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_F 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 0.000 176.610 176.600 0.017 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.514 32.500 0.024 0.000 1.064 9 P HA 0.135 nan 4.420 nan 0.000 0.266 9 P C -1.234 176.075 177.300 0.015 0.000 1.193 9 P CA -0.113 62.998 63.100 0.019 0.000 0.770 9 P CB 0.596 32.310 31.700 0.024 0.000 0.836 10 A N 2.336 125.163 122.820 0.012 0.000 2.350 10 A HA 0.567 4.887 4.320 0.000 0.000 0.324 10 A C -0.862 176.726 177.584 0.007 0.000 1.118 10 A CA -0.599 51.443 52.037 0.008 0.000 0.783 10 A CB 1.154 20.157 19.000 0.006 0.000 1.236 10 A HN 0.351 nan 8.150 nan 0.000 0.457 11 V N 2.409 122.325 119.914 0.002 0.000 2.347 11 V HA 0.286 4.406 4.120 0.000 0.000 0.280 11 V C 0.178 176.271 176.094 -0.002 0.000 1.021 11 V CA -0.373 61.927 62.300 0.000 0.000 0.847 11 V CB 1.241 33.059 31.823 -0.007 0.000 0.990 11 V HN 0.982 nan 8.190 nan 0.000 0.444 12 E N 4.342 124.543 120.200 0.002 0.000 2.167 12 E HA 0.374 4.724 4.350 0.000 0.000 0.284 12 E C -0.981 175.619 176.600 0.001 0.000 1.016 12 E CA -0.774 55.627 56.400 0.002 0.000 0.817 12 E CB 1.328 31.032 29.700 0.006 0.000 1.080 12 E HN 0.545 nan 8.360 nan 0.000 0.397 13 L N 5.633 126.853 121.223 -0.004 0.000 2.255 13 L HA 0.279 4.619 4.340 0.000 0.000 0.289 13 L C -0.258 176.613 176.870 0.001 0.000 1.046 13 L CA 0.400 55.236 54.840 -0.007 0.000 0.816 13 L CB 1.101 43.150 42.059 -0.017 0.000 1.197 13 L HN 0.721 nan 8.230 nan 0.000 0.427 14 D N 2.954 123.360 120.400 0.010 0.000 3.094 14 D HA 0.176 4.816 4.640 0.000 0.000 0.267 14 D C 1.364 177.676 176.300 0.020 0.000 1.542 14 D CA 0.925 54.934 54.000 0.016 0.000 1.157 14 D CB 0.705 41.518 40.800 0.021 0.000 1.098 14 D HN 0.581 nan 8.370 nan 0.000 0.340 15 R N -1.890 118.633 120.500 0.038 0.000 2.437 15 R HA 0.226 4.566 4.340 0.000 0.000 0.184 15 R C 0.131 176.478 176.300 0.078 0.000 0.850 15 R CA -0.205 55.925 56.100 0.049 0.000 1.073 15 R CB 0.620 30.952 30.300 0.054 0.000 1.336 15 R HN 0.184 nan 8.270 nan 0.000 0.640 16 H N 0.406 119.471 119.070 -0.009 0.000 2.495 16 H HA 0.560 5.116 4.556 0.000 0.000 0.348 16 H C -1.388 173.935 175.328 -0.008 0.000 1.113 16 H CA -0.691 55.351 56.048 -0.011 0.000 1.195 16 H CB 1.469 31.225 29.762 -0.010 0.000 1.521 16 H HN 0.025 nan 8.280 nan 0.000 0.509 17 I N 4.118 124.377 120.570 -0.517 0.000 2.647 17 I HA 0.291 4.461 4.170 0.000 0.000 0.295 17 I C -1.150 174.682 176.117 -0.475 0.000 1.078 17 I CA -0.887 60.228 61.300 -0.308 0.000 1.048 17 I CB 1.624 39.520 38.000 -0.174 0.000 1.239 17 I HN 0.857 nan 8.210 nan 0.000 0.421 18 D N 5.641 125.939 120.400 -0.170 0.000 2.437 18 D HA 0.253 4.893 4.640 0.000 0.000 0.259 18 D C 0.910 177.184 176.300 -0.044 0.000 1.118 18 D CA -0.614 53.344 54.000 -0.071 0.000 1.017 18 D CB 1.025 41.866 40.800 0.069 0.000 1.120 18 D HN 0.495 nan 8.370 nan 0.000 0.541 19 L N -0.397 120.825 121.223 -0.003 0.000 2.083 19 L HA -0.134 4.206 4.340 0.000 0.000 0.209 19 L C 1.427 178.336 176.870 0.066 0.000 1.083 19 L CA 1.337 56.192 54.840 0.026 0.000 0.752 19 L CB -0.452 41.632 42.059 0.042 0.000 0.899 19 L HN 0.452 nan 8.230 nan 0.000 0.433 20 D N -0.238 120.201 120.400 0.066 0.000 2.117 20 D HA -0.164 4.476 4.640 0.000 0.000 0.198 20 D C 2.321 178.669 176.300 0.079 0.000 0.982 20 D CA 1.040 55.097 54.000 0.095 0.000 0.828 20 D CB -0.095 40.751 40.800 0.076 0.000 0.967 20 D HN 0.403 nan 8.370 nan 0.000 0.464 21 Q N 0.428 120.253 119.800 0.042 0.000 2.084 21 Q HA -0.074 4.266 4.340 0.000 0.000 0.202 21 Q C 2.221 178.222 176.000 0.003 0.000 0.978 21 Q CA 1.369 57.184 55.803 0.020 0.000 0.844 21 Q CB -0.099 28.640 28.738 0.001 0.000 0.898 21 Q HN 0.198 nan 8.270 nan 0.000 0.426 22 A N 0.852 123.670 122.820 -0.004 0.000 1.877 22 A HA -0.239 4.081 4.320 0.000 0.000 0.216 22 A C 1.956 179.526 177.584 -0.022 0.000 1.186 22 A CA 1.609 53.631 52.037 -0.024 0.000 0.620 22 A CB -0.836 18.148 19.000 -0.028 0.000 0.822 22 A HN 0.446 nan 8.150 nan 0.000 0.443 23 H N -0.056 118.971 119.070 -0.073 0.000 2.423 23 H HA 0.038 4.594 4.556 0.000 0.000 0.297 23 H C 2.231 177.482 175.328 -0.127 0.000 1.075 23 H CA 1.348 57.317 56.048 -0.133 0.000 1.342 23 H CB -0.120 29.494 29.762 -0.245 0.000 1.395 23 H HN 0.414 nan 8.280 nan 0.000 0.530 24 A N 0.427 123.246 122.820 -0.002 0.000 1.902 24 A HA -0.111 4.209 4.320 0.000 0.000 0.217 24 A C 2.800 180.346 177.584 -0.064 0.000 1.181 24 A CA 1.663 53.697 52.037 -0.005 0.000 0.623 24 A CB -0.808 18.213 19.000 0.035 0.000 0.818 24 A HN 0.288 nan 8.150 nan 0.000 0.443 25 V N -0.393 119.473 119.914 -0.080 0.000 2.323 25 V HA -0.152 3.968 4.120 0.000 0.000 0.244 25 V C 3.045 179.044 176.094 -0.159 0.000 1.041 25 V CA 1.705 63.951 62.300 -0.090 0.000 1.025 25 V CB -1.212 30.564 31.823 -0.079 0.000 0.656 25 V HN 0.595 nan 8.190 nan 0.000 0.451 26 A N 0.878 123.562 122.820 -0.226 0.000 1.940 26 A HA -0.203 4.117 4.320 0.000 0.000 0.219 26 A C 2.377 179.741 177.584 -0.367 0.000 1.176 26 A CA 2.270 54.118 52.037 -0.315 0.000 0.631 26 A CB -0.659 18.158 19.000 -0.306 0.000 0.814 26 A HN 0.694 nan 8.150 nan 0.000 0.446 27 S N -2.078 113.428 115.700 -0.323 0.000 2.593 27 S HA 0.378 4.848 4.470 0.000 0.000 0.217 27 S C 1.408 176.128 174.600 0.201 0.000 0.966 27 S CA 1.025 59.182 58.200 -0.070 0.000 0.914 27 S CB -0.288 62.776 63.200 -0.227 0.000 0.776 27 S HN 1.932 nan 8.310 nan 0.000 0.523 28 G N 0.439 109.291 108.800 0.087 0.000 2.184 28 G HA2 -0.242 3.718 3.960 0.000 0.000 0.264 28 G HA3 -0.242 3.718 3.960 0.000 0.000 0.264 28 G C 0.919 175.884 174.900 0.107 0.000 0.975 28 G CA 0.180 45.388 45.100 0.180 0.000 0.642 28 G HN 0.948 nan 8.290 nan 0.000 0.536 29 G N -0.124 108.715 108.800 0.065 0.000 2.421 29 G HA2 0.490 4.450 3.960 0.000 0.000 0.217 29 G HA3 0.490 4.450 3.960 0.000 0.000 0.217 29 G C 0.752 175.677 174.900 0.041 0.000 1.143 29 G CA 1.860 46.995 45.100 0.057 0.000 0.784 29 G HN 1.821 nan 8.290 nan 0.000 0.541 30 A N -0.336 122.499 122.820 0.024 0.000 2.454 30 A HA 0.754 5.074 4.320 0.000 0.000 0.302 30 A C 0.082 177.671 177.584 0.007 0.000 1.079 30 A CA -0.886 51.161 52.037 0.017 0.000 0.731 30 A CB 1.287 20.295 19.000 0.013 0.000 1.299 30 A HN 0.426 nan 8.150 nan 0.000 0.413 31 R N 0.904 121.408 120.500 0.007 0.000 2.553 31 R HA 0.823 5.163 4.340 0.000 0.000 0.263 31 R C -0.805 175.490 176.300 -0.007 0.000 1.066 31 R CA -0.529 55.571 56.100 0.001 0.000 1.135 31 R CB 0.945 31.248 30.300 0.005 0.000 1.148 31 R HN 0.635 nan 8.270 nan 0.000 0.558 32 I N 1.008 121.570 120.570 -0.013 0.000 2.689 32 I HA 0.448 4.618 4.170 0.000 0.000 0.299 32 I C -1.191 174.919 176.117 -0.012 0.000 1.059 32 I CA -1.227 60.063 61.300 -0.016 0.000 1.055 32 I CB 2.306 40.289 38.000 -0.027 0.000 1.243 32 I HN 0.634 nan 8.210 nan 0.000 0.425 33 V N 4.896 124.804 119.914 -0.009 0.000 2.760 33 V HA 0.546 4.666 4.120 0.000 0.000 0.309 33 V C -1.200 174.890 176.094 -0.007 0.000 1.077 33 V CA -0.876 61.420 62.300 -0.007 0.000 0.910 33 V CB 1.652 33.473 31.823 -0.003 0.000 1.008 33 V HN 0.669 nan 8.190 nan 0.000 0.424 34 L N 4.936 126.155 121.223 -0.006 0.000 2.278 34 L HA 0.800 5.140 4.340 0.000 0.000 0.287 34 L C 0.865 177.734 176.870 -0.002 0.000 1.072 34 L CA 0.473 55.310 54.840 -0.005 0.000 0.819 34 L CB 0.549 42.604 42.059 -0.006 0.000 1.176 34 L HN 1.143 nan 8.230 nan 0.000 0.435 35 A N 6.886 129.706 122.820 0.000 0.000 2.425 35 A HA 0.370 4.690 4.320 0.000 0.000 0.242 35 A C -1.582 176.004 177.584 0.003 0.000 1.077 35 A CA -0.783 51.255 52.037 0.003 0.000 0.781 35 A CB -0.312 18.692 19.000 0.006 0.000 1.020 35 A HN 0.783 nan 8.150 nan 0.000 0.494 36 P HA -0.142 nan 4.420 nan 0.000 0.216 36 P C -1.454 175.848 177.300 0.004 0.000 1.153 36 P CA 1.815 64.917 63.100 0.002 0.000 0.858 36 P CB -0.737 30.964 31.700 0.002 0.000 0.789 37 P HA -0.141 nan 4.420 nan 0.000 0.216 37 P C 1.370 178.674 177.300 0.007 0.000 1.150 37 P CA 1.915 65.019 63.100 0.007 0.000 0.837 37 P CB -0.566 31.139 31.700 0.008 0.000 0.786 38 A N -0.289 122.535 122.820 0.007 0.000 1.872 38 A HA -0.165 4.155 4.320 0.000 0.000 0.214 38 A C 2.400 179.987 177.584 0.005 0.000 1.187 38 A CA 1.361 53.402 52.037 0.007 0.000 0.614 38 A CB -1.129 17.874 19.000 0.005 0.000 0.826 38 A HN -0.003 nan 8.150 nan 0.000 0.442 39 R N -0.205 120.297 120.500 0.003 0.000 2.083 39 R HA -0.192 4.148 4.340 0.000 0.000 0.237 39 R C 1.392 177.693 176.300 0.002 0.000 1.137 39 R CA 2.053 58.153 56.100 0.001 0.000 0.951 39 R CB -0.358 29.941 30.300 -0.001 0.000 0.851 39 R HN 0.453 nan 8.270 nan 0.000 0.434 40 D N -0.012 120.390 120.400 0.003 0.000 2.117 40 D HA -0.179 4.461 4.640 0.000 0.000 0.198 40 D C 2.003 178.306 176.300 0.005 0.000 0.982 40 D CA 1.579 55.581 54.000 0.003 0.000 0.828 40 D CB -0.232 40.571 40.800 0.003 0.000 0.967 40 D HN 0.480 nan 8.370 nan 0.000 0.464 41 R N 0.355 120.860 120.500 0.008 0.000 2.115 41 R HA -0.005 4.335 4.340 0.000 0.000 0.230 41 R C 2.068 178.376 176.300 0.013 0.000 1.111 41 R CA 1.135 57.242 56.100 0.012 0.000 0.976 41 R CB -0.845 29.464 30.300 0.015 0.000 0.870 41 R HN 0.099 nan 8.270 nan 0.000 0.445 42 C N 0.811 120.118 119.300 0.011 0.000 2.457 42 C HA 0.143 4.603 4.460 0.000 0.000 0.278 42 C C 2.654 177.647 174.990 0.004 0.000 1.309 42 C CA 0.437 59.462 59.018 0.011 0.000 1.735 42 C CB -0.814 26.932 27.740 0.009 0.000 1.992 42 C HN 0.530 nan 8.230 nan 0.000 0.493 43 R N 1.149 121.650 120.500 0.001 0.000 2.081 43 R HA -0.118 4.222 4.340 0.000 0.000 0.235 43 R C 2.389 178.686 176.300 -0.005 0.000 1.131 43 R CA 1.640 57.738 56.100 -0.004 0.000 0.960 43 R CB -0.461 29.837 30.300 -0.003 0.000 0.856 43 R HN 0.551 nan 8.270 nan 0.000 0.436 44 A N 0.116 122.935 122.820 -0.001 0.000 1.902 44 A HA -0.194 4.127 4.320 0.000 0.000 0.217 44 A C 2.178 179.756 177.584 -0.009 0.000 1.181 44 A CA 1.901 53.937 52.037 -0.002 0.000 0.623 44 A CB -0.615 18.388 19.000 0.005 0.000 0.818 44 A HN 0.311 nan 8.150 nan 0.000 0.443 45 S N -0.907 114.792 115.700 -0.002 0.000 2.368 45 S HA -0.190 4.281 4.470 0.000 0.000 0.224 45 S C 2.020 176.582 174.600 -0.064 0.000 1.029 45 S CA 1.545 59.738 58.200 -0.012 0.000 0.988 45 S CB -0.333 62.885 63.200 0.030 0.000 0.838 45 S HN 0.670 nan 8.310 nan 0.000 0.462 46 E N 0.394 120.573 120.200 -0.036 0.000 2.085 46 E HA -0.159 4.191 4.350 0.000 0.000 0.194 46 E C 2.085 178.664 176.600 -0.035 0.000 0.994 46 E CA 1.139 57.521 56.400 -0.031 0.000 0.801 46 E CB -0.362 29.331 29.700 -0.012 0.000 0.743 46 E HN 0.602 nan 8.360 nan 0.000 0.453 47 A N 1.051 123.852 122.820 -0.032 0.000 1.972 47 A HA -0.166 4.154 4.320 0.000 0.000 0.219 47 A C 2.120 179.667 177.584 -0.062 0.000 1.169 47 A CA 1.299 53.319 52.037 -0.029 0.000 0.635 47 A CB -0.377 18.612 19.000 -0.018 0.000 0.810 47 A HN 0.173 nan 8.150 nan 0.000 0.446 48 R N -1.273 119.172 120.500 -0.091 0.000 2.075 48 R HA -0.061 4.279 4.340 0.000 0.000 0.232 48 R C 2.124 178.277 176.300 -0.246 0.000 1.126 48 R CA 1.285 57.310 56.100 -0.126 0.000 0.963 48 R CB -0.564 29.677 30.300 -0.099 0.000 0.858 48 R HN 0.487 nan 8.270 nan 0.000 0.435 49 L N 0.720 121.715 121.223 -0.379 0.000 2.012 49 L HA -0.075 4.265 4.340 0.000 0.000 0.210 49 L C 2.146 178.821 176.870 -0.324 0.000 1.073 49 L CA 2.255 56.778 54.840 -0.528 0.000 0.748 49 L CB -1.143 40.655 42.059 -0.436 0.000 0.891 49 L HN 0.199 nan 8.230 nan 0.000 0.431 50 G N -1.074 107.611 108.800 -0.191 0.000 2.469 50 G HA2 -0.315 3.645 3.960 0.000 0.000 0.219 50 G HA3 -0.315 3.645 3.960 0.000 0.000 0.219 50 G C 1.585 176.392 174.900 -0.155 0.000 1.150 50 G CA 1.056 46.053 45.100 -0.172 0.000 0.763 50 G HN 0.690 nan 8.290 nan 0.000 0.561 51 A N -0.097 122.656 122.820 -0.113 0.000 1.930 51 A HA 0.144 4.464 4.320 0.000 0.000 0.217 51 A C 2.608 180.147 177.584 -0.075 0.000 1.175 51 A CA 1.679 53.672 52.037 -0.074 0.000 0.627 51 A CB -0.563 18.407 19.000 -0.049 0.000 0.815 51 A HN 0.257 nan 8.150 nan 0.000 0.443 52 V N 0.377 120.230 119.914 -0.101 0.000 2.287 52 V HA -0.292 3.828 4.120 0.000 0.000 0.248 52 V C 2.429 178.492 176.094 -0.053 0.000 1.053 52 V CA 2.165 64.435 62.300 -0.050 0.000 1.027 52 V CB -0.638 31.156 31.823 -0.049 0.000 0.646 52 V HN 0.579 nan 8.190 nan 0.000 0.447 53 I N -0.495 119.995 120.570 -0.132 0.000 2.202 53 I HA -0.237 3.933 4.170 0.000 0.000 0.242 53 I C 2.735 178.797 176.117 -0.091 0.000 1.091 53 I CA 1.706 62.924 61.300 -0.137 0.000 1.368 53 I CB -0.495 37.328 38.000 -0.296 0.000 1.058 53 I HN 0.219 nan 8.210 nan 0.000 0.410 54 R N 1.421 121.863 120.500 -0.096 0.000 2.117 54 R HA -0.206 4.134 4.340 0.000 0.000 0.243 54 R C 1.668 177.950 176.300 -0.030 0.000 1.143 54 R CA 1.758 57.825 56.100 -0.055 0.000 0.968 54 R CB -0.077 30.194 30.300 -0.049 0.000 0.863 54 R HN 0.452 nan 8.270 nan 0.000 0.444 55 E N -0.579 119.607 120.200 -0.023 0.000 2.489 55 E HA 0.108 4.458 4.350 0.000 0.000 0.193 55 E C 0.284 176.888 176.600 0.006 0.000 1.057 55 E CA 0.381 56.779 56.400 -0.004 0.000 0.866 55 E CB 0.499 30.202 29.700 0.005 0.000 0.916 55 E HN 0.447 nan 8.360 nan 0.000 0.500 56 A N 2.164 124.985 122.820 0.002 0.000 2.791 56 A HA -0.225 4.095 4.320 0.000 0.000 0.292 56 A C 0.046 177.656 177.584 0.043 0.000 1.487 56 A CA 0.517 52.562 52.037 0.013 0.000 0.760 56 A CB -1.334 17.668 19.000 0.003 0.000 1.031 56 A HN 0.137 nan 8.150 nan 0.000 0.503 57 R N 0.194 120.732 120.500 0.064 0.000 2.643 57 R HA 0.122 4.462 4.340 0.000 0.000 0.270 57 R C 0.543 176.944 176.300 0.169 0.000 1.061 57 R CA -0.117 56.048 56.100 0.109 0.000 1.107 57 R CB 0.153 30.525 30.300 0.119 0.000 0.999 57 R HN 0.719 nan 8.270 nan 0.000 0.460 58 H N 1.928 121.031 119.070 0.056 0.000 3.089 58 H HA 0.231 4.787 4.556 0.000 0.000 0.262 58 H C -0.951 174.439 175.328 0.104 0.000 1.160 58 H CA -0.396 55.679 56.048 0.045 0.000 1.482 58 H CB 0.228 29.993 29.762 0.006 0.000 1.511 58 H HN 0.043 nan 8.280 nan 0.000 0.483 59 V N 6.472 126.540 119.914 0.257 0.000 2.638 59 V HA 0.000 4.120 4.120 0.000 0.000 0.306 59 V C -0.683 175.608 176.094 0.329 0.000 1.052 59 V CA -0.999 61.487 62.300 0.310 0.000 0.885 59 V CB 1.282 33.290 31.823 0.308 0.000 0.999 59 V HN 0.653 nan 8.190 nan 0.000 0.424 60 Y N 3.821 124.343 120.300 0.371 0.000 2.810 60 Y HA 0.338 4.888 4.550 0.000 0.000 0.332 60 Y C 1.394 177.383 175.900 0.148 0.000 1.243 60 Y CA 1.846 60.070 58.100 0.206 0.000 1.537 60 Y CB 0.507 39.143 38.460 0.293 0.000 1.265 60 Y HN 1.058 nan 8.280 nan 0.000 0.572 61 G N 4.028 112.503 108.800 -0.543 0.000 2.234 61 G HA2 -0.307 3.653 3.960 0.000 0.000 0.260 61 G HA3 -0.307 3.653 3.960 0.000 0.000 0.260 61 G C 0.670 175.509 174.900 -0.102 0.000 0.987 61 G CA 0.609 45.487 45.100 -0.370 0.000 0.625 61 G HN 0.672 nan 8.290 nan 0.000 0.532 62 L N 0.041 121.252 121.223 -0.020 0.000 2.537 62 L HA 0.297 4.637 4.340 0.000 0.000 0.224 62 L C 2.135 179.003 176.870 -0.004 0.000 1.065 62 L CA 1.554 56.411 54.840 0.028 0.000 0.860 62 L CB 0.535 42.650 42.059 0.093 0.000 1.086 62 L HN 0.476 nan 8.230 nan 0.000 0.482 63 T N -4.297 110.255 114.554 -0.004 0.000 3.403 63 T HA 0.166 4.516 4.350 0.000 0.000 0.308 63 T C 0.250 174.927 174.700 -0.039 0.000 0.952 63 T CA 0.128 62.224 62.100 -0.007 0.000 0.970 63 T CB 0.062 68.960 68.868 0.050 0.000 1.189 63 T HN 0.154 nan 8.240 nan 0.000 0.528 64 T N -1.668 112.810 114.554 -0.127 0.000 2.864 64 T HA 0.776 5.126 4.350 0.000 0.000 0.299 64 T C 0.553 174.988 174.700 -0.441 0.000 1.166 64 T CA -0.244 61.755 62.100 -0.168 0.000 1.007 64 T CB 1.470 70.333 68.868 -0.008 0.000 1.219 64 T HN 0.321 nan 8.240 nan 0.000 0.506 65 G N 0.034 108.623 108.800 -0.352 0.000 2.553 65 G HA2 0.553 4.514 3.960 0.000 0.000 0.278 65 G HA3 0.553 4.514 3.960 0.000 0.000 0.278 65 G C -1.007 173.510 174.900 -0.639 0.000 1.349 65 G CA -0.781 44.031 45.100 -0.479 0.000 1.037 65 G HN 0.558 nan 8.290 nan 0.000 0.508 66 F N -0.694 119.248 119.950 -0.014 0.000 2.470 66 F HA 0.592 5.120 4.527 0.000 0.000 0.329 66 F C 1.228 177.165 175.800 0.229 0.000 1.072 66 F CA 0.417 58.484 58.000 0.110 0.000 0.989 66 F CB 1.312 40.427 39.000 0.191 0.000 1.193 66 F HN 1.011 nan 8.300 nan 0.000 0.481 67 G N 1.981 111.129 108.800 0.580 0.000 2.611 67 G HA2 -0.293 3.667 3.960 0.000 0.000 0.301 67 G HA3 -0.293 3.667 3.960 0.000 0.000 0.301 67 G C -1.883 173.137 174.900 0.200 0.000 1.233 67 G CA -0.051 45.227 45.100 0.295 0.000 0.993 67 G HN 0.520 nan 8.290 nan 0.000 0.553 68 P HA 0.164 nan 4.420 nan 0.000 0.234 68 P C 1.589 178.929 177.300 0.066 0.000 1.167 68 P CA 0.679 63.826 63.100 0.077 0.000 0.763 68 P CB -0.070 31.660 31.700 0.049 0.000 0.835 69 L N -1.667 119.601 121.223 0.075 0.000 2.611 69 L HA 0.220 4.560 4.340 0.000 0.000 0.229 69 L C 1.981 178.866 176.870 0.025 0.000 1.137 69 L CA 0.043 54.902 54.840 0.031 0.000 0.901 69 L CB -0.554 41.505 42.059 -0.000 0.000 1.098 69 L HN -0.050 nan 8.230 nan 0.000 0.456 70 A N 1.301 124.177 122.820 0.093 0.000 2.172 70 A HA -0.165 4.155 4.320 0.000 0.000 0.216 70 A C 1.967 179.598 177.584 0.077 0.000 1.154 70 A CA 1.340 53.443 52.037 0.111 0.000 0.701 70 A CB -0.493 18.684 19.000 0.295 0.000 0.789 70 A HN 0.642 nan 8.150 nan 0.000 0.465 71 N N -0.528 118.202 118.700 0.050 0.000 2.515 71 N HA -0.046 4.694 4.740 0.000 0.000 0.185 71 N C 0.014 175.517 175.510 -0.011 0.000 1.109 71 N CA 0.272 53.338 53.050 0.028 0.000 0.903 71 N CB -0.196 38.304 38.487 0.021 0.000 0.969 71 N HN 0.166 nan 8.380 nan 0.000 0.450 72 R N 1.071 121.557 120.500 -0.023 0.000 2.205 72 R HA 0.391 4.731 4.340 0.000 0.000 0.342 72 R C -0.129 176.128 176.300 -0.070 0.000 1.058 72 R CA -0.299 55.773 56.100 -0.048 0.000 0.904 72 R CB 0.635 30.905 30.300 -0.051 0.000 1.089 72 R HN 0.152 nan 8.270 nan 0.000 0.471 73 L N 3.720 124.895 121.223 -0.079 0.000 2.436 73 L HA 0.375 4.715 4.340 0.000 0.000 0.265 73 L C 0.169 176.988 176.870 -0.084 0.000 1.168 73 L CA -0.378 54.404 54.840 -0.097 0.000 0.815 73 L CB 0.547 42.527 42.059 -0.132 0.000 1.109 73 L HN 0.349 nan 8.230 nan 0.000 0.462 74 I N 1.085 121.605 120.570 -0.083 0.000 2.509 74 I HA 0.214 4.384 4.170 0.000 0.000 0.293 74 I C 0.222 176.309 176.117 -0.050 0.000 1.020 74 I CA -0.256 61.002 61.300 -0.070 0.000 1.088 74 I CB 1.696 39.642 38.000 -0.091 0.000 1.267 74 I HN 0.514 nan 8.210 nan 0.000 0.430 75 S N 3.097 118.774 115.700 -0.038 0.000 2.580 75 S HA 0.336 4.806 4.470 0.000 0.000 0.274 75 S C 1.492 176.081 174.600 -0.019 0.000 1.329 75 S CA 0.218 58.402 58.200 -0.027 0.000 1.036 75 S CB 1.225 64.412 63.200 -0.022 0.000 0.919 75 S HN 0.889 nan 8.310 nan 0.000 0.515 76 G N 3.015 111.806 108.800 -0.015 0.000 2.503 76 G HA2 -0.266 3.694 3.960 0.000 0.000 0.221 76 G HA3 -0.266 3.694 3.960 0.000 0.000 0.221 76 G C 1.271 176.170 174.900 -0.001 0.000 1.131 76 G CA 1.167 46.261 45.100 -0.009 0.000 0.756 76 G HN 0.902 nan 8.290 nan 0.000 0.572 77 E N 0.807 121.007 120.200 -0.000 0.000 2.409 77 E HA -0.069 4.281 4.350 0.000 0.000 0.198 77 E C 1.066 177.671 176.600 0.008 0.000 1.024 77 E CA 0.678 57.081 56.400 0.005 0.000 0.861 77 E CB -0.331 29.371 29.700 0.003 0.000 0.788 77 E HN 0.398 nan 8.360 nan 0.000 0.521 78 N N 0.672 119.374 118.700 0.004 0.000 2.205 78 N HA 0.055 4.795 4.740 0.000 0.000 0.201 78 N C 1.565 177.082 175.510 0.013 0.000 1.128 78 N CA 0.171 53.225 53.050 0.007 0.000 0.867 78 N CB 0.866 39.353 38.487 -0.001 0.000 0.996 78 N HN 0.018 nan 8.380 nan 0.000 0.503 79 V N 1.300 121.222 119.914 0.014 0.000 2.343 79 V HA -0.207 3.913 4.120 0.000 0.000 0.247 79 V C 2.416 178.535 176.094 0.043 0.000 1.051 79 V CA 1.413 63.728 62.300 0.025 0.000 1.036 79 V CB -0.237 31.603 31.823 0.028 0.000 0.654 79 V HN 0.211 nan 8.190 nan 0.000 0.451 80 R N 0.337 120.861 120.500 0.039 0.000 2.083 80 R HA -0.134 4.206 4.340 0.000 0.000 0.237 80 R C 2.387 178.704 176.300 0.027 0.000 1.137 80 R CA 2.051 58.171 56.100 0.033 0.000 0.951 80 R CB -1.561 28.754 30.300 0.025 0.000 0.851 80 R HN 0.535 nan 8.270 nan 0.000 0.434 81 T N 2.403 116.976 114.554 0.031 0.000 2.708 81 T HA -0.132 4.218 4.350 0.000 0.000 0.266 81 T C 1.906 176.643 174.700 0.061 0.000 1.037 81 T CA 1.168 63.290 62.100 0.038 0.000 1.146 81 T CB -0.352 68.539 68.868 0.039 0.000 0.865 81 T HN 0.081 nan 8.240 nan 0.000 0.435 82 L N 1.357 122.625 121.223 0.074 0.000 1.971 82 L HA -0.191 4.149 4.340 0.000 0.000 0.215 82 L C 2.465 179.461 176.870 0.211 0.000 1.072 82 L CA 1.888 56.810 54.840 0.137 0.000 0.758 82 L CB -0.694 41.409 42.059 0.073 0.000 0.889 82 L HN 0.273 nan 8.230 nan 0.000 0.433 83 Q N -1.017 118.867 119.800 0.141 0.000 2.224 83 Q HA -0.106 4.235 4.340 0.000 0.000 0.203 83 Q C 2.186 178.160 176.000 -0.043 0.000 0.970 83 Q CA 1.208 57.064 55.803 0.087 0.000 0.865 83 Q CB -0.286 28.493 28.738 0.068 0.000 0.922 83 Q HN 0.717 nan 8.270 nan 0.000 0.445 84 A N 1.589 124.372 122.820 -0.061 0.000 1.930 84 A HA -0.168 4.152 4.320 0.000 0.000 0.217 84 A C 1.759 179.160 177.584 -0.306 0.000 1.175 84 A CA 1.255 53.170 52.037 -0.203 0.000 0.627 84 A CB -0.285 18.632 19.000 -0.138 0.000 0.815 84 A HN 0.259 nan 8.150 nan 0.000 0.443 85 N N -0.103 118.565 118.700 -0.054 0.000 2.188 85 N HA -0.114 4.626 4.740 0.000 0.000 0.184 85 N C 1.598 177.179 175.510 0.119 0.000 1.018 85 N CA 1.309 54.421 53.050 0.103 0.000 0.858 85 N CB -0.562 38.059 38.487 0.225 0.000 0.989 85 N HN 0.433 nan 8.380 nan 0.000 0.426 86 L N 1.145 122.370 121.223 0.003 0.000 1.990 86 L HA -0.135 4.205 4.340 0.000 0.000 0.213 86 L C 1.984 178.455 176.870 -0.666 0.000 1.072 86 L CA 1.515 56.107 54.840 -0.414 0.000 0.755 86 L CB -0.781 40.958 42.059 -0.534 0.000 0.889 86 L HN -0.093 nan 8.230 nan 0.000 0.432 87 V N -0.392 119.267 119.914 -0.426 0.000 2.392 87 V HA -0.351 3.769 4.120 0.000 0.000 0.249 87 V C 2.386 178.317 176.094 -0.273 0.000 1.059 87 V CA 2.263 64.338 62.300 -0.374 0.000 1.051 87 V CB -0.997 30.643 31.823 -0.306 0.000 0.658 87 V HN 0.637 nan 8.190 nan 0.000 0.455 88 H N -0.465 118.488 119.070 -0.196 0.000 2.299 88 H HA -0.160 4.396 4.556 0.000 0.000 0.302 88 H C 2.218 177.495 175.328 -0.085 0.000 1.078 88 H CA 1.859 57.840 56.048 -0.112 0.000 1.323 88 H CB -0.242 29.513 29.762 -0.011 0.000 1.381 88 H HN 0.602 nan 8.280 nan 0.000 0.498 89 F N 0.690 120.671 119.950 0.051 0.000 2.365 89 F HA -0.028 4.499 4.527 0.000 0.000 0.300 89 F C 1.586 177.359 175.800 -0.044 0.000 1.090 89 F CA 0.789 58.789 58.000 0.001 0.000 1.408 89 F CB -0.685 38.320 39.000 0.009 0.000 1.060 89 F HN 0.010 nan 8.300 nan 0.000 0.534 90 L N 0.629 121.508 121.223 -0.573 0.000 2.418 90 L HA 0.216 4.556 4.340 0.000 0.000 0.218 90 L C 1.831 178.552 176.870 -0.249 0.000 1.125 90 L CA 0.414 54.991 54.840 -0.439 0.000 0.835 90 L CB -0.661 41.025 42.059 -0.622 0.000 0.953 90 L HN 0.275 nan 8.230 nan 0.000 0.454 91 A N 0.153 122.799 122.820 -0.290 0.000 3.077 91 A HA 0.166 4.486 4.320 0.000 0.000 0.255 91 A C 1.180 178.721 177.584 -0.072 0.000 1.728 91 A CA 0.187 51.934 52.037 -0.483 0.000 1.383 91 A CB -0.626 18.007 19.000 -0.611 0.000 1.097 91 A HN 0.350 nan 8.150 nan 0.000 0.634 92 S N -0.438 115.315 115.700 0.089 0.000 2.601 92 S HA 0.384 4.855 4.470 0.000 0.000 0.244 92 S C 0.849 175.550 174.600 0.169 0.000 1.001 92 S CA 0.062 58.341 58.200 0.131 0.000 0.984 92 S CB 0.092 63.345 63.200 0.089 0.000 0.842 92 S HN 0.748 nan 8.310 nan 0.000 0.474 93 G N 1.434 110.433 108.800 0.332 0.000 2.527 93 G HA2 0.526 4.486 3.960 0.000 0.000 0.248 93 G HA3 0.526 4.486 3.960 0.000 0.000 0.248 93 G C -0.184 174.694 174.900 -0.036 0.000 1.231 93 G CA 0.014 45.166 45.100 0.087 0.000 0.838 93 G HN 1.015 nan 8.290 nan 0.000 0.570 94 V N -1.303 118.579 119.914 -0.054 0.000 3.182 94 V HA 1.030 5.150 4.120 0.000 0.000 0.308 94 V C 0.554 176.614 176.094 -0.058 0.000 1.240 94 V CA -0.115 62.154 62.300 -0.052 0.000 1.063 94 V CB 1.076 32.889 31.823 -0.016 0.000 1.076 94 V HN 2.538 nan 8.190 nan 0.000 0.446 95 G N 0.560 109.333 108.800 -0.045 0.000 2.661 95 G HA2 0.078 4.038 3.960 0.000 0.000 0.685 95 G HA3 0.078 4.038 3.960 0.000 0.000 0.685 95 G C -2.750 172.125 174.900 -0.041 0.000 1.298 95 G CA -0.298 44.781 45.100 -0.035 0.000 0.855 95 G HN 1.134 nan 8.290 nan 0.000 0.560 96 P HA 0.411 nan 4.420 nan 0.000 0.269 96 P C 0.836 178.118 177.300 -0.029 0.000 1.209 96 P CA 0.438 63.526 63.100 -0.019 0.000 0.776 96 P CB 0.830 32.528 31.700 -0.004 0.000 0.876 97 V N 1.243 121.141 119.914 -0.027 0.000 3.051 97 V HA 0.203 4.323 4.120 0.000 0.000 0.306 97 V C 0.651 176.741 176.094 -0.008 0.000 1.083 97 V CA -0.731 61.550 62.300 -0.033 0.000 1.104 97 V CB -0.382 31.425 31.823 -0.027 0.000 1.027 97 V HN 0.304 nan 8.190 nan 0.000 0.483 98 L N 2.403 123.619 121.223 -0.012 0.000 2.461 98 L HA 0.271 4.611 4.340 0.000 0.000 0.272 98 L C 0.645 177.537 176.870 0.037 0.000 1.197 98 L CA -0.233 54.611 54.840 0.008 0.000 0.836 98 L CB 0.227 42.281 42.059 -0.008 0.000 1.105 98 L HN 1.027 nan 8.230 nan 0.000 0.477 99 D N -0.161 120.276 120.400 0.062 0.000 2.368 99 D HA -0.120 4.520 4.640 0.000 0.000 0.240 99 D C 0.723 177.115 176.300 0.153 0.000 1.169 99 D CA -0.428 53.640 54.000 0.114 0.000 0.906 99 D CB 0.573 41.444 40.800 0.120 0.000 1.187 99 D HN 0.547 nan 8.370 nan 0.000 0.435 100 W N 1.257 122.562 121.300 0.007 0.000 2.302 100 W HA -0.286 4.374 4.660 0.000 0.000 0.320 100 W C 2.186 178.700 176.519 -0.008 0.000 1.241 100 W CA 2.536 59.885 57.345 0.006 0.000 1.264 100 W CB -0.749 28.716 29.460 0.009 0.000 1.154 100 W HN 0.443 nan 8.180 nan 0.000 0.483 101 T N -0.198 114.501 114.554 