0.212 133 L C 1.932 178.773 176.870 -0.048 0.000 1.105 133 L CA 0.703 55.496 54.840 -0.079 0.000 0.775 133 L CB -0.530 41.482 42.059 -0.078 0.000 0.913 133 L HN 0.352 nan 8.230 nan 0.000 0.440 134 N N -0.584 118.103 118.700 -0.022 0.000 2.412 134 N HA -0.011 4.731 4.740 0.004 0.000 0.184 134 N C 0.934 176.453 175.510 0.016 0.000 1.101 134 N CA 0.382 53.430 53.050 -0.003 0.000 0.881 134 N CB 0.202 38.687 38.487 -0.004 0.000 0.969 134 N HN 0.328 nan 8.380 nan 0.000 0.459 135 S N 0.073 115.783 115.700 0.017 0.000 2.686 135 S HA 0.267 4.739 4.470 0.004 0.000 0.270 135 S C 0.656 175.323 174.600 0.112 0.000 1.194 135 S CA -0.525 57.698 58.200 0.039 0.000 0.990 135 S CB 1.221 64.427 63.200 0.010 0.000 1.029 135 S HN 0.071 nan 8.310 nan 0.000 0.560 136 E N -0.002 120.294 120.200 0.160 0.000 2.451 136 E HA 0.314 4.666 4.350 0.004 0.000 0.194 136 E C -0.414 176.494 176.600 0.513 0.000 1.027 136 E CA -0.077 56.520 56.400 0.328 0.000 0.914 136 E CB -0.046 29.759 29.700 0.174 0.000 1.054 136 E HN 0.442 nan 8.360 nan 0.000 0.461 137 L N 0.310 121.736 121.223 0.339 0.000 2.304 137 L HA 0.774 5.116 4.340 0.004 0.000 0.268 137 L C -0.175 176.809 176.870 0.191 0.000 1.010 137 L CA -1.133 53.940 54.840 0.388 0.000 0.813 137 L CB 1.543 43.714 42.059 0.186 0.000 1.315 137 L HN -0.082 nan 8.230 nan 0.000 0.445 138 A N 1.044 124.000 122.820 0.227 0.000 2.515 138 A HA 0.806 5.128 4.320 0.004 0.000 0.298 138 A C -2.791 174.860 177.584 0.112 0.000 1.059 138 A CA -1.433 50.586 52.037 -0.032 0.000 0.698 138 A CB 1.841 20.632 19.000 -0.348 0.000 1.289 138 A HN 0.366 nan 8.150 nan 0.000 0.404 139 P HA 0.354 nan 4.420 nan 0.000 0.275 139 P C -0.321 176.875 177.300 -0.172 0.000 1.228 139 P CA 0.108 63.034 63.100 -0.289 0.000 0.786 139 P CB 1.221 32.759 31.700 -0.270 0.000 0.927 140 A N 3.468 126.163 122.820 -0.208 0.000 2.391 140 A HA 0.466 4.788 4.320 0.004 0.000 0.316 140 A C -0.191 177.326 177.584 -0.111 0.000 1.381 140 A CA -0.414 51.564 52.037 -0.097 0.000 0.998 140 A CB -0.312 18.652 19.000 -0.060 0.000 1.147 140 A HN 0.357 nan 8.150 nan 0.000 0.545 141 V N 5.584 125.439 119.914 -0.099 0.000 2.604 141 V HA 0.442 4.564 4.120 0.004 0.000 0.305 141 V C -2.191 173.804 176.094 -0.165 0.000 1.043 141 V CA -1.777 60.447 62.300 -0.127 0.000 0.888 141 V CB 2.160 33.937 31.823 -0.077 0.000 0.995 141 V HN 0.806 nan 8.190 nan 0.000 0.429 142 P HA 0.088 nan 4.420 nan 0.000 0.268 142 P C 0.630 177.840 177.300 -0.149 0.000 1.205 142 P CA 0.038 62.995 63.100 -0.240 0.000 0.771 142 P CB 1.063 32.539 31.700 -0.373 0.000 0.858 143 S N 2.586 118.234 115.700 -0.086 0.000 2.496 143 S HA 0.038 4.510 4.470 0.004 0.000 0.224 143 S C 0.826 175.406 174.600 -0.033 0.000 0.996 143 S CA 0.050 58.222 58.200 -0.046 0.000 0.927 143 S CB -0.086 63.100 63.200 -0.022 0.000 0.774 143 S HN 0.408 nan 8.310 nan 0.000 0.524 144 R N -0.314 120.162 120.500 -0.041 0.000 2.732 144 R HA 0.631 4.973 4.340 0.004 0.000 0.278 144 R C 0.714 177.006 176.300 -0.014 0.000 0.976 144 R CA -0.040 56.048 56.100 -0.019 0.000 0.963 144 R CB 1.612 31.904 30.300 -0.013 0.000 1.150 144 R HN 0.314 nan 8.270 nan 0.000 0.478 145 G N 0.231 109.035 108.800 0.007 0.000 2.813 145 G HA2 -0.207 3.756 3.960 0.004 0.000 0.194 145 G HA3 -0.207 3.756 3.960 0.004 0.000 0.194 145 G C 0.052 174.969 174.900 0.029 0.000 1.010 145 G CA -0.075 45.038 45.100 0.022 0.000 0.771 145 G HN 0.597 nan 8.290 nan 0.000 0.485 146 T N 0.676 115.244 114.554 0.024 0.000 2.902 146 T HA 0.530 4.882 4.350 0.004 0.000 0.283 146 T C 1.421 176.140 174.700 0.032 0.000 1.009 146 T CA 0.438 62.553 62.100 0.026 0.000 1.051 146 T CB 1.667 70.547 68.868 0.020 0.000 0.999 146 T HN 1.138 nan 8.240 nan 0.000 0.474 147 V N 1.290 121.226 119.914 0.037 0.000 3.444 147 V HA 0.594 4.717 4.120 0.004 0.000 0.308 147 V C 1.157 177.285 176.094 0.057 0.000 1.371 147 V CA 0.231 62.559 62.300 0.047 0.000 1.141 147 V CB -1.365 30.488 31.823 0.050 0.000 1.037 147 V HN 1.365 nan 8.190 nan 0.000 0.433 153 L N -0.216 120.980 121.223 -0.046 0.000 1.990 153 L HA -0.201 4.141 4.340 0.004 0.000 0.213 153 L C 2.383 179.206 176.870 -0.078 0.000 1.072 153 L CA 1.766 56.553 54.840 -0.089 0.000 0.755 153 L CB -0.952 41.036 42.059 -0.118 0.000 0.889 153 L HN 0.117 nan 8.230 nan 0.000 0.432 154 T N 0.385 114.921 114.554 -0.029 0.000 2.595 154 T HA -0.124 4.228 4.350 0.004 0.000 0.264 154 T C -0.377 174.394 174.700 0.118 0.000 1.058 154 T CA 1.898 64.019 62.100 0.035 0.000 1.166 154 T CB -1.490 67.418 68.868 0.066 0.000 0.863 154 T HN 0.335 nan 8.240 nan 0.000 0.415 155 P HA -0.020 nan 4.420 nan 0.000 0.216 155 P C 1.635 178.958 177.300 0.039 0.000 1.150 155 P CA 1.091 64.226 63.100 0.058 0.000 0.837 155 P CB -0.259 31.443 31.700 0.004 0.000 0.786 156 L N -0.705 120.514 121.223 -0.007 0.000 2.141 156 L HA -0.084 4.258 4.340 0.004 0.000 0.209 156 L C 2.814 179.642 176.870 -0.070 0.000 1.094 156 L CA 1.317 56.133 54.840 -0.039 0.000 0.763 156 L CB -1.039 40.990 42.059 -0.050 0.000 0.908 156 L HN -0.054 nan 8.230 nan 0.000 0.437 157 A N -0.939 121.818 122.820 -0.105 0.000 1.933 157 A HA -0.224 4.098 4.320 0.004 0.000 0.218 157 A C 2.124 179.586 177.584 -0.203 0.000 1.175 157 A CA 1.309 53.227 52.037 -0.198 0.000 0.628 157 A CB -0.710 18.114 19.000 -0.293 0.000 0.814 157 A HN 0.409 nan 8.150 nan 0.000 0.444 158 H N -1.207 117.802 119.070 -0.102 0.000 2.389 158 H HA -0.085 4.473 4.556 0.004 0.000 0.299 158 H C 2.100 177.355 175.328 -0.121 0.000 1.081 158 H CA 1.736 57.725 56.048 -0.098 0.000 1.345 158 H CB -0.247 29.463 29.762 -0.087 0.000 1.393 158 H HN 0.615 nan 8.280 nan 0.000 0.520 159 M N 0.655 120.250 119.600 -0.009 0.000 2.117 159 M HA -0.147 4.335 4.480 0.004 0.000 0.262 159 M C 2.016 178.263 176.300 -0.088 0.000 1.065 159 M CA 1.314 56.571 55.300 -0.072 0.000 1.114 159 M CB -0.083 32.480 32.600 -0.061 0.000 1.361 159 M HN -0.013 nan 8.290 nan 0.000 0.408 160 V N 1.271 121.135 119.914 -0.084 0.000 2.295 160 V HA -0.292 3.830 4.120 0.004 0.000 0.246 160 V C 2.449 178.498 176.094 -0.075 0.000 1.049 160 V CA 1.778 64.031 62.300 -0.080 0.000 1.024 160 V CB -0.777 30.986 31.823 -0.101 0.000 0.648 160 V HN 0.547 nan 8.190 nan 0.000 0.447 161 L N -0.733 120.436 121.223 -0.090 0.000 2.042 161 L HA -0.242 4.100 4.340 0.004 0.000 0.210 161 L C 2.666 179.497 176.870 -0.065 0.000 1.076 161 L CA 1.687 56.489 54.840 -0.064 0.000 0.749 161 L CB -0.815 41.201 42.059 -0.071 0.000 0.893 161 L HN 0.408 nan 8.230 nan 0.000 0.432 162 C N -0.128 119.090 119.300 -0.137 0.000 2.432 162 C HA -0.155 4.307 4.460 0.004 0.000 0.277 162 C C 2.639 177.540 174.990 -0.149 0.000 1.249 162 C CA 0.436 59.272 59.018 -0.303 0.000 1.725 162 C CB -0.869 26.532 27.740 -0.565 0.000 2.028 162 C HN 0.444 nan 8.230 nan 0.000 0.477 163 L N 0.309 121.504 121.223 -0.046 0.000 2.456 163 L HA -0.137 4.205 4.340 0.004 0.000 0.224 163 L C 2.339 179.274 176.870 0.109 0.000 1.148 163 L CA 1.150 56.058 54.840 0.113 0.000 0.825 163 L CB -0.620 41.471 42.059 0.052 0.000 0.937 163 L HN 0.534 nan 8.230 nan 0.000 0.450 164 Q N -0.483 119.354 119.800 0.062 0.000 2.319 164 Q HA 0.140 4.482 4.340 0.004 0.000 0.202 164 Q C 1.314 177.365 176.000 0.084 0.000 0.896 164 Q CA 0.477 56.312 55.803 0.053 0.000 0.942 164 Q CB 0.771 29.521 28.738 0.020 0.000 1.083 164 Q HN 0.520 nan 8.270 nan 0.000 0.510 165 G N 1.728 110.611 108.800 0.140 0.000 2.132 165 G HA2 -0.301 3.661 3.960 0.004 0.000 0.234 165 G HA3 -0.301 3.661 3.960 0.004 0.000 0.234 165 G C 0.477 175.443 174.900 0.110 0.000 0.989 165 G CA 0.022 45.227 45.100 0.175 0.000 0.676 165 G HN 0.298 nan 8.290 nan 0.000 0.522 166 R N 0.066 120.604 120.500 0.064 0.000 2.552 166 R HA 0.477 4.819 4.340 0.004 0.000 0.314 166 R C 0.960 177.270 176.300 0.015 0.000 1.041 166 R CA 0.482 56.605 56.100 0.040 0.000 1.076 166 R CB 0.817 31.139 30.300 0.036 0.000 1.290 166 R HN 0.536 nan 8.270 nan 0.000 0.563 167 G N -0.326 108.472 108.800 -0.003 0.000 2.698 167 G HA2 0.220 4.183 3.960 0.004 0.000 0.293 167 G HA3 0.220 4.183 3.960 0.004 0.000 0.293 167 G C -1.484 173.363 174.900 -0.088 0.000 1.437 167 G CA -0.676 44.392 45.100 -0.052 0.000 0.852 167 G HN -0.118 nan 8.290 nan 0.000 0.499 168 D N -0.477 119.880 120.400 -0.072 0.000 2.360 168 D HA 0.560 5.202 4.640 0.004 0.000 0.242 168 D C -0.475 175.725 176.300 -0.166 0.000 1.184 168 D CA 0.556 54.547 54.000 -0.015 0.000 0.930 168 D CB 0.921 41.732 40.800 0.019 0.000 1.161 168 D HN 0.099 nan 8.370 nan 0.000 0.447 169 F N -0.596 119.380 119.950 0.042 0.000 2.598 169 F HA 0.509 5.038 4.527 0.004 0.000 0.327 169 F C -0.158 175.689 175.800 0.080 0.000 1.057 169 F CA -0.918 57.115 58.000 0.056 0.000 0.957 169 F CB 1.229 40.263 39.000 0.055 0.000 1.278 169 F HN -0.077 nan 8.300 nan 0.000 0.484 170 L N 1.793 123.219 121.223 0.338 0.000 2.365 170 L HA 0.411 4.753 4.340 0.004 0.000 0.273 170 L C -0.917 176.179 176.870 0.377 0.000 1.000 170 L CA -1.041 53.977 54.840 0.296 0.000 0.819 170 L CB 1.780 44.021 42.059 0.302 0.000 1.284 170 L HN 0.586 nan 8.230 nan 0.000 0.418 171 D N 2.043 122.562 120.400 0.198 0.000 2.388 171 D HA 0.193 4.836 4.640 0.004 0.000 0.254 171 D C 0.819 176.986 176.300 -0.223 0.000 1.111 171 D CA -0.595 53.454 54.000 0.082 0.000 0.993 171 D CB 1.028 41.831 40.800 0.004 0.000 1.118 171 D HN 0.379 nan 8.370 nan 0.000 0.502 172 R N -0.233 119.885 120.500 -0.638 0.000 2.154 172 R HA -0.150 4.192 4.340 0.004 0.000 0.248 172 R C 0.946 176.863 176.300 -0.638 0.000 1.155 172 R CA 1.758 57.082 56.100 -1.293 0.000 0.979 172 R CB -0.222 29.466 30.300 -1.019 0.000 0.869 172 R HN 0.565 nan 8.270 nan 0.000 0.452 173 D N -1.359 118.848 120.400 -0.322 0.000 2.347 173 D HA 0.013 4.655 4.640 0.004 0.000 0.215 173 D C 1.299 177.550 176.300 -0.082 0.000 0.976 173 D CA 1.190 55.089 54.000 -0.169 0.000 0.884 173 D CB 0.536 41.269 40.800 -0.112 0.000 0.915 173 D HN 0.506 nan 8.370 nan 0.000 0.526 174 G N 1.266 110.037 108.800 -0.048 0.000 2.194 174 G HA2 -0.267 3.695 3.960 0.004 0.000 0.236 174 G HA3 -0.267 3.695 3.960 0.004 0.000 0.236 174 G C 0.666 175.589 174.900 0.039 0.000 0.987 174 G CA 0.407 45.527 45.100 0.034 0.000 0.635 174 G HN 0.436 nan 8.290 nan 0.000 0.520 175 T N -0.194 114.370 114.554 0.018 0.000 2.888 175 T HA 0.551 4.903 4.350 0.004 0.000 0.301 175 T C 0.554 175.288 174.700 0.058 0.000 1.001 175 T CA -0.034 62.082 62.100 0.026 0.000 1.147 175 T CB 1.113 69.987 68.868 0.010 0.000 0.931 175 T HN 0.529 nan 8.240 nan 0.000 0.541 176 R N 2.289 122.824 120.500 0.058 0.000 2.410 176 R HA 0.614 4.956 4.340 0.004 0.000 0.288 176 R C -0.284 176.067 176.300 0.085 0.000 1.051 176 R CA -0.669 55.480 56.100 0.080 0.000 1.021 176 R CB 0.784 31.120 30.300 0.060 0.000 1.032 176 R HN 0.611 nan 8.270 nan 0.000 0.481 177 L N 1.632 122.931 121.223 0.127 0.000 2.370 177 L HA 0.350 4.692 4.340 0.004 0.000 0.266 177 L C -0.344 176.621 176.870 0.158 0.000 1.002 177 L CA -1.290 53.625 54.840 0.124 0.000 0.818 177 L CB 2.009 44.146 42.059 0.131 0.000 1.325 177 L HN 0.676 nan 8.230 nan 0.000 0.418 178 D N 0.679 121.152 120.400 0.121 0.000 2.377 178 D HA 0.164 4.806 4.640 0.004 0.000 0.245 178 D C 1.238 177.661 176.300 0.205 0.000 1.196 178 D CA -0.110 53.966 54.000 0.127 0.000 0.962 178 D CB 0.881 41.728 40.800 0.080 0.000 1.127 178 D HN 0.576 nan 8.370 nan 0.000 0.471 179 G N -0.165 108.756 108.800 0.202 0.000 2.491 179 G HA2 -0.275 3.687 3.960 0.004 0.000 0.218 179 G HA3 -0.275 3.687 3.960 0.004 0.000 0.218 179 G C 1.514 176.543 174.900 0.215 0.000 1.180 179 G CA 1.665 46.941 45.100 0.293 0.000 0.774 179 G HN 0.691 nan 8.290 nan 0.000 0.562 180 A N 0.668 123.557 122.820 0.115 0.000 1.908 180 A HA -0.084 4.238 4.320 0.004 0.000 0.218 180 A C 2.222 179.819 177.584 0.022 0.000 1.181 180 A CA 2.375 54.447 52.037 0.059 0.000 0.627 180 A CB -0.467 18.558 19.000 0.042 0.000 0.818 180 A HN 0.435 nan 8.150 nan 0.000 0.445 181 E N 0.054 120.272 120.200 0.031 0.000 2.150 181 E HA -0.016 4.336 4.350 0.004 0.000 0.193 181 E C 1.937 178.495 176.600 -0.071 0.000 0.985 181 E CA 1.461 57.859 56.400 -0.004 0.000 0.814 181 E CB -0.785 28.928 29.700 0.022 0.000 0.752 181 E HN 0.400 nan 8.360 nan 0.000 0.466 182 G N 0.740 109.484 108.800 -0.094 0.000 2.404 182 G HA2 -0.205 3.758 3.960 0.004 0.000 0.215 182 G HA3 -0.205 3.758 3.960 0.004 0.000 0.215 182 G C 1.595 176.117 174.900 -0.630 0.000 1.174 182 G CA 0.859 45.658 45.100 -0.502 0.000 0.780 182 G HN 0.300 nan 8.290 nan 0.000 0.537 183 L N -0.287 120.715 121.223 -0.368 0.000 2.046 183 L HA -0.063 4.279 4.340 0.004 0.000 0.208 183 L C 3.202 179.975 176.870 -0.161 0.000 1.077 183 L CA 1.126 55.827 54.840 -0.231 0.000 0.747 183 L CB -0.401 41.619 42.059 -0.065 0.000 0.896 183 L HN 0.169 nan 8.230 nan 0.000 0.432 184 R N -0.271 120.160 120.500 -0.115 0.000 2.070 184 R HA -0.166 4.176 4.340 0.004 0.000 0.232 184 R C 2.469 178.716 176.300 -0.088 0.000 1.138 184 R CA 1.497 57.550 56.100 -0.077 0.000 0.936 184 R CB -0.384 29.887 30.300 -0.048 0.000 0.839 184 R HN 0.208 nan 8.270 nan 0.000 0.429 185 R N 0.087 120.525 120.500 -0.103 0.000 2.081 185 R HA -0.103 4.239 4.340 0.004 0.000 0.235 185 R C 2.044 178.285 176.300 -0.097 0.000 1.131 185 R CA 1.738 57.786 56.100 -0.087 0.000 0.960 185 R CB -0.379 29.875 30.300 -0.077 0.000 0.856 185 R HN 0.363 nan 8.270 nan 0.000 0.436 186 G N -0.487 108.217 108.800 -0.161 0.000 2.813 186 G HA2 -0.075 3.887 3.960 0.004 0.000 0.209 186 G HA3 -0.075 3.887 3.960 0.004 0.000 0.209 186 G C -0.171 