0.241 0.000 2.746 101 T HA -0.211 4.139 4.350 0.000 0.000 0.267 101 T C 1.560 176.192 174.700 -0.112 0.000 1.039 101 T CA 2.297 64.389 62.100 -0.012 0.000 1.142 101 T CB -0.863 68.082 68.868 0.128 0.000 0.866 101 T HN 0.190 nan 8.240 nan 0.000 0.444 102 T N 2.019 116.563 114.554 -0.017 0.000 2.737 102 T HA 0.007 4.357 4.350 0.000 0.000 0.265 102 T C 2.434 177.090 174.700 -0.073 0.000 1.038 102 T CA 1.118 63.204 62.100 -0.023 0.000 1.144 102 T CB -0.561 68.321 68.868 0.023 0.000 0.866 102 T HN 0.425 nan 8.240 nan 0.000 0.434 103 A N 1.744 124.510 122.820 -0.090 0.000 1.933 103 A HA -0.130 4.190 4.320 0.000 0.000 0.218 103 A C 2.376 179.856 177.584 -0.173 0.000 1.175 103 A CA 1.461 53.430 52.037 -0.113 0.000 0.628 103 A CB -0.471 18.467 19.000 -0.103 0.000 0.814 103 A HN 0.417 nan 8.150 nan 0.000 0.444 104 R N -0.644 119.685 120.500 -0.284 0.000 2.090 104 R HA 0.021 4.361 4.340 0.000 0.000 0.228 104 R C 2.439 178.609 176.300 -0.218 0.000 1.110 104 R CA 1.033 56.939 56.100 -0.323 0.000 0.973 104 R CB -0.410 29.549 30.300 -0.568 0.000 0.869 104 R HN 0.498 nan 8.270 nan 0.000 0.440 105 A N 1.181 123.890 122.820 -0.184 0.000 1.933 105 A HA -0.191 4.130 4.320 0.000 0.000 0.218 105 A C 2.115 179.647 177.584 -0.087 0.000 1.175 105 A CA 1.327 53.291 52.037 -0.122 0.000 0.628 105 A CB -0.449 18.504 19.000 -0.078 0.000 0.814 105 A HN 0.326 nan 8.150 nan 0.000 0.444 106 M N -0.293 119.258 119.600 -0.082 0.000 2.099 106 M HA -0.118 4.362 4.480 0.000 0.000 0.262 106 M C 1.887 178.148 176.300 -0.066 0.000 1.067 106 M CA 1.969 57.232 55.300 -0.061 0.000 1.124 106 M CB -0.222 32.345 32.600 -0.055 0.000 1.353 106 M HN 0.199 nan 8.290 nan 0.000 0.410 107 V N 1.089 120.953 119.914 -0.084 0.000 2.295 107 V HA -0.277 3.843 4.120 0.000 0.000 0.246 107 V C 2.425 178.478 176.094 -0.069 0.000 1.049 107 V CA 1.729 63.984 62.300 -0.075 0.000 1.024 107 V CB -1.002 30.769 31.823 -0.087 0.000 0.648 107 V HN 0.584 nan 8.190 nan 0.000 0.447 108 L N 1.064 122.236 121.223 -0.085 0.000 2.012 108 L HA -0.118 4.222 4.340 0.000 0.000 0.210 108 L C 2.466 179.299 176.870 -0.061 0.000 1.073 108 L CA 2.440 57.234 54.840 -0.076 0.000 0.748 108 L CB -1.065 40.939 42.059 -0.091 0.000 0.891 108 L HN 0.220 nan 8.230 nan 0.000 0.431 109 A N -0.398 122.387 122.820 -0.058 0.000 1.908 109 A HA -0.287 4.033 4.320 0.000 0.000 0.218 109 A C 2.489 180.050 177.584 -0.038 0.000 1.181 109 A CA 1.999 54.007 52.037 -0.048 0.000 0.627 109 A CB -0.662 18.313 19.000 -0.042 0.000 0.818 109 A HN 0.500 nan 8.150 nan 0.000 0.445 110 R N -0.702 119.777 120.500 -0.035 0.000 2.092 110 R HA -0.078 4.262 4.340 0.000 0.000 0.231 110 R C 1.940 178.228 176.300 -0.021 0.000 1.119 110 R CA 1.490 57.575 56.100 -0.024 0.000 0.970 110 R CB -0.606 29.680 30.300 -0.025 0.000 0.864 110 R HN 0.462 nan 8.270 nan 0.000 0.440 111 L N -0.182 121.024 121.223 -0.029 0.000 2.046 111 L HA -0.096 4.244 4.340 0.000 0.000 0.208 111 L C 1.859 178.715 176.870 -0.023 0.000 1.077 111 L CA 1.653 56.478 54.840 -0.025 0.000 0.747 111 L CB -0.488 41.551 42.059 -0.032 0.000 0.896 111 L HN 0.058 nan 8.230 nan 0.000 0.432 112 V N -0.992 118.902 119.914 -0.033 0.000 2.407 112 V HA -0.248 3.872 4.120 0.000 0.000 0.248 112 V C 2.767 178.847 176.094 -0.024 0.000 1.055 112 V CA 1.753 64.031 62.300 -0.035 0.000 1.049 112 V CB -0.754 31.035 31.823 -0.055 0.000 0.662 112 V HN 0.644 nan 8.190 nan 0.000 0.455 113 S N -0.382 115.306 115.700 -0.020 0.000 2.368 113 S HA -0.122 4.348 4.470 0.000 0.000 0.225 113 S C 1.905 176.508 174.600 0.005 0.000 1.030 113 S CA 1.551 59.745 58.200 -0.010 0.000 0.999 113 S CB -0.309 62.888 63.200 -0.006 0.000 0.844 113 S HN 0.532 nan 8.310 nan 0.000 0.459 114 I N 1.545 122.119 120.570 0.007 0.000 2.315 114 I HA -0.089 4.081 4.170 0.000 0.000 0.248 114 I C 2.650 178.778 176.117 0.018 0.000 1.117 114 I CA 0.984 62.296 61.300 0.020 0.000 1.404 114 I CB -0.448 37.562 38.000 0.017 0.000 1.071 114 I HN 0.354 nan 8.210 nan 0.000 0.419 115 A N 0.093 122.917 122.820 0.006 0.000 2.178 115 A HA -0.187 4.133 4.320 0.000 0.000 0.218 115 A C 2.051 179.642 177.584 0.012 0.000 1.157 115 A CA 1.098 53.139 52.037 0.006 0.000 0.689 115 A CB -0.335 18.663 19.000 -0.003 0.000 0.787 115 A HN 0.401 nan 8.150 nan 0.000 0.465 116 Q N -1.111 118.698 119.800 0.014 0.000 2.436 116 Q HA 0.062 4.402 4.340 0.000 0.000 0.209 116 Q C 1.247 177.263 176.000 0.027 0.000 0.965 116 Q CA 0.798 56.611 55.803 0.017 0.000 0.910 116 Q CB -0.523 28.223 28.738 0.013 0.000 0.980 116 Q HN 1.039 nan 8.270 nan 0.000 0.491 117 G N 0.486 109.307 108.800 0.034 0.000 2.212 117 G HA2 -0.218 3.742 3.960 0.000 0.000 0.255 117 G HA3 -0.218 3.742 3.960 0.000 0.000 0.255 117 G C 0.468 175.411 174.900 0.072 0.000 1.062 117 G CA 0.415 45.542 45.100 0.045 0.000 0.815 117 G HN 0.519 nan 8.290 nan 0.000 0.497 118 A N -1.082 121.793 122.820 0.092 0.000 2.635 118 A HA 0.740 5.060 4.320 0.000 0.000 0.279 118 A C 1.630 179.349 177.584 0.225 0.000 1.122 118 A CA 1.377 53.495 52.037 0.135 0.000 0.965 118 A CB 0.325 19.362 19.000 0.062 0.000 1.221 118 A HN 0.747 nan 8.150 nan 0.000 0.566 119 S N -1.331 114.503 115.700 0.224 0.000 2.506 119 S HA 0.376 4.846 4.470 0.000 0.000 0.219 119 S C 1.492 176.299 174.600 0.345 0.000 1.031 119 S CA 0.701 59.071 58.200 0.283 0.000 0.911 119 S CB 0.491 63.778 63.200 0.145 0.000 0.812 119 S HN 1.652 nan 8.310 nan 0.000 0.497 120 G N 1.933 110.834 108.800 0.169 0.000 2.143 120 G HA2 -0.211 3.749 3.960 0.000 0.000 0.249 120 G HA3 -0.211 3.749 3.960 0.000 0.000 0.249 120 G C 0.218 175.133 174.900 0.026 0.000 0.981 120 G CA 0.014 45.108 45.100 -0.008 0.000 0.665 120 G HN 0.883 nan 8.290 nan 0.000 0.528 121 A N 0.397 123.250 122.820 0.054 0.000 2.540 121 A HA 0.602 4.922 4.320 0.000 0.000 0.239 121 A C 1.166 178.753 177.584 0.005 0.000 1.061 121 A CA 1.037 53.093 52.037 0.032 0.000 0.758 121 A CB 0.193 19.211 19.000 0.031 0.000 0.991 121 A HN 2.034 nan 8.150 nan 0.000 0.502 122 S N 1.615 117.305 115.700 -0.016 0.000 2.603 122 S HA 0.190 4.660 4.470 0.000 0.000 0.268 122 S C 0.758 175.342 174.600 -0.027 0.000 1.317 122 S CA 0.061 58.238 58.200 -0.037 0.000 1.012 122 S CB 0.838 63.990 63.200 -0.080 0.000 0.926 122 S HN 0.730 nan 8.310 nan 0.000 0.539 123 E N 1.739 121.923 120.200 -0.027 0.000 2.097 123 E HA -0.152 4.198 4.350 0.000 0.000 0.196 123 E C 2.130 178.718 176.600 -0.021 0.000 1.000 123 E CA 1.328 57.715 56.400 -0.020 0.000 0.804 123 E CB -0.773 28.915 29.700 -0.020 0.000 0.740 123 E HN 0.914 nan 8.360 nan 0.000 0.454 124 G N 0.279 109.062 108.800 -0.028 0.000 2.418 124 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 124 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 124 G C 1.628 176.516 174.900 -0.020 0.000 1.158 124 G CA 1.303 46.388 45.100 -0.025 0.000 0.771 124 G HN 0.199 nan 8.290 nan 0.000 0.545 125 T N 1.257 115.798 114.554 -0.023 0.000 2.746 125 T HA -0.032 4.318 4.350 0.000 0.000 0.267 125 T C 2.388 177.082 174.700 -0.011 0.000 1.039 125 T CA 0.910 63.000 62.100 -0.016 0.000 1.142 125 T CB -0.148 68.710 68.868 -0.017 0.000 0.866 125 T HN 0.244 nan 8.240 nan 0.000 0.444 126 I N 1.258 121.822 120.570 -0.010 0.000 2.286 126 I HA -0.160 4.010 4.170 0.000 0.000 0.248 126 I C 2.846 178.957 176.117 -0.010 0.000 1.115 126 I CA 0.973 62.267 61.300 -0.009 0.000 1.392 126 I CB -0.407 37.589 38.000 -0.007 0.000 1.065 126 I HN 0.186 nan 8.210 nan 0.000 0.418 127 A N 0.802 123.615 122.820 -0.010 0.000 1.933 127 A HA -0.162 4.158 4.320 0.000 0.000 0.218 127 A C 2.322 179.902 177.584 -0.007 0.000 1.175 127 A CA 1.188 53.220 52.037 -0.010 0.000 0.628 127 A CB -0.362 18.632 19.000 -0.011 0.000 0.814 127 A HN 0.251 nan 8.150 nan 0.000 0.444 128 R N -0.120 120.377 120.500 -0.004 0.000 2.092 128 R HA -0.015 4.325 4.340 0.000 0.000 0.231 128 R C 1.991 178.295 176.300 0.007 0.000 1.119 128 R CA 1.106 57.209 56.100 0.006 0.000 0.970 128 R CB -0.979 29.327 30.300 0.011 0.000 0.864 128 R HN 0.587 nan 8.270 nan 0.000 0.440 129 L N 0.217 121.438 121.223 -0.004 0.000 2.027 129 L HA -0.097 4.243 4.340 0.000 0.000 0.206 129 L C 2.514 179.373 176.870 -0.018 0.000 1.074 129 L CA 1.152 55.985 54.840 -0.012 0.000 0.745 129 L CB -0.511 41.537 42.059 -0.019 0.000 0.898 129 L HN 0.044 nan 8.230 nan 0.000 0.433 130 I N 0.047 120.606 120.570 -0.017 0.000 2.179 130 I HA -0.306 3.864 4.170 0.000 0.000 0.242 130 I C 2.183 178.289 176.117 -0.018 0.000 1.088 130 I CA 1.283 62.571 61.300 -0.020 0.000 1.357 130 I CB -0.435 37.556 38.000 -0.016 0.000 1.051 130 I HN 0.266 nan 8.210 nan 0.000 0.409 131 D N 0.760 121.153 120.400 -0.011 0.000 2.104 131 D HA -0.193 4.447 4.640 0.000 0.000 0.194 131 D C 2.133 178.428 176.300 -0.009 0.000 0.994 131 D CA 1.020 55.014 54.000 -0.010 0.000 0.830 131 D CB -0.407 40.388 40.800 -0.008 0.000 0.959 131 D HN 0.163 nan 8.370 nan 0.000 0.452 132 L N 0.782 122.005 121.223 0.000 0.000 2.012 132 L HA -0.165 4.175 4.340 0.000 0.000 0.210 132 L C 2.169 179.022 176.870 -0.028 0.000 1.073 132 L CA 1.463 56.309 54.840 0.009 0.000 0.748 132 L CB -0.889 41.191 42.059 0.035 0.000 0.891 132 L HN 0.109 nan 8.230 nan 0.000 0.431 133 L N 0.072 121.265 121.223 -0.049 0.000 2.131 133 L HA -0.208 4.132 4.340 0.000 0.000 0.210 133 L C 2.033 178.875 176.870 -0.047 0.000 1.092 133 L CA 0.951 55.744 54.840 -0.079 0.000 0.759 133 L CB -0.586 41.427 42.059 -0.078 0.000 0.903 133 L HN 0.369 nan 8.230 nan 0.000 0.435 134 N N -0.493 118.194 118.700 -0.022 0.000 2.463 134 N HA -0.021 4.719 4.740 0.000 0.000 0.181 134 N C 0.964 176.483 175.510 0.015 0.000 1.078 134 N CA 0.455 53.503 53.050 -0.003 0.000 0.902 134 N CB 0.119 38.603 38.487 -0.005 0.000 0.970 134 N HN 0.347 nan 8.380 nan 0.000 0.451 135 S N 0.106 115.816 115.700 0.016 0.000 2.686 135 S HA 0.258 4.729 4.470 0.000 0.000 0.270 135 S C 0.764 175.431 174.600 0.111 0.000 1.194 135 S CA -0.410 57.812 58.200 0.037 0.000 0.990 135 S CB 1.382 64.587 63.200 0.009 0.000 1.029 135 S HN -0.077 nan 8.310 nan 0.000 0.560 136 E N 0.090 120.382 120.200 0.153 0.000 2.444 136 E HA 0.360 4.710 4.350 0.000 0.000 0.191 136 E C -0.144 176.751 176.600 0.492 0.000 1.041 136 E CA -0.003 56.580 56.400 0.305 0.000 0.883 136 E CB -0.224 29.566 29.700 0.150 0.000 1.024 136 E HN 0.508 nan 8.360 nan 0.000 0.470 137 L N -0.304 121.121 121.223 0.336 0.000 2.298 137 L HA 0.782 5.122 4.340 0.000 0.000 0.268 137 L C -0.039 176.940 176.870 0.182 0.000 1.010 137 L CA -1.137 53.933 54.840 0.384 0.000 0.812 137 L CB 1.544 43.707 42.059 0.173 0.000 1.331 137 L HN -0.172 nan 8.230 nan 0.000 0.450 138 A N 0.682 123.632 122.820 0.217 0.000 2.549 138 A HA 0.815 5.135 4.320 0.000 0.000 0.297 138 A C -2.837 174.823 177.584 0.127 0.000 1.061 138 A CA -1.357 50.663 52.037 -0.028 0.000 0.690 138 A CB 1.900 20.683 19.000 -0.361 0.000 1.287 138 A HN 0.363 nan 8.150 nan 0.000 0.402 139 P HA 0.407 nan 4.420 nan 0.000 0.274 139 P C -0.399 176.818 177.300 -0.138 0.000 1.231 139 P CA 0.023 62.983 63.100 -0.233 0.000 0.790 139 P CB 1.352 32.907 31.700 -0.241 0.000 0.951 140 A N 3.098 125.815 122.820 -0.172 0.000 2.294 140 A HA 0.498 4.818 4.320 0.000 0.000 0.316 140 A C -0.289 177.230 177.584 -0.108 0.000 1.359 140 A CA -0.459 51.528 52.037 -0.085 0.000 0.956 140 A CB -0.215 18.754 19.000 -0.051 0.000 1.155 140 A HN 0.347 nan 8.150 nan 0.000 0.544 141 V N 5.406 125.262 119.914 -0.097 0.000 2.604 141 V HA 0.452 4.572 4.120 0.000 0.000 0.305 141 V C -2.222 173.775 176.094 -0.162 0.000 1.043 141 V CA -1.797 60.426 62.300 -0.129 0.000 0.888 141 V CB 2.209 33.989 31.823 -0.071 0.000 0.995 141 V HN 0.812 nan 8.190 nan 0.000 0.429 142 P HA 0.073 nan 4.420 nan 0.000 0.268 142 P C 0.615 177.837 177.300 -0.130 0.000 1.205 142 P CA 0.099 63.062 63.100 -0.228 0.000 0.771 142 P CB 0.988 32.472 31.700 -0.359 0.000 0.858 143 S N 2.489 118.144 115.700 -0.075 0.000 2.470 143 S HA 0.052 4.522 4.470 0.000 0.000 0.225 143 S C 0.818 175.405 174.600 -0.023 0.000 1.006 143 S CA -0.002 58.176 58.200 -0.037 0.000 0.934 143 S CB -0.053 63.137 63.200 -0.017 0.000 0.778 143 S HN 0.406 nan 8.310 nan 0.000 0.517 144 R N -0.225 120.258 120.500 -0.029 0.000 2.732 144 R HA 0.630 4.970 4.340 0.000 0.000 0.278 144 R C 0.673 176.972 176.300 -0.002 0.000 0.976 144 R CA -0.029 56.066 56.100 -0.009 0.000 0.963 144 R CB 1.601 31.897 30.300 -0.006 0.000 1.150 144 R HN 0.320 nan 8.270 nan 0.000 0.478 145 G N 0.263 109.072 108.800 0.015 0.000 2.813 145 G HA2 -0.203 3.757 3.960 0.000 0.000 0.194 145 G HA3 -0.203 3.757 3.960 0.000 0.000 0.194 145 G C 0.020 174.938 174.900 0.031 0.000 1.010 145 G CA -0.038 45.079 45.100 0.029 0.000 0.771 145 G HN 0.606 nan 8.290 nan 0.000 0.485 146 T N 0.433 115.003 114.554 0.026 0.000 2.925 146 T HA 0.541 4.891 4.350 0.000 0.000 0.285 146 T C 1.394 176.114 174.700 0.032 0.000 1.021 146 T CA 0.413 62.528 62.100 0.025 0.000 1.042 146 T CB 1.731 70.611 68.868 0.019 0.000 1.037 146 T HN 1.135 nan 8.240 nan 0.000 0.481 147 V N 1.206 121.141 119.914 0.036 0.000 3.596 147 V HA 0.597 4.717 4.120 0.000 0.000 0.289 147 V C 1.190 177.317 176.094 0.055 0.000 1.336 147 V CA 0.282 62.610 62.300 0.047 0.000 1.137 147 V CB -1.392 30.461 31.823 0.049 0.000 0.966 147 V HN 1.400 nan 8.190 nan 0.000 0.428 153 L N -0.180 121.010 121.223 -0.056 0.000 1.990 153 L HA -0.210 4.130 4.340 0.000 0.000 0.213 153 L C 2.392 179.205 176.870 -0.095 0.000 1.072 153 L CA 1.801 56.579 54.840 -0.103 0.000 0.755 153 L CB -0.909 41.068 42.059 -0.137 0.000 0.889 153 L HN 0.119 nan 8.230 nan 0.000 0.432 154 T N 0.254 114.781 114.554 -0.045 0.000 2.595 154 T HA -0.112 4.238 4.350 0.000 0.000 0.264 154 T C -0.402 174.354 174.700 0.093 0.000 1.058 154 T CA 1.827 63.933 62.100 0.010 0.000 1.166 154 T CB -1.424 67.478 68.868 0.057 0.000 0.863 154 T HN 0.336 nan 8.240 nan 0.000 0.415 155 P HA 0.002 nan 4.420 nan 0.000 0.218 155 P C 1.589 178.911 177.300 0.036 0.000 1.149 155 P CA 1.015 64.155 63.100 0.066 0.000 0.817 155 P CB -0.246 31.461 31.700 0.012 0.000 0.785 156 L N -0.759 120.456 121.223 -0.014 0.000 2.156 156 L HA -0.060 4.280 4.340 0.000 0.000 0.208 156 L C 2.768 179.591 176.870 -0.078 0.000 1.095 156 L CA 1.223 56.035 54.840 -0.046 0.000 0.770 156 L CB -0.970 41.056 42.059 -0.056 0.000 0.914 156 L HN -0.055 nan 8.230 nan 0.000 0.439 157 A N -0.948 121.800 122.820 -0.119 0.000 1.930 157 A HA -0.209 4.111 4.320 0.000 0.000 0.217 157 A C 2.103 179.562 177.584 -0.208 0.000 1.175 157 A CA 1.199 53.111 52.037 -0.209 0.000 0.627 157 A CB -0.669 18.144 19.000 -0.312 0.000 0.815 157 A HN 0.400 nan 8.150 nan 0.000 0.443 158 H N -1.165 117.844 119.070 -0.101 0.000 2.423 158 H HA -0.079 4.477 4.556 0.000 0.000 0.297 158 H C 2.080 177.337 175.328 -0.120 0.000 1.075 158 H CA 1.681 57.672 56.048 -0.096 0.000 1.342 158 H CB -0.242 29.469 29.762 -0.085 0.000 1.395 158 H HN 0.614 nan 8.280 nan 0.000 0.530 159 M N 0.624 120.219 119.600 -0.007 0.000 2.086 159 M HA -0.156 4.324 4.480 0.000 0.000 0.261 159 M C 2.085 178.331 176.300 -0.090 0.000 1.067 159 M CA 1.387 56.645 55.300 -0.071 0.000 1.116 159 M CB -0.142 32.422 32.600 -0.061 0.000 1.348 159 M HN -0.011 nan 8.290 nan 0.000 0.407 160 V N 1.359 121.223 119.914 -0.084 0.000 2.287 160 V HA -0.313 3.807 4.120 0.000 0.000 0.248 160 V C 2.470 178.518 176.094 -0.077 0.000 1.053 160 V CA 1.954 64.205 62.300 -0.082 0.000 1.027 160 V CB -0.843 30.917 31.823 -0.104 0.000 0.646 160 V HN 0.555 nan 8.190 nan 0.000 0.447 161 L N -0.807 120.364 121.223 -0.087 0.000 2.042 161 L HA -0.240 4.100 4.340 0.000 0.000 0.210 161 L C 2.662 179.487 176.870 -0.075 0.000 1.076 161 L CA 1.722 56.525 54.840 -0.061 0.000 0.749 161 L CB -0.776 41.250 42.059 -0.054 0.000 0.893 161 L HN 0.408 nan 8.230 nan 0.000 0.432 162 C N -0.200 119.008 119.300 -0.153 0.000 2.432 162 C HA -0.158 4.302 4.460 0.000 0.000 0.277 162 C C 2.689 177.532 174.990 -0.245 0.000 1.249 162 C CA 0.482 59.288 59.018 -0.354 0.000 1.725 162 C CB -0.855 26.548 27.740 -0.561 0.000 2.028 162 C HN 0.444 nan 8.230 nan 0.000 0.477 163 L N 0.225 121.397 121.223 -0.086 0.000 2.275 163 L HA -0.154 4.186 4.340 0.000 0.000 0.215 163 L C 2.462 179.398 176.870 0.110 0.000 1.119 163 L CA 1.247 56.145 54.840 0.097 0.000 0.790 163 L CB -0.639 41.447 42.059 0.046 0.000 0.919 163 L HN 0.508 nan 8.230 nan 0.000 0.443 164 Q N -0.295 119.536 119.800 0.052 0.000 2.403 164 Q HA 0.085 4.425 4.340 0.000 0.000 0.203 164 Q C 1.349 177.400 176.000 0.085 0.000 0.932 164 Q CA 0.537 56.371 55.803 0.051 0.000 0.945 164 Q CB 0.463 29.211 28.738 0.018 0.000 1.045 164 Q HN 0.565 nan 8.270 nan 0.000 0.511 165 G N 1.552 110.434 108.800 0.137 0.000 2.141 165 G HA2 -0.300 3.660 3.960 0.000 0.000 0.242 165 G HA3 -0.300 3.660 3.960 0.000 0.000 0.242 165 G C 0.486 175.453 174.900 0.111 0.000 0.982 165 G CA 0.026 45.236 45.100 0.184 0.000 0.662 165 G HN 0.309 nan 8.290 nan 0.000 0.527 166 R N 0.084 120.619 120.500 0.059 0.000 2.552 166 R HA 0.473 4.813 4.340 0.000 0.000 0.314 166 R C 1.002 177.310 176.300 0.013 0.000 1.041 166 R CA 0.502 56.626 56.100 0.039 0.000 1.076 166 R CB 0.784 31.108 30.300 0.039 0.000 1.290 166 R HN 0.523 nan 8.270 nan 0.000 0.563 167 G N -0.365 108.425 108.800 -0.017 0.000 2.692 167 G HA2 0.231 4.191 3.960 0.000 0.000 0.291 167 G HA3 0.231 4.191 3.960 0.000 0.000 0.291 167 G C -1.527 173.309 174.900 -0.107 0.000 1.423 167 G CA -0.667 44.396 45.100 -0.063 0.000 0.843 167 G HN -0.114 nan 8.290 nan 0.000 0.486 168 D N -0.506 119.843 120.400 -0.085 0.000 2.357 168 D HA 0.571 5.211 4.640 0.000 0.000 0.242 168 D C -0.505 175.694 176.300 -0.168 0.000 1.153 168 D CA 0.524 54.508 54.000 -0.027 0.000 0.918 168 D CB 0.929 41.737 40.800 0.014 0.000 1.181 168 D HN 0.098 nan 8.370 nan 0.000 0.435 169 F N -0.385 119.589 119.950 0.040 0.000 2.598 169 F HA 0.505 5.032 4.527 0.000 0.000 0.327 169 F C -0.129 175.717 175.800 0.077 0.000 1.057 169 F CA -0.928 57.104 58.000 0.053 0.000 0.957 169 F CB 1.184 40.216 39.000 0.053 0.000 1.278 169 F HN -0.073 nan 8.300 nan 0.000 0.484 170 L N 1.687 123.111 121.223 0.334 0.000 2.346 170 L HA 0.412 4.752 4.340 0.000 0.000 0.276 170 L C -0.982 176.112 176.870 0.373 0.000 1.006 170 L CA -1.060 53.956 54.840 0.293 0.000 0.817 170 L CB 1.754 43.992 42.059 0.298 0.000 1.272 170 L HN 0.599 nan 8.230 nan 0.000 0.421 171 D N 1.001 121.519 120.400 0.196 0.000 2.423 171 D HA 0.129 4.770 4.640 0.000 0.000 0.255 171 D C 0.924 177.098 176.300 -0.209 0.000 1.174 171 D CA -0.746 53.300 54.000 0.077 0.000 1.008 171 D CB 0.811 41.607 40.800 -0.007 0.000 1.101 171 D HN 0.346 nan 8.370 nan 0.000 0.516 172 R N -0.533 119.574 120.500 -0.655 0.000 2.185 172 R HA -0.153 4.187 4.340 0.000 0.000 0.247 172 R C 0.568 176.516 176.300 -0.588 0.000 1.159 172 R CA 1.641 56.981 56.100 -1.266 0.000 0.988 172 R CB -0.247 29.421 30.300 -1.054 0.000 0.871 172 R HN 0.449 nan 8.270 nan 0.000 0.458 173 D N -1.562 118.660 120.400 -0.297 0.000 2.340 173 D HA 0.121 4.761 4.640 0.000 0.000 0.220 173 D C 0.889 177.150 176.300 -0.064 0.000 1.039 173 D CA 0.992 54.901 54.000 -0.151 0.000 0.866 173 D CB 0.689 41.426 40.800 -0.106 0.000 0.913 173 D HN 0.500 nan 8.370 nan 0.000 0.523 174 G N 0.909 109.693 108.800 -0.027 0.000 2.176 174 G HA2 -0.263 3.697 3.960 0.000 0.000 0.253 174 G HA3 -0.263 3.697 3.960 0.000 0.000 0.253 174 G C 0.576 175.502 174.900 0.044 0.000 0.979 174 G CA 0.215 45.341 45.100 0.044 0.000 0.641 174 G HN 0.287 nan 8.290 nan 0.000 0.530 175 T N 3.018 117.587 114.554 0.025 0.000 2.853 175 T HA 0.422 4.772 4.350 0.000 0.000 0.298 175 T C 0.790 175.528 174.700 0.063 0.000 0.978 175 T CA -0.101 62.017 62.100 0.031 0.000 1.152 175 T CB 0.810 69.686 68.868 0.013 0.000 0.914 175 T HN 0.270 nan 8.240 nan 0.000 0.539 176 R N 3.010 123.546 120.500 0.059 0.000 2.390 176 R HA 0.441 4.781 4.340 0.000 0.000 0.291 176 R C -0.348 176.003 176.300 0.085 0.000 1.070 176 R CA -0.279 55.867 56.100 0.077 0.000 1.014 176 R CB 0.545 30.877 30.300 0.053 0.000 1.007 176 R HN 0.571 nan 8.270 nan 0.000 0.466 177 L N 2.337 123.636 121.223 0.127 0.000 2.381 177 L HA 0.277 4.617 4.340 0.000 0.000 0.268 177 L C 0.137 177.103 176.870 0.159 0.000 0.997 177 L CA -1.280 53.636 54.840 0.127 0.000 0.818 177 L CB 2.022 44.164 42.059 0.137 0.000 1.310 177 L HN 0.603 nan 8.230 nan 0.000 0.416 178 D N 1.268 121.740 120.400 0.120 0.000 2.371 178 D HA 0.079 4.719 4.640 0.000 0.000 0.242 178 D C 1.230 177.655 176.300 0.208 0.000 1.218 178 D CA 0.002 54.078 54.000 0.126 0.000 0.945 178 D CB 0.897 41.745 40.800 0.079 0.000 1.137 178 D HN 0.573 nan 8.370 nan 0.000 0.464 179 G N -0.113 108.808 108.800 0.202 0.000 2.491 179 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 179 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 179 G C 1.511 176.552 174.900 0.236 0.000 1.180 179 G CA 1.914 47.194 45.100 0.301 0.000 0.774 179 G HN 0.711 nan 8.290 nan 0.000 0.562 180 A N 0.706 123.600 122.820 0.124 0.000 1.883 180 A HA -0.064 4.256 4.320 0.000 0.000 0.217 180 A C 2.215 179.813 177.584 0.025 0.000 1.186 180 A CA 2.344 54.420 52.037 0.065 0.000 0.624 180 A CB -0.497 18.530 19.000 0.045 0.000 0.822 180 A HN 0.428 nan 8.150 nan 0.000 0.444 181 E N 0.188 120.408 120.200 0.033 0.000 2.110 181 E HA -0.061 4.289 4.350 0.000 0.000 0.193 181 E C 1.952 178.509 176.600 -0.072 0.000 0.988 181 E CA 1.680 58.079 56.400 -0.002 0.000 0.804 181 E CB -0.878 28.837 29.700 0.025 0.000 0.745 181 E HN 0.398 nan 8.360 nan 0.000 0.458 182 G N 0.807 109.545 108.800 -0.102 0.000 2.421 182 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 182 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 182 G C 1.640 176.173 174.900 -0.612 0.000 1.171 182 G CA 0.982 45.773 45.100 -0.515 0.000 0.775 182 G HN 0.314 nan 8.290 nan 0.000 0.543 183 L N -0.138 120.851 121.223 -0.390 0.000 2.042 183 L HA -0.091 4.249 4.340 0.000 0.000 0.210 183 L C 2.939 179.712 176.870 -0.162 0.000 1.076 183 L CA 1.519 56.216 54.840 -0.239 0.000 0.749 183 L CB -0.467 41.552 42.059 -0.068 0.000 0.893 183 L HN 0.216 nan 8.230 nan 0.000 0.432 184 R N 0.552 120.983 120.500 -0.115 0.000 2.070 184 R HA -0.221 4.120 4.340 0.000 0.000 0.232 184 R C 2.534 178.782 176.300 -0.087 0.000 1.138 184 R CA 1.902 57.956 56.100 -0.076 0.000 0.936 184 R CB -0.259 30.012 30.300 -0.049 0.000 0.839 184 R HN 0.172 nan 8.270 nan 0.000 0.429 185 R N -0.613 119.825 120.500 -0.103 0.000 2.103 185 R HA -0.111 4.229 4.340 0.000 0.000 0.242 185 R C 1.867 178.113 176.300 -0.091 0.000 1.142 185 R CA 1.925 57.973 56.100 -0.087 0.000 0.960 185 R CB -0.522 29.728 30.300 -0.082 0.000 0.858 185 R HN 0.444 nan 8.270 nan 0.000 0.439 186 G N -0.624 108.090 108.800 -0.143 0.000 3.042 186 G HA2 -0.072 3.888 3.960 0.000 0.000 0.212 186 G HA3 -0.072 3.888 3.960 0.000 0.000 0.212 186 G C 0.017 174.865 174.900 -0.087 0.000 1.166 186 G CA -0.049 44.983 45.100 -0.113 0.000 0.767 186 G HN 0.411 nan 8.290 nan 0.000 0.546 187 R N -0.839 119.610 120.500 -0.085 0.000 3.146 187 R HA -0.147 4.193 4.340 0.000 0.000 0.250 187 R C -0.934 175.332 176.300 -0.057 0.000 0.912 187 R CA 0.141 56.206 56.100 -0.059 0.000 0.633 187 R CB -1.862 28.415 30.300 -0.038 0.000 1.180 187 R HN 0.334 nan 8.270 nan 0.000 0.464 188 L N 1.542 122.720 121.223 -0.075 0.000 2.333 188 L HA 0.519 4.859 4.340 0.000 0.000 0.269 188 L C 0.281 177.132 176.870 -0.031 0.000 1.010 188 L CA -1.234 53.574 54.840 -0.055 0.000 0.818 188 L CB 1.883 43.894 42.059 -0.080 0.000 1.306 188 L HN 0.176 nan 8.230 nan 0.000 0.430 189 Q N 2.364 122.158 119.800 -0.010 0.000 2.245 189 Q HA 0.416 4.756 4.340 0.000 0.000 0.256 189 Q C -2.356 173.654 176.000 0.017 0.000 0.942 189 Q CA -1.914 53.888 55.803 -0.001 0.000 0.896 189 Q CB 1.739 30.475 28.738 -0.004 0.000 1.272 189 Q HN 0.300 nan 8.270 nan 0.000 0.442 190 P HA 0.006 nan 4.420 nan 0.000 0.268 190 P C -0.251 177.063 177.300 0.024 0.000 1.205 190 P CA -0.534 62.589 63.100 0.038 0.000 0.771 190 P CB 0.668 32.388 31.700 0.033 0.000 0.858 191 L N 3.053 124.293 121.223 0.029 0.000 2.513 191 L HA 0.122 4.462 4.340 0.000 0.000 0.272 191 L C 0.102 176.969 176.870 -0.004 0.000 1.187 191 L CA 0.745 55.590 54.840 0.009 0.000 0.895 191 L CB -0.631 41.432 42.059 0.006 0.000 1.147 191 L HN 0.309 nan 8.230 nan 0.000 0.483 192 D N 5.186 125.577 120.400 -0.015 0.000 2.462 192 D HA 0.251 4.891 4.640 0.000 0.000 0.249 192 D C -0.684 175.594 176.300 -0.037 0.000 1.117 192 D CA -0.295 53.690 54.000 -0.024 0.000 0.900 192 D CB 0.211 40.996 40.800 -0.025 0.000 1.039 192 D HN 0.485 nan 8.370 nan 0.000 0.516 193 L N 2.106 123.307 121.223 -0.036 0.000 2.416 193 L HA 0.310 4.650 4.340 0.000 0.000 0.272 193 L C 0.701 177.542 176.870 -0.049 0.000 1.161 193 L CA -0.117 54.699 54.840 -0.040 0.000 0.845 193 L CB 1.008 43.045 42.059 -0.037 0.000 1.119 193 L HN 0.304 nan 8.230 nan 0.000 0.464 194 S N 1.407 117.065 115.700 -0.069 0.000 2.570 194 S HA 0.502 4.972 4.470 0.000 0.000 0.286 194 S C -0.090 174.492 174.600 -0.030 0.000 1.099 194 S CA -0.388 57.736 58.200 -0.127 0.000 0.913 194 S CB 0.798 63.814 63.200 -0.307 0.000 1.085 194 S HN 0.958 nan 8.310 nan 0.000 0.480 195 H N 1.653 120.720 119.070 -0.004 0.000 1.452 195 H HA -0.275 4.281 4.556 0.000 0.000 0.090 195 H C 0.921 176.265 175.328 0.026 0.000 0.985 195 H CA 1.601 57.649 56.048 0.001 0.000 1.901 195 H CB -0.657 29.090 29.762 -0.025 0.000 2.257 195 H HN 0.793 nan 8.280 nan 0.000 0.961 196 R N 1.911 122.530 120.500 0.199 0.000 2.515 196 R HA 0.093 4.433 4.340 0.000 0.000 0.294 