174.669 174.900 -0.100 0.000 1.150 186 G CA -0.173 44.845 45.100 -0.136 0.000 0.785 186 G HN 0.345 nan 8.290 nan 0.000 0.535 187 R N -1.102 119.341 120.500 -0.096 0.000 3.209 187 R HA -0.127 4.215 4.340 0.004 0.000 0.252 187 R C -0.848 175.414 176.300 -0.062 0.000 0.958 187 R CA 0.322 56.383 56.100 -0.065 0.000 0.651 187 R CB -2.243 28.032 30.300 -0.042 0.000 1.142 187 R HN 0.336 nan 8.270 nan 0.000 0.441 188 L N 0.743 121.916 121.223 -0.082 0.000 2.346 188 L HA 0.397 4.739 4.340 0.004 0.000 0.276 188 L C 0.613 177.464 176.870 -0.033 0.000 1.006 188 L CA -0.878 53.927 54.840 -0.058 0.000 0.817 188 L CB 1.986 43.995 42.059 -0.082 0.000 1.272 188 L HN 0.117 nan 8.230 nan 0.000 0.421 189 Q N 3.426 123.219 119.800 -0.013 0.000 2.230 189 Q HA 0.345 4.688 4.340 0.004 0.000 0.248 189 Q C -2.230 173.778 176.000 0.013 0.000 0.915 189 Q CA -1.844 53.956 55.803 -0.004 0.000 0.900 189 Q CB 1.291 30.026 28.738 -0.006 0.000 1.229 189 Q HN 0.340 nan 8.270 nan 0.000 0.439 190 P HA -0.061 nan 4.420 nan 0.000 0.268 190 P C -0.702 176.610 177.300 0.020 0.000 1.205 190 P CA -0.333 62.786 63.100 0.032 0.000 0.771 190 P CB 0.573 32.289 31.700 0.027 0.000 0.858 191 L N 3.030 124.268 121.223 0.025 0.000 2.462 191 L HA 0.120 4.462 4.340 0.004 0.000 0.272 191 L C 0.165 177.032 176.870 -0.006 0.000 1.166 191 L CA 0.733 55.578 54.840 0.007 0.000 0.880 191 L CB -0.628 41.433 42.059 0.004 0.000 1.142 191 L HN 0.318 nan 8.230 nan 0.000 0.473 192 D N 4.980 125.370 120.400 -0.016 0.000 2.432 192 D HA 0.247 4.889 4.640 0.004 0.000 0.265 192 D C -0.719 175.558 176.300 -0.037 0.000 1.160 192 D CA -0.297 53.688 54.000 -0.025 0.000 0.911 192 D CB 0.167 40.952 40.800 -0.026 0.000 1.052 192 D HN 0.461 nan 8.370 nan 0.000 0.508 193 L N 2.082 123.283 121.223 -0.037 0.000 2.455 193 L HA 0.281 4.623 4.340 0.004 0.000 0.272 193 L C 0.689 177.529 176.870 -0.050 0.000 1.174 193 L CA -0.102 54.714 54.840 -0.041 0.000 0.869 193 L CB 0.962 42.999 42.059 -0.038 0.000 1.130 193 L HN 0.291 nan 8.230 nan 0.000 0.474 194 S N 1.703 117.360 115.700 -0.072 0.000 2.568 194 S HA 0.495 4.967 4.470 0.004 0.000 0.293 194 S C 0.026 174.601 174.600 -0.042 0.000 1.089 194 S CA -0.372 57.746 58.200 -0.136 0.000 0.945 194 S CB 0.764 63.778 63.200 -0.311 0.000 1.077 194 S HN 0.946 nan 8.310 nan 0.000 0.485 195 H N 1.689 120.754 119.070 -0.007 0.000 1.452 195 H HA -0.281 4.277 4.556 0.003 0.000 0.090 195 H C 1.008 176.348 175.328 0.021 0.000 0.985 195 H CA 1.663 57.709 56.048 -0.004 0.000 1.901 195 H CB -0.641 29.104 29.762 -0.029 0.000 2.257 195 H HN 0.788 nan 8.280 nan 0.000 0.961 196 R N 1.961 122.579 120.500 0.196 0.000 2.515 196 R HA 0.075 4.417 4.340 0.004 0.000 0.294 196 R C 0.117 176.486 176.300 0.116 0.000 1.021 196 R CA 0.567 56.761 56.100 0.156 0.000 1.081 196 R CB 0.362 30.788 30.300 0.209 0.000 1.263 196 R HN 0.308 nan 8.270 nan 0.000 0.557 197 D N 2.377 122.823 120.400 0.077 0.000 2.158 197 D HA -0.210 4.432 4.640 0.004 0.000 0.197 197 D C 1.907 178.218 176.300 0.018 0.000 0.995 197 D CA 1.936 55.960 54.000 0.039 0.000 0.846 197 D CB -0.112 40.690 40.800 0.004 0.000 0.941 197 D HN 0.460 nan 8.370 nan 0.000 0.456 198 A N 0.592 123.415 122.820 0.005 0.000 1.873 198 A HA -0.188 4.134 4.320 0.004 0.000 0.218 198 A C 2.218 179.775 177.584 -0.046 0.000 1.193 198 A CA 1.312 53.324 52.037 -0.042 0.000 0.629 198 A CB -0.859 18.107 19.000 -0.058 0.000 0.826 198 A HN 0.250 nan 8.150 nan 0.000 0.447 199 L N -0.592 120.638 121.223 0.012 0.000 2.056 199 L HA -0.006 4.336 4.340 0.004 0.000 0.207 199 L C 2.797 179.695 176.870 0.046 0.000 1.078 199 L CA 1.911 56.768 54.840 0.029 0.000 0.749 199 L CB -0.693 41.452 42.059 0.142 0.000 0.901 199 L HN 0.376 nan 8.230 nan 0.000 0.433 200 A N -0.560 122.304 122.820 0.073 0.000 1.883 200 A HA -0.209 4.113 4.320 0.004 0.000 0.217 200 A C 2.209 179.811 177.584 0.030 0.000 1.186 200 A CA 2.080 54.160 52.037 0.072 0.000 0.624 200 A CB -0.972 18.083 19.000 0.092 0.000 0.822 200 A HN 0.460 nan 8.150 nan 0.000 0.444 201 L N -0.957 120.268 121.223 0.004 0.000 2.362 201 L HA -0.068 4.274 4.340 0.004 0.000 0.219 201 L C 1.945 178.793 176.870 -0.037 0.000 1.134 201 L CA 0.447 55.276 54.840 -0.019 0.000 0.807 201 L CB -0.060 41.979 42.059 -0.033 0.000 0.927 201 L HN 0.268 nan 8.230 nan 0.000 0.447 202 V N -1.692 118.193 119.914 -0.047 0.000 3.455 202 V HA 0.071 4.193 4.120 0.004 0.000 0.250 202 V C 0.927 176.989 176.094 -0.053 0.000 1.230 202 V CA 0.329 62.584 62.300 -0.075 0.000 1.105 202 V CB 0.188 31.923 31.823 -0.147 0.000 0.850 202 V HN 0.302 nan 8.190 nan 0.000 0.461 203 N N 1.392 120.083 118.700 -0.015 0.000 2.802 203 N HA 0.299 5.042 4.740 0.004 0.000 0.288 203 N C 0.123 175.686 175.510 0.089 0.000 1.268 203 N CA 0.431 53.490 53.050 0.014 0.000 1.035 203 N CB 0.115 38.634 38.487 0.054 0.000 1.353 203 N HN 0.499 nan 8.380 nan 0.000 0.522 204 G N -1.883 106.956 108.800 0.065 0.000 3.086 204 G HA2 0.285 4.247 3.960 0.004 0.000 0.282 204 G HA3 0.285 4.247 3.960 0.004 0.000 0.282 204 G C 0.107 175.051 174.900 0.074 0.000 1.343 204 G CA -0.442 44.710 45.100 0.087 0.000 0.895 204 G HN 0.178 nan 8.290 nan 0.000 0.557 205 T N -2.236 112.350 114.554 0.053 0.000 3.214 205 T HA 0.243 4.595 4.350 0.004 0.000 0.264 205 T C 1.617 176.324 174.700 0.011 0.000 1.012 205 T CA 0.631 62.754 62.100 0.038 0.000 0.901 205 T CB 0.379 69.264 68.868 0.029 0.000 1.070 205 T HN 0.207 nan 8.240 nan 0.000 0.561 206 S N 1.569 117.271 115.700 0.004 0.000 2.400 206 S HA -0.035 4.438 4.470 0.004 0.000 0.232 206 S C 2.421 177.013 174.600 -0.014 0.000 1.025 206 S CA 1.153 59.346 58.200 -0.011 0.000 0.993 206 S CB -0.490 62.700 63.200 -0.017 0.000 0.808 206 S HN 0.826 nan 8.310 nan 0.000 0.478 207 A N 2.452 125.268 122.820 -0.006 0.000 1.872 207 A HA -0.034 4.288 4.320 0.004 0.000 0.214 207 A C 2.229 179.816 177.584 0.004 0.000 1.187 207 A CA 1.524 53.557 52.037 -0.006 0.000 0.614 207 A CB -0.700 18.298 19.000 -0.003 0.000 0.826 207 A HN 0.656 nan 8.150 nan 0.000 0.442 208 M N -1.605 118.002 119.600 0.011 0.000 2.229 208 M HA -0.063 4.419 4.480 0.004 0.000 0.264 208 M C 1.764 178.071 176.300 0.012 0.000 1.063 208 M CA 2.220 57.531 55.300 0.018 0.000 1.114 208 M CB -1.206 31.407 32.600 0.023 0.000 1.387 208 M HN 0.136 nan 8.290 nan 0.000 0.420 209 T N 1.244 115.795 114.554 -0.004 0.000 2.777 209 T HA 0.011 4.363 4.350 0.004 0.000 0.266 209 T C 1.969 176.667 174.700 -0.005 0.000 1.040 209 T CA 1.657 63.746 62.100 -0.018 0.000 1.141 209 T CB -0.716 68.133 68.868 -0.032 0.000 0.868 209 T HN 0.715 nan 8.240 nan 0.000 0.444 210 G N 1.258 110.054 108.800 -0.007 0.000 2.418 210 G HA2 -0.127 3.836 3.960 0.004 0.000 0.217 210 G HA3 -0.127 3.836 3.960 0.004 0.000 0.217 210 G C 1.524 176.437 174.900 0.022 0.000 1.158 210 G CA 0.488 45.584 45.100 -0.007 0.000 0.771 210 G HN 0.483 nan 8.290 nan 0.000 0.545 211 I N 1.358 121.946 120.570 0.030 0.000 2.252 211 I HA -0.141 4.031 4.170 0.004 0.000 0.245 211 I C 3.274 179.444 176.117 0.089 0.000 1.102 211 I CA 0.982 62.315 61.300 0.055 0.000 1.385 211 I CB -0.200 37.830 38.000 0.050 0.000 1.064 211 I HN 0.232 nan 8.210 nan 0.000 0.414 212 A N 1.296 124.171 122.820 0.092 0.000 1.933 212 A HA -0.177 4.145 4.320 0.004 0.000 0.218 212 A C 2.250 179.946 177.584 0.187 0.000 1.175 212 A CA 1.818 53.951 52.037 0.160 0.000 0.628 212 A CB -0.824 18.240 19.000 0.106 0.000 0.814 212 A HN 0.525 nan 8.150 nan 0.000 0.444 213 L N -2.204 119.090 121.223 0.119 0.000 2.217 213 L HA 0.041 4.383 4.340 0.004 0.000 0.211 213 L C 1.933 178.914 176.870 0.185 0.000 1.107 213 L CA 1.457 56.377 54.840 0.133 0.000 0.783 213 L CB -0.943 41.161 42.059 0.076 0.000 0.919 213 L HN -0.005 nan 8.230 nan 0.000 0.442 214 V N 0.870 120.890 119.914 0.178 0.000 2.453 214 V HA -0.151 3.971 4.120 0.004 0.000 0.247 214 V C 2.413 178.626 176.094 0.199 0.000 1.048 214 V CA 1.637 64.078 62.300 0.235 0.000 1.049 214 V CB -0.917 31.012 31.823 0.177 0.000 0.672 214 V HN 0.508 nan 8.190 nan 0.000 0.457 215 N N 0.892 119.684 118.700 0.154 0.000 2.120 215 N HA -0.115 4.627 4.740 0.004 0.000 0.188 215 N C 1.925 177.481 175.510 0.077 0.000 1.024 215 N CA 1.655 54.771 53.050 0.110 0.000 0.852 215 N CB -0.541 37.995 38.487 0.082 0.000 1.003 215 N HN 0.472 nan 8.380 nan 0.000 0.424 216 A N 0.423 123.312 122.820 0.114 0.000 1.883 216 A HA -0.223 4.099 4.320 0.004 0.000 0.217 216 A C 2.127 179.731 177.584 0.033 0.000 1.186 216 A CA 1.936 54.022 52.037 0.081 0.000 0.624 216 A CB -1.003 18.111 19.000 0.190 0.000 0.822 216 A HN 0.463 nan 8.150 nan 0.000 0.444 217 H N -0.322 118.714 119.070 -0.057 0.000 2.321 217 H HA 0.064 4.622 4.556 0.003 0.000 0.300 217 H C 2.213 177.462 175.328 -0.133 0.000 1.087 217 H CA 1.921 57.849 56.048 -0.200 0.000 1.319 217 H CB -0.223 29.268 29.762 -0.452 0.000 1.379 217 H HN 0.402 nan 8.280 nan 0.000 0.501 218 A N -0.317 122.545 122.820 0.069 0.000 1.902 218 A HA -0.187 4.135 4.320 0.004 0.000 0.217 218 A C 2.697 180.281 177.584 -0.002 0.000 1.181 218 A CA 1.498 53.580 52.037 0.074 0.000 0.623 218 A CB -1.228 17.843 19.000 0.119 0.000 0.818 218 A HN 0.651 nan 8.150 nan 0.000 0.443 219 C N -1.284 118.029 119.300 0.021 0.000 2.422 219 C HA -0.043 4.419 4.460 0.004 0.000 0.279 219 C C 2.789 177.767 174.990 -0.021 0.000 1.305 219 C CA 1.161 60.230 59.018 0.087 0.000 1.757 219 C CB -1.344 26.474 27.740 0.130 0.000 1.962 219 C HN 0.728 nan 8.230 nan 0.000 0.499 220 R N -0.157 120.233 120.500 -0.183 0.000 2.081 220 R HA -0.129 4.214 4.340 0.004 0.000 0.235 220 R C 2.245 178.350 176.300 -0.325 0.000 1.131 220 R CA 1.524 57.434 56.100 -0.317 0.000 0.960 220 R CB -0.404 29.609 30.300 -0.478 0.000 0.856 220 R HN 0.604 nan 8.270 nan 0.000 0.436 221 H N 0.548 119.489 119.070 -0.215 0.000 2.326 221 H HA -0.080 4.478 4.556 0.003 0.000 0.301 221 H C 2.185 177.504 175.328 -0.015 0.000 1.081 221 H CA 1.619 57.588 56.048 -0.131 0.000 1.334 221 H CB -0.210 29.481 29.762 -0.119 0.000 1.385 221 H HN 0.237 nan 8.280 nan 0.000 0.504 222 L N -0.183 121.020 121.223 -0.033 0.000 2.083 222 L HA -0.092 4.250 4.340 0.004 0.000 0.209 222 L C 2.752 179.486 176.870 -0.228 0.000 1.083 222 L CA 1.059 55.700 54.840 -0.331 0.000 0.752 222 L CB -0.795 40.674 42.059 -0.984 0.000 0.899 222 L HN 0.300 nan 8.230 nan 0.000 0.433 223 G N -0.008 108.781 108.800 -0.018 0.000 2.418 223 G HA2 -0.258 3.704 3.960 0.004 0.000 0.217 223 G HA3 -0.258 3.704 3.960 0.004 0.000 0.217 223 G C 1.394 176.378 174.900 0.140 0.000 1.158 223 G CA 0.569 45.824 45.100 0.258 0.000 0.771 223 G HN 0.317 nan 8.290 nan 0.000 0.545 224 N N 0.101 118.777 118.700 -0.040 0.000 2.166 224 N HA -0.092 4.650 4.740 0.004 0.000 0.186 224 N C 1.847 177.267 175.510 -0.150 0.000 1.019 224 N CA 0.886 53.857 53.050 -0.133 0.000 0.856 224 N CB -0.326 38.020 38.487 -0.235 0.000 0.993 224 N HN 0.586 nan 8.380 nan 0.000 0.426 225 W N 1.603 122.858 121.300 -0.075 0.000 2.381 225 W HA 0.054 4.716 4.660 0.004 0.000 0.301 225 W C 2.535 179.032 176.519 -0.037 0.000 1.205 225 W CA 1.183 58.479 57.345 -0.081 0.000 1.285 225 W CB -0.477 28.889 29.460 -0.157 0.000 1.133 225 W HN 0.021 nan 8.180 nan 0.000 0.521 226 A N -0.113 122.834 122.820 0.212 0.000 1.908 226 A HA -0.204 4.118 4.320 0.004 0.000 0.218 226 A C 1.988 179.662 177.584 0.148 0.000 1.181 226 A CA 2.277 54.450 52.037 0.226 0.000 0.627 226 A CB -1.120 18.107 19.000 0.378 0.000 0.818 226 A HN 0.118 nan 8.150 nan 0.000 0.445 227 V N -0.471 119.515 119.914 0.120 0.000 2.323 227 V HA -0.176 3.946 4.120 0.004 0.000 0.244 227 V C 3.056 179.136 176.094 -0.022 0.000 1.041 227 V CA 1.819 64.134 62.300 0.025 0.000 1.025 227 V CB -1.149 30.695 31.823 0.036 0.000 0.656 227 V HN 0.614 nan 8.190 nan 0.000 0.451 228 A N -0.308 122.489 122.820 -0.038 0.000 1.933 228 A HA -0.142 4.180 4.320 0.004 0.000 0.218 228 A C 2.178 179.782 177.584 0.034 0.000 1.175 228 A CA 1.724 53.727 52.037 -0.057 0.000 0.628 228 A CB -0.481 18.396 19.000 -0.204 0.000 0.814 228 A HN 0.519 nan 8.150 nan 0.000 0.444 229 L N -1.249 120.033 121.223 0.099 0.000 2.179 229 L HA -0.081 4.261 4.340 0.004 0.000 0.208 229 L C 2.634 179.567 176.870 0.106 0.000 1.096 229 L CA 1.432 56.347 54.840 0.125 0.000 0.779 229 L CB -0.810 41.346 42.059 0.160 0.000 0.922 229 L HN 0.297 nan 8.230 nan 0.000 0.443 230 T N 0.199 114.808 114.554 0.091 0.000 2.821 230 T HA -0.128 4.224 4.350 0.004 0.000 0.267 230 T C 2.045 176.857 174.700 0.186 0.000 1.046 230 T CA 1.306 63.472 62.100 0.110 0.000 1.139 230 T CB -0.100 68.783 68.868 0.025 0.000 0.871 230 T HN 0.425 nan 8.240 nan 0.000 0.454 231 A N 1.249 124.142 122.820 0.122 0.000 1.873 231 A HA 0.011 4.333 4.320 0.004 0.000 0.215 231 A C 2.196 179.894 177.584 0.190 0.000 1.186 231 A CA 1.132 53.296 52.037 0.213 0.000 0.616 231 A CB -0.778 18.281 19.000 0.098 0.000 0.823 231 A HN 0.390 nan 8.150 nan 0.000 0.442 232 L N -0.756 120.539 121.223 0.120 0.000 2.141 232 L HA -0.068 4.274 4.340 0.004 0.000 0.209 232 L C 2.203 179.127 176.870 0.090 0.000 1.094 232 L CA 1.697 56.593 54.840 0.092 0.000 0.763 232 L CB -0.711 41.394 42.059 0.076 0.000 0.908 232 L HN 0.379 nan 8.230 nan 0.000 0.437 233 L N -0.147 121.140 121.223 0.107 0.000 2.042 233 L HA -0.123 4.220 4.340 0.004 0.000 0.210 233 L C 2.494 179.419 176.870 0.092 0.000 1.076 233 L CA 2.102 56.997 54.840 0.091 0.000 0.749 233 L CB -1.042 41.081 42.059 0.107 0.000 0.893 233 L HN 0.258 nan 8.230 nan 0.000 0.432 234 A N -0.887 122.018 122.820 0.143 0.000 1.933 234 A HA -0.213 4.109 4.320 0.004 0.000 0.218 234 A C 2.142 179.744 177.584 0.030 0.000 1.175 234 A CA 1.798 53.881 52.037 0.078 0.000 0.628 234 A CB -0.603 18.454 19.000 0.096 0.000 0.814 234 A HN 0.640 nan 8.150 nan 0.000 0.444 235 E N -1.036 119.197 120.200 0.056 0.000 2.208 235 E HA -0.132 4.220 4.350 0.004 0.000 0.193 235 E C 1.727 178.339 176.600 0.020 0.000 0.988 235 E CA 1.075 57.494 56.400 0.032 0.000 0.828 235 E CB -0.247 29.480 29.700 0.044 0.000 0.763 235 E HN 0.688 nan 8.360 nan 0.000 0.478 236 C N 0.084 119.399 119.300 0.025 0.000 2.563 236 C HA 0.143 4.605 4.460 0.004 0.000 0.268 236 C C 1.827 176.820 174.990 0.005 0.000 1.365 236 C CA 0.048 59.074 59.018 0.013 0.000 1.754 236 C CB -0.294 27.453 27.740 0.013 0.000 1.932 236 C HN 0.314 nan 8.230 nan 0.000 0.536 237 L N -0.172 121.054 121.223 0.005 0.000 3.014 237 L HA 0.280 4.622 4.340 0.004 0.000 0.263 237 L C 0.359 177.219 176.870 -0.017 0.000 1.207 237 L CA -0.063 54.774 54.840 -0.004 0.000 1.017 237 L CB -0.252 41.809 42.059 0.002 0.000 1.360 237 L HN 0.221 nan 8.230 nan 0.000 0.560 238 R N 0.597 121.085 120.500 -0.021 0.000 3.333 238 R HA -0.145 4.197 4.340 0.004 0.000 0.256 238 R C 0.667 176.928 176.300 -0.065 0.000 1.010 238 R CA 0.426 56.505 56.100 -0.036 0.000 0.680 238 R CB -2.012 28.273 30.300 -0.024 0.000 1.102 238 R HN 0.487 nan 8.270 nan 0.000 0.440 239 G N 0.692 109.438 108.800 -0.090 0.000 2.554 239 G HA2 0.184 4.147 3.960 0.004 0.000 0.238 239 G HA3 0.184 4.147 3.960 0.004 0.000 0.238 239 G C 0.072 174.822 174.900 -0.251 0.000 1.259 239 G CA -0.556 44.444 45.100 -0.167 0.000 0.843 239 G HN 0.242 nan 8.290 nan 0.000 0.582 240 R N 0.607 120.930 120.500 -0.295 0.000 2.202 240 R HA 0.229 4.571 4.340 0.004 0.000 0.334 240 R C 1.535 177.531 176.300 -0.506 0.000 1.036 240 R CA 0.186 56.109 56.100 -0.295 0.000 0.878 240 R CB 0.891 31.079 30.300 -0.188 0.000 1.067 240 R HN 0.702 nan 8.270 nan 0.000 0.457 241 T N -1.154 113.147 114.554 -0.422 0.000 3.085 241 T HA -0.129 4.223 4.350 0.004 0.000 0.263 241 T C 1.423 175.976 174.700 -0.246 0.000 1.127 241 T CA 0.871 62.705 62.100 -0.442 0.000 1.103 241 T CB -0.036 68.716 68.868 -0.193 0.000 0.921 241 T HN 0.738 nan 8.240 nan 0.000 0.510 242 E N 1.847 121.942 120.200 -0.175 0.000 2.204 242 E HA -0.042 4.310 4.350 0.004 0.000 0.195 242 E C 2.225 178.799 176.600 -0.043 0.000 0.990 242 E CA 0.956 57.312 56.400 -0.073 0.000 0.821 242 E CB -0.595 29.077 29.700 -0.047 0.000 0.750 242 E HN 0.606 nan 8.360 nan 0.000 0.477 243 A N 0.640 123.388 122.820 -0.120 0.000 2.121 243 A HA -0.086 4.236 4.320 0.004 0.000 0.218 243 A C 0.967 178.695 177.584 0.241 0.000 1.154 243 A CA 0.686 52.721 52.037 -0.004 0.000 0.679 243 A CB -0.605 18.358 19.000 -0.063 0.000 0.795 243 A HN 0.497 nan 8.150 nan 0.000 0.458 244 W N -0.523 120.776 121.300 -0.001 0.000 3.239 244 W HA 0.594 5.256 4.660 0.002 0.000 0.348 244 W C 0.891 177.411 176.519 0.003 0.000 1.183 244 W CA -1.060 56.285 57.345 0.001 0.000 1.819 244 W CB -1.262 28.201 29.460 0.004 0.000 1.091 244 W HN 0.334 nan 8.180 nan 0.000 0.629 245 A N 0.903 123.835 122.820 0.186 0.000 2.520 245 A HA 0.394 4.716 4.320 0.004 0.000 0.235 245 A C 1.682 179.321 177.584 0.092 0.000 1.065 245 A CA 0.790 52.894 52.037 0.110 0.000 0.764 245 A CB 0.517 19.555 19.000 0.064 0.000 1.002 245 A HN 0.251 nan 8.150 nan 0.000 0.502 246 A N 1.972 124.833 122.820 0.068 0.000 2.015 246 A HA 0.197 4.519 4.320 0.004 0.000 0.219 246 A C 2.306 179.913 177.584 0.038 0.000 1.163 246 A CA 1.991 54.057 52.037 0.050 0.000 0.646 246 A CB -0.871 18.152 19.000 0.039 0.000 0.806 246 A HN 1.718 nan 8.150 nan 0.000 0.448 247 A N -0.141 122.700 122.820 0.035 0.000 1.972 247 A HA -0.058 4.264 4.320 0.004 0.000 0.219 247 A C 2.117 179.716 177.584 0.024 0.000 1.169 247 A CA 1.458 53.509 52.037 0.024 0.000 0.635 247 A CB -0.510 18.503 19.000 0.021 0.000 0.810 247 A HN 0.486 nan 8.150 nan 0.000 0.446 248 L N -0.729 120.514 121.223 0.034 0.000 2.093 248 L HA -0.133 4.209 4.340 0.004 0.000 0.208 248 L C 2.846 179.733 176.870 0.028 0.000 1.085 248 L CA 1.338 56.198 54.840 0.032 0.000 0.755 248 L CB -0.400 41.688 42.059 0.048 0.000 0.904 248 L HN 0.330 nan 8.230 nan 0.000 0.435 249 S N -0.249 115.472 115.700 0.035 0.000 2.368 249 S HA -0.190 4.282 4.470 0.004 0.000 0.225 249 S C 1.506 176.113 174.600 0.011 0.000 1.030 249 S CA 1.402 59.619 58.200 0.029 0.000 0.999 249 S CB -0.297 62.924 63.200 0.034 0.000 0.844 249 S HN 0.446 nan 8.310 nan 0.000 0.459 250 D N 1.453 121.859 120.400 0.009 0.000 2.178 250 D HA -0.041 4.601 4.640 0.004 0.000 0.201 250 D C 1.753 178.044 176.300 -0.014 0.000 0.980 250 D CA 0.728 54.726 54.000 -0.003 0.000 0.842 250 D CB -0.300 40.501 40.800 0.002 0.000 0.948 250 D HN 0.338 nan 8.370 nan 0.000 0.472 251 L N -0.551 120.667 121.223 -0.009 0.000 2.291 251 L HA -0.002 4.340 4.340 0.004 0.000 0.214 251 L C 1.568 178.418 176.870 -0.034 0.000 1.120 251 L CA 0.560 55.390 54.840 -0.017 0.000 0.799 251 L CB 0.098 42.154 42.059 -0.007 0.000 0.925 251 L HN -0.162 nan 8.230 nan 0.000 0.446 252 R N 0.731 121.209 120.500 -0.036 0.000 2.644 252 R HA 0.190 4.532 4.340 0.004 0.000 0.271 252 R C -2.202 174.039 176.300 -0.098 0.000 1.687 252 R CA -1.371 54.686 56.100 -0.072 0.000 1.655 252 R CB 0.889 31.185 30.300 -0.007 0.000 1.285 252 R HN -0.148 nan 8.270 nan 0.000 0.643 253 P HA -0.086 nan 4.420 nan 0.000 0.297 253 P C -0.673 176.561 177.300 -0.110 0.000 1.544 253 P CA 0.261 63.302 63.100 -0.099 0.000 0.798 253 P CB -0.341 31.310 31.700 -0.082 0.000 1.757 254 H N 0.865 119.934 119.070 -0.001 0.000 2.848 254 H HA 0.085 4.643 4.556 0.004 0.000 0.317 254 H C -1.294 174.045 175.328 0.018 0.000 1.046 254 H CA -1.438 54.612 56.048 0.003 0.000 1.470 254 H CB 0.529 30.288 29.762 -0.006 0.000 1.483 254 H HN 0.081 nan 8.280 nan 0.000 0.548 255 P HA -0.156 nan 4.420 nan 0.000 0.216 255 P C 1.622 178.996 177.300 0.123 0.000 1.153 255 P CA 1.683 64.845 63.100 0.104 0.000 0.858 255 P CB 0.130 31.885 31.700 0.092 0.000 0.789 256 G N -0.512 108.379 108.800 0.150 0.000 2.422 256 G HA2 -0.290 3.672 3.960 0.004 0.000 0.218 256 G HA3 -0.290 3.672 3.960 0.004 0.000 0.218 256 G C 1.670 176.660 174.900 0.151 0.000 1.146 256 G CA 0.632 45.850 45.100 0.197 0.000 0.769 256 G HN 0.313 nan 8.290 nan 0.000 0.547 257 Q N 0.117 119.974 119.800 0.095 0.000 2.046 257 Q HA -0.081 4.261 4.340 0.004 0.000 0.200 257 Q C 2.471 178.501 176.000 0.050 0.000 0.975 257 Q CA 1.600 57.430 55.803 0.046 0.000 0.836 257 Q CB -0.192 28.592 28.738 0.077 0.000 0.896 257 Q HN 0.511 nan 8.270 nan 0.000 0.428 258 K N 0.205 120.645 120.400 0.068 0.000 2.032 258 K HA -0.239 4.083 4.320 0.004 0.000 0.209 258 K C 1.698 178.326 176.600 0.048 0.000 1.048 258 K CA 1.947 58.264 56.287 0.049 0.000 0.927 258 K CB -0.216 32.310 32.500 0.044 0.000 0.712 258 K HN 0.194 nan 8.250 nan 0.000 0.441 259 D N -0.167 120.277 120.400 0.074 0.000 2.097 259 D HA -0.128 4.514 4.640 0.004 0.000 0.195 259 D C 1.718 178.073 176.300 0.092 0.000 0.989 259 D CA 1.600 55.645 54.000 0.074 0.000 0.827 259 D CB -0.088 40.764 40.800 0.087 0.000 0.966 259 D HN 0.348 nan 8.370 nan 0.000 0.456 260 A N 0.554 123.465 122.820 0.151 0.000 1.877 260 A HA 0.003 4.325 4.320 0.004 0.000 0.216 260 A C 2.407 179.943 177.584 -0.081 0.000 1.186 260 A CA 2.416 54.514 52.037 0.102 0.000 0.620 260 A CB -1.224 17.754 19.000 -0.037 0.000 0.822 260 A HN 0.334 nan 8.150 nan 0.000 0.443 261 A N -0.128 122.642 122.820 -0.084 0.000 1.883 261 A HA 0.107 4.430 4.320 0.004 0.000 0.217 261 A C 2.541 180.095 177.584 -0.051 0.000 1.186 261 A CA 2.380 54.354 52.037 -0.104 0.000 0.624 261 A CB -1.140 17.858 19.000 -0.004 0.000 0.822 261 A HN 1.137 nan 8.150 nan 0.000 0.444 262 A N -0.363 122.451 122.820 -0.010 0.000 1.902 262 A HA -0.180 4.142 4.320 0.004 0.000 0.217 262 A C 2.244 179.819 177.584 -0.015 0.000 1.181 262 A CA 1.709 53.748 52.037 0.004 0.000 0.623 262 A CB -0.442 18.563 19.000 0.009 0.000 0.818 262 A HN 0.556 nan 8.150 nan 0.000 0.443 263 R N -0.737 119.743 120.500 -0.034 0.000 2.115 263 R HA 0.073 4.415 4.340 0.004 0.000 0.230 263 R C 2.014 178.264 176.300 -0.084 0.000 1.111 263 R CA 1.099 57.170 56.100 -0.049 0.000 0.976 263 R CB -0.398 29.880 30.300 -0.037 0.000 0.870 263 R HN 0.502 nan 8.270 nan 0.000 0.445 264 L N 0.178 121.298 121.223 -0.171 0.000 2.027 264 L HA -0.159 4.184 4.340 0.004 0.000 0.206 264 L C 2.521 179.377 176.870 -0.023 0.000 1.074 264 L CA 1.420 56.076 54.840 -0.307 0.000 0.745 264 L CB -0.311 41.194 42.059 -0.923 0.000 0.898 264 L HN 0.138 nan 8.230 nan 0.000 0.433 265 R N -0.147 120.394 120.500 0.068 0.000 2.091 265 R HA -0.165 4.177 4.340 0.004 0.000 0.238 265 R C 2.389 178.745 176.300 0.093 0.000 1.136 265 R CA 1.398 57.596 56.100 0.164 0.000 0.959 265 R CB -0.584 29.794 30.300 0.131 0.000 0.856 265 R HN 0.365 nan 8.270 nan 0.000 0.437 266 A N 1.381 124.224 122.820 0.039 0.000 1.902 266 A HA -0.159 4.163 4.320 0.004 0.000 0.217 266 A C 2.067 179.662 177.584 0.018 0.000 1.181 266 A CA 1.156 53.204 52.037 0.019 0.000 0.623 266 A CB -0.288 18.708 19.000 -0.007 0.000 0.818 266 A HN 0.112 nan 8.150 nan 0.000 0.443 267 R N -0.247 120.262 120.500 0.015 0.000 2.096 267 R HA -0.112 4.230 4.340 0.004 0.000 0.235 267 R C 1.923 178.255 176.300 0.054 0.000 1.127 267 R CA 1.747 57.856 56.100 0.015 0.000 0.968 267 R CB -1.343 28.957 30.300 -0.001 0.000 0.861 267 R HN 0.682 nan 8.270 nan 0.000 0.440 268 V N -0.801 119.176 119.914 0.104 0.000 3.633 268 V HA 0.111 4.233 4.120 0.004 0.000 0.283 268 V C 0.193 176.327 176.094 0.067 0.000 1.305 268 V CA -0.571 61.793 62.300 0.107 0.000 1.153 268 V CB -0.565 31.363 31.823 0.175 0.000 0.950 268 V HN -0.074 nan 8.190 nan 0.000 0.432 269 D N 1.358 121.789 120.400 0.052 0.000 2.458 269 D HA 0.418 5.060 4.640 0.004 0.000 0.243 269 D C 1.455 177.767 176.300 0.020 0.000 1.146 269 D CA 1.881 55.901 54.000 0.033 0.000 0.877 269 D CB 0.587 41.401 40.800 0.025 0.000 1.176 269 D HN 0.560 nan 8.370 nan 0.000 0.461 270 G N 2.358 111.165 108.800 0.012 0.000 2.176 270 G HA2 -0.269 3.693 3.960 0.004 0.000 0.253 270 G HA3 -0.269 3.693 3.960 0.004 0.000 0.253 270 G C 0.452 175.355 174.900 0.006 0.000 0.979 270 G CA 0.352 45.456 45.100 0.007 0.000 0.641 270 G HN 0.789 nan 8.290 nan 0.000 0.530 271 S N 0.073 115.778 115.700 0.009 0.000 2.565 271 S HA 0.677 5.149 4.470 0.004 0.000 0.276 271 S C 1.210 175.804 174.600 -0.009 0.000 1.326 271 S CA 0.787 58.991 58.200 0.006 0.000 1.045 271 S CB 1.354 64.564 63.200 0.017 0.000 0.918 271 S HN 1.606 nan 8.310 nan 0.000 0.505 272 A N 5.110 127.925 122.820 -0.009 0.000 2.470 272 A HA 0.340 4.663 4.320 0.004 0.000 0.251 272 A C 1.682 179.256 177.584 -0.017 0.000 1.245 272 A CA -0.351 51.676 52.037 -0.017 0.000 0.932 272 A CB 0.093 19.088 19.000 -0.009 0.000 1.037 272 A HN 0.722 nan 8.150 nan 0.000 0.522 273 R N -0.101 120.392 120.500 -0.013 0.000 2.290 273 R HA 0.113 4.455 4.340 0.004 0.000 0.197 273 R C 0.719 177.003 176.300 -0.026 0.000 0.913 273 R CA 0.851 56.944 56.100 -0.012 0.000 1.040 273 R CB -0.309 29.991 30.300 -0.000 0.000 0.992 273 R HN 0.496 nan 8.270 nan 0.000 0.500 274 V N -1.523 118.366 119.914 -0.042 0.000 2.973 274 V HA 0.473 4.595 4.120 0.004 0.000 0.314 274 V C 0.468 176.504 176.094 -0.096 0.000 1.066 274 V CA -0.952 61.302 62.300 -0.076 0.000 1.021 274 V CB 2.003 33.770 31.823 -0.093 0.000 1.076 274 V HN -0.264 nan 8.190 nan 0.000 0.462 275 V N 3.510 123.354 119.914 -0.117 0.000 2.383 275 V HA 0.463 4.585 4.120 0.004 0.000 0.275 275 V C 0.989 176.984 176.094 -0.165 0.000 1.036 275 V CA -0.266 61.967 62.300 -0.112 0.000 0.889 275 V CB 0.740 32.532 31.823 -0.052 0.000 0.985 275 V HN 0.933 nan 8.190 nan 0.000 0.459 276 R N 1.478 121.826 120.500 -0.254 0.000 2.365 276 R HA 0.210 4.552 4.340 0.004 0.000 0.223 276 R C -0.049 176.134 176.300 -0.196 0.000 0.899 276 R CA -0.183 55.781 56.100 -0.227 0.000 1.059 276 R CB 0.228 30.396 30.300 -0.220 0.000 1.086 276 R HN 0.757 nan 8.270 nan 0.000 0.522 277 H N 0.122 119.167 119.070 -0.042 0.000 2.848 277 H HA 0.076 4.634 4.556 0.003 0.000 0.341 277 H C -0.202 175.105 175.328 -0.036 0.000 1.060 277 H CA -0.271 55.758 56.048 -0.033 0.000 1.444 277 H CB 1.040 30.784 29.762 -0.029 0.000 1.446 277 H HN -0.194 nan 8.280 nan 0.000 0.583 278 V N 5.861 125.836 119.914 0.101 0.000 2.432 278 V HA -0.050 4.072 4.120 0.004 0.000 0.271 278 V C 1.772 177.891 176.094 0.042 0.000 1.046 278 V CA 0.066 62.392 62.300 0.044 0.000 0.945 278 V CB 0.162 32.003 31.823 0.029 0.000 0.992 278 V HN 0.786 nan 8.190 nan 0.000 0.471 279 I N 3.365 123.949 120.570 0.023 0.000 2.286 279 I HA -0.116 4.056 4.170 0.004 0.000 0.248 279 I C 2.105 178.223 176.117 0.001 0.000 1.115 279 I CA 1.917 63.222 61.300 0.008 0.000 1.392 279 I CB -0.298 37.703 38.000 0.001 0.000 1.065 279 I HN 0.569 nan 8.210 nan 0.000 0.418 280 A N 1.089 123.912 122.820 0.004 0.000 2.178 280 A HA -0.121 4.202 4.320 0.004 0.000 0.218 280 A C 2.131 179.715 177.584 0.000 0.000 1.157 280 A CA 1.262 53.300 52.037 0.002 0.000 0.689 280 A CB -0.558 18.444 19.000 0.004 0.000 0.787 280 A HN 0.566 nan 8.150 nan 0.000 0.465 281 E N -0.060 120.142 120.200 0.003 0.000 2.208 281 E HA -0.098 4.254 4.350 0.004 0.000 0.193 281 E C 1.154 177.747 176.600 -0.011 0.000 0.988 281 E CA 0.158 56.558 56.400 0.000 0.000 0.828 281 E CB -0.204 29.502 29.700 0.010 0.000 0.763 281 E HN 0.641 nan 8.360 nan 0.000 0.478 282 R N 1.837 122.325 120.500 -0.020 0.000 2.401 