196 R C 0.130 176.501 176.300 0.119 0.000 1.021 196 R CA 0.506 56.702 56.100 0.160 0.000 1.081 196 R CB 0.371 30.799 30.300 0.214 0.000 1.263 196 R HN 0.300 nan 8.270 nan 0.000 0.557 197 D N 2.479 122.927 120.400 0.080 0.000 2.149 197 D HA -0.233 4.407 4.640 0.000 0.000 0.194 197 D C 1.934 178.246 176.300 0.019 0.000 1.001 197 D CA 2.053 56.078 54.000 0.041 0.000 0.849 197 D CB -0.172 40.631 40.800 0.005 0.000 0.939 197 D HN 0.450 nan 8.370 nan 0.000 0.449 198 A N 0.641 123.464 122.820 0.005 0.000 1.873 198 A HA -0.201 4.119 4.320 0.000 0.000 0.218 198 A C 2.230 179.787 177.584 -0.045 0.000 1.193 198 A CA 1.397 53.409 52.037 -0.041 0.000 0.629 198 A CB -0.895 18.071 19.000 -0.056 0.000 0.826 198 A HN 0.247 nan 8.150 nan 0.000 0.447 199 L N -0.628 120.603 121.223 0.014 0.000 2.093 199 L HA -0.028 4.312 4.340 0.000 0.000 0.208 199 L C 2.798 179.693 176.870 0.042 0.000 1.085 199 L CA 1.878 56.736 54.840 0.029 0.000 0.755 199 L CB -0.705 41.440 42.059 0.142 0.000 0.904 199 L HN 0.388 nan 8.230 nan 0.000 0.435 200 A N -0.606 122.253 122.820 0.066 0.000 1.865 200 A HA -0.199 4.121 4.320 0.000 0.000 0.217 200 A C 2.216 179.814 177.584 0.024 0.000 1.191 200 A CA 1.980 54.056 52.037 0.065 0.000 0.623 200 A CB -0.943 18.106 19.000 0.081 0.000 0.826 200 A HN 0.438 nan 8.150 nan 0.000 0.444 201 L N -0.799 120.424 121.223 -0.000 0.000 2.265 201 L HA -0.111 4.229 4.340 0.000 0.000 0.215 201 L C 2.041 178.886 176.870 -0.041 0.000 1.117 201 L CA 0.666 55.492 54.840 -0.023 0.000 0.782 201 L CB -0.187 41.850 42.059 -0.037 0.000 0.914 201 L HN 0.275 nan 8.230 nan 0.000 0.441 202 V N -1.698 118.184 119.914 -0.054 0.000 3.379 202 V HA 0.052 4.172 4.120 0.000 0.000 0.249 202 V C 0.904 176.960 176.094 -0.064 0.000 1.184 202 V CA 0.369 62.618 62.300 -0.084 0.000 1.106 202 V CB 0.094 31.822 31.823 -0.159 0.000 0.826 202 V HN 0.310 nan 8.190 nan 0.000 0.465 203 N N 1.354 120.040 118.700 -0.024 0.000 3.052 203 N HA 0.339 5.079 4.740 0.000 0.000 0.302 203 N C 0.086 175.644 175.510 0.079 0.000 1.332 203 N CA 0.434 53.485 53.050 0.001 0.000 1.129 203 N CB 0.142 38.651 38.487 0.037 0.000 1.436 203 N HN 0.481 nan 8.380 nan 0.000 0.536 204 G N -1.746 107.091 108.800 0.061 0.000 2.975 204 G HA2 0.287 4.247 3.960 0.000 0.000 0.291 204 G HA3 0.287 4.247 3.960 0.000 0.000 0.291 204 G C -0.038 174.907 174.900 0.075 0.000 1.334 204 G CA -0.431 44.722 45.100 0.088 0.000 0.843 204 G HN 0.173 nan 8.290 nan 0.000 0.548 205 T N -2.260 112.326 114.554 0.053 0.000 3.248 205 T HA 0.279 4.629 4.350 0.000 0.000 0.271 205 T C 1.514 176.220 174.700 0.011 0.000 1.005 205 T CA 0.625 62.748 62.100 0.039 0.000 0.902 205 T CB 0.414 69.302 68.868 0.033 0.000 1.102 205 T HN 0.207 nan 8.240 nan 0.000 0.548 206 S N 1.422 117.124 115.700 0.003 0.000 2.399 206 S HA 0.004 4.474 4.470 0.000 0.000 0.231 206 S C 2.414 177.006 174.600 -0.014 0.000 1.022 206 S CA 1.071 59.264 58.200 -0.012 0.000 0.983 206 S CB -0.452 62.737 63.200 -0.018 0.000 0.803 206 S HN 0.824 nan 8.310 nan 0.000 0.480 207 A N 2.601 125.417 122.820 -0.006 0.000 1.854 207 A HA -0.059 4.261 4.320 0.000 0.000 0.214 207 A C 2.237 179.824 177.584 0.004 0.000 1.192 207 A CA 1.587 53.620 52.037 -0.005 0.000 0.611 207 A CB -0.734 18.266 19.000 -0.001 0.000 0.832 207 A HN 0.652 nan 8.150 nan 0.000 0.442 208 M N -1.565 118.042 119.600 0.012 0.000 2.213 208 M HA -0.073 4.407 4.480 0.000 0.000 0.263 208 M C 1.790 178.097 176.300 0.011 0.000 1.062 208 M CA 2.241 57.553 55.300 0.019 0.000 1.105 208 M CB -1.269 31.345 32.600 0.023 0.000 1.385 208 M HN 0.147 nan 8.290 nan 0.000 0.417 209 T N 1.224 115.775 114.554 -0.004 0.000 2.777 209 T HA -0.001 4.349 4.350 0.000 0.000 0.266 209 T C 1.970 176.666 174.700 -0.006 0.000 1.040 209 T CA 1.698 63.786 62.100 -0.020 0.000 1.141 209 T CB -0.729 68.119 68.868 -0.033 0.000 0.868 209 T HN 0.719 nan 8.240 nan 0.000 0.444 210 G N 1.235 110.031 108.800 -0.007 0.000 2.402 210 G HA2 -0.115 3.845 3.960 0.000 0.000 0.216 210 G HA3 -0.115 3.845 3.960 0.000 0.000 0.216 210 G C 1.529 176.443 174.900 0.023 0.000 1.162 210 G CA 0.443 45.539 45.100 -0.006 0.000 0.777 210 G HN 0.485 nan 8.290 nan 0.000 0.539 211 I N 1.411 122.000 120.570 0.031 0.000 2.226 211 I HA -0.169 4.001 4.170 0.000 0.000 0.245 211 I C 3.260 179.431 176.117 0.089 0.000 1.100 211 I CA 1.003 62.336 61.300 0.056 0.000 1.374 211 I CB -0.174 37.856 38.000 0.050 0.000 1.057 211 I HN 0.239 nan 8.210 nan 0.000 0.413 212 A N 1.268 124.142 122.820 0.090 0.000 1.930 212 A HA -0.161 4.159 4.320 0.000 0.000 0.217 212 A C 2.246 179.939 177.584 0.181 0.000 1.175 212 A CA 1.720 53.849 52.037 0.154 0.000 0.627 212 A CB -0.781 18.274 19.000 0.092 0.000 0.815 212 A HN 0.517 nan 8.150 nan 0.000 0.443 213 L N -2.165 119.127 121.223 0.115 0.000 2.217 213 L HA 0.040 4.380 4.340 0.000 0.000 0.211 213 L C 1.932 178.918 176.870 0.192 0.000 1.107 213 L CA 1.440 56.360 54.840 0.133 0.000 0.783 213 L CB -0.963 41.142 42.059 0.077 0.000 0.919 213 L HN -0.004 nan 8.230 nan 0.000 0.442 214 V N 0.839 120.864 119.914 0.185 0.000 2.453 214 V HA -0.161 3.959 4.120 0.000 0.000 0.247 214 V C 2.454 178.669 176.094 0.201 0.000 1.048 214 V CA 1.672 64.118 62.300 0.242 0.000 1.049 214 V CB -0.913 31.017 31.823 0.178 0.000 0.672 214 V HN 0.509 nan 8.190 nan 0.000 0.457 215 N N 0.850 119.645 118.700 0.158 0.000 2.120 215 N HA -0.124 4.616 4.740 0.000 0.000 0.188 215 N C 1.926 177.487 175.510 0.086 0.000 1.024 215 N CA 1.705 54.825 53.050 0.116 0.000 0.852 215 N CB -0.536 38.007 38.487 0.093 0.000 1.003 215 N HN 0.473 nan 8.380 nan 0.000 0.424 216 A N 0.297 123.194 122.820 0.128 0.000 1.908 216 A HA -0.215 4.105 4.320 0.000 0.000 0.218 216 A C 2.117 179.719 177.584 0.030 0.000 1.181 216 A CA 1.890 53.982 52.037 0.091 0.000 0.627 216 A CB -0.945 18.171 19.000 0.195 0.000 0.818 216 A HN 0.461 nan 8.150 nan 0.000 0.445 217 H N -0.268 118.767 119.070 -0.059 0.000 2.321 217 H HA 0.064 4.620 4.556 0.000 0.000 0.300 217 H C 2.234 177.490 175.328 -0.121 0.000 1.087 217 H CA 1.949 57.874 56.048 -0.204 0.000 1.319 217 H CB -0.248 29.216 29.762 -0.496 0.000 1.379 217 H HN 0.395 nan 8.280 nan 0.000 0.501 218 A N -0.269 122.586 122.820 0.058 0.000 1.908 218 A HA -0.202 4.118 4.320 0.000 0.000 0.218 218 A C 2.709 180.284 177.584 -0.014 0.000 1.181 218 A CA 1.565 53.640 52.037 0.063 0.000 0.627 218 A CB -1.263 17.800 19.000 0.105 0.000 0.818 218 A HN 0.656 nan 8.150 nan 0.000 0.445 219 C N -1.324 117.981 119.300 0.009 0.000 2.422 219 C HA -0.044 4.416 4.460 0.000 0.000 0.279 219 C C 2.788 177.755 174.990 -0.039 0.000 1.305 219 C CA 1.152 60.212 59.018 0.070 0.000 1.757 219 C CB -1.353 26.457 27.740 0.118 0.000 1.962 219 C HN 0.732 nan 8.230 nan 0.000 0.499 220 R N -0.097 120.282 120.500 -0.201 0.000 2.073 220 R HA -0.130 4.210 4.340 0.000 0.000 0.234 220 R C 2.254 178.347 176.300 -0.345 0.000 1.134 220 R CA 1.551 57.449 56.100 -0.337 0.000 0.952 220 R CB -0.420 29.577 30.300 -0.505 0.000 0.850 220 R HN 0.610 nan 8.270 nan 0.000 0.433 221 H N 0.511 119.444 119.070 -0.229 0.000 2.357 221 H HA -0.083 4.473 4.556 0.000 0.000 0.301 221 H C 2.199 177.509 175.328 -0.031 0.000 1.082 221 H CA 1.599 57.564 56.048 -0.138 0.000 1.342 221 H CB -0.175 29.510 29.762 -0.128 0.000 1.389 221 H HN 0.248 nan 8.280 nan 0.000 0.511 222 L N -0.140 121.045 121.223 -0.063 0.000 2.131 222 L HA -0.082 4.258 4.340 0.000 0.000 0.210 222 L C 2.755 179.467 176.870 -0.263 0.000 1.092 222 L CA 1.030 55.646 54.840 -0.374 0.000 0.759 222 L CB -0.737 40.698 42.059 -1.040 0.000 0.903 222 L HN 0.296 nan 8.230 nan 0.000 0.435 223 G N -0.130 108.647 108.800 -0.038 0.000 2.422 223 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 223 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 223 G C 1.395 176.377 174.900 0.137 0.000 1.146 223 G CA 0.491 45.744 45.100 0.254 0.000 0.769 223 G HN 0.312 nan 8.290 nan 0.000 0.547 224 N N 0.056 118.733 118.700 -0.037 0.000 2.188 224 N HA -0.080 4.660 4.740 0.000 0.000 0.184 224 N C 1.814 177.235 175.510 -0.148 0.000 1.018 224 N CA 0.795 53.769 53.050 -0.128 0.000 0.858 224 N CB -0.317 38.036 38.487 -0.224 0.000 0.989 224 N HN 0.577 nan 8.380 nan 0.000 0.426 225 W N 1.584 122.839 121.300 -0.076 0.000 2.418 225 W HA 0.086 4.746 4.660 0.000 0.000 0.292 225 W C 2.474 178.974 176.519 -0.032 0.000 1.213 225 W CA 1.069 58.368 57.345 -0.077 0.000 1.283 225 W CB -0.401 28.968 29.460 -0.151 0.000 1.119 225 W HN 0.022 nan 8.180 nan 0.000 0.542 226 A N -0.149 122.801 122.820 0.217 0.000 1.908 226 A HA -0.180 4.141 4.320 0.000 0.000 0.218 226 A C 1.998 179.671 177.584 0.149 0.000 1.181 226 A CA 2.158 54.339 52.037 0.239 0.000 0.627 226 A CB -1.090 18.148 19.000 0.397 0.000 0.818 226 A HN 0.096 nan 8.150 nan 0.000 0.445 227 V N -0.355 119.629 119.914 0.118 0.000 2.307 227 V HA -0.197 3.923 4.120 0.000 0.000 0.245 227 V C 3.067 179.141 176.094 -0.034 0.000 1.045 227 V CA 1.883 64.192 62.300 0.016 0.000 1.024 227 V CB -1.173 30.664 31.823 0.023 0.000 0.651 227 V HN 0.610 nan 8.190 nan 0.000 0.449 228 A N -0.324 122.465 122.820 -0.052 0.000 1.933 228 A HA -0.142 4.178 4.320 0.000 0.000 0.218 228 A C 2.179 179.775 177.584 0.021 0.000 1.175 228 A CA 1.738 53.730 52.037 -0.074 0.000 0.628 228 A CB -0.494 18.368 19.000 -0.229 0.000 0.814 228 A HN 0.519 nan 8.150 nan 0.000 0.444 229 L N -1.212 120.066 121.223 0.093 0.000 2.179 229 L HA -0.087 4.253 4.340 0.000 0.000 0.208 229 L C 2.649 179.583 176.870 0.106 0.000 1.096 229 L CA 1.452 56.367 54.840 0.126 0.000 0.779 229 L CB -0.838 41.323 42.059 0.170 0.000 0.922 229 L HN 0.298 nan 8.230 nan 0.000 0.443 230 T N 0.189 114.797 114.554 0.090 0.000 2.821 230 T HA -0.131 4.219 4.350 0.000 0.000 0.267 230 T C 2.045 176.853 174.700 0.179 0.000 1.046 230 T CA 1.330 63.496 62.100 0.110 0.000 1.139 230 T CB -0.105 68.780 68.868 0.029 0.000 0.871 230 T HN 0.428 nan 8.240 nan 0.000 0.454 231 A N 1.145 124.030 122.820 0.107 0.000 1.898 231 A HA 0.014 4.334 4.320 0.000 0.000 0.216 231 A C 2.188 179.886 177.584 0.189 0.000 1.181 231 A CA 1.115 53.273 52.037 0.201 0.000 0.620 231 A CB -0.729 18.317 19.000 0.078 0.000 0.819 231 A HN 0.396 nan 8.150 nan 0.000 0.442 232 L N -0.826 120.468 121.223 0.118 0.000 2.141 232 L HA -0.042 4.298 4.340 0.000 0.000 0.209 232 L C 2.172 179.097 176.870 0.092 0.000 1.094 232 L CA 1.585 56.480 54.840 0.092 0.000 0.763 232 L CB -0.635 41.469 42.059 0.075 0.000 0.908 232 L HN 0.371 nan 8.230 nan 0.000 0.437 233 L N -0.234 121.055 121.223 0.110 0.000 2.083 233 L HA -0.096 4.244 4.340 0.000 0.000 0.209 233 L C 2.479 179.406 176.870 0.096 0.000 1.083 233 L CA 2.020 56.916 54.840 0.094 0.000 0.752 233 L CB -0.978 41.147 42.059 0.109 0.000 0.899 233 L HN 0.254 nan 8.230 nan 0.000 0.433 234 A N -0.838 122.072 122.820 0.150 0.000 1.933 234 A HA -0.205 4.115 4.320 0.000 0.000 0.218 234 A C 2.125 179.731 177.584 0.036 0.000 1.175 234 A CA 1.744 53.832 52.037 0.084 0.000 0.628 234 A CB -0.597 18.472 19.000 0.114 0.000 0.814 234 A HN 0.625 nan 8.150 nan 0.000 0.444 235 E N -1.121 119.115 120.200 0.061 0.000 2.347 235 E HA -0.117 4.233 4.350 0.000 0.000 0.196 235 E C 1.577 178.191 176.600 0.023 0.000 1.008 235 E CA 0.902 57.324 56.400 0.036 0.000 0.852 235 E CB -0.235 29.494 29.700 0.047 0.000 0.783 235 E HN 0.685 nan 8.360 nan 0.000 0.505 236 C N -0.108 119.208 119.300 0.026 0.000 2.674 236 C HA 0.180 4.640 4.460 0.000 0.000 0.276 236 C C 1.731 176.724 174.990 0.005 0.000 1.300 236 C CA -0.064 58.962 59.018 0.014 0.000 1.732 236 C CB -0.096 27.652 27.740 0.013 0.000 2.076 236 C HN 0.312 nan 8.230 nan 0.000 0.548 237 L N 0.022 121.249 121.223 0.006 0.000 3.066 237 L HA 0.287 4.627 4.340 0.000 0.000 0.265 237 L C 0.333 177.194 176.870 -0.015 0.000 1.232 237 L CA -0.044 54.794 54.840 -0.004 0.000 1.031 237 L CB -0.278 41.782 42.059 0.002 0.000 1.379 237 L HN 0.244 nan 8.230 nan 0.000 0.563 238 R N 0.558 121.047 120.500 -0.018 0.000 3.333 238 R HA -0.152 4.189 4.340 0.000 0.000 0.256 238 R C 0.699 176.962 176.300 -0.061 0.000 1.010 238 R CA 0.418 56.500 56.100 -0.031 0.000 0.680 238 R CB -1.929 28.360 30.300 -0.018 0.000 1.102 238 R HN 0.506 nan 8.270 nan 0.000 0.440 239 G N 0.666 109.414 108.800 -0.086 0.000 2.491 239 G HA2 0.182 4.142 3.960 0.000 0.000 0.238 239 G HA3 0.182 4.142 3.960 0.000 0.000 0.238 239 G C 0.024 174.773 174.900 -0.253 0.000 1.277 239 G CA -0.551 44.449 45.100 -0.166 0.000 0.851 239 G HN 0.237 nan 8.290 nan 0.000 0.573 240 R N 0.725 121.042 120.500 -0.305 0.000 2.202 240 R HA 0.230 4.570 4.340 0.000 0.000 0.334 240 R C 1.541 177.526 176.300 -0.525 0.000 1.036 240 R CA 0.164 56.079 56.100 -0.307 0.000 0.878 240 R CB 0.897 31.080 30.300 -0.194 0.000 1.067 240 R HN 0.706 nan 8.270 