282 R HA 0.082 4.424 4.340 0.004 0.000 0.299 282 R C -0.439 175.849 176.300 -0.020 0.000 1.064 282 R CA 0.007 56.090 56.100 -0.029 0.000 1.000 282 R CB 0.375 30.652 30.300 -0.039 0.000 0.973 282 R HN -0.136 nan 8.270 nan 0.000 0.438 283 R N 4.725 125.213 120.500 -0.020 0.000 2.265 283 R HA 0.304 4.646 4.340 0.004 0.000 0.319 283 R C -0.422 175.868 176.300 -0.016 0.000 1.006 283 R CA -0.554 55.537 56.100 -0.015 0.000 0.880 283 R CB 1.210 31.502 30.300 -0.013 0.000 1.077 283 R HN 0.465 nan 8.270 nan 0.000 0.454 284 L N 2.269 123.484 121.223 -0.014 0.000 2.399 284 L HA 0.357 4.699 4.340 0.004 0.000 0.266 284 L C 0.140 177.003 176.870 -0.011 0.000 1.114 284 L CA -0.437 54.395 54.840 -0.013 0.000 0.804 284 L CB 0.877 42.929 42.059 -0.012 0.000 1.146 284 L HN 0.492 nan 8.230 nan 0.000 0.451 285 D N 0.122 120.515 120.400 -0.012 0.000 2.374 285 D HA 0.315 4.957 4.640 0.004 0.000 0.239 285 D C 0.529 176.824 176.300 -0.009 0.000 0.991 285 D CA -0.425 53.569 54.000 -0.010 0.000 0.960 285 D CB 2.144 42.937 40.800 -0.011 0.000 1.284 285 D HN 0.554 nan 8.370 nan 0.000 0.512 286 A N 0.874 123.689 122.820 -0.007 0.000 1.940 286 A HA -0.100 4.222 4.320 0.004 0.000 0.219 286 A C 1.928 179.508 177.584 -0.007 0.000 1.176 286 A CA 2.183 54.216 52.037 -0.007 0.000 0.631 286 A CB -0.959 18.038 19.000 -0.006 0.000 0.814 286 A HN 0.644 nan 8.150 nan 0.000 0.446 287 G N -0.493 108.303 108.800 -0.008 0.000 2.470 287 G HA2 -0.178 3.784 3.960 0.004 0.000 0.220 287 G HA3 -0.178 3.784 3.960 0.004 0.000 0.220 287 G C 0.985 175.880 174.900 -0.009 0.000 1.121 287 G CA 1.081 46.176 45.100 -0.008 0.000 0.766 287 G HN 0.522 nan 8.290 nan 0.000 0.553 288 D N 0.450 120.844 120.400 -0.010 0.000 2.277 288 D HA -0.011 4.632 4.640 0.004 0.000 0.208 288 D C 1.142 177.436 176.300 -0.010 0.000 0.962 288 D CA 0.041 54.035 54.000 -0.011 0.000 0.865 288 D CB 0.241 41.033 40.800 -0.014 0.000 0.939 288 D HN 0.142 nan 8.370 nan 0.000 0.510 289 I N 1.471 122.036 120.570 -0.008 0.000 2.742 289 I HA 0.241 4.413 4.170 0.004 0.000 0.287 289 I C 1.418 177.531 176.117 -0.007 0.000 1.186 289 I CA 0.916 62.212 61.300 -0.007 0.000 1.417 289 I CB -0.276 37.720 38.000 -0.006 0.000 1.377 289 I HN 0.024 nan 8.210 nan 0.000 0.556 290 G N 5.588 114.383 108.800 -0.007 0.000 2.368 290 G HA2 0.117 4.079 3.960 0.004 0.000 0.269 290 G HA3 0.117 4.079 3.960 0.004 0.000 0.269 290 G C -1.091 173.804 174.900 -0.007 0.000 1.291 290 G CA -0.727 44.369 45.100 -0.007 0.000 0.903 290 G HN 0.411 nan 8.290 nan 0.000 0.483 291 T N 1.997 116.546 114.554 -0.007 0.000 2.749 291 T HA 0.559 4.911 4.350 0.004 0.000 0.287 291 T C -0.087 174.608 174.700 -0.008 0.000 0.970 291 T CA -0.204 61.891 62.100 -0.007 0.000 0.980 291 T CB 1.279 70.143 68.868 -0.007 0.000 0.924 291 T HN 0.449 nan 8.240 nan 0.000 0.456 292 E N 3.155 123.350 120.200 -0.009 0.000 2.280 292 E HA 0.209 4.561 4.350 0.004 0.000 0.264 292 E C -1.297 175.297 176.600 -0.010 0.000 1.064 292 E CA -2.021 54.372 56.400 -0.010 0.000 0.900 292 E CB 0.674 30.367 29.700 -0.012 0.000 1.123 292 E HN 0.328 nan 8.360 nan 0.000 0.418 293 P HA -0.147 nan 4.420 nan 0.000 0.215 293 P C -0.556 176.738 177.300 -0.010 0.000 1.153 293 P CA 1.438 64.532 63.100 -0.010 0.000 0.853 293 P CB 0.297 31.991 31.700 -0.009 0.000 0.788 294 E N -1.460 118.733 120.200 -0.011 0.000 2.343 294 E HA 0.604 4.956 4.350 0.004 0.000 0.270 294 E C -0.927 175.667 176.600 -0.010 0.000 0.895 294 E CA -1.164 55.230 56.400 -0.011 0.000 0.767 294 E CB 2.059 31.752 29.700 -0.011 0.000 1.248 294 E HN -0.085 nan 8.360 nan 0.000 0.440 295 A N 0.678 123.493 122.820 -0.009 0.000 2.346 295 A HA 0.418 4.740 4.320 0.004 0.000 0.252 295 A C 1.196 178.776 177.584 -0.006 0.000 1.089 295 A CA 0.360 52.394 52.037 -0.006 0.000 0.797 295 A CB 0.057 19.055 19.000 -0.004 0.000 1.047 295 A HN 0.795 nan 8.150 nan 0.000 0.494 296 G N -0.816 107.982 108.800 -0.003 0.000 2.744 296 G HA2 0.256 4.218 3.960 0.004 0.000 0.211 296 G HA3 0.256 4.218 3.960 0.004 0.000 0.211 296 G C 0.490 175.387 174.900 -0.005 0.000 1.143 296 G CA 0.425 45.523 45.100 -0.004 0.000 0.788 296 G HN 0.723 nan 8.290 nan 0.000 0.534 297 Q N 0.048 119.849 119.800 0.003 0.000 2.423 297 Q HA 0.336 4.678 4.340 0.004 0.000 0.278 297 Q C -1.471 174.537 176.000 0.014 0.000 1.097 297 Q CA -1.035 54.773 55.803 0.008 0.000 0.809 297 Q CB 2.010 30.769 28.738 0.034 0.000 1.391 297 Q HN 0.017 nan 8.270 nan 0.000 0.428 298 D N 0.597 121.005 120.400 0.012 0.000 2.354 298 D HA 0.389 5.031 4.640 0.004 0.000 0.247 298 D C -0.204 176.147 176.300 0.084 0.000 1.138 298 D CA -0.126 53.889 54.000 0.024 0.000 0.958 298 D CB 0.974 41.774 40.800 -0.000 0.000 1.144 298 D HN 0.623 nan 8.370 nan 0.000 0.458 299 A N 0.554 123.416 122.820 0.071 0.000 2.366 299 A HA -0.001 4.322 4.320 0.004 0.000 0.250 299 A C 0.660 178.388 177.584 0.239 0.000 1.099 299 A CA -0.044 52.044 52.037 0.086 0.000 0.794 299 A CB -0.079 18.934 19.000 0.021 0.000 1.056 299 A HN 0.548 nan 8.150 nan 0.000 0.499 300 Y N 0.815 121.130 120.300 0.026 0.000 2.256 300 Y HA -0.193 4.360 4.550 0.005 0.000 0.288 300 Y C 2.950 178.883 175.900 0.054 0.000 1.155 300 Y CA 1.623 59.745 58.100 0.037 0.000 1.203 300 Y CB -1.274 37.199 38.460 0.022 0.000 0.980 300 Y HN 0.742 nan 8.280 nan 0.000 0.530 301 S N -1.048 114.779 115.700 0.213 0.000 2.500 301 S HA -0.103 4.369 4.470 0.004 0.000 0.239 301 S C 1.748 176.450 174.600 0.170 0.000 0.989 301 S CA 1.084 59.374 58.200 0.150 0.000 0.951 301 S CB -0.544 62.720 63.200 0.106 0.000 0.759 301 S HN 0.457 nan 8.310 nan 0.000 0.523 302 L N -0.395 120.948 121.223 0.200 0.000 2.614 302 L HA 0.363 4.705 4.340 0.004 0.000 0.185 302 L C 2.721 179.806 176.870 0.359 0.000 1.098 302 L CA 0.210 55.217 54.840 0.278 0.000 0.852 302 L CB -0.247 41.912 42.059 0.166 0.000 1.213 302 L HN 0.164 nan 8.230 nan 0.000 0.491 303 R N 0.032 120.662 120.500 0.217 0.000 2.105 303 R HA -0.152 4.191 4.340 0.004 0.000 0.239 303 R C 1.501 177.905 176.300 0.174 0.000 1.135 303 R CA 1.868 58.074 56.100 0.176 0.000 0.967 303 R CB -0.211 30.154 30.300 0.109 0.000 0.861 303 R HN 0.405 nan 8.270 nan 0.000 0.442 304 C N 0.224 119.579 119.300 0.091 0.000 2.688 304 C HA 0.443 4.905 4.460 0.004 0.000 0.297 304 C C 2.068 177.059 174.990 0.001 0.000 1.308 304 C CA -0.407 58.599 59.018 -0.021 0.000 1.726 304 C CB -0.408 27.212 27.740 -0.200 0.000 1.982 304 C HN 0.615 nan 8.230 nan 0.000 0.604 305 A N 2.567 125.431 122.820 0.073 0.000 1.940 305 A HA -0.085 4.237 4.320 0.004 0.000 0.219 305 A C -0.019 177.465 177.584 -0.167 0.000 1.176 305 A CA 1.726 53.736 52.037 -0.045 0.000 0.631 305 A CB -1.436 17.537 19.000 -0.045 0.000 0.814 305 A HN 0.416 nan 8.150 nan 0.000 0.446 306 P HA -0.140 nan 4.420 nan 0.000 0.216 306 P C 1.262 178.475 177.300 -0.145 0.000 1.153 306 P CA 1.418 64.413 63.100 -0.176 0.000 0.848 306 P CB -0.026 31.618 31.700 -0.093 0.000 0.787 307 Q N -0.956 118.781 119.800 -0.105 0.000 2.083 307 Q HA -0.074 4.268 4.340 0.004 0.000 0.198 307 Q C 2.115 178.020 176.000 -0.158 0.000 0.969 307 Q CA 1.237 56.975 55.803 -0.109 0.000 0.838 307 Q CB -1.387 27.297 28.738 -0.090 0.000 0.900 307 Q HN 0.094 nan 8.270 nan 0.000 0.436 308 V N 0.324 120.142 119.914 -0.161 0.000 2.283 308 V HA -0.195 3.927 4.120 0.004 0.000 0.243 308 V C 2.103 178.034 176.094 -0.271 0.000 1.039 308 V CA 1.416 63.610 62.300 -0.176 0.000 1.016 308 V CB -0.620 31.128 31.823 -0.125 0.000 0.650 308 V HN 0.293 nan 8.190 nan 0.000 0.449 309 L N 0.656 121.667 121.223 -0.353 0.000 2.042 309 L HA -0.107 4.235 4.340 0.004 0.000 0.210 309 L C 2.674 178.986 176.870 -0.930 0.000 1.076 309 L CA 1.820 56.256 54.840 -0.674 0.000 0.749 309 L CB -1.212 40.434 42.059 -0.689 0.000 0.893 309 L HN 0.489 nan 8.230 nan 0.000 0.432 310 G N -0.430 108.051 108.800 -0.532 0.000 2.442 310 G HA2 -0.256 3.706 3.960 0.004 0.000 0.219 310 G HA3 -0.256 3.706 3.960 0.004 0.000 0.219 310 G C 1.766 176.555 174.900 -0.186 0.000 1.141 310 G CA 0.833 45.760 45.100 -0.288 0.000 0.763 310 G HN 0.477 nan 8.290 nan 0.000 0.554 311 A N 0.804 123.492 122.820 -0.220 0.000 1.933 311 A HA 0.180 4.502 4.320 0.004 0.000 0.218 311 A C 2.692 180.210 177.584 -0.111 0.000 1.175 311 A CA 2.027 53.957 52.037 -0.178 0.000 0.628 311 A CB -0.961 17.925 19.000 -0.190 0.000 0.814 311 A HN 0.509 nan 8.150 nan 0.000 0.444 312 G N -1.145 107.556 108.800 -0.164 0.000 2.408 312 G HA2 -0.110 3.852 3.960 0.004 0.000 0.217 312 G HA3 -0.110 3.852 3.960 0.004 0.000 0.217 312 G C 1.278 176.269 174.900 0.152 0.000 1.150 312 G CA 1.005 46.063 45.100 -0.071 0.000 0.776 312 G HN 0.378 nan 8.290 nan 0.000 0.542 313 F N 1.666 121.617 119.950 0.002 0.000 2.186 313 F HA 0.047 4.577 4.527 0.004 0.000 0.299 313 F C 2.254 178.076 175.800 0.037 0.000 1.090 313 F CA 0.354 58.367 58.000 0.022 0.000 1.307 313 F CB -0.558 38.448 39.000 0.010 0.000 1.019 313 F HN 0.119 nan 8.300 nan 0.000 0.489 314 D N -0.686 119.837 120.400 0.206 0.000 2.224 314 D HA -0.085 4.557 4.640 0.004 0.000 0.205 314 D C 2.204 178.610 176.300 0.177 0.000 0.965 314 D CA 1.266 55.356 54.000 0.149 0.000 0.852 314 D CB -0.324 40.515 40.800 0.065 0.000 0.947 314 D HN 0.188 nan 8.370 nan 0.000 0.494 315 T N 1.216 115.866 114.554 0.160 0.000 2.777 315 T HA -0.111 4.241 4.350 0.004 0.000 0.266 315 T C 1.900 176.766 174.700 0.278 0.000 1.040 315 T CA 0.380 62.614 62.100 0.225 0.000 1.141 315 T CB -0.201 68.753 68.868 0.142 0.000 0.868 315 T HN 0.039 nan 8.240 nan 0.000 0.444 316 L N 1.535 122.880 121.223 0.202 0.000 2.083 316 L HA 0.113 4.455 4.340 0.004 0.000 0.209 316 L C 2.549 179.536 176.870 0.193 0.000 1.083 316 L CA 1.663 56.598 54.840 0.158 0.000 0.752 316 L CB -0.993 41.138 42.059 0.120 0.000 0.899 316 L HN 0.217 nan 8.230 nan 0.000 0.433 317 A N -1.259 121.677 122.820 0.194 0.000 1.902 317 A HA -0.268 4.054 4.320 0.004 0.000 0.217 317 A C 2.114 179.836 177.584 0.230 0.000 1.181 317 A CA 1.670 53.811 52.037 0.173 0.000 0.623 317 A CB -1.370 17.723 19.000 0.155 0.000 0.818 317 A HN 0.734 nan 8.150 nan 0.000 0.443 318 W N 0.321 121.679 121.300 0.097 0.000 2.379 318 W HA -0.169 4.492 4.660 0.003 0.000 0.307 318 W C 2.255 178.839 176.519 0.109 0.000 1.200 318 W CA 1.883 59.280 57.345 0.087 0.000 1.297 318 W CB -0.757 28.748 29.460 0.075 0.000 1.140 318 W HN 0.620 nan 8.180 nan 0.000 0.507 319 H N 0.237 119.257 119.070 -0.083 0.000 2.319 319 H HA -0.183 4.376 4.556 0.004 0.000 0.297 319 H C 1.376 176.592 175.328 -0.187 0.000 1.097 319 H CA 2.471 58.366 56.048 -0.255 0.000 1.285 319 H CB -0.553 29.170 29.762 -0.065 0.000 1.368 319 H HN 0.068 nan 8.280 nan 0.000 0.495 320 D N 0.216 120.673 120.400 0.094 0.000 2.144 320 D HA -0.076 4.566 4.640 0.004 0.000 0.200 320 D C 2.617 178.887 176.300 -0.050 0.000 0.978 320 D CA 0.631 54.655 54.000 0.040 0.000 0.833 320 D CB -0.224 40.637 40.800 0.102 0.000 0.961 320 D HN 0.396 nan 8.370 nan 0.000 0.470 321 R N 0.289 120.766 120.500 -0.038 0.000 2.073 321 R HA -0.056 4.286 4.340 0.004 0.000 0.234 321 R C 2.320 178.557 176.300 -0.104 0.000 1.134 321 R CA 0.748 56.832 56.100 -0.026 0.000 0.952 321 R CB -0.462 29.866 30.300 0.048 0.000 0.850 321 R HN 0.108 nan 8.270 nan 0.000 0.433 322 V N 1.381 121.149 119.914 -0.244 0.000 2.358 322 V HA -0.211 3.911 4.120 0.004 0.000 0.246 322 V C 2.201 178.144 176.094 -0.251 0.000 1.047 322 V CA 1.342 63.474 62.300 -0.280 0.000 1.035 322 V CB -0.413 31.118 31.823 -0.487 0.000 0.658 322 V HN 0.219 nan 8.190 nan 0.000 0.452 323 L N 0.023 121.062 121.223 -0.305 0.000 2.083 323 L HA -0.131 4.211 4.340 0.004 0.000 0.209 323 L C 2.456 179.242 176.870 -0.139 0.000 1.083 323 L CA 2.326 57.016 54.840 -0.250 0.000 0.752 323 L CB -0.992 40.884 42.059 -0.304 0.000 0.899 323 L HN 0.332 nan 8.230 nan 0.000 0.433 324 T N -0.147 114.351 114.554 -0.094 0.000 2.720 324 T HA -0.175 4.178 4.350 0.004 0.000 0.268 324 T C 1.969 176.654 174.700 -0.025 0.000 1.037 324 T CA 2.030 64.109 62.100 -0.035 0.000 1.144 324 T CB -0.293 68.597 68.868 0.037 0.000 0.864 324 T HN 0.316 nan 8.240 nan 0.000 0.444 325 I N 0.543 121.084 120.570 -0.048 0.000 2.202 325 I HA -0.125 4.047 4.170 0.004 0.000 0.242 325 I C 2.723 178.788 176.117 -0.088 0.000 1.091 325 I CA 1.214 62.482 61.300 -0.054 0.000 1.368 325 I CB -0.272 37.673 38.000 -0.091 0.000 1.058 325 I HN 0.195 nan 8.210 nan 0.000 0.410 326 E N 1.287 121.414 120.200 -0.123 0.000 2.051 326 E HA -0.262 4.090 4.350 0.004 0.000 0.192 326 E C 2.034 178.582 176.600 -0.087 0.000 0.991 326 E CA 1.310 57.638 56.400 -0.119 0.000 0.799 326 E CB -0.294 29.330 29.700 -0.127 0.000 0.748 326 E HN 0.302 nan 8.360 nan 0.000 0.449 327 L N 0.982 122.153 121.223 -0.087 0.000 2.079 327 L HA -0.115 4.227 4.340 0.004 0.000 0.210 327 L C 1.133 177.955 176.870 -0.081 0.000 1.081 327 L CA 1.846 56.637 54.840 -0.082 0.000 0.752 327 L CB -0.407 41.595 42.059 -0.095 0.000 0.896 327 L HN 0.152 nan 8.230 nan 0.000 0.433 328 N N -0.076 118.578 118.700 -0.077 0.000 2.268 328 N HA 0.214 4.957 4.740 0.004 0.000 0.204 328 N C 0.228 175.722 175.510 -0.026 0.000 1.124 328 N CA 0.612 53.630 53.050 -0.053 0.000 0.838 328 N CB 0.265 38.740 38.487 -0.020 0.000 0.994 328 N HN 0.414 nan 8.380 nan 0.000 0.489 329 A N 0.249 123.044 122.820 -0.043 0.000 2.256 329 A HA 0.555 4.877 4.320 0.004 0.000 0.318 329 A C 0.088 177.650 177.584 -0.037 0.000 1.103 329 A CA -0.425 51.585 52.037 -0.044 0.000 0.860 329 A CB 1.070 20.027 19.000 -0.072 0.000 1.182 329 A HN -0.028 nan 8.150 nan 0.000 0.501 330 V