nan 0.000 0.457 241 T N -1.215 113.083 114.554 -0.425 0.000 3.035 241 T HA -0.138 4.212 4.350 0.000 0.000 0.268 241 T C 1.436 175.995 174.700 -0.234 0.000 1.109 241 T CA 0.915 62.761 62.100 -0.422 0.000 1.119 241 T CB -0.042 68.724 68.868 -0.170 0.000 0.900 241 T HN 0.741 nan 8.240 nan 0.000 0.503 242 E N 1.877 121.972 120.200 -0.175 0.000 2.204 242 E HA -0.043 4.307 4.350 0.000 0.000 0.195 242 E C 2.222 178.792 176.600 -0.051 0.000 0.990 242 E CA 0.936 57.291 56.400 -0.076 0.000 0.821 242 E CB -0.567 29.102 29.700 -0.050 0.000 0.750 242 E HN 0.611 nan 8.360 nan 0.000 0.477 243 A N 0.712 123.450 122.820 -0.136 0.000 2.121 243 A HA -0.085 4.235 4.320 0.000 0.000 0.218 243 A C 0.964 178.672 177.584 0.206 0.000 1.154 243 A CA 0.644 52.662 52.037 -0.031 0.000 0.679 243 A CB -0.594 18.341 19.000 -0.108 0.000 0.795 243 A HN 0.491 nan 8.150 nan 0.000 0.458 244 W N -0.375 120.923 121.300 -0.003 0.000 3.239 244 W HA 0.598 5.258 4.660 0.000 0.000 0.368 244 W C 0.789 177.308 176.519 0.000 0.000 1.154 244 W CA -1.072 56.273 57.345 -0.001 0.000 1.860 244 W CB -1.263 28.198 29.460 0.002 0.000 1.094 244 W HN 0.339 nan 8.180 nan 0.000 0.643 245 A N 0.821 123.750 122.820 0.182 0.000 2.498 245 A HA 0.444 4.764 4.320 0.000 0.000 0.239 245 A C 1.673 179.309 177.584 0.088 0.000 1.068 245 A CA 0.685 52.786 52.037 0.107 0.000 0.766 245 A CB 0.600 19.636 19.000 0.061 0.000 1.003 245 A HN 0.245 nan 8.150 nan 0.000 0.497 246 A N 2.573 125.433 122.820 0.067 0.000 1.940 246 A HA 0.102 4.422 4.320 0.000 0.000 0.219 246 A C 2.382 179.988 177.584 0.037 0.000 1.176 246 A CA 2.303 54.369 52.037 0.048 0.000 0.631 246 A CB -1.006 18.016 19.000 0.037 0.000 0.814 246 A HN 1.782 nan 8.150 nan 0.000 0.446 247 A N -0.227 122.613 122.820 0.033 0.000 1.948 247 A HA -0.133 4.187 4.320 0.000 0.000 0.220 247 A C 2.164 179.762 177.584 0.023 0.000 1.177 247 A CA 1.650 53.701 52.037 0.023 0.000 0.636 247 A CB -0.589 18.422 19.000 0.020 0.000 0.815 247 A HN 0.505 nan 8.150 nan 0.000 0.449 248 L N -0.679 120.564 121.223 0.033 0.000 2.056 248 L HA -0.151 4.189 4.340 0.000 0.000 0.207 248 L C 2.879 179.766 176.870 0.028 0.000 1.078 248 L CA 1.428 56.287 54.840 0.032 0.000 0.749 248 L CB -0.423 41.665 42.059 0.047 0.000 0.901 248 L HN 0.347 nan 8.230 nan 0.000 0.433 249 S N -0.271 115.451 115.700 0.035 0.000 2.368 249 S HA -0.192 4.278 4.470 0.000 0.000 0.225 249 S C 1.502 176.110 174.600 0.013 0.000 1.030 249 S CA 1.420 59.638 58.200 0.030 0.000 0.999 249 S CB -0.326 62.894 63.200 0.035 0.000 0.844 249 S HN 0.447 nan 8.310 nan 0.000 0.459 250 D N 1.441 121.847 120.400 0.010 0.000 2.178 250 D HA -0.038 4.602 4.640 0.000 0.000 0.201 250 D C 1.689 177.980 176.300 -0.014 0.000 0.980 250 D CA 0.715 54.714 54.000 -0.002 0.000 0.842 250 D CB -0.286 40.515 40.800 0.002 0.000 0.948 250 D HN 0.343 nan 8.370 nan 0.000 0.472 251 L N -0.606 120.612 121.223 -0.009 0.000 2.313 251 L HA 0.034 4.374 4.340 0.000 0.000 0.214 251 L C 1.520 178.369 176.870 -0.034 0.000 1.119 251 L CA 0.461 55.291 54.840 -0.017 0.000 0.809 251 L CB 0.146 42.201 42.059 -0.007 0.000 0.933 251 L HN -0.177 nan 8.230 nan 0.000 0.449 252 R N 0.699 121.178 120.500 -0.035 0.000 2.644 252 R HA 0.187 4.527 4.340 0.000 0.000 0.271 252 R C -2.126 174.117 176.300 -0.096 0.000 1.687 252 R CA -1.310 54.748 56.100 -0.071 0.000 1.655 252 R CB 0.843 31.141 30.300 -0.004 0.000 1.285 252 R HN -0.156 nan 8.270 nan 0.000 0.643 253 P HA -0.127 nan 4.420 nan 0.000 0.316 253 P C -0.651 176.590 177.300 -0.098 0.000 1.508 253 P CA 0.402 63.445 63.100 -0.096 0.000 0.741 253 P CB -0.329 31.320 31.700 -0.085 0.000 1.593 254 H N 0.745 119.814 119.070 -0.000 0.000 2.899 254 H HA 0.068 4.625 4.556 0.000 0.000 0.303 254 H C -1.236 174.103 175.328 0.018 0.000 1.042 254 H CA -1.385 54.666 56.048 0.004 0.000 1.479 254 H CB 0.394 30.153 29.762 -0.006 0.000 1.493 254 H HN 0.078 nan 8.280 nan 0.000 0.534 255 P HA -0.180 nan 4.420 nan 0.000 0.216 255 P C 1.650 179.022 177.300 0.121 0.000 1.157 255 P CA 1.809 64.970 63.100 0.103 0.000 0.880 255 P CB 0.098 31.853 31.700 0.092 0.000 0.791 256 G N -0.556 108.333 108.800 0.149 0.000 2.422 256 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 256 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 256 G C 1.671 176.659 174.900 0.146 0.000 1.146 256 G CA 0.693 45.910 45.100 0.194 0.000 0.769 256 G HN 0.330 nan 8.290 nan 0.000 0.547 257 Q N 0.115 119.969 119.800 0.090 0.000 2.079 257 Q HA -0.061 4.279 4.340 0.000 0.000 0.200 257 Q C 2.456 178.485 176.000 0.048 0.000 0.974 257 Q CA 1.503 57.331 55.803 0.041 0.000 0.840 257 Q CB -0.182 28.598 28.738 0.069 0.000 0.898 257 Q HN 0.520 nan 8.270 nan 0.000 0.430 258 K N 0.145 120.586 120.400 0.068 0.000 2.057 258 K HA -0.218 4.102 4.320 0.000 0.000 0.207 258 K C 1.662 178.291 176.600 0.048 0.000 1.049 258 K CA 1.823 58.139 56.287 0.049 0.000 0.931 258 K CB -0.138 32.389 32.500 0.045 0.000 0.714 258 K HN 0.174 nan 8.250 nan 0.000 0.440 259 D N 0.004 120.449 120.400 0.076 0.000 2.097 259 D HA -0.099 4.541 4.640 0.000 0.000 0.197 259 D C 1.725 178.081 176.300 0.093 0.000 0.984 259 D CA 1.553 55.600 54.000 0.078 0.000 0.826 259 D CB -0.090 40.769 40.800 0.099 0.000 0.973 259 D HN 0.317 nan 8.370 nan 0.000 0.460 260 A N 0.584 123.495 122.820 0.151 0.000 1.877 260 A HA 0.005 4.325 4.320 0.000 0.000 0.216 260 A C 2.398 179.931 177.584 -0.085 0.000 1.186 260 A CA 2.438 54.533 52.037 0.097 0.000 0.620 260 A CB -1.164 17.805 19.000 -0.051 0.000 0.822 260 A HN 0.327 nan 8.150 nan 0.000 0.443 261 A N -0.198 122.570 122.820 -0.085 0.000 1.902 261 A HA 0.149 4.469 4.320 0.000 0.000 0.217 261 A C 2.518 180.064 177.584 -0.063 0.000 1.181 261 A CA 2.182 54.151 52.037 -0.113 0.000 0.623 261 A CB -1.047 17.949 19.000 -0.007 0.000 0.818 261 A HN 1.089 nan 8.150 nan 0.000 0.443 262 A N -0.224 122.585 122.820 -0.018 0.000 1.902 262 A HA -0.167 4.153 4.320 0.000 0.000 0.217 262 A C 2.238 179.807 177.584 -0.025 0.000 1.181 262 A CA 1.649 53.684 52.037 -0.003 0.000 0.623 262 A CB -0.435 18.568 19.000 0.005 0.000 0.818 262 A HN 0.549 nan 8.150 nan 0.000 0.443 263 R N -0.649 119.824 120.500 -0.044 0.000 2.092 263 R HA 0.040 4.380 4.340 0.000 0.000 0.231 263 R C 2.027 178.265 176.300 -0.103 0.000 1.119 263 R CA 1.222 57.286 56.100 -0.060 0.000 0.970 263 R CB -0.438 29.836 30.300 -0.043 0.000 0.864 263 R HN 0.501 nan 8.270 nan 0.000 0.440 264 L N 0.186 121.287 121.223 -0.203 0.000 2.017 264 L HA -0.167 4.173 4.340 0.000 0.000 0.208 264 L C 2.543 179.366 176.870 -0.078 0.000 1.073 264 L CA 1.432 56.053 54.840 -0.365 0.000 0.745 264 L CB -0.331 41.111 42.059 -1.027 0.000 0.894 264 L HN 0.144 nan 8.230 nan 0.000 0.432 265 R N -0.159 120.361 120.500 0.033 0.000 2.091 265 R HA -0.164 4.176 4.340 0.000 0.000 0.238 265 R C 2.394 178.744 176.300 0.082 0.000 1.136 265 R CA 1.392 57.581 56.100 0.148 0.000 0.959 265 R CB -0.560 29.813 30.300 0.122 0.000 0.856 265 R HN 0.370 nan 8.270 nan 0.000 0.437 266 A N 1.331 124.167 122.820 0.027 0.000 1.902 266 A HA -0.153 4.167 4.320 0.000 0.000 0.217 266 A C 2.059 179.649 177.584 0.010 0.000 1.181 266 A CA 1.115 53.158 52.037 0.011 0.000 0.623 266 A CB -0.279 18.713 19.000 -0.014 0.000 0.818 266 A HN 0.106 nan 8.150 nan 0.000 0.443 267 R N -0.210 120.290 120.500 0.001 0.000 2.091 267 R HA -0.118 4.222 4.340 0.000 0.000 0.238 267 R C 1.920 178.246 176.300 0.044 0.000 1.136 267 R CA 1.764 57.865 56.100 0.002 0.000 0.959 267 R CB -1.358 28.931 30.300 -0.018 0.000 0.856 267 R HN 0.677 nan 8.270 nan 0.000 0.437 268 V N -0.772 119.200 119.914 0.096 0.000 3.633 268 V HA 0.111 4.231 4.120 0.000 0.000 0.283 268 V C 0.181 176.316 176.094 0.068 0.000 1.305 268 V CA -0.590 61.774 62.300 0.106 0.000 1.153 268 V CB -0.554 31.378 31.823 0.183 0.000 0.950 268 V HN -0.083 nan 8.190 nan 0.000 0.432 269 D N 1.473 121.903 120.400 0.051 0.000 2.458 269 D HA 0.412 5.052 4.640 0.000 0.000 0.243 269 D C 1.455 177.767 176.300 0.021 0.000 1.146 269 D CA 1.921 55.941 54.000 0.032 0.000 0.877 269 D CB 0.557 41.371 40.800 0.023 0.000 1.176 269 D HN 0.566 nan 8.370 nan 0.000 0.461 270 G N 2.387 111.195 108.800 0.013 0.000 2.176 270 G HA2 -0.265 3.695 3.960 0.000 0.000 0.253 270 G HA3 -0.265 3.695 3.960 0.000 0.000 0.253 270 G C 0.484 175.389 174.900 0.007 0.000 0.979 270 G CA 0.344 45.449 45.100 0.008 0.000 0.641 270 G HN 0.788 nan 8.290 nan 0.000 0.530 271 S N 0.109 115.816 115.700 0.011 0.000 2.565 271 S HA 0.654 5.125 4.470 0.000 0.000 0.276 271 S C 1.271 175.868 174.600 -0.005 0.000 1.326 271 S CA 0.820 59.026 58.200 0.009 0.000 1.045 271 S CB 1.301 64.513 63.200 0.020 0.000 0.918 271 S HN 1.609 nan 8.310 nan 0.000 0.505 272 A N 5.008 127.826 122.820 -0.004 0.000 2.431 272 A HA 0.331 4.651 4.320 0.000 0.000 0.239 272 A C 1.779 179.357 177.584 -0.010 0.000 1.230 272 A CA -0.347 51.684 52.037 -0.011 0.000 0.928 272 A CB 0.089 19.088 19.000 -0.003 0.000 1.006 272 A HN 0.718 nan 8.150 nan 0.000 0.520 273 R N -0.068 120.428 120.500 -0.007 0.000 2.223 273 R HA 0.091 4.431 4.340 0.000 0.000 0.198 273 R C 0.886 177.175 176.300 -0.020 0.000 0.984 273 R CA 1.025 57.121 56.100 -0.006 0.000 1.018 273 R CB -0.548 29.755 30.300 0.004 0.000 0.945 273 R HN 0.499 nan 8.270 nan 0.000 0.479 274 V N -0.983 118.911 119.914 -0.034 0.000 3.036 274 V HA 0.388 4.508 4.120 0.000 0.000 0.308 274 V C 0.564 176.604 176.094 -0.090 0.000 1.070 274 V CA -0.917 61.342 62.300 -0.069 0.000 1.056 274 V CB 1.732 33.504 31.823 -0.085 0.000 1.084 274 V HN -0.252 nan 8.190 nan 0.000 0.471 275 V N 3.753 123.601 119.914 -0.111 0.000 2.383 275 V HA 0.453 4.573 4.120 0.000 0.000 0.275 275 V C 1.024 177.002 176.094 -0.193 0.000 1.036 275 V CA -0.286 61.948 62.300 -0.110 0.000 0.889 275 V CB 0.788 32.600 31.823 -0.018 0.000 0.985 275 V HN 0.930 nan 8.190 nan 0.000 0.459 276 R N 1.552 121.840 120.500 -0.352 0.000 2.397 276 R HA 0.203 4.543 4.340 0.000 0.000 0.241 276 R C -0.288 175.843 176.300 -0.282 0.000 0.914 276 R CA -0.214 55.708 56.100 -0.296 0.000 1.071 276 R CB 0.234 30.380 30.300 -0.257 0.000 1.116 276 R HN 0.795 nan 8.270 nan 0.000 0.524 277 H N -0.121 118.925 119.070 -0.041 0.000 2.683 277 H HA 0.134 4.690 4.556 0.000 0.000 0.339 277 H C -0.078 175.229 175.328 -0.036 0.000 1.081 277 H CA -0.445 55.583 56.048 -0.032 0.000 1.432 277 H CB 1.010 30.756 29.762 -0.028 0.000 1.462 277 H HN -0.229 nan 8.280 nan 0.000 0.557 278 V N 5.217 125.182 119.914 0.085 0.000 2.508 278 V HA -0.058 4.062 4.120 0.000 0.000 0.281 278 V C 1.814 177.937 176.094 0.048 0.000 1.041 278 V CA 0.137 62.461 62.300 0.039 0.000 1.016 278 V CB 0.123 31.960 31.823 0.024 0.000 0.984 278 V HN 0.843 nan 8.190 nan 0.000 0.478 279 I N 3.226 123.812 120.570 0.027 0.000 2.394 279 I HA -0.050 4.120 4.170 0.000 0.000 0.251 279 I C 2.128 178.248 176.117 0.005 0.000 1.136 279 I CA 1.727 63.035 61.300 0.013 0.000 1.425 279 I CB -0.357 37.644 38.000 0.002 0.000 1.079 279 I HN 0.580 nan 8.210 nan 0.000 0.425 280 A N 1.241 124.064 122.820 0.007 0.000 2.125 280 A HA -0.139 4.181 4.320 0.000 0.000 0.219 280 A C 2.168 179.755 177.584 0.004 0.000 1.156 280 A CA 1.353 53.392 52.037 0.004 0.000 0.671 280 A CB -0.546 18.457 19.000 0.005 0.000 0.794 280 A HN 0.529 nan 8.150 nan 0.000 0.459 281 E N -0.043 120.162 120.200 0.008 0.000 2.204 281 E HA -0.123 4.227 4.350 0.000 0.000 0.194 281 E C 1.185 177.784 176.600 -0.002 0.000 0.989 281 E CA 0.217 56.621 56.400 0.007 0.000 0.824 281 E CB -0.248 29.462 29.700 0.018 0.000 0.756 281 E HN 0.640 nan 8.360 nan 0.000 0.477 282 R N 1.906 122.400 120.500 -0.009 0.000 2.421 282 R HA 0.048 4.388 4.340 0.000 0.000 0.305 282 R C -0.375 175.917 176.300 -0.015 0.000 1.039 282 R CA 0.049 56.137 56.100 -0.020 0.000 1.003 282 R CB 0.348 30.629 30.300 -0.033 0.000 0.959 282 R HN -0.117 nan 8.270 nan 0.000 0.427 283 R N 5.147 125.638 120.500 -0.014 0.000 2.265 283 R HA 0.276 4.616 4.340 0.000 0.000 0.319 283 R C -0.356 175.936 176.300 -0.014 0.000 1.006 283 R CA -0.532 55.561 56.100 -0.011 0.000 0.880 283 R CB 1.079 31.374 30.300 -0.009 0.000 1.077 283 R HN 0.486 nan 8.270 nan 0.000 0.454 284 L N 2.835 124.051 121.223 -0.012 0.000 2.379 284 L HA 0.344 4.684 4.340 0.000 0.000 0.269 284 L C 0.142 177.005 176.870 -0.010 0.000 1.084 284 L CA -0.520 54.312 54.840 -0.013 0.000 0.802 284 L CB 0.933 42.985 42.059 -0.011 0.000 1.175 284 L HN 0.692 nan 8.230 nan 0.000 0.448 285 D N 0.751 121.145 120.400 -0.011 0.000 2.566 285 D HA 0.417 5.057 4.640 0.000 0.000 0.254 285 D C 0.499 176.794 176.300 -0.009 0.000 1.090 285 D CA -0.305 53.690 54.000 -0.009 0.000 1.034 285 D CB 1.348 42.142 40.800 -0.009 0.000 1.434 285 D HN 0.433 nan 8.370 nan 0.000 0.509 286 A N 0.356 123.172 122.820 -0.007 0.000 1.915 286 A HA -0.082 4.238 4.320 0.000 0.000 0.220 286 A C 2.054 179.633 177.584 -0.008 0.000 1.198 286 A CA 2.665 54.697 52.037 -0.007 0.000 0.647 286 A CB -1.758 17.239 19.000 -0.006 0.000 0.825 286 A HN 0.772 nan 8.150 nan 0.000 0.456 287 G N -1.177 107.618 108.800 -0.009 0.000 2.498 287 G HA2 -0.151 3.809 3.960 0.000 0.000 0.219 287 G HA3 -0.151 3.809 3.960 0.000 0.000 0.219 287 G C 0.983 175.877 174.900 -0.011 0.000 1.119 287 G CA 1.103 46.198 45.100 -0.009 0.000 0.766 287 G HN 0.554 nan 8.290 nan 0.000 0.552 288 D N 0.137 120.530 120.400 -0.012 0.000 2.305 288 D HA 0.027 4.667 4.640 0.000 0.000 0.206 288 D C 0.977 177.270 176.300 -0.012 0.000 0.974 288 D CA -0.072 53.920 54.000 -0.013 0.000 0.871 288 D CB 0.414 41.205 40.800 -0.015 0.000 0.947 288 D HN 0.130 nan 8.370 nan 0.000 0.516 289 I N 1.721 122.285 120.570 -0.010 0.000 2.581 289 I HA 0.266 4.436 4.170 0.000 0.000 0.285 289 I C 1.302 177.414 176.117 -0.008 0.000 1.129 289 I CA 0.776 62.071 61.300 -0.009 0.000 1.397 289 I CB -0.027 37.969 38.000 -0.007 0.000 1.399 289 I HN -0.037 nan 8.210 nan 0.000 0.537 290 G N 5.401 114.196 108.800 -0.009 0.000 2.335 290 G HA2 0.212 4.172 3.960 0.000 0.000 0.291 290 G HA3 0.212 4.172 3.960 0.000 0.000 0.291 290 G C -1.200 173.695 174.900 -0.009 0.000 1.261 290 G CA -0.596 44.498 45.100 -0.008 0.000 0.871 290 G HN 0.341 nan 8.290 nan 0.000 0.491 291 T N 1.965 116.514 114.554 -0.009 0.000 2.749 291 T HA 0.547 4.897 4.350 0.000 0.000 0.287 291 T C -0.204 174.489 174.700 -0.011 0.000 0.970 291 T CA -0.250 61.844 62.100 -0.009 0.000 0.980 291 T CB 1.258 70.121 68.868 -0.008 0.000 0.924 291 T HN 0.417 nan 8.240 nan 0.000 0.456 292 E N 3.248 123.441 120.200 -0.012 0.000 2.283 292 E HA 0.204 4.554 4.350 0.000 0.000 0.267 292 E C -1.345 175.247 176.600 -0.013 0.000 1.045 292 E CA -1.991 54.401 56.400 -0.014 0.000 0.884 292 E CB 0.755 30.446 29.700 -0.016 0.000 1.106 292 E HN 0.332 nan 8.360 nan 0.000 0.408 293 P HA -0.150 nan 4.420 nan 0.000 0.215 293 P C -0.513 176.779 177.300 -0.013 0.000 1.157 293 P CA 1.476 64.569 63.100 -0.013 0.000 0.874 293 P CB 0.306 31.998 31.700 -0.013 0.000 0.790 294 E N -1.660 118.532 120.200 -0.014 0.000 2.393 294 E HA 0.604 4.954 4.350 0.000 0.000 0.273 294 E C -0.961 175.632 176.600 -0.012 0.000 0.918 294 E CA -1.198 55.194 56.400 -0.013 0.000 0.773 294 E CB 1.916 31.608 29.700 -0.013 0.000 1.275 294 E HN -0.091 nan 8.360 nan 0.000 0.451 295 A N 0.563 123.376 122.820 -0.010 0.000 2.406 295 A HA 0.388 4.708 4.320 0.000 0.000 0.243 295 A C 1.166 178.746 177.584 -0.007 0.000 1.082 295 A CA 0.409 52.442 52.037 -0.007 0.000 0.786 295 A CB 0.009 19.007 19.000 -0.004 0.000 1.029 295 A HN 0.788 nan 8.150 nan 0.000 0.495 296 G N -0.409 108.388 108.800 -0.005 0.000 2.848 296 G HA2 0.291 4.251 3.960 0.000 0.000 0.208 296 G HA3 0.291 4.251 3.960 0.000 0.000 0.208 296 G C 0.441 175.337 174.900 -0.007 0.000 1.152 296 G CA 0.327 45.423 45.100 -0.007 0.000 0.789 296 G HN 0.720 nan 8.290 nan 0.000 0.531 297 Q N -0.009 119.791 119.800 -0.000 0.000 2.421 297 Q HA 0.298 4.638 4.340 0.000 0.000 0.280 297 Q C -1.453 174.553 176.000 0.010 0.000 1.085 297 Q CA -1.022 54.783 55.803 0.003 0.000 0.807 297 Q CB 2.064 30.819 28.738 0.029 0.000 1.405 297 Q HN 0.028 nan 8.270 nan 0.000 0.419 298 D N 0.628 121.031 120.400 0.005 0.000 2.383 298 D HA 0.385 5.025 4.640 0.000 0.000 0.248 298 D C -0.185 176.163 176.300 0.082 0.000 1.170 298 D CA -0.078 53.933 54.000 0.019 0.000 0.977 298 D CB 0.900 41.695 40.800 -0.008 0.000 1.120 298 D HN 0.620 nan 8.370 nan 0.000 0.481 299 A N 0.412 123.276 122.820 0.073 0.000 2.366 299 A HA 0.018 4.338 4.320 0.000 0.000 0.250 299 A C 0.653 178.383 177.584 0.243 0.000 1.099 299 A CA -0.083 52.012 52.037 0.095 0.000 0.794 299 A CB -0.083 18.934 19.000 0.028 0.000 1.056 299 A HN 0.543 nan 8.150 nan 0.000 0.499 300 Y N 0.814 121.128 120.300 0.023 0.000 2.256 300 Y HA -0.199 4.351 4.550 0.000 0.000 0.288 300 Y C 2.943 178.874 175.900 0.051 0.000 1.155 300 Y CA 1.635 59.755 58.100 0.034 0.000 1.203 300 Y CB -1.261 37.211 38.460 0.020 0.000 0.980 300 Y HN 0.731 nan 8.280 nan 0.000 0.530 301 S N -1.021 114.806 115.700 0.211 0.000 2.500 301 S HA -0.111 4.359 4.470 0.000 0.000 0.239 301 S C 1.781 176.482 174.600 0.169 0.000 0.989 301 S CA 1.143 59.433 58.200 0.150 0.000 0.951 301 S CB -0.560 62.705 63.200 0.108 0.000 0.759 301 S HN 0.456 nan 8.310 nan 0.000 0.523 302 L N -0.382 120.957 121.223 0.193 0.000 2.588 302 L HA 0.363 4.703 4.340 0.000 0.000 0.194 302 L C 2.744 179.814 176.870 0.333 0.000 1.070 302 L CA 0.186 55.185 54.840 0.266 0.000 0.852 302 L CB -0.238 41.911 42.059 0.151 0.000 1.199 302 L HN 0.151 nan 8.230 nan 0.000 0.486 303 R N 0.007 120.622 120.500 0.191 0.000 2.096 303 R HA -0.137 4.203 4.340 0.000 0.000 0.235 303 R C 1.506 177.897 176.300 0.152 0.000 1.127 303 R CA 1.781 57.969 56.100 0.146 0.000 0.968 303 R CB -0.194 30.157 30.300 0.085 0.000 0.861 303 R HN 0.392 nan 8.270 nan 0.000 0.440 304 C N 0.309 119.653 119.300 0.074 0.000 2.688 304 C HA 0.435 4.895 4.460 0.000 0.000 0.297 304 C C 2.037 177.031 174.990 0.006 0.000 1.308 304 C CA -0.405 58.596 59.018 -0.028 0.000 1.726 304 C CB -0.503 27.114 27.740 -0.205 0.000 1.982 304 C HN 0.608 nan 8.230 nan 0.000 0.604 305 A N 2.629 125.503 122.820 0.091 0.000 1.902 305 A HA -0.078 4.243 4.320 0.000 0.000 0.217 305 A C 0.025 177.526 177.584 -0.139 0.000 1.181 305 A CA 1.702 53.730 52.037 -0.014 0.000 0.623 305 A CB -1.491 17.514 19.000 0.008 0.000 0.818 305 A HN 0.418 nan 8.150 nan 0.000 0.443 306 P HA -0.143 nan 4.420 nan 0.000 0.216 306 P C 1.253 178.471 177.300 -0.137 0.000 1.150 306 P CA 1.431 64.436 63.100 -0.158 0.000 0.837 306 P CB -0.026 31.630 31.700 -0.074 0.000 0.786 307 Q N -0.957 118.784 119.800 -0.099 0.000 2.083 307 Q HA -0.072 4.268 4.340 0.000 0.000 0.198 307 Q C 2.141 178.047 176.000 -0.157 0.000 0.969 307 Q CA 1.233 56.972 55.803 -0.107 0.000 0.838 307 Q CB -1.365 27.320 28.738 -0.089 0.000 0.900 307 Q HN 0.083 nan 8.270 nan 0.000 0.436 308 V N 0.389 120.208 119.914 -0.157 0.000 2.283 308 V HA -0.204 3.916 4.120 0.000 0.000 0.243 308 V C 2.113 178.046 176.094 -0.268 0.000 1.039 308 V CA 1.455 63.651 62.300 -0.173 0.000 1.016 308 V CB -0.625 31.124 31.823 -0.122 0.000 0.650 308 V HN 0.302 nan 8.190 nan 0.000 0.449 309 L N 0.634 121.649 121.223 -0.347 0.000 2.042 309 L HA -0.113 4.227 4.340 0.000 0.000 0.210 309 L C 2.662 178.976 176.870 -0.926 0.000 1.076 309 L CA 1.821 56.264 54.840 -0.662 0.000 0.749 309 L CB -1.209 40.449 42.059 -0.669 0.000 0.893 309 L HN 0.493 nan 8.230 nan 0.000 0.432 310 G N -0.495 107.985 108.800 -0.534 0.000 2.422 310 G HA2 -0.232 3.729 3.960 0.000 0.000 0.218 310 G HA3 -0.232 3.729 3.960 0.000 0.000 0.218 310 G C 1.755 176.543 174.900 -0.187 0.000 1.146 310 G CA 0.814 45.736 45.100 -0.297 0.000 0.769 310 G HN 0.478 nan 8.290 nan 0.000 0.547 311 A N 0.786 123.473 122.820 -0.222 0.000 1.930 311 A HA 0.220 4.540 4.320 0.000 0.000 0.217 311 A C 2.682 180.202 177.584 -0.106 0.000 1.175 311 A CA 1.927 53.859 52.037 -0.175 0.000 0.627 311 A CB -0.905 17.983 19.000 -0.187 0.000 0.815 311 A HN 0.476 nan 8.150 nan 0.000 0.443 312 G N -1.034 107.672 108.800 -0.157 0.000 2.402 312 G HA2 -0.110 3.850 3.960 0.000 0.000 0.216 312 G HA3 -0.110 3.850 3.960 0.000 0.000 0.216 312 G C 1.290 176.288 174.900 0.164 0.000 1.162 312 G CA 1.016 46.081 45.100 -0.058 0.000 0.777 312 G HN 0.369 nan 8.290 nan 0.000 0.539 313 F N 1.728 121.680 119.950 0.004 0.000 2.171 313 F HA 0.031 4.558 4.527 0.000 0.000 0.300 313 F C 2.299 178.122 175.800 0.038 0.000 1.090 313 F CA 0.431 58.445 58.000 0.023 0.000 1.293 313 F CB -0.645 38.361 39.000 0.011 0.000 1.013 313 F HN 0.121 nan 8.300 nan 0.000 0.486 314 D N -0.644 119.884 120.400 0.213 0.000 2.224 314 D HA -0.093 4.547 4.640 0.000 0.000 0.205 314 D C 2.201 178.609 176.300 0.180 0.000 0.965 314 D CA 1.306 55.398 54.000 0.153 0.000 0.852 314 D CB -0.342 40.499 40.800 0.069 0.000 0.947 314 D HN 0.200 nan 8.370 nan 0.000 0.494 315 T N 1.179 115.831 114.554 0.163 0.000 2.777 315 T HA -0.112 4.238 4.350 0.000 0.000 0.266 315 T C 1.896 176.761 174.700 0.275 0.000 1.040 315 T CA 0.368 62.602 62.100 0.224 0.000 1.141 315 T CB -0.187 68.766 68.868 0.143 0.000 0.868 315 T HN 0.041 nan 8.240 nan 0.000 0.444 316 L N 1.523 122.867 121.223 0.202 0.000 2.083 316 L HA 0.115 4.455 4.340 0.000 0.000 0.209 316 L C 2.563 179.550 176.870 0.194 0.000 1.083 316 L CA 1.678 56.612 54.840 0.157 0.000 0.752 316 L CB -1.024 41.107 42.059 0.120 0.000 0.899 316 L HN 0.214 nan 8.230 nan 0.000 0.433 317 A N -1.144 121.793 122.820 0.195 0.000 1.908 317 A HA -0.284 4.036 4.320 0.000 0.000 0.218 317 A C 2.129 179.853 177.584 0.234 0.000 1.181 317 A CA 1.819 53.961 52.037 0.176 0.000 0.627 317 A CB -1.447 17.649 19.000 0.161 0.000 0.818 317 A HN 0.730 nan 8.150 nan 0.000 0.445 318 W N 0.329 121.687 121.300 0.097 0.000 2.355 318 W HA -0.184 4.476 4.660 0.000 0.000 0.309 318 W C 2.286 178.873 176.519 0.112 0.000 1.206 318 W CA 1.932 59.330 57.345 0.089 0.000 1.284 318 W CB -0.819 28.688 29.460 0.078 0.000 1.145 318 W HN 0.628 nan 8.180 nan 0.000 0.502 319 H N 0.156 119.181 119.070 -0.075 0.000 2.319 319 H HA -0.184 4.372 4.556 0.000 0.000 0.297 319 H C 1.378 176.597 175.328 -0.181 0.000 1.097 319 H CA 2.466 58.365 56.048 -0.248 0.000 1.285 319 H CB -0.521 29.203 29.762 -0.064 0.000 1.368 319 H HN 0.072 nan 8.280 nan 0.000 0.495 320 D N 0.141 120.591 120.400 0.083 0.000 2.178 320 D HA -0.065 4.576 4.640 0.000 0.000 0.202 320 D C 2.604 178.874 176.300 -0.050 0.000 0.974 320 D CA 0.545 54.563 54.000 0.029 0.000 0.841 320 D CB -0.216 40.641 40.800 0.095 0.000 0.953 320 D HN 0.380 nan 8.370 nan 0.000 0.478 321 R N 0.280 120.759 120.500 -0.035 0.000 2.073 321 R HA -0.058 4.282 4.340 0.000 0.000 0.234 321 R C 2.291 178.531 176.300 -0.100 0.000 1.134 321 R CA 0.771 56.858 56.100 -0.022 0.000 0.952 321 R CB -0.432 29.902 30.300 0.057 0.000 0.850 321 R HN 0.107 nan 8.270 nan 0.000 0.433 322 V N 1.347 121.119 119.914 -0.236 0.000 2.358 322 V HA -0.211 3.909 4.120 0.000 0.000 0.246 322 V C 2.204 178.147 176.094 -0.252 0.000 1.047 322 V CA 1.330 63.465 62.300 -0.276 0.000 1.035 322 V CB -0.415 31.123 31.823 -0.475 0.000 0.658 322 V HN 0.225 nan 8.190 nan 0.000 0.452 323 L N 0.066 121.106 121.223 -0.304 0.000 2.083 323 L HA -0.135 4.205 4.340 0.000 0.000 0.209 323 L C 2.451 179.234 176.870 -0.145 0.000 1.083 323 L CA 2.338 57.025 54.840 -0.255 0.000 0.752 323 L CB -0.955 40.915 42.059 -0.314 0.000 0.899 323 L HN 0.340 nan 8.230 nan 0.000 0.433 324 T N -0.148 114.346 114.554 -0.100 0.000 2.746 324 T HA -0.167 4.183 4.350 0.000 0.000 0.267 324 T C 1.974 176.652 174.700 -0.037 0.000 1.039 324 T CA 1.989 64.062 62.100 -0.045 0.000 1.142 324 T CB -0.303 68.582 68.868 0.029 0.000 0.866 324 T HN 0.316 nan 8.240 nan 0.000 0.444 325 I N 0.669 121.205 120.570 -0.056 0.000 2.179 325 I HA -0.148 4.022 4.170 0.000 0.000 0.242 325 I C 2.743 178.803 176.117 -0.095 0.000 1.088 325 I CA 1.284 62.546 61.300 -0.062 0.000 1.357 325 I CB -0.302 37.637 38.000 -0.101 0.000 1.051 325 I HN 0.205 nan 8.210 nan 0.000 0.409 326 E N 1.275 121.397 120.200 -0.129 0.000 2.051 326 E HA -0.256 4.094 4.350 0.000 0.000 0.192 326 E C 2.026 178.572 176.600 -0.089 0.000 0.991 326 E CA 1.273 57.600 56.400 -0.122 0.000 0.799 326 E CB -0.286 29.336 29.700 -0.130 0.000 0.748 326 E HN 0.290 nan 8.360 nan 0.000 0.449 327 L N 1.011 122.180 121.223 -0.090 0.000 2.042 327 L HA -0.111 4.229 4.340 0.000 0.000 0.210 327 L C 1.140 177.961 176.870 -0.083 0.000 1.076 327 L CA 1.832 56.621 54.840 -0.085 0.000 0.749 327 L CB -0.417 41.583 42.059 -0.099 0.000 0.893 327 L HN 0.157 nan 8.230 nan 0.000 0.432 328 N N -0.124 118.528 118.700 -0.080 0.000 2.268 328 N HA 0.211 4.951 4.740 0.000 0.000 0.204 328 N C 0.178 175.672 175.510 -0.027 0.000 1.124 328 N CA 0.598 53.615 53.050 -0.054 0.000 0.838 328 N CB 0.273 38.747 38.487 -0.022 0.000 0.994 328 N HN 0.392 nan 8.380 nan 0.000 0.489 329 A N 0.255 123.049 122.820 -0.043 0.000 2.269 329 A HA 0.564 4.884 4.320 0.000 0.000 0.327 329 A C 0.076 177.639 177.584 -0.035 0.000 1.112 329 A CA -0.430 51.581 52.037 -0.044 0.000 0.865 329 A CB 1.108 20.066 19.000 -0.070 0.000 1.227 329 A HN -0.028 nan 8.150 nan 0.000 0.498 330 V N 1.843 121.738 119.914 -0.032 0.000 2.334 330 V HA 0.381 4.501 4.120 0.000 0.000 0.267 330 V C 0.336 176.413 176.094 -0.029 0.000 1.040 330 V CA 0.153 62.440 62.300 -0.022 0.000 0.866 330 V CB 0.558 32.370 31.823 -0.017 0.000 1.019 330 V HN 0.935 nan 8.190 nan 0.000 0.468 331 T N 0.520 115.066 114.554 -0.012 0.000 3.042 331 T HA 0.651 5.001 4.350 0.000 0.000 0.356 331 T C -0.754 