N 1.912 121.804 119.914 -0.036 0.000 2.320 330 V HA 0.343 4.465 4.120 0.004 0.000 0.265 330 V C 0.358 176.432 176.094 -0.034 0.000 1.048 330 V CA 0.165 62.449 62.300 -0.026 0.000 0.865 330 V CB 0.402 32.211 31.823 -0.023 0.000 1.043 330 V HN 0.922 nan 8.190 nan 0.000 0.474 331 T N 0.546 115.089 114.554 -0.017 0.000 2.929 331 T HA 0.653 5.005 4.350 0.004 0.000 0.331 331 T C -0.721 174.003 174.700 0.042 0.000 1.120 331 T CA -0.583 61.516 62.100 -0.002 0.000 0.973 331 T CB 0.980 69.852 68.868 0.006 0.000 1.036 331 T HN 0.584 nan 8.240 nan 0.000 0.502 332 D N 1.822 122.249 120.400 0.045 0.000 2.653 332 D HA 0.482 5.124 4.640 0.004 0.000 0.258 332 D C -1.704 174.644 176.300 0.081 0.000 1.252 332 D CA -0.438 53.609 54.000 0.078 0.000 0.777 332 D CB 2.253 43.072 40.800 0.032 0.000 1.339 332 D HN 0.528 nan 8.370 nan 0.000 0.422 333 N N 0.947 119.722 118.700 0.125 0.000 2.493 333 N HA 0.449 5.191 4.740 0.004 0.000 0.279 333 N C -2.934 172.628 175.510 0.088 0.000 1.082 333 N CA -1.009 52.093 53.050 0.086 0.000 0.963 333 N CB 2.885 41.566 38.487 0.324 0.000 1.627 333 N HN 0.039 nan 8.380 nan 0.000 0.499 334 P HA 0.264 nan 4.420 nan 0.000 0.289 334 P C -1.095 175.873 177.300 -0.552 0.000 1.299 334 P CA -0.462 62.388 63.100 -0.417 0.000 0.766 334 P CB 1.212 32.450 31.700 -0.770 0.000 1.226 335 V N -0.440 119.072 119.914 -0.670 0.000 2.962 335 V HA 0.549 4.671 4.120 0.004 0.000 0.313 335 V C -1.413 174.218 176.094 -0.772 0.000 1.099 335 V CA -0.875 61.050 62.300 -0.625 0.000 0.971 335 V CB 1.466 33.131 31.823 -0.263 0.000 1.028 335 V HN 0.232 nan 8.190 nan 0.000 0.430 336 F N 5.126 125.061 119.950 -0.025 0.000 2.347 336 F HA 0.540 5.069 4.527 0.004 0.000 0.366 336 F C -2.216 173.579 175.800 -0.010 0.000 1.107 336 F CA -2.737 55.253 58.000 -0.016 0.000 1.058 336 F CB 1.124 40.121 39.000 -0.005 0.000 1.236 336 F HN 0.285 nan 8.300 nan 0.000 0.456 337 P HA 0.020 nan 4.420 nan 0.000 0.258 337 P C -1.991 175.354 177.300 0.076 0.000 1.187 337 P CA -0.647 62.490 63.100 0.061 0.000 0.767 337 P CB 0.462 32.186 31.700 0.040 0.000 0.770 338 P HA -0.197 nan 4.420 nan 0.000 0.218 338 P C 0.849 178.172 177.300 0.037 0.000 1.148 338 P CA 1.401 64.531 63.100 0.050 0.000 0.822 338 P CB -0.133 31.590 31.700 0.038 0.000 0.784 339 D N -1.666 118.753 120.400 0.031 0.000 2.348 339 D HA 0.003 4.645 4.640 0.004 0.000 0.216 339 D C 1.434 177.750 176.300 0.027 0.000 0.970 339 D CA 0.981 54.996 54.000 0.024 0.000 0.889 339 D CB -1.255 39.556 40.800 0.018 0.000 0.912 339 D HN 0.195 nan 8.370 nan 0.000 0.524 340 G N -0.020 108.803 108.800 0.038 0.000 2.155 340 G HA2 -0.385 3.578 3.960 0.004 0.000 0.257 340 G HA3 -0.385 3.578 3.960 0.004 0.000 0.257 340 G C 1.255 176.177 174.900 0.036 0.000 0.983 340 G CA 1.137 46.261 45.100 0.040 0.000 0.676 340 G HN 0.639 nan 8.290 nan 0.000 0.528 341 S N -1.324 114.395 115.700 0.032 0.000 2.359 341 S HA 0.118 4.590 4.470 0.004 0.000 0.223 341 S C 1.284 175.904 174.600 0.032 0.000 1.039 341 S CA 2.023 60.239 58.200 0.027 0.000 1.042 341 S CB -0.585 62.627 63.200 0.020 0.000 0.915 341 S HN 2.013 nan 8.310 nan 0.000 0.439 342 V N -2.993 116.946 119.914 0.041 0.000 3.040 342 V HA 0.572 4.694 4.120 0.004 0.000 0.312 342 V C -2.440 173.701 176.094 0.077 0.000 1.115 342 V CA -2.240 60.091 62.300 0.051 0.000 0.998 342 V CB 1.313 33.163 31.823 0.045 0.000 1.042 342 V HN -0.079 nan 8.190 nan 0.000 0.433 343 P HA 0.196 nan 4.420 nan 0.000 0.217 343 P C 0.287 177.725 177.300 0.230 0.000 1.150 343 P CA 2.085 65.269 63.100 0.139 0.000 0.832 343 P CB 0.189 31.964 31.700 0.125 0.000 0.787 344 A N -1.878 121.032 122.820 0.150 0.000 2.608 344 A HA 0.657 4.979 4.320 0.004 0.000 0.292 344 A C -1.917 175.637 177.584 -0.049 0.000 1.066 344 A CA -0.537 51.520 52.037 0.033 0.000 0.676 344 A CB 0.531 19.554 19.000 0.039 0.000 1.277 344 A HN -0.053 nan 8.150 nan 0.000 0.413 345 L N 1.290 122.386 121.223 -0.212 0.000 2.362 345 L HA 0.557 4.899 4.340 0.004 0.000 0.275 345 L C -1.155 175.545 176.870 -0.283 0.000 0.998 345 L CA -0.628 54.128 54.840 -0.140 0.000 0.820 345 L CB 2.165 44.154 42.059 -0.116 0.000 1.270 345 L HN 0.825 nan 8.230 nan 0.000 0.415 346 H N 1.564 120.578 119.070 -0.093 0.000 2.551 346 H HA 0.729 5.287 4.556 0.003 0.000 0.321 346 H C 0.227 175.505 175.328 -0.084 0.000 1.028 346 H CA -0.131 55.864 56.048 -0.089 0.000 1.215 346 H CB 1.839 31.547 29.762 -0.090 0.000 1.414 346 H HN 0.752 nan 8.280 nan 0.000 0.480 347 G N 0.818 109.612 108.800 -0.011 0.000 2.896 347 G HA2 0.453 4.415 3.960 0.004 0.000 0.247 347 G HA3 0.453 4.415 3.960 0.004 0.000 0.247 347 G C -0.196 174.599 174.900 -0.176 0.000 1.187 347 G CA -0.350 44.706 45.100 -0.073 0.000 0.837 347 G HN 0.630 nan 8.290 nan 0.000 0.559 348 G N 0.047 108.619 108.800 -0.379 0.000 4.716 348 G HA2 0.295 4.257 3.960 0.004 0.000 0.282 348 G HA3 0.295 4.257 3.960 0.004 0.000 0.282 348 G C 0.174 174.495 174.900 -0.964 0.000 1.173 348 G CA -0.188 44.338 45.100 -0.957 0.000 0.913 348 G HN 0.255 nan 8.290 nan 0.000 0.566 349 N N 0.852 119.195 118.700 -0.595 0.000 2.571 349 N HA -0.022 4.720 4.740 0.004 0.000 0.189 349 N C 1.363 176.717 175.510 -0.259 0.000 1.154 349 N CA 0.222 53.070 53.050 -0.337 0.000 0.907 349 N CB -0.139 38.241 38.487 -0.177 0.000 0.977 349 N HN 0.635 nan 8.380 nan 0.000 0.449 350 F N -1.513 118.424 119.950 -0.021 0.000 2.765 350 F HA 0.371 4.900 4.527 0.003 0.000 0.302 350 F C 0.747 176.547 175.800 0.000 0.000 1.111 350 F CA -0.872 57.120 58.000 -0.012 0.000 1.359 350 F CB -0.620 38.375 39.000 -0.008 0.000 1.097 350 F HN -0.166 nan 8.300 nan 0.000 0.577 351 M N 2.670 122.184 119.600 -0.144 0.000 2.266 351 M HA 0.401 4.883 4.480 0.004 0.000 0.340 351 M C 0.919 177.245 176.300 0.044 0.000 1.486 351 M CA -0.514 54.801 55.300 0.025 0.000 1.209 351 M CB 0.289 32.829 32.600 -0.101 0.000 1.714 351 M HN 0.231 nan 8.290 nan 0.000 0.459 352 G N 3.358 112.210 108.800 0.087 0.000 3.452 352 G HA2 0.040 4.002 3.960 0.004 0.000 0.258 352 G HA3 0.040 4.002 3.960 0.004 0.000 0.258 352 G C 0.677 175.612 174.900 0.059 0.000 1.305 352 G CA -0.196 44.944 45.100 0.067 0.000 1.514 352 G HN 0.808 nan 8.290 nan 0.000 0.593 353 Q N 0.037 119.871 119.800 0.057 0.000 2.167 353 Q HA -0.106 4.236 4.340 0.004 0.000 0.202 353 Q C 1.934 177.913 176.000 -0.035 0.000 0.970 353 Q CA 1.503 57.309 55.803 0.006 0.000 0.855 353 Q CB -0.126 28.595 28.738 -0.029 0.000 0.911 353 Q HN 0.715 nan 8.270 nan 0.000 0.438 354 H N -1.702 117.342 119.070 -0.042 0.000 2.321 354 H HA -0.067 4.491 4.556 0.004 0.000 0.300 354 H C 1.823 177.068 175.328 -0.138 0.000 1.087 354 H CA 1.754 57.752 56.048 -0.084 0.000 1.319 354 H CB -0.077 29.621 29.762 -0.105 0.000 1.379 354 H HN 0.070 nan 8.280 nan 0.000 0.501 355 V N 0.507 120.425 119.914 0.005 0.000 2.515 355 V HA -0.221 3.901 4.120 0.004 0.000 0.250 355 V C 2.470 178.549 176.094 -0.026 0.000 1.058 355 V CA 1.390 63.652 62.300 -0.063 0.000 1.064 355 V CB -0.886 30.912 31.823 -0.042 0.000 0.675 355 V HN 0.574 nan 8.190 nan 0.000 0.461 356 A N -0.005 122.817 122.820 0.002 0.000 1.858 356 A HA -0.166 4.156 4.320 0.004 0.000 0.216 356 A C 2.197 179.796 177.584 0.026 0.000 1.190 356 A CA 1.827 53.876 52.037 0.021 0.000 0.617 356 A CB -0.534 18.480 19.000 0.024 0.000 0.827 356 A HN 0.482 nan 8.150 nan 0.000 0.443 357 L N -0.114 121.116 121.223 0.011 0.000 2.056 357 L HA -0.162 4.181 4.340 0.004 0.000 0.207 357 L C 3.006 179.933 176.870 0.094 0.000 1.078 357 L CA 1.858 56.737 54.840 0.065 0.000 0.749 357 L CB -0.981 41.131 42.059 0.090 0.000 0.901 357 L HN 0.672 nan 8.230 nan 0.000 0.433 358 T N -4.600 109.906 114.554 -0.080 0.000 2.867 358 T HA -0.101 4.251 4.350 0.004 0.000 0.268 358 T C 2.022 176.806 174.700 0.139 0.000 1.057 358 T CA 1.277 63.284 62.100 -0.155 0.000 1.136 358 T CB -0.240 68.310 68.868 -0.531 0.000 0.874 358 T HN 0.123 nan 8.240 nan 0.000 0.466 359 S N 1.578 117.351 115.700 0.121 0.000 2.368 359 S HA -0.092 4.381 4.470 0.004 0.000 0.224 359 S C 1.853 176.522 174.600 0.114 0.000 1.029 359 S CA 1.185 59.480 58.200 0.160 0.000 0.988 359 S CB -0.527 62.741 63.200 0.112 0.000 0.838 359 S HN 0.519 nan 8.310 nan 0.000 0.462 360 D N 1.632 122.092 120.400 0.100 0.000 2.117 360 D HA 0.006 4.648 4.640 0.004 0.000 0.197 360 D C 2.122 178.481 176.300 0.098 0.000 0.987 360 D CA 1.214 55.265 54.000 0.085 0.000 0.829 360 D CB -0.427 40.417 40.800 0.073 0.000 0.961 360 D HN 0.371 nan 8.370 nan 0.000 0.460 361 A N 0.625 123.540 122.820 0.159 0.000 1.898 361 A HA -0.122 4.200 4.320 0.004 0.000 0.216 361 A C 2.144 179.806 177.584 0.130 0.000 1.181 361 A CA 0.917 53.064 52.037 0.183 0.000 0.620 361 A CB -0.647 18.583 19.000 0.383 0.000 0.819 361 A HN 0.248 nan 8.150 nan 0.000 0.442 362 L N -0.269 121.030 121.223 0.126 0.000 2.093 362 L HA -0.004 4.338 4.340 0.004 0.000 0.208 362 L C 2.608 179.473 176.870 -0.008 0.000 1.085 362 L CA 2.020 56.881 54.840 0.035 0.000 0.755 362 L CB -0.729 41.284 42.059 -0.077 0.000 0.904 362 L HN 0.328 nan 8.230 nan 0.000 0.435 363 A N -1.527 121.302 122.820 0.015 0.000 1.933 363 A HA -0.199 4.123 4.320 0.004 0.000 0.218 363 A C 2.259 179.823 177.584 -0.034 0.000 1.175 363 A CA 2.263 54.298 52.037 -0.002 0.000 0.628 363 A CB -1.168 17.846 19.000 0.025 0.000 0.814 363 A HN 0.504 nan 8.150 nan 0.000 0.444 364 T N 0.241 114.784 114.554 -0.019 0.000 2.708 364 T HA -0.012 4.340 4.350 0.004 0.000 0.266 364 T C 2.256 176.902 174.700 -0.090 0.000 1.037 364 T CA 1.600 63.676 62.100 -0.040 0.000 1.146 364 T CB -0.472 68.387 68.868 -0.016 0.000 0.865 364 T HN 0.603 nan 8.240 nan 0.000 0.435 365 A N 0.996 123.764 122.820 -0.086 0.000 1.908 365 A HA -0.069 4.253 4.320 0.004 0.000 0.218 365 A C 2.589 180.005 177.584 -0.281 0.000 1.181 365 A CA 1.433 53.385 52.037 -0.141 0.000 0.627 365 A CB -1.093 17.859 19.000 -0.079 0.000 0.818 365 A HN 0.349 nan 8.150 nan 0.000 0.445 366 V N -0.215 119.523 119.914 -0.294 0.000 2.332 366 V HA -0.246 3.876 4.120 0.004 0.000 0.248 366 V C 2.755 178.523 176.094 -0.542 0.000 1.055 366 V CA 2.521 64.504 62.300 -0.530 0.000 1.038 366 V CB -1.240 30.446 31.823 -0.230 0.000 0.651 366 V HN 0.626 nan 8.190 nan 0.000 0.450 367 T N -0.245 114.140 114.554 -0.281 0.000 2.788 367 T HA -0.154 4.199 4.350 0.004 0.000 0.268 367 T C 1.932 176.497 174.700 -0.225 0.000 1.044 367 T CA 1.560 63.537 62.100 -0.205 0.000 1.139 367 T CB -0.197 68.608 68.868 -0.106 0.000 0.867 367 T HN 0.283 nan 8.240 nan 0.000 0.454 368 V N 1.178 120.957 119.914 -0.225 0.000 2.295 368 V HA -0.100 4.023 4.120 0.004 0.000 0.246 368 V C 2.389 178.338 176.094 -0.241 0.000 1.049 368 V CA 1.333 63.520 62.300 -0.189 0.000 1.024 368 V CB -0.556 31.171 31.823 -0.161 0.000 0.648 368 V HN 0.321 nan 8.190 nan 0.000 0.447 369 L N 0.302 121.285 121.223 -0.401 0.000 2.141 369 L HA -0.034 4.308 4.340 0.004 0.000 0.209 369 L C 2.536 179.180 176.870 -0.377 0.000 1.094 369 L CA 2.021 56.609 54.840 -0.419 0.000 0.763 369 L CB -1.176 40.502 42.059 -0.634 0.000 0.908 369 L HN 0.285 nan 8.230 nan 0.000 0.437 370 A N -0.540 121.931 122.820 -0.583 0.000 1.969 370 A HA -0.051 4.272 4.320 0.004 0.000 0.218 370 A C 2.433 179.991 177.584 -0.044 0.000 1.169 370 A CA 1.452 53.352 52.037 -0.229 0.000 0.635 370 A CB -1.210 17.680 19.000 -0.184 0.000 0.810 370 A HN 0.416 nan 8.150 nan 0.000 0.445 371 G N -0.025 108.719 108.800 -0.093 0.000 2.418 371 G HA2 -0.146 3.816 3.960 0.004 0.000 0.217 371 G HA3 -0.146 3.816 3.960 0.004 0.000 0.217 371 G C 1.479 176.378 174.900 -0.001 0.000 1.158 371 G CA 1.219 46.298 45.100 -0.034 0.000 0.771 371 G HN 0.505 nan 8.290 nan 0.000 0.545 372 L N 1.456 122.673 121.223 -0.009 0.000 1.994 372 L HA 0.146 4.489 4.340 0.004 0.000 0.208 372 L C 3.026 179.937 176.870 0.070 0.000 1.071 372 L CA 2.373 57.230 54.840 0.028 0.000 0.745 372 L CB -0.867 41.200 42.059 0.015 0.000 0.892 372 L HN 0.215 nan 8.230 nan 0.000 0.431 373 A N -0.940 121.947 122.820 0.113 0.000 1.933 373 A HA -0.227 4.095 4.320 0.004 0.000 0.218 373 A C 2.319 179.961 177.584 0.097 0.000 1.175 373 A CA 1.708 53.828 52.037 0.139 0.000 0.628 373 A CB -0.754 18.386 19.000 0.234 0.000 0.814 373 A HN 0.615 nan 8.150 nan 0.000 0.444 374 E N -0.020 120.230 120.200 0.084 0.000 2.077 374 E HA -0.188 4.164 4.350 0.004 0.000 0.193 374 E C 2.018 178.651 176.600 0.054 0.000 0.989 374 E CA 0.827 57.266 56.400 0.065 0.000 0.800 374 E CB -0.200 29.532 29.700 0.054 0.000 0.746 374 E HN 0.371 nan 8.360 nan 0.000 0.452 375 R N 0.361 120.891 120.500 0.049 0.000 2.148 375 R HA -0.029 4.313 4.340 0.004 0.000 0.223 375 R C 2.319 178.646 176.300 0.046 0.000 1.088 375 R CA 0.730 56.856 56.100 0.043 0.000 0.985 375 R CB -0.323 30.001 30.300 0.040 0.000 0.880 375 R HN 0.402 nan 8.270 nan 0.000 0.451 376 Q N -0.057 119.776 119.800 0.055 0.000 2.123 376 Q HA -0.007 4.335 4.340 0.004 0.000 0.199 376 Q C 2.147 178.169 176.000 0.035 0.000 0.966 376 Q CA 0.996 56.831 55.803 0.054 0.000 0.845 376 Q CB -0.012 28.768 28.738 0.070 0.000 0.907 376 Q HN 0.306 nan 8.270 nan 0.000 0.439 377 I N 0.593 121.185 120.570 0.036 0.000 2.202 377 I HA -0.244 3.928 4.170 0.004 0.000 0.242 377 I C 2.439 178.576 176.117 0.034 0.000 1.091 377 I CA 0.889 62.203 61.300 0.023 0.000 1.368 377 I CB -0.431 37.589 38.000 0.033 0.000 1.058 377 I HN 0.136 nan 8.210 nan 0.000 0.410 378 A N 0.881 123.728 122.820 0.045 0.000 1.940 378 A HA -0.265 4.057 4.320 0.004 0.000 0.219 378 A C 2.443 180.035 177.584 0.013 0.000 1.176 378 A CA 2.034 54.099 52.037 0.046 0.000 0.631 378 A CB -0.657 18.370 19.000 0.046 0.000 0.814 378 A HN 0.399 nan 8.150 nan 0.000 0.446 379 R N -1.014 119.491 120.500 0.008 0.000 2.062 379 R HA -0.028 4.314 4.340 0.004 0.000 0.226 379 R C 2.037 178.321 176.300 -0.026 0.000 1.125 379 R CA 1.377 57.472 56.100 -0.008 0.000 0.966 379 R CB -0.418 29.887 30.300 0.007 0.000 0.861 379 R HN 0.387 nan 8.270 nan 0.000 0.433 380 L N 1.205 122.418 121.223 -0.017 0.000 2.127 380 L HA -0.124 4.218 4.340 0.004 0.000 0.211 380 L C 2.013 178.849 176.870 -0.056 0.000 1.089 380 L CA 2.457 57.279 54.840 -0.031 0.000 0.757 380 L CB -0.494 41.547 42.059 -0.029 0.000 0.899 380 L HN 0.466 nan 8.230 nan 0.000 0.434 381 T N -4.371 110.146 114.554 -0.061 0.000 3.107 381 T HA 0.029 4.381 4.350 0.004 0.000 0.249 381 T C 0.730 175.202 174.700 -0.380 0.000 1.096 381 T CA -0.127 61.899 62.100 -0.124 0.000 1.012 381 T CB -0.442 68.460 68.868 0.057 0.000 0.977 381 T HN 0.248 nan 8.240 nan 0.000 0.527 382 D N 2.630 122.879 120.400 -0.251 0.000 2.347 382 D HA 0.072 4.715 4.640 0.004 0.000 0.235 382 D C 1.320 177.500 176.300 -0.201 0.000 1.149 382 D CA -0.299 53.538 54.000 -0.271 0.000 0.850 382 D CB 1.286 42.008 40.800 -0.130 0.000 1.061 382 D HN 0.617 nan 8.370 nan 0.000 0.487 383 E N 3.389 123.451 120.200 -0.230 0.000 2.267 383 E HA -0.204 4.148 4.350 0.004 0.000 0.197 383 E C 1.023 177.579 176.600 -0.074 0.000 0.998 383 E CA 0.778 57.104 56.400 -0.123 0.000 0.830 383 E CB 0.058 29.703 29.700 -0.091 0.000 0.751 383 E HN 0.381 nan 8.360 nan 0.000 0.491 384 R N 0.066 120.522 120.500 -0.074 0.000 2.275 384 R HA 0.155 4.497 4.340 0.004 0.000 0.199 384 R C 1.661 177.936 176.300 -0.042 0.000 0.989 384 R CA 0.576 56.649 56.100 -0.045 0.000 1.016 384 R CB 0.168 30.446 30.300 -0.036 0.000 0.918 384 R HN 0.296 nan 8.270 nan 0.000 0.473 385 L N -0.089 121.103 121.223 -0.052 0.000 2.878 385 L HA 0.115 4.457 4.340 0.004 0.000 0.253 385 L C 0.525 177.373 176.870 -0.037 0.000 1.135 385 L CA -0.124 54.692 54.840 -0.040 0.000 0.943 385 L CB 0.212 42.248 42.059 -0.038 0.000 1.307 385 L HN 0.092 nan 8.230 nan 0.000 0.545 386 N N 0.897 119.568 118.700 -0.047 0.000 2.362 386 N HA -0.023 4.719 4.740 0.004 0.000 0.211 386 N C 0.051 175.545 175.510 -0.028 0.000 1.170 386 N CA -0.318 52.709 53.050 -0.038 0.000 0.828 386 N CB -0.192 38.264 38.487 -0.050 0.000 1.034 386 N HN 0.057 nan 8.380 nan 0.000 0.475 387 R N -0.335 120.151 120.500 -0.025 0.000 3.188 387 R HA -0.178 4.164 4.340 0.004 0.000 0.247 387 R C 0.790 177.081 176.300 -0.016 0.000 0.918 387 R CA 0.541 56.630 56.100 -0.018 0.000 0.629 387 R CB -2.038 28.253 30.300 -0.015 0.000 1.087 387 R HN 0.645 nan 8.270 nan 0.000 0.462 388 G N -1.036 107.754 108.800 -0.017 0.000 2.176 388 G HA2 -0.296 3.666 3.960 0.004 0.000 0.232 388 G HA3 -0.296 3.666 3.960 0.004 0.000 0.232 388 G C 0.241 175.133 174.900 -0.013 0.000 0.986 388 G CA 0.040 45.133 45.100 -0.012 0.000 0.643 388 G HN 0.272 nan 8.290 nan 0.000 0.522 389 L N 1.346 122.558 121.223 -0.019 0.000 2.418 389 L HA 0.435 4.778 4.340 0.004 0.000 0.265 389 L C -1.607 175.252 176.870 -0.017 0.000 1.143 389 L CA -2.098 52.731 54.840 -0.019 0.000 0.809 389 L CB 0.707 42.754 42.059 -0.020 0.000 1.124 389 L HN -0.098 nan 8.230 nan 0.000 0.456 390 P HA 0.043 nan 4.420 nan 0.000 0.268 390 P C -2.489 174.853 177.300 0.070 0.000 1.208 390 P CA -0.896 62.213 63.100 0.015 0.000 0.777 390 P CB -0.203 31.401 31.700 -0.160 0.000 0.875 391 P HA 0.007 nan 4.420 nan 0.000 0.267 391 P C -0.277 177.114 177.300 0.152 0.000 1.209 391 P CA 0.310 63.395 63.100 -0.025 0.000 0.763 391 P CB -0.164 31.571 31.700 0.057 0.000 0.816 392 F N 1.645 121.694 119.950 0.165 0.000 3.069 392 F HA -0.239 4.288 4.527 0.001 0.000 0.285 392 F C 1.261 177.238 175.800 0.295 0.000 0.827 392 F CA 0.300 58.423 58.000 0.204 0.000 1.108 392 F CB -2.592 36.516 39.000 0.181 0.000 1.252 392 F HN 0.270 nan 8.300 nan 0.000 0.483 393 L N -1.485 119.910 121.223 0.287 0.000 3.737 393 L HA -0.312 4.030 4.340 0.004 0.000 0.418 393 L C 1.280 178.312 176.870 0.271 0.000 1.216 393 L CA 1.052 56.039 54.840 0.244 0.000 0.915 393 L CB -1.864 40.351 42.059 0.260 0.000 1.834 393 L HN 0.689 nan 8.230 nan 0.000 0.943 394 H N 0.328 119.521 119.070 0.205 0.000 2.546 394 H HA 0.698 5.256 4.556 0.004 0.000 0.365 394 H C 0.266 175.650 175.328 0.093 0.000 1.220 394 H CA -0.556 55.571 56.048 0.131 0.000 1.386 394 H CB 0.978 30.808 29.762 0.112 0.000 1.510 394 H HN 0.299 nan 8.280 nan 0.000 0.591 395 R N -0.156 120.343 120.500 -0.001 0.000 2.919 395 R HA 0.477 4.819 4.340 0.004 0.000 0.260 395 R C -0.171 176.217 176.300 0.146 0.000 1.067 395 R CA -0.297 55.780 56.100 -0.038 0.000 1.003 395 R CB 1.913 32.216 30.300 0.005 0.000 1.192 395 R HN 1.075 nan 8.270 nan 0.000 0.488 396 G N 1.075 109.934 108.800 0.098 0.000 2.741 396 G HA2 -0.200 3.762 3.960 0.004 0.000 0.222 396 G HA3 -0.200 3.762 3.960 0.004 0.000 0.222 396 G C -2.678 172.338 174.900 0.193 0.000 1.364 396 G CA -1.132 44.040 45.100 0.120 0.000 0.866 396 G HN 0.393 nan 8.290 nan 0.000 0.555 397 P HA 0.497 nan 4.420 nan 0.000 0.271 397 P C 0.291 177.618 177.300 0.046 0.000 1.220 397 P CA 0.700 63.860 63.100 0.100 0.000 0.768 397 P CB 0.940 32.667 31.700 0.045 0.000 0.848 398 A N 3.197 126.027 122.820 0.016 0.000 2.445 398 A HA 0.505 4.827 4.320 0.004 0.000 0.242 398 A C 1.537 179.025 177.584 -0.160 0.000 1.075 398 A CA 0.792 52.662 52.037 -0.279 0.000 0.777 398 A CB -0.912 18.012 19.000 -0.128 0.000 1.013 398 A HN 0.801 nan 8.150 nan 0.000 0.493 399 G N 0.414 109.098 108.800 -0.193 0.000 3.206 399 G HA2 -0.300 3.662 3.960 0.004 0.000 0.217 399 G HA3 -0.300 3.662 3.960 0.004 0.000 0.217 399 G C 1.096 175.945 174.900 -0.085 0.000 1.350 399 G CA 0.499 45.540 45.100 -0.097 0.000 0.836 399 G HN 0.837 nan 8.290 nan 0.000 0.548 400 L N 0.947 122.129 121.223 -0.068 0.000 2.141 400 L HA 0.135 4.478 4.340 0.004 0.000 0.209 400 L C 0.837 177.675 176.870 -0.053 0.000 1.094 400 L CA 0.976 55.789 54.840 -0.045 0.000 0.763 400 L CB -0.295 41.752 42.059 -0.021 0.000 0.908 400 L HN 0.301 nan 8.230 nan 0.000 0.437 401 N N -1.222 117.429 118.700 -0.081 0.000 2.321 401 N HA 0.213 4.955 4.740 0.004 0.000 0.299 401 N C -0.077 175.355 175.510 -0.130 0.000 1.048 401 N CA -0.103 52.910 53.050 -0.062 0.000 0.836 401 N CB 2.103 40.617 38.487 0.044 0.000 1.269 401 N HN -0.205 nan 8.380 nan 0.000 0.486 402 S N 0.047 115.705 115.700 -0.070 0.000 2.603 402 S HA 0.258 4.730 4.470 0.004 0.000 0.232 402 S C 1.256 175.875 174.600 0.032 0.000 1.016 402 S CA -0.013 58.149 58.200 -0.064 0.000 0.976 402 S CB 0.492 63.604 63.200 -0.146 0.000 0.921 402 S HN 0.917 nan 8.310 nan 0.000 0.516 403 G N 2.560 111.388 108.800 0.047 0.000 2.660 403 G HA2 -0.349 3.613 3.960 0.004 0.000 0.321 403 G HA3 -0.349 3.613 3.960 0.004 0.000 0.321 403 G C 0.221 175.021 174.900 -0.167 0.000 1.246 403 G CA 0.863 45.959 45.100 -0.007 0.000 1.000 403 G HN 0.472 nan 8.290 nan 0.000 0.550 404 F N 1.420 121.456 119.950 0.143 0.000 2.663 404 F HA 0.460 4.988 4.527 0.002 0.000 0.299 404 F C 2.352 178.187 175.800 0.057 0.000 1.143 404 F CA 0.901 58.962 58.000 0.102 0.000 1.387 404 F CB 0.138 39.217 39.000 0.131 0.000 1.019 404 F HN 0.338 nan 8.300 nan 0.000 0.523 405 M N -0.066 119.519 119.600 -0.027 0.000 2.159 405 M HA -0.099 4.383 4.480 0.004 0.000 0.263 405 M C 2.314 178.487 176.300 -0.212 0.000 1.063 405 M CA 2.180 57.195 55.300 -0.474 0.000 1.110 405 M CB -0.378 31.642 32.600 -0.967 0.000 1.374 405 M HN 0.315 nan 8.290 nan 0.000 0.411 406 G N -0.733 107.998 108.800 -0.114 0.000 2.394 406 G HA2 -0.065 3.897 3.960 0.004 0.000 0.215 406 G HA3 -0.065 3.897 3.960 0.004 0.000 0.215 406 G C 1.490 176.396 174.900 0.011 0.000 1.165 406 G CA 0.672 45.736 45.100 -0.061 0.000 0.784 406 G HN 0.603 nan 8.290 nan 0.000 0.535 407 A N 0.041 122.904 122.820 0.072 0.000 1.940 407 A HA -0.105 4.217 4.320 0.004 0.000 0.219 407 A C 2.265 179.921 177.584 0.119 0.000 1.176 407 A CA 2.037 54.149 52.037 0.124 0.000 0.631 407 A CB -0.416 18.737 19.000 0.256 0.000 0.814 407 A HN 0.382 nan 8.150 nan 0.000 0.446 408 Q N 0.051 119.938 119.800 0.146 0.000 2.084 408 Q HA -0.118 4.224 4.340 0.004 0.000 0.202 408 Q C 2.085 178.141 176.000 0.094 0.000 0.978 408 Q CA 2.001 57.890 55.803 0.143 0.000 0.844 408 Q CB -0.277 28.604 28.738 0.237 0.000 0.898 408 Q HN 0.436 nan 8.270 nan 0.000 0.426 409 V N 0.507 120.458 119.914 0.061 0.000 2.427 409 V HA -0.197 3.925 4.120 0.004 0.000 0.248 409 V C 2.333 178.449 176.094 0.036 0.000 1.051 409 V CA 1.990 64.313 62.300 0.039 0.000 1.048 409 V CB -0.780 31.048 31.823 0.008 0.000 0.666 409 V HN 0.369 nan 8.190 nan 0.000 0.456 410 T N 0.409 114.985 114.554 0.037 0.000 2.788 410 T HA -0.150 4.202 4.350 0.004 0.000 0.268 410 T C 2.063 176.787 174.700 0.040 0.000 1.044 410 T CA 1.578 63.698 62.100 0.034 0.000 1.139 410 T CB -0.341 68.548 68.868 0.034 0.000 0.867 410 T HN 0.574 nan 8.240 nan 0.000 0.454 411 A N 1.188 124.038 122.820 0.051 0.000 1.902 411 A HA -0.113 4.209 4.320 0.004 0.000 0.217 411 A C 2.545 180.160 177.584 0.050 0.000 1.181 411 A CA 2.017 54.086 52.037 0.053 0.000 0.623 411 A CB -1.163 17.872 19.000 0.058 0.000 0.818 411 A HN 0.469 nan 8.150 nan 0.000 0.443 412 T N 0.301 114.884 114.554 0.049 0.000 2.788 412 T HA 0.004 4.356 4.350 0.004 0.000 0.268 412 T C 2.207 176.927 174.700 0.034 0.000 1.044 412 T CA 1.457 63.582 62.100 0.042 0.000 1.139 412 T CB -0.414 68.480 68.868 0.043 0.000 0.867 412 T HN 0.591 nan 8.240 nan 0.000 0.454 413 A N 1.398 124.238 122.820 0.032 0.000 1.902 413 A HA 0.007 4.329 4.320 0.004 0.000 0.217 413 A C 2.298 179.899 177.584 0.028 0.000 1.181 413 A CA 1.187 53.240 52.037 0.026 0.000 0.623 413 A CB -0.858 18.156 19.000 0.022 0.000 0.818 413 A HN 0.474 nan 8.150 nan 0.000 0.443 414 L N -1.116 120.127 121.223 0.034 0.000 2.046 414 L HA -0.187 4.155 4.340 0.004 0.000 0.208 414 L C 2.583 179.476 176.870 0.040 0.000 1.077 414 L CA 1.280 56.144 54.840 0.039 0.000 0.747 414 L CB -0.620 41.468 42.059 0.049 0.000 0.896 414 L HN 0.470 nan 8.230 nan 0.000 0.432 415 L N 0.350 121.597 121.223 0.039 0.000 2.017 415 L HA -0.136 4.206 4.340 0.004 0.000 0.208 415 L C 2.669 179.550 176.870 0.019 0.000 1.073 415 L CA 2.047 56.905 54.840 0.029 0.000 0.745 415 L CB -0.793 41.282 42.059 0.027 0.000 0.894 415 L HN 0.141 nan 8.230 nan 0.000 0.432 416 A N -0.875 121.957 122.820 0.020 0.000 1.940 416 A HA -0.296 4.026 4.320 0.004 0.000 0.219 416 A C 2.331 179.924 177.584 0.015 0.000 1.176 416 A CA 1.950 53.996 52.037 0.015 0.000 0.631 416 A CB -0.770 18.239 19.000 0.016 0.000 0.814 416 A HN 0.656 nan 8.150 nan 0.000 0.446 417 E N -0.619 119.592 120.200 0.019 0.000 2.072 417 E HA -0.186 4.166 4.350 0.004 0.000 0.191 417 E C 2.044 178.656 176.600 0.019 0.000 0.985 417 E CA 1.344 57.755 56.400 0.019 0.000 0.801 417 E CB -0.210 29.504 29.700 0.022 0.000 0.750 417 E HN 0.681 nan 8.360 nan 0.000 0.452 418 M N 0.036 119.649 119.600 0.021 0.000 2.108 418 M HA -0.180 4.303 4.480 0.004 0.000 0.261 418 M C 2.307 178.612 176.300 0.009 0.000 1.066 418 M CA 1.565 56.876 55.300 0.017 0.000 1.107 418 M CB -0.221 32.386 32.600 0.012 0.000 1.356 418 M HN 0.017 nan 8.290 nan 0.000 0.406 419 R N 0.141 120.644 120.500 0.005 0.000 2.189 419 R HA -0.024 4.318 4.340 0.004 0.000 0.223 419 R C 2.202 178.507 176.300 0.009 0.000 1.092 419 R CA 1.101 57.203 56.100 0.002 0.000 0.989 419 R CB -0.441 29.859 30.300 0.000 0.000 0.876 419 R HN 0.379 nan 8.270 nan 0.000 0.457 420 A N 0.547 123.374 122.820 0.013 0.000 2.119 420 A HA -0.019 4.303 4.320 0.004 0.000 0.217 420 A C 0.761 178.357 177.584 0.020 0.000 1.153 420 A CA 0.843 52.889 52.037 0.015 0.000 0.692 420 A CB 0.125 19.133 19.000 0.013 0.000 0.799 420 A HN 0.095 nan 8.150 nan 0.000 0.458 421 T N 0.215 114.782 114.554 0.022 0.000 2.771 421 T HA 0.547 4.899 4.350 0.004 0.000 0.281 421 T C 0.479 175.202 174.700 0.039 0.000 0.982 421 T CA 0.057 62.176 62.100 0.031 0.000 0.978 421 T CB 1.505 70.391 68.868 0.030 0.000 0.930 421 T HN 0.363 nan 8.240 nan 0.000 0.447 422 G N 3.138 111.973 108.800 0.059 0.000 2.828 422 G HA2 0.663 4.625 3.960 0.004 0.000 0.244 422 G HA3 0.663 4.625 3.960 0.004 0.000 0.244 422 G C -2.627 172.319 174.900 0.078 0.000 1.365 422 G CA -1.563 43.575 45.100 0.063 0.000 1.041 422 G HN 0.436 nan 8.290 nan 0.000 0.560 423 P HA 0.277 nan 4.420 nan 0.000 0.266 423 P C 0.331 177.687 177.300 0.094 0.000 1.195 423 P CA 0.311 63.444 63.100 0.054 0.000 0.768 423 P CB 1.402 33.109 31.700 0.012 0.000 0.838 424 A N 2.145 125.025 122.820 0.101 0.000 1.984 424 A HA -0.055 4.267 4.320 0.004 0.000 0.214 424 A C 2.071 179.718 177.584 0.105 0.000 1.173 424 A CA 1.135 53.269 52.037 0.161 0.000 0.673 424 A CB -1.084 17.983 19.000 0.112 0.000 0.830 424 A HN 0.479 nan 8.150 nan 0.000 0.453 425 S N 0.631 116.350 115.700 0.032 0.000 2.402 425 S HA -0.194 4.278 4.470 0.004 0.000 0.233 425 S C 1.706 176.267 174.600 -0.064 0.000 1.030 425 S CA 1.596 59.797 58.200 0.000 0.000 1.003 425 S CB -0.731 62.471 63.200 0.002 0.000 0.813 425 S HN 0.795 nan 8.310 nan 0.000 0.477 426 I N -1.157 119.298 120.570 -0.191 0.000 3.334 426 I HA 0.026 4.198 4.170 0.004 0.000 0.282 426 I C 0.622 176.522 176.117 -0.362 0.000 1.313 426 I CA 1.031 62.156 61.300 -0.292 0.000 1.396 426 I CB -0.372 37.404 38.000 -0.374 0.000 1.054 426 I HN 0.175 nan 8.210 nan 0.000 0.495 427 H N 1.334 120.416 119.070 0.019 0.000 2.550 427 H HA 0.321 4.879 4.556 0.003 0.000 0.304 427 H C 0.581 175.922 175.328 0.021 0.000 1.086 427 H CA -0.251 55.809 56.048 0.019 0.000 1.089 427 H CB 0.053 29.827 29.762 0.019 0.000 1.528 427 H HN 0.291 nan 8.280 nan 0.000 0.539 428 S N 1.234 116.982 115.700 0.079 0.000 2.549 428 S HA 0.222 4.694 4.470 0.004 0.000 0.286 428 S C 0.286 174.926 174.600 0.066 0.000 1.314 428 S CA -0.220 58.020 58.200 0.067 0.000 1.062 428 S CB 0.058 63.282 63.200 0.041 0.000 0.865 428 S HN 0.315 nan 8.310 nan 0.000 0.498 429 I N 3.179 123.785 120.570 0.061 0.000 2.569 429 I HA 0.225 4.397 4.170 0.004 0.000 0.290 429 I C 0.018 176.161 176.117 0.045 0.000 1.088 429 I CA -0.641 60.690 61.300 0.052 0.000 1.047 429 I CB 2.166 40.196 38.000 0.051 0.000 1.237 429 I HN 0.573 nan 8.210 nan 0.000 0.421 430 S N 3.875 119.599 115.700 0.039 0.000 2.533 430 S HA 0.326 4.798 4.470 0.004 0.000 0.282 430 S C -0.231 174.391 174.600 0.036 0.000 1.304 430 S CA 0.377 58.599 58.200 0.037 0.000 1.063 430 S CB 0.360 63.578 63.200 0.031 0.000 0.881 430 S HN 0.779 nan 8.310 nan 0.000 0.493 431 T N 2.953 117.530 114.554 0.038 0.000 2.681 431 T HA 0.410 4.762 4.350 0.004 0.000 0.296 431 T C -0.378 174.345 174.700 0.038 0.000 1.157 431 T CA -0.113 62.009 62.100 0.037 0.000 1.025 431 T CB 0.751 69.643 68.868 0.039 0.000 1.441 431 T HN 0.909 nan 8.240 nan 0.000 0.504 432 N N 0.556 119.279 118.700 0.037 0.000 2.738 432 N HA -0.215 4.527 4.740 0.004 0.000 0.249 432 N C 0.271 175.801 175.510 0.033 0.000 1.047 432 N CA 0.776 53.849 53.050 0.039 0.000 0.707 432 N CB -1.179 37.336 38.487 0.048 0.000 0.937 432 N HN 1.585 nan 8.380 nan 0.000 0.545 433 A N -0.836 121.999 122.820 0.026 0.000 2.822 433 A HA 0.010 4.332 4.320 0.004 0.000 0.287 433 A C 1.321 178.919 177.584 0.024 0.000 1.479 433 A CA 2.022 54.072 52.037 0.021 0.000 0.779 433 A CB -2.281 16.729 19.000 0.017 0.000 1.022 433 A HN 2.212 nan 8.150 nan 0.000 0.532 434 A N -2.353 120.484 122.820 0.027 0.000 3.396 434 A HA -0.365 3.957 4.320 0.004 0.000 0.267 434 A C 1.417 179.021 177.584 0.033 0.000 1.139 434 A CA 2.029 54.083 52.037 0.028 0.000 1.115 434 A CB -2.538 16.476 19.000 0.023 0.000 1.133 434 A HN 2.213 nan 8.150 nan 0.000 0.920 435 N N -0.006 118.716 118.700 0.036 0.000 2.142 435 N HA -0.102 4.640 4.740 0.004 0.000 0.186 435 N C 0.962 176.502 175.510 0.049 0.000 1.023 435 N CA 1.913 54.988 53.050 0.041 0.000 0.852 435 N CB -0.155 38.359 38.487 0.046 0.000 0.998 435 N HN 0.762 nan 8.380 nan 0.000 0.424 436 Q N 0.446 120.276 119.800 0.050 0.000 2.901 436 Q HA 0.073 4.415 4.340 0.004 0.000 0.265 436 Q C -0.461 175.572 176.000 0.055 0.000 1.263 436 Q CA -0.314 55.526 55.803 0.062 0.000 1.088 436 Q CB 0.645 29.416 28.738 0.056 0.000 1.339 436 Q HN 0.498 nan 8.270 nan 0.000 0.546 437 D N -0.408 120.022 120.400 0.050 0.000 2.348 437 D HA -0.068 4.574 4.640 0.004 0.000 0.216 437 D C 0.626 176.951 176.300 0.042 0.000 0.970 437 D CA 0.383 54.407 54.000 0.041 0.000 0.889 437 D CB 0.146 40.966 40.800 0.033 0.000 0.912 437 D HN 0.205 nan 8.370 nan 0.000 0.524 438 V N -1.711 118.233 119.914 0.050 0.000 2.733 438 V HA 0.746 4.868 4.120 0.004 0.000 0.306 438 V C -0.429 175.703 176.094 0.065 0.000 1.084 438 V CA -1.199 61.130 62.300 0.048 0.000 0.905 438 V CB 1.835 33.680 31.823 0.037 0.000 1.010 438 V HN 0.095 nan 8.190 nan 0.000 0.424 439 V N 0.992 120.943 119.914 0.062 0.000 2.962 439 V HA 0.784 4.907 4.120 0.004 0.000 0.313 439 V C 1.050 177.182 176.094 0.064 0.000 1.099 439 V CA 0.268 62.612 62.300 0.074 0.000 0.971 439 V CB 1.484 33.350 31.823 0.071 0.000 1.028 439 V HN 1.322 nan 8.190 nan 0.000 0.430 440 S N 2.371 118.112 115.700 0.070 0.000 2.425 440 S HA 0.102 4.574 4.470 0.004 0.000 0.225 440 S C 1.136 175.768 174.600 0.053 0.000 1.024 440 S CA 1.082 59.315 58.200 0.054 0.000 0.951 440 S CB -0.868 62.366 63.200 0.057 0.000 0.796 440 S HN 1.403 nan 8.310 nan 0.000 0.498 441 L N 0.271 121.530 121.223 0.061 0.000 4.040 441 L HA -0.200 4.142 4.340 0.004 0.000 0.410 441 L C 1.524 178.428 176.870 0.056 0.000 1.187 441 L CA 0.021 54.898 54.840 0.061 0.000 0.956 441 L CB -2.346 39.758 42.059 0.075 0.000 2.022 441 L HN 0.519 nan 8.230 nan 0.000 0.897 442 G N -0.168 108.662 108.800 0.051 0.000 2.442 442 G HA2 -0.225 3.737 3.960 0.004 0.000 0.219 442 G HA3 -0.225 3.737 3.960 0.004 0.000 0.219 442 G C 1.294 176.220 174.900 0.044 0.000 1.141 442 G CA 1.442 46.569 45.100 0.045 0.000 0.763 442 G HN 0.488 nan 8.290 nan 0.000 0.554 443 T N 1.261 115.841 114.554 0.042 0.000 2.746 443 T HA -0.034 4.318 4.350 0.004 0.000 0.267 443 T C 2.373 177.097 174.700 0.040 0.000 1.039 443 T CA 1.003 63.125 62.100 0.037 0.000 1.142 443 T CB -0.134 68.752 68.868 0.030 0.000 0.866 443 T HN 0.277 nan 8.240 nan 0.000 0.444 444 I N 1.605 122.201 120.570 0.044 0.000 2.252 444 I HA -0.140 4.032 4.170 0.004 0.000 0.245 444 I C 3.038 179.187 176.117 0.054 0.000 1.102 444 I CA 1.048 62.376 61.300 0.046 0.000 1.385 444 I CB -0.553 37.477 38.000 0.051 0.000 1.064 444 I HN 0.218 nan 8.210 nan 0.000 0.414 445 A N 0.850 123.705 122.820 0.059 0.000 1.883 445 A HA -0.218 4.104 4.320 0.004 0.000 0.217 445 A C 2.536 180.159 177.584 0.065 0.000 1.186 445 A CA 2.107 54.182 52.037 0.063 0.000 0.624 445 A CB -0.929 18.107 19.000 0.061 0.000 0.822 445 A HN 0.438 nan 8.150 nan 0.000 0.444 446 A N -0.569 122.290 122.820 0.065 0.000 1.930 446 A HA -0.126 4.196 4.320 0.004 0.000 0.217 446 A C 2.243 179.867 177.584 0.067 0.000 1.175 446 A CA 1.458 53.540 52.037 0.075 0.000 0.627 446 A CB -0.425 18.619 19.000 0.072 0.000 0.815 446 A HN 0.552 nan 8.150 nan 0.000 0.443 447 R N -0.537 119.996 120.500 0.055 0.000 2.075 447 R HA 0.005 4.347 4.340 0.004 0.000 0.232 447 R C 1.981 178.311 176.300 0.051 0.000 1.126 447 R CA 1.347 57.476 56.100 0.049 0.000 0.963 447 R CB -0.453 29.870 30.300 0.038 0.000 0.858 447 R HN 0.506 nan 8.270 nan 0.000 0.435 448 L N -0.294 120.960 121.223 0.051 0.000 2.093 448 L HA -0.208 4.134 4.340 0.004 0.000 0.208 448 L C 2.756 179.658 176.870 0.053 0.000 1.085 448 L CA 0.736 55.606 54.840 0.050 0.000 0.755 448 L CB -0.518 41.572 42.059 0.051 0.000 0.904 448 L HN 0.367 nan 8.230 nan 0.000 0.435 449 C N 0.364 119.699 119.300 0.058 0.000 2.440 449 C HA -0.146 4.316 4.460 0.004 0.000 0.278 449 C C 3.099 178.131 174.990 0.070 0.000 1.295 449 C CA 0.843 59.895 59.018 0.058 0.000 1.738 449 C CB -0.553 27.223 27.740 0.059 0.000 1.987 449 C HN 0.492 nan 8.230 nan 0.000 0.492 450 R N 1.253 121.797 120.500 0.073 0.000 2.081 450 R HA -0.066 4.276 4.340 0.004 0.000 0.235 450 R C 2.099 178.447 176.300 0.081 0.000 1.131 450 R CA 1.922 58.071 56.100 0.082 0.000 0.960 450 R CB -0.785 29.561 30.300 0.076 0.000 0.856 450 R HN 0.530 nan 8.270 nan 0.000 0.436 451 E N 0.698 120.939 120.200 0.068 0.000 2.110 451 E HA -0.163 4.189 4.350 0.004 0.000 0.193 451 E C 1.801 178.447 176.600 0.076 0.000 0.988 451 E CA 1.281 57.719 56.400 0.064 0.000 0.804 451 E CB -0.080 29.649 29.700 0.050 0.000 0.745 451 E HN 0.434 nan 8.360 nan 0.000 0.458 452 K N 0.297 120.743 120.400 0.076 0.000 2.097 452 K HA -0.007 4.315 4.320 0.004 0.000 0.205 452 K C 2.308 179.001 176.600 0.154 0.000 1.050 452 K CA 0.696 57.034 56.287 0.084 0.000 0.938 452 K CB -0.090 32.438 32.500 0.046 0.000 0.718 452 K HN 0.083 nan 8.250 nan 0.000 0.442 453 I N 1.548 122.220 120.570 0.171 0.000 2.226 453 I HA -0.285 3.887 4.170 0.004 0.000 0.245 453 I C 1.605 177.842 176.117 0.200 0.000 1.100 453 I CA 1.193 62.648 61.300 0.257 0.000 1.374 453 I CB -0.234 37.885 38.000 0.198 0.000 1.057 453 I HN 0.147 nan 8.210 nan 0.000 0.413 454 D N 0.582 121.059 120.400 0.128 0.000 2.117 454 D HA -0.137 4.505 4.640 0.004 0.000 0.197 454 D C 2.325 178.679 176.300 0.090 0.000 0.987 454 D CA 0.954 55.005 54.000 0.085 0.000 0.829 454 D CB -0.239 40.601 40.800 0.066 0.000 0.961 454 D HN 0.192 nan 8.370 nan 0.000 0.460 455 R N -0.031 120.538 120.500 0.115 0.000 2.092 455 R HA -0.122 4.220 4.340 0.004 0.000 0.231 455 R C 2.145 178.554 176.300 0.181 0.000 1.119 455 R CA 0.484 56.652 56.100 0.114 0.000 0.970 455 R CB -1.046 29.313 30.300 0.099 0.000 0.864 455 R HN 0.349 nan 8.270 nan 0.000 0.440 456 W N 1.899 123.200 121.300 0.002 0.000 2.363 456 W HA -0.085 4.577 4.660 0.004 0.000 0.296 456 W C 2.085 178.596 176.519 -0.014 0.000 1.212 456 W CA 1.363 58.709 57.345 0.002 0.000 1.260 456 W CB -0.574 28.895 29.460 0.014 0.000 1.131 456 W HN 0.137 nan 8.180 nan 0.000 0.530 457 A N 0.082 122.891 122.820 -0.018 0.000 1.933 457 A HA -0.203 4.119 4.320 0.004 0.000 0.218 457 A C 1.857 179.352 177.584 -0.149 0.000 1.175 457 A CA 1.863 53.779 52.037 -0.202 0.000 0.628 457 A CB -0.692 18.213 19.000 -0.157 0.000 0.814 457 A HN 0.454 nan 8.150 nan 0.000 0.444 458 E N -0.354 119.817 120.200 -0.048 0.000 2.107 458 E HA -0.073 4.279 4.350 0.004 0.000 0.191 458 E C 1.794 178.378 176.600 -0.027 0.000 0.982 458 E CA 1.005 57.380 56.400 -0.041 0.000 0.809 458 E CB -0.213 29.487 29.700 0.000 0.000 0.756 458 E HN 0.695 nan 8.360 nan 0.000 0.459 459 I N 0.815 121.404 120.570 0.031 0.000 2.252 459 I HA -0.248 3.924 4.170 0.004 0.000 0.245 459 I C 2.190 178.315 176.117 0.014 0.000 1.102 459 I CA 0.900 62.236 61.300 0.060 0.000 1.385 459 I CB -0.113 37.978 38.000 0.153 0.000 1.064 459 I HN 0.113 nan 8.210 nan 0.000 0.414 460 L N 0.483 121.682 121.223 -0.039 0.000 2.093 460 L HA -0.174 4.168 4.340 0.004 0.000 0.208 460 L C 2.836 179.595 176.870 -0.185 0.000 1.085 460 L CA 1.183 55.956 54.840 -0.112 0.000 0.755 460 L CB -0.663 41.239 42.059 -0.262 0.000 0.904 460 L HN 0.229 nan 8.230 nan 0.000 0.435 461 A N 0.314 122.995 122.820 -0.232 0.000 1.902 461 A HA -0.180 4.142 4.320 0.004 0.000 0.217 461 A C 2.210 179.673 177.584 -0.202 0.000 1.181 461 A CA 1.498 53.366 52.037 -0.281 0.000 0.623 461 A CB -0.608 18.236 19.000 -0.260 0.000 0.818 461 A HN 0.354 nan 8.150 nan 0.000 0.443 462 I N -0.911 119.589 120.570 -0.118 0.000 2.252 462 I HA -0.211 3.961 4.170 0.004 0.000 0.245 462 I C 2.415 178.461 176.117 -0.117 0.000 1.102 462 I CA 1.119 62.374 61.300 -0.074 0.000 1.385 462 I CB -0.245 37.749 38.000 -0.010 0.000 1.064 462 I HN 0.396 nan 8.210 nan 0.000 0.414 463 L N 1.240 122.411 121.223 -0.087 0.000 2.046 463 L HA -0.139 4.203 4.340 0.004 0.000 0.208 463 L C 2.544 179.354 176.870 -0.100 0.000 1.077 463 L CA 2.119 56.913 54.840 -0.076 0.000 0.747 463 L CB -0.813 41.242 42.059 -0.007 0.000 0.896 463 L HN 0.179 nan 8.230 nan 0.000 0.432 464 A N -0.480 122.280 122.820 -0.101 0.000 1.902 464 A HA -0.167 4.156 4.320 0.004 0.000 0.217 464 A C 2.259 179.772 177.584 -0.118 0.000 1.181 464 A CA 2.022 54.014 52.037 -0.076 0.000 0.623 464 A CB -0.908 18.010 19.000 -0.137 0.000 0.818 464 A HN 0.508 nan 8.150 nan 0.000 0.443 465 L N -1.014 120.099 121.223 -0.183 0.000 2.141 465 L HA -0.209 4.133 4.340 0.004 0.000 0.209 465 L C 2.663 179.332 176.870 -0.334 0.000 1.094 465 L CA 0.957 55.705 54.840 -0.154 0.000 0.763 465 L CB -0.648 41.378 42.059 -0.055 0.000 0.908 465 L HN 0.485 nan 8.230 nan 0.000 0.437 466 C N -0.204 118.760 119.300 -0.559 0.000 2.446 466 C HA -0.115 4.347 4.460 0.004 0.000 0.277 466 C C 2.744 177.522 174.990 -0.352 0.000 1.275 466 C CA 0.424 58.954 59.018 -0.814 0.000 1.727 466 C CB -0.655 26.735 27.740 -0.582 0.000 2.010 466 C HN 0.428 nan 8.230 nan 0.000 0.486 467 L N 0.911 122.023 121.223 -0.184 0.000 2.093 467 L HA -0.127 4.215 4.340 0.004 0.000 0.208 467 L C 2.852 179.705 176.870 -0.028 0.000 1.085 467 L CA 1.473 56.271 54.840 -0.070 0.000 0.755 467 L CB -0.668 41.383 42.059 -0.013 0.000 0.904 467 L HN 0.330 nan 8.230 nan 0.000 0.435 468 A N -0.402 122.408 122.820 -0.016 0.000 1.933 468 A HA -0.289 4.033 4.320 0.004 0.000 0.218 468 A C 2.204 179.817 177.584 0.048 0.000 1.175 468 A CA 1.970 54.029 52.037 0.036 0.000 0.628 468 A CB -0.460 18.579 19.000 0.065 0.000 0.814 468 A HN 0.440 nan 8.150 nan 0.000 0.444 469 Q N -0.454 119.371 119.800 0.043 0.000 2.083 469 Q HA 0.067 4.409 4.340 0.004 0.000 0.198 469 Q C 2.059 178.092 176.000 0.054 0.000 0.969 469 Q CA 1.801 57.665 55.803 0.101 0.000 0.838 469 Q CB -0.467 28.416 28.738 0.243 0.000 0.900 469 Q HN 0.531 nan 8.270 nan 0.000 0.436 470 A N 0.546 123.369 122.820 0.004 0.000 1.902 470 A HA -0.082 4.240 4.320 0.004 0.000 0.217 470 A C 2.318 179.908 177.584 0.011 0.000 1.181 470 A CA 1.777 53.814 52.037 0.000 0.000 0.623 470 A CB -1.254 17.730 19.000 -0.025 0.000 0.818 470 A HN 0.543 nan 8.150 nan 0.000 0.443 471 A N -0.071 122.758 122.820 0.016 0.000 1.908 471 A HA -0.198 4.124 4.320 0.004 0.000 0.218 471 A C 1.907 179.505 177.584 0.024 0.000 1.181 471 A CA 1.742 53.792 52.037 0.022 0.000 0.627 471 A CB -0.531 18.487 19.000 0.030 0.000 0.818 471 A HN 0.667 nan 8.150 nan 0.000 0.445 472 E N -0.299 119.920 120.200 0.031 0.000 2.152 472 E HA -0.042 4.310 4.350 0.004 0.000 0.192 472 E C 1.876 178.490 176.600 0.022 0.000 0.983 472 E CA 0.798 57.216 56.400 0.031 0.000 0.818 472 E CB -0.225 29.501 29.700 0.043 0.000 0.758 472 E HN 0.612 nan 8.360 nan 0.000 0.467 473 L N 0.444 121.679 121.223 0.020 0.000 2.156 473 L HA -0.112 4.231 4.340 0.004 0.000 0.208 473 L C 2.603 179.474 176.870 0.002 0.000 1.095 473 L CA 0.826 55.670 54.840 0.007 0.000 0.770 473 L CB -0.095 41.965 42.059 0.002 0.000 0.914 473 L HN 0.013 nan 8.230 nan 0.000 0.439 474 R N -0.376 120.127 120.500 0.006 0.000 2.090 474 R HA -0.014 4.329 4.340 0.004 0.000 0.219 474 R C 1.715 178.019 176.300 0.006 0.000 1.100 474 R CA 1.391 57.494 56.100 0.004 0.000 0.991 474 R CB -0.275 30.027 30.300 0.004 0.000 0.893 474 R HN 0.317 nan 8.270 nan 0.000 0.443 475 C N 0.293 119.600 119.300 0.010 0.000 3.104 475 C HA 0.657 5.119 4.460 0.004 0.000 0.284 475 C C 0.591 175.588 174.990 0.013 0.000 1.326 475 C CA -0.371 58.654 59.018 0.011 0.000 1.725 475 C CB -0.698 27.050 27.740 0.013 0.000 2.156 475 C HN 0.728 nan 8.230 nan 0.000 0.638 476 G N 1.787 110.595 108.800 0.013 0.000 2.787 476 G HA2 -0.157 3.805 3.960 0.004 0.000 0.685 476 G HA3 -0.157 3.805 3.960 0.004 0.000 0.685 476 G C 0.729 175.640 174.900 0.019 0.000 1.437 476 G CA 0.086 45.194 45.100 0.014 0.000 0.872 476 G HN 0.814 nan 8.290 nan 0.000 0.566 477 S N -0.573 115.139 115.700 0.020 0.000 2.440 477 S HA 0.019 4.491 4.470 0.004 0.000 0.238 477 S C 2.391 177.004 174.600 0.023 0.000 1.010 477 S CA 1.924 60.138 58.200 0.024 0.000 0.972 477 S CB -0.227 62.986 63.200 0.023 0.000 0.774 477 S HN 2.178 nan 8.310 nan 0.000 0.501 478 G N 0.852 109.664 108.800 0.019 0.000 2.813 478 G HA2 0.345 4.307 3.960 0.004 0.000 0.209 478 G HA3 0.345 4.307 3.960 0.004 0.000 0.209 478 G C 0.556 175.467 174.900 0.018 0.000 1.150 478 G CA -0.036 45.074 45.100 0.017 0.000 0.785 478 G HN 0.622 nan 8.290 nan 0.000 0.535 479 L N 0.913 122.148 121.223 0.020 0.000 3.660 479 L HA -0.146 4.196 4.340 0.004 0.000 0.440 479 L C -0.888 175.992 176.870 0.016 0.000 1.262 479 L CA -0.115 54.737 54.840 0.020 0.000 0.837 479 L CB -1.797 40.277 42.059 0.024 0.000 1.689 479 L HN 0.204 nan 8.230 nan 0.000 0.890 480 D N 1.391 121.799 120.400 0.014 0.000 2.458 480 D HA 0.284 4.926 4.640 0.004 0.000 0.243 480 D C 1.386 177.692 176.300 0.010 0.000 1.146 480 D CA 1.390 55.397 54.000 0.011 0.000 0.877 480 D CB 1.275 42.080 40.800 0.009 0.000 1.176 480 D HN 0.533 nan 8.370 nan 0.000 0.461 481 G N 1.353 110.158 108.800 0.008 0.000 2.199 481 G HA2 -0.281 3.681 3.960 0.004 0.000 0.254 481 G HA3 -0.281 3.681 3.960 0.004 0.000 0.254 481 G C 0.457 175.362 174.900 0.009 0.000 0.982 481 G CA 0.159 45.263 45.100 0.006 0.000 0.632 481 G HN 0.517 nan 8.290 nan 0.000 0.529 482 V N 2.494 122.415 119.914 0.013 0.000 2.686 482 V HA 0.502 4.624 4.120 0.004 0.000 0.295 482 V C 1.456 177.561 176.094 0.017 0.000 1.055 482 V CA 0.145 62.456 62.300 0.018 0.000 1.050 482 V CB 1.419 33.255 31.823 0.022 0.000 0.984 482 V HN 1.024 nan 8.190 nan 0.000 0.482 483 S N 4.828 120.540 115.700 0.021 0.000 2.576 483 S HA 0.137 4.609 4.470 0.004 0.000 0.272 483 S C -1.747 172.862 174.600 0.016 0.000 1.352 483 S CA -0.677 57.534 58.200 0.019 0.000 1.021 483 S CB 0.500 63.716 63.200 0.027 0.000 0.887 483 S HN 0.580 nan 8.310 nan 0.000 0.542 484 P HA -0.058 nan 4.420 nan 0.000 0.215 484 P C 1.614 178.917 177.300 0.005 0.000 1.153 484 P CA 1.911 65.015 63.100 0.008 0.000 0.853 484 P CB -0.232 31.471 31.700 0.005 0.000 0.788 485 A N -0.264 122.557 122.820 0.001 0.000 1.898 485 A HA -0.064 4.258 4.320 0.004 0.000 0.216 485 A C 2.487 180.068 177.584 -0.004 0.000 1.181 485 A CA 2.041 54.071 52.037 -0.011 0.000 0.620 485 A CB -1.869 17.119 19.000 -0.019 0.000 0.819 485 A HN 0.271 nan 8.150 nan 0.000 0.442 486 G N -0.342 108.465 108.800 0.012 0.000 2.418 486 G HA2 -0.221 3.741 3.960 0.004 0.000 0.217 486 G HA3 -0.221 3.741 3.960 0.004 0.000 0.217 486 G C 1.687 176.605 174.900 0.029 0.000 1.158 486 G CA 1.113 46.228 45.100 0.024 0.000 0.771 486 G HN 0.565 nan 8.290 nan 0.000 0.545 487 K N 0.197 120.612 120.400 0.025 0.000 2.026 487 K HA -0.051 4.271 4.320 0.004 0.000 0.208 487 K C 2.442 179.060 176.600 0.031 0.000 1.048 487 K CA 1.315 57.619 56.287 0.028 0.000 0.929 487 K CB -0.140 32.373 32.500 0.022 0.000 0.713 487 K HN 0.251 nan 8.250 nan 0.000 0.439 488 K N 1.361 121.775 120.400 0.023 0.000 2.057 488 K HA -0.142 4.180 4.320 0.004 0.000 0.207 488 K C 2.146 178.769 176.600 0.039 0.000 1.049 488 K CA 1.017 57.318 56.287 0.024 0.000 0.931 488 K CB -0.085 32.419 32.500 0.008 0.000 0.714 488 K HN 0.109 nan 8.250 nan 0.000 0.440 489 L N 0.617 121.861 121.223 0.035 0.000 2.027 489 L HA -0.170 4.173 4.340 0.004 0.000 0.206 489 L C 2.071 179.010 176.870 0.115 0.000 1.074 489 L CA 1.112 55.992 54.840 0.066 0.000 0.745 489 L CB -0.149 41.932 42.059 0.036 0.000 0.898 489 L HN 0.020 nan 8.230 nan 0.000 0.433 490 V N 0.018 119.986 119.914 0.090 0.000 2.295 490 V HA -0.316 3.806 4.120 0.004 0.000 0.246 490 V C 2.482 178.632 176.094 0.094 0.000 1.049 490 V CA 2.098 64.455 62.300 0.095 0.000 1.024 490 V CB -0.753 31.113 31.823 0.071 0.000 0.648 490 V HN 0.553 nan 8.190 nan 0.000 0.447 491 Q N 0.057 119.900 119.800 0.072 0.000 2.096 491 Q HA -0.200 4.142 4.340 0.004 0.000 0.204 491 Q C 2.424 178.467 176.000 0.073 0.000 0.982 491 Q CA 1.824 57.664 55.803 0.062 0.000 0.850 491 Q CB -0.472 28.293 28.738 0.045 0.000 0.901 491 Q HN 0.679 nan 8.270 nan 0.000 0.422 492 A N 1.041 123.914 122.820 0.088 0.000 1.877 492 A HA -0.157 4.165 4.320 0.004 0.000 0.216 492 A C 2.103 179.765 177.584 0.129 0.000 1.186 492 A CA 1.115 53.212 52.037 0.100 0.000 0.620 492 A CB -0.690 18.387 19.000 0.128 0.000 0.822 492 A HN 0.279 nan 8.150 nan 0.000 0.443 493 L N -1.078 120.253 121.223 0.180 0.000 2.046 493 L HA -0.162 4.180 4.340 0.004 0.000 0.208 493 L C 2.668 179.685 176.870 0.246 0.000 1.077 493 L CA 1.018 56.013 54.840 0.257 0.000 0.747 493 L CB -0.459 41.733 42.059 0.220 0.000 0.896 493 L HN 0.255 nan 8.230 nan 0.000 0.432 494 R N 0.523 121.116 120.500 0.155 0.000 2.293 494 R HA -0.130 4.212 4.340 0.004 0.000 0.219 494 R C 1.829 178.158 176.300 0.048 0.000 1.091 494 R CA 0.779 56.947 56.100 0.112 0.000 1.004 494 R CB -0.450 29.901 30.300 0.085 0.000 0.865 494 R HN 0.572 nan 8.270 nan 0.000 0.469 495 E N 0.004 120.220 120.200 0.026 0.000 2.274 495 E HA -0.129 4.223 4.350 0.004 0.000 0.194 495 E C 1.248 177.783 176.600 -0.109 0.000 0.996 495 E CA 0.670 57.053 56.400 -0.028 0.000 0.840 495 E CB 0.231 29.917 29.700 -0.024 0.000 0.772 495 E HN 0.231 nan 8.360 nan 0.000 0.491 496 Q N -1.084 118.602 119.800 -0.188 0.000 2.210 496 Q HA 0.162 4.505 4.340 0.004 0.000 0.252 496 Q C -0.443 175.104 176.000 -0.755 0.000 0.811 496 Q CA 0.246 55.750 55.803 -0.499 0.000 0.953 496 Q CB 0.956 29.263 28.738 -0.718 0.000 1.136 496 Q HN 0.117 nan 8.270 nan 0.000 0.491 497 F N 2.032 121.978 119.950 -0.007 0.000 2.513 497 F HA 0.431 4.961 4.527 0.004 0.000 0.358 497 F C -2.196 173.620 175.800 0.027 0.000 1.118 497 F CA -2.536 55.470 58.000 0.010 0.000 1.037 497 F CB 1.460 40.470 39.000 0.017 0.000 1.276 497 F HN -0.216 nan 8.300 nan 0.000 0.446 498 P HA 0.115 nan 4.420 nan 0.000 0.269 498 P C -2.294 175.080 177.300 0.123 0.000 1.215 498 P CA -0.829 62.328 63.100 0.096 0.000 0.780 498 P CB 0.034 31.765 31.700 0.051 0.000 0.898 499 P HA 0.037 nan 4.420 nan 0.000 0.271 499 P C -0.683 176.670 177.300 0.087 0.000 1.233 499 P CA -0.071 63.095 63.100 0.110 0.000 0.789 499 P CB 0.484 32.234 31.700 0.083 0.000 0.951 500 L N 1.700 122.978 121.223 0.092 0.000 2.352 500 L HA 0.164 4.506 4.340 0.004 0.000 0.272 500 L C 1.226 178.104 176.870 0.013 0.000 1.109 500 L CA 0.392 55.236 54.840 0.006 0.000 0.952 500 L CB -0.628 41.355 42.059 -0.125 0.000 1.314 500 L HN 0.281 nan 8.230 nan 0.000 0.427 501 E N 0.919 121.128 120.200 0.016 0.000 2.371 501 E HA 0.043 4.395 4.350 0.004 0.000 0.194 501 E C 0.251 176.861 176.600 0.016 0.000 1.012 501 E CA 0.362 56.774 56.400 0.020 0.000 0.860 501 E CB 0.376 30.088 29.700 0.020 0.000 0.811 501 E HN 0.550 nan 8.360 nan 0.000 0.502 502 T N 0.332 114.885 114.554 -0.002 0.000 2.885 502 T HA 0.099 4.451 4.350 0.004 0.000 0.322 502 T C -1.829 172.848 174.700 -0.039 0.000 1.387 502 T CA -0.983 61.114 62.100 -0.005 0.000 1.041 502 T CB 1.409 70.276 68.868 -0.001 0.000 1.287 502 T HN -0.226 nan 8.240 nan 0.000 0.491 503 D N 3.032 123.405 120.400 -0.045 0.000 2.533 503 D HA 0.327 4.969 4.640 0.004 0.000 0.236 503 D C 0.617 176.876 176.300 -0.069 0.000 1.137 503 D CA 0.659 54.611 54.000 -0.079 0.000 0.867 503 D CB 0.372 41.130 40.800 -0.069 0.000 1.170 503 D HN 0.685 nan 8.370 nan 0.000 0.474 504 R N 0.601 121.048 120.500 -0.088 0.000 2.734 504 R HA 0.642 4.985 4.340 0.004 0.000 0.271 504 R C -3.116 173.148 176.300 -0.060 0.000 1.021 504 R CA -1.734 54.331 56.100 -0.059 0.000 0.893 504 R CB 0.259 30.534 30.300 -0.041 0.000 1.244 504 R HN -0.006 nan 8.270 nan 0.000 0.464 505 P HA 0.143 nan 4.420 nan 0.000 0.267 505 P C -0.318 176.976 177.300 -0.010 0.000 1.209 505 P CA -0.226 62.861 63.100 -0.023 0.000 0.763 505 P CB 0.591 32.284 31.700 -0.011 0.000 0.816 506 L N 1.687 122.906 121.223 -0.006 0.000 2.731 506 L HA 0.177 4.519 4.340 0.004 0.000 0.240 506 L C 2.276 179.165 176.870 0.032 0.000 1.120 506 L CA 0.331 55.183 54.840 0.020 0.000 0.913 506 L CB -0.253 41.819 42.059 0.022 0.000 1.213 506 L HN 0.530 nan 8.230 nan 0.000 0.515 507 G N 0.292 109.105 108.800 0.021 0.000 2.529 507 G HA2 -0.306 3.656 3.960 0.004 0.000 0.219 507 G HA3 -0.306 3.656 3.960 0.004 0.000 0.219 507 G C 1.387 176.305 174.900 0.029 0.000 1.177 507 G CA 0.753 45.865 45.100 0.021 0.000 0.773 507 G HN 0.382 nan 8.290 nan 0.000 0.573 508 Q N -0.091 119.731 119.800 0.037 0.000 2.124 508 Q HA -0.080 4.262 4.340 0.004 0.000 0.202 508 Q C 2.515 178.567 176.000 0.087 0.000 0.977 508 Q CA 1.309 57.142 55.803 0.049 0.000 0.850 508 Q CB -0.123 28.640 28.738 0.043 0.000 0.901 508 Q HN 0.625 nan 8.270 nan 0.000 0.429 509 E N 0.614 120.884 120.200 0.117 0.000 2.072 509 E HA -0.144 4.208 4.350 0.004 0.000 0.191 509 E C 1.965 178.590 176.600 0.042 0.000 0.985 509 E CA 0.746 57.276 56.400 0.215 0.000 0.801 509 E CB -0.025 29.826 29.700 0.250 0.000 0.750 509 E HN 0.338 nan 8.360 nan 0.000 0.452 510 I N 1.047 121.611 120.570 -0.009 0.000 2.226 510 I HA -0.279 3.893 4.170 0.004 0.000 0.245 510 I C 2.508 178.594 176.117 -0.051 0.000 1.100 510 I CA 0.982 62.242 61.300 -0.066 0.000 1.374 510 I CB -0.273 37.713 38.000 -0.024 0.000 1.057 510 I HN 0.097 nan 8.210 nan 0.000 0.413 511 A N 0.637 123.456 122.820 -0.002 0.000 1.898 511 A HA -0.110 4.212 4.320 0.004 0.000 0.216 511 A C 2.537 180.135 177.584 0.023 0.000 1.181 511 A CA 1.709 53.751 52.037 0.007 0.000 0.620 511 A CB -0.772 18.240 19.000 0.021 0.000 0.819 511 A HN 0.420 nan 8.150 nan 0.000 0.442 512 A N -0.588 122.275 122.820 0.072 0.000 1.898 512 A HA -0.007 4.315 4.320 0.004 0.000 0.216 512 A C 2.119 179.785 177.584 0.137 0.000 1.181 512 A CA 1.711 53.824 52.037 0.127 0.000 0.620 512 A CB -0.576 18.553 19.000 0.214 0.000 0.819 512 A HN 0.629 nan 8.150 nan 0.000 0.442 513 L N -0.269 120.986 121.223 0.054 0.000 2.056 513 L HA 0.016 4.358 4.340 0.004 0.000 0.207 513 L C 2.660 179.446 176.870 -0.140 0.000 1.078 513 L CA 2.003 56.782 54.840 -0.102 0.000 0.749 513 L CB -0.859 40.885 42.059 -0.525 0.000 0.901 513 L HN 0.341 nan 8.230 nan 0.000 0.433 514 A N -1.472 121.262 122.820 -0.144 0.000 1.908 514 A HA -0.239 4.083 4.320 0.004 0.000 0.218 514 A C 2.267 179.787 177.584 -0.105 0.000 1.181 514 A CA 2.402 54.344 52.037 -0.158 0.000 0.627 514 A CB -1.257 17.683 19.000 -0.100 0.000 0.818 514 A HN 0.504 nan 8.150 nan 0.000 0.445 515 T N -1.453 113.084 114.554 -0.028 0.000 2.788 515 T HA -0.169 4.184 4.350 0.004 0.000 0.268 515 T C 1.855 176.566 174.700 0.019 0.000 1.044 515 T CA 1.918 64.023 62.100 0.008 0.000 1.139 515 T CB -0.382 68.510 68.868 0.040 0.000 0.867 515 T HN 0.807 nan 8.240 nan 0.000 0.454 516 H N 1.083 120.110 119.070 -0.072 0.000 2.363 516 H HA 0.138 4.696 4.556 0.003 0.000 0.301 516 H C 1.989 177.240 175.328 -0.128 0.000 1.074 516 H CA 1.135 57.145 56.048 -0.063 0.000 1.354 516 H CB -0.493 29.257 29.762 -0.020 0.000 1.397 516 H HN 0.242 nan 8.280 nan 0.000 0.516 517 L N -0.046 120.969 121.223 -0.346 0.000 2.127 517 L HA -0.167 4.175 4.340 0.004 0.000 0.211 517 L C 2.287 178.988 176.870 -0.282 0.000 1.089 517 L CA 0.977 55.465 54.840 -0.586 0.000 0.757 517 L CB -0.486 41.048 42.059 -0.875 0.000 0.899 517 L HN 0.325 nan 8.230 nan 0.000 0.434 518 L N -0.697 120.411 121.223 -0.191 0.000 2.291 518 L HA -0.161 4.181 4.340 0.004 0.000 0.214 518 L C 2.198 179.047 176.870 -0.035 0.000 1.120 518 L CA 1.015 55.814 54.840 -0.068 0.000 0.799 518 L CB -0.181 41.870 42.059 -0.013 0.000 0.925 518 L HN 0.396 nan 8.230 nan 0.000 0.446 519 Q N -1.632 118.058 119.800 -0.183 0.000 2.280 519 Q HA 0.202 4.544 4.340 0.004 0.000 0.228 519 Q C 0.006 175.575 176.000 -0.717 0.000 0.857 519 Q CA 0.045 55.706 55.803 -0.236 0.000 0.939 519 Q CB 1.041 29.752 28.738 -0.046 0.000 1.114 519 Q HN 0.421 nan 8.270 nan 0.000 0.514 520 Q N 0.009 119.336 119.800 -0.789 0.000 2.379 520 Q HA 0.462 4.804 4.340 0.004 0.000 0.278 520 Q C -1.276 174.591 176.000 -0.222 0.000 1.068 520 Q CA -0.386 55.027 55.803 -0.649 0.000 0.816 520 Q CB 2.718 31.210 28.738 -0.409 0.000 1.387 520 Q HN -0.045 nan 8.270 nan 0.000 0.413 521 S N 1.427 117.077 115.700 -0.083 0.000 2.722 521 S HA 0.578 5.050 4.470 0.004 0.000 0.292 521 S C -2.457 171.922 174.600 -0.368 0.000 1.135 521 S CA -1.211 56.889 58.200 -0.166 0.000 1.003 521 S CB 0.858 64.020 63.200 -0.064 0.000 1.067 521 S HN 0.360 nan 8.310 nan 0.000 0.546 522 P HA 0.422 nan 4.420 nan 0.000 0.274 522 P C -1.207 175.901 177.300 -0.320 0.000 1.470 522 P CA -0.060 62.653 63.100 -0.646 0.000 1.001 522 P CB 0.329 31.414 31.700 -1.025 0.000 1.332 523 V N 0.000 119.815 119.914 -0.166 0.000 2.409 523 V HA 0.000 4.122 4.120 0.004 0.000 0.244 523 V CA 0.000 62.239 62.300 -0.102 0.000 1.235 523 V CB 0.000 31.780 31.823 -0.072 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556