173.973 174.700 0.045 0.000 1.233 331 T CA -0.600 61.502 62.100 0.003 0.000 1.038 331 T CB 0.980 69.855 68.868 0.010 0.000 1.089 331 T HN 0.579 nan 8.240 nan 0.000 0.531 332 D N 1.791 122.220 120.400 0.048 0.000 2.622 332 D HA 0.508 5.148 4.640 0.000 0.000 0.255 332 D C -1.636 174.714 176.300 0.083 0.000 1.246 332 D CA -0.438 53.610 54.000 0.079 0.000 0.795 332 D CB 2.426 43.247 40.800 0.035 0.000 1.369 332 D HN 0.543 nan 8.370 nan 0.000 0.425 333 N N 0.869 119.639 118.700 0.117 0.000 2.493 333 N HA 0.421 5.162 4.740 0.000 0.000 0.279 333 N C -2.928 172.620 175.510 0.062 0.000 1.082 333 N CA -0.953 52.139 53.050 0.070 0.000 0.963 333 N CB 2.815 41.479 38.487 0.295 0.000 1.627 333 N HN 0.018 nan 8.380 nan 0.000 0.499 334 P HA 0.313 nan 4.420 nan 0.000 0.289 334 P C -0.872 176.118 177.300 -0.517 0.000 1.299 334 P CA -0.410 62.426 63.100 -0.440 0.000 0.766 334 P CB 0.798 31.990 31.700 -0.847 0.000 1.226 335 V N -4.104 115.440 119.914 -0.616 0.000 2.914 335 V HA 0.630 4.750 4.120 0.000 0.000 0.314 335 V C -1.029 174.660 176.094 -0.675 0.000 1.084 335 V CA -0.932 61.049 62.300 -0.532 0.000 0.963 335 V CB 1.595 33.283 31.823 -0.225 0.000 1.025 335 V HN 0.212 nan 8.190 nan 0.000 0.432 336 F N 2.176 122.111 119.950 -0.025 0.000 2.366 336 F HA 0.606 5.133 4.527 0.000 0.000 0.366 336 F C -2.411 173.383 175.800 -0.009 0.000 1.096 336 F CA -2.558 55.432 58.000 -0.015 0.000 1.060 336 F CB 1.355 40.352 39.000 -0.004 0.000 1.282 336 F HN 0.300 nan 8.300 nan 0.000 0.450 337 P HA -0.004 nan 4.420 nan 0.000 0.256 337 P C -1.983 175.363 177.300 0.076 0.000 1.173 337 P CA -0.643 62.495 63.100 0.064 0.000 0.768 337 P CB 0.395 32.118 31.700 0.039 0.000 0.758 338 P HA -0.211 nan 4.420 nan 0.000 0.218 338 P C 0.843 178.165 177.300 0.037 0.000 1.146 338 P CA 1.446 64.575 63.100 0.049 0.000 0.813 338 P CB -0.110 31.611 31.700 0.036 0.000 0.778 339 D N -1.977 118.442 120.400 0.032 0.000 2.347 339 D HA 0.033 4.673 4.640 0.000 0.000 0.215 339 D C 1.441 177.758 176.300 0.028 0.000 0.976 339 D CA 0.904 54.919 54.000 0.025 0.000 0.884 339 D CB -1.203 39.609 40.800 0.019 0.000 0.915 339 D HN 0.178 nan 8.370 nan 0.000 0.526 340 G N 0.176 109.000 108.800 0.039 0.000 2.153 340 G HA2 -0.372 3.588 3.960 0.000 0.000 0.252 340 G HA3 -0.372 3.588 3.960 0.000 0.000 0.252 340 G C 1.213 176.135 174.900 0.037 0.000 0.994 340 G CA 1.097 46.222 45.100 0.042 0.000 0.698 340 G HN 0.619 nan 8.290 nan 0.000 0.521 341 S N -1.454 114.266 115.700 0.033 0.000 2.359 341 S HA 0.181 4.651 4.470 0.000 0.000 0.224 341 S C 1.231 175.850 174.600 0.033 0.000 1.035 341 S CA 1.865 60.081 58.200 0.027 0.000 1.018 341 S CB -0.412 62.800 63.200 0.021 0.000 0.876 341 S HN 1.993 nan 8.310 nan 0.000 0.448 342 V N -3.107 116.832 119.914 0.042 0.000 2.962 342 V HA 0.568 4.688 4.120 0.000 0.000 0.313 342 V C -2.526 173.615 176.094 0.078 0.000 1.099 342 V CA -2.233 60.098 62.300 0.051 0.000 0.971 342 V CB 1.312 33.161 31.823 0.043 0.000 1.028 342 V HN -0.111 nan 8.190 nan 0.000 0.430 343 P HA 0.222 nan 4.420 nan 0.000 0.218 343 P C 0.287 177.726 177.300 0.231 0.000 1.149 343 P CA 2.014 65.202 63.100 0.146 0.000 0.817 343 P CB 0.193 31.971 31.700 0.131 0.000 0.785 344 A N -1.961 120.936 122.820 0.128 0.000 2.567 344 A HA 0.628 4.948 4.320 0.000 0.000 0.291 344 A C -2.029 175.517 177.584 -0.063 0.000 1.048 344 A CA -0.540 51.487 52.037 -0.017 0.000 0.661 344 A CB 0.377 19.335 19.000 -0.069 0.000 1.288 344 A HN -0.058 nan 8.150 nan 0.000 0.424 345 L N 1.245 122.341 121.223 -0.212 0.000 2.385 345 L HA 0.555 4.895 4.340 0.000 0.000 0.273 345 L C -1.188 175.519 176.870 -0.272 0.000 0.990 345 L CA -0.672 54.091 54.840 -0.129 0.000 0.821 345 L CB 2.292 44.291 42.059 -0.101 0.000 1.279 345 L HN 0.858 nan 8.230 nan 0.000 0.412 346 H N 1.433 120.444 119.070 -0.098 0.000 2.504 346 H HA 0.743 5.299 4.556 0.000 0.000 0.322 346 H C 0.236 175.513 175.328 -0.085 0.000 1.055 346 H CA -0.069 55.923 56.048 -0.094 0.000 1.231 346 H CB 1.888 31.591 29.762 -0.098 0.000 1.417 346 H HN 0.754 nan 8.280 nan 0.000 0.472 347 G N 0.721 109.510 108.800 -0.017 0.000 2.772 347 G HA2 0.438 4.398 3.960 0.000 0.000 0.284 347 G HA3 0.438 4.398 3.960 0.000 0.000 0.284 347 G C -0.176 174.623 174.900 -0.169 0.000 1.217 347 G CA -0.306 44.750 45.100 -0.072 0.000 0.831 347 G HN 0.646 nan 8.290 nan 0.000 0.523 348 G N -0.033 108.552 108.800 -0.360 0.000 4.432 348 G HA2 0.289 4.249 3.960 0.000 0.000 0.294 348 G HA3 0.289 4.249 3.960 0.000 0.000 0.294 348 G C 0.238 174.565 174.900 -0.955 0.000 1.141 348 G CA -0.155 44.409 45.100 -0.893 0.000 0.895 348 G HN 0.265 nan 8.290 nan 0.000 0.548 349 N N 0.885 119.232 118.700 -0.589 0.000 2.609 349 N HA -0.024 4.716 4.740 0.000 0.000 0.190 349 N C 1.317 176.671 175.510 -0.260 0.000 1.157 349 N CA 0.237 53.085 53.050 -0.336 0.000 0.918 349 N CB -0.158 38.226 38.487 -0.173 0.000 0.978 349 N HN 0.633 nan 8.380 nan 0.000 0.448 350 F N -1.676 118.261 119.950 -0.022 0.000 2.749 350 F HA 0.382 4.909 4.527 0.000 0.000 0.300 350 F C 0.736 176.535 175.800 -0.002 0.000 1.103 350 F CA -0.903 57.088 58.000 -0.014 0.000 1.342 350 F CB -0.620 38.372 39.000 -0.013 0.000 1.098 350 F HN -0.165 nan 8.300 nan 0.000 0.586 351 M N 2.681 122.186 119.600 -0.158 0.000 2.266 351 M HA 0.392 4.872 4.480 0.000 0.000 0.340 351 M C 0.941 177.267 176.300 0.042 0.000 1.486 351 M CA -0.378 54.934 55.300 0.020 0.000 1.209 351 M CB 0.330 32.866 32.600 -0.107 0.000 1.714 351 M HN 0.239 nan 8.290 nan 0.000 0.459 352 G N 3.413 112.264 108.800 0.085 0.000 3.452 352 G HA2 0.036 3.996 3.960 0.000 0.000 0.258 352 G HA3 0.036 3.996 3.960 0.000 0.000 0.258 352 G C 0.684 175.616 174.900 0.054 0.000 1.305 352 G CA -0.198 44.941 45.100 0.065 0.000 1.514 352 G HN 0.815 nan 8.290 nan 0.000 0.593 353 Q N 0.046 119.874 119.800 0.046 0.000 2.124 353 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 353 Q C 1.952 177.925 176.000 -0.045 0.000 0.977 353 Q CA 1.526 57.325 55.803 -0.006 0.000 0.850 353 Q CB -0.143 28.567 28.738 -0.047 0.000 0.901 353 Q HN 0.720 nan 8.270 nan 0.000 0.429 354 H N -1.683 117.362 119.070 -0.043 0.000 2.321 354 H HA -0.084 4.472 4.556 0.000 0.000 0.300 354 H C 1.811 177.057 175.328 -0.137 0.000 1.087 354 H CA 1.824 57.822 56.048 -0.084 0.000 1.319 354 H CB -0.034 29.665 29.762 -0.105 0.000 1.379 354 H HN 0.077 nan 8.280 nan 0.000 0.501 355 V N 0.438 120.357 119.914 0.009 0.000 2.515 355 V HA -0.206 3.914 4.120 0.000 0.000 0.250 355 V C 2.475 178.556 176.094 -0.022 0.000 1.058 355 V CA 1.355 63.620 62.300 -0.059 0.000 1.064 355 V CB -0.868 30.931 31.823 -0.040 0.000 0.675 355 V HN 0.570 nan 8.190 nan 0.000 0.461 356 A N -0.036 122.785 122.820 0.003 0.000 1.877 356 A HA -0.148 4.172 4.320 0.000 0.000 0.216 356 A C 2.200 179.799 177.584 0.025 0.000 1.186 356 A CA 1.742 53.791 52.037 0.021 0.000 0.620 356 A CB -0.465 18.548 19.000 0.022 0.000 0.822 356 A HN 0.491 nan 8.150 nan 0.000 0.443 357 L N -0.210 121.018 121.223 0.009 0.000 2.072 357 L HA -0.132 4.209 4.340 0.000 0.000 0.205 357 L C 2.989 179.910 176.870 0.085 0.000 1.079 357 L CA 1.753 56.629 54.840 0.060 0.000 0.752 357 L CB -0.877 41.232 42.059 0.083 0.000 0.906 357 L HN 0.650 nan 8.230 nan 0.000 0.436 358 T N -4.454 110.050 114.554 -0.083 0.000 2.857 358 T HA -0.095 4.255 4.350 0.000 0.000 0.266 358 T C 2.022 176.810 174.700 0.147 0.000 1.048 358 T CA 1.262 63.270 62.100 -0.152 0.000 1.139 358 T CB -0.247 68.320 68.868 -0.503 0.000 0.874 358 T HN 0.119 nan 8.240 nan 0.000 0.455 359 S N 1.646 117.423 115.700 0.128 0.000 2.368 359 S HA -0.097 4.373 4.470 0.000 0.000 0.224 359 S C 1.861 176.527 174.600 0.111 0.000 1.029 359 S CA 1.199 59.496 58.200 0.161 0.000 0.988 359 S CB -0.519 62.750 63.200 0.115 0.000 0.838 359 S HN 0.522 nan 8.310 nan 0.000 0.462 360 D N 1.615 122.073 120.400 0.097 0.000 2.144 360 D HA 0.010 4.650 4.640 0.000 0.000 0.199 360 D C 2.119 178.476 176.300 0.095 0.000 0.984 360 D CA 1.159 55.209 54.000 0.083 0.000 0.834 360 D CB -0.382 40.460 40.800 0.070 0.000 0.955 360 D HN 0.376 nan 8.370 nan 0.000 0.465 361 A N 0.758 123.670 122.820 0.154 0.000 1.898 361 A HA -0.128 4.192 4.320 0.000 0.000 0.216 361 A C 2.149 179.809 177.584 0.127 0.000 1.181 361 A CA 0.894 53.041 52.037 0.184 0.000 0.620 361 A CB -0.670 18.565 19.000 0.391 0.000 0.819 361 A HN 0.236 nan 8.150 nan 0.000 0.442 362 L N -0.231 121.063 121.223 0.118 0.000 2.093 362 L HA -0.022 4.318 4.340 0.000 0.000 0.208 362 L C 2.628 179.492 176.870 -0.011 0.000 1.085 362 L CA 1.975 56.828 54.840 0.022 0.000 0.755 362 L CB -0.771 41.219 42.059 -0.115 0.000 0.904 362 L HN 0.346 nan 8.230 nan 0.000 0.435 363 A N -1.547 121.282 122.820 0.013 0.000 1.908 363 A HA -0.214 4.106 4.320 0.000 0.000 0.218 363 A C 2.272 179.838 177.584 -0.029 0.000 1.181 363 A CA 2.350 54.388 52.037 0.000 0.000 0.627 363 A CB -1.189 17.826 19.000 0.026 0.000 0.818 363 A HN 0.494 nan 8.150 nan 0.000 0.445 364 T N 0.209 114.754 114.554 -0.015 0.000 2.746 364 T HA 0.005 4.355 4.350 0.000 0.000 0.267 364 T C 2.234 176.885 174.700 -0.083 0.000 1.039 364 T CA 1.538 63.616 62.100 -0.037 0.000 1.142 364 T CB -0.456 68.404 68.868 -0.013 0.000 0.866 364 T HN 0.602 nan 8.240 nan 0.000 0.444 365 A N 0.962 123.736 122.820 -0.077 0.000 1.902 365 A HA -0.062 4.258 4.320 0.000 0.000 0.217 365 A C 2.572 180.001 177.584 -0.259 0.000 1.181 365 A CA 1.355 53.315 52.037 -0.127 0.000 0.623 365 A CB -1.030 17.930 19.000 -0.066 0.000 0.818 365 A HN 0.357 nan 8.150 nan 0.000 0.443 366 V N -0.250 119.503 119.914 -0.268 0.000 2.407 366 V HA -0.214 3.906 4.120 0.000 0.000 0.248 366 V C 2.720 178.511 176.094 -0.506 0.000 1.055 366 V CA 2.428 64.435 62.300 -0.488 0.000 1.049 366 V CB -1.138 30.559 31.823 -0.210 0.000 0.662 366 V HN 0.624 nan 8.190 nan 0.000 0.455 367 T N -0.269 114.125 114.554 -0.267 0.000 2.821 367 T HA -0.132 4.218 4.350 0.000 0.000 0.267 367 T C 1.929 176.496 174.700 -0.220 0.000 1.046 367 T CA 1.447 63.427 62.100 -0.200 0.000 1.139 367 T CB -0.119 68.687 68.868 -0.102 0.000 0.871 367 T HN 0.290 nan 8.240 nan 0.000 0.454 368 V N 1.157 120.938 119.914 -0.223 0.000 2.307 368 V HA -0.077 4.043 4.120 0.000 0.000 0.245 368 V C 2.369 178.317 176.094 -0.243 0.000 1.045 368 V CA 1.264 63.452 62.300 -0.187 0.000 1.024 368 V CB -0.533 31.196 31.823 -0.156 0.000 0.651 368 V HN 0.316 nan 8.190 nan 0.000 0.449 369 L N 0.364 121.347 121.223 -0.400 0.000 2.141 369 L HA -0.020 4.320 4.340 0.000 0.000 0.209 369 L C 2.548 179.169 176.870 -0.415 0.000 1.094 369 L CA 2.021 56.603 54.840 -0.430 0.000 0.763 369 L CB -1.178 40.499 42.059 -0.637 0.000 0.908 369 L HN 0.282 nan 8.230 nan 0.000 0.437 370 A N -0.554 121.887 122.820 -0.632 0.000 1.969 370 A HA -0.062 4.258 4.320 0.000 0.000 0.218 370 A C 2.419 179.961 177.584 -0.070 0.000 1.169 370 A CA 1.495 53.352 52.037 -0.299 0.000 0.635 370 A CB -1.197 17.659 19.000 -0.240 0.000 0.810 370 A HN 0.421 nan 8.150 nan 0.000 0.445 371 G N -0.127 108.610 108.800 -0.105 0.000 2.408 371 G HA2 -0.111 3.849 3.960 0.000 0.000 0.217 371 G HA3 -0.111 3.849 3.960 0.000 0.000 0.217 371 G C 1.474 176.371 174.900 -0.005 0.000 1.150 371 G CA 1.147 46.224 45.100 -0.039 0.000 0.776 371 G HN 0.500 nan 8.290 nan 0.000 0.542 372 L N 1.455 122.669 121.223 -0.016 0.000 1.994 372 L HA 0.133 4.474 4.340 0.000 0.000 0.208 372 L C 3.044 179.954 176.870 0.066 0.000 1.071 372 L CA 2.352 57.206 54.840 0.024 0.000 0.745 372 L CB -0.815 41.250 42.059 0.010 0.000 0.892 372 L HN 0.215 nan 8.230 nan 0.000 0.431 373 A N -0.861 122.024 122.820 0.107 0.000 1.908 373 A HA -0.252 4.068 4.320 0.000 0.000 0.218 373 A C 2.335 179.978 177.584 0.099 0.000 1.181 373 A CA 1.842 53.964 52.037 0.143 0.000 0.627 373 A CB -0.810 18.338 19.000 0.247 0.000 0.818 373 A HN 0.617 nan 8.150 nan 0.000 0.445 374 E N -0.136 120.114 120.200 0.083 0.000 2.077 374 E HA -0.196 4.154 4.350 0.000 0.000 0.193 374 E C 2.082 178.716 176.600 0.055 0.000 0.989 374 E CA 0.882 57.321 56.400 0.065 0.000 0.800 374 E CB -0.207 29.525 29.700 0.053 0.000 0.746 374 E HN 0.374 nan 8.360 nan 0.000 0.452 375 R N 0.356 120.886 120.500 0.050 0.000 2.148 375 R HA -0.041 4.299 4.340 0.000 0.000 0.223 375 R C 2.346 178.675 176.300 0.048 0.000 1.088 375 R CA 0.789 56.916 56.100 0.045 0.000 0.985 375 R CB -0.366 29.959 30.300 0.042 0.000 0.880 375 R HN 0.396 nan 8.270 nan 0.000 0.451 376 Q N -0.018 119.817 119.800 0.058 0.000 2.119 376 Q HA -0.026 4.314 4.340 0.000 0.000 0.201 376 Q C 2.175 178.199 176.000 0.040 0.000 0.972 376 Q CA 1.076 56.913 55.803 0.057 0.000 0.847 376 Q CB -0.060 28.722 28.738 0.074 0.000 0.903 376 Q HN 0.296 nan 8.270 nan 0.000 0.433 377 I N 0.585 121.180 120.570 0.041 0.000 2.179 377 I HA -0.270 3.900 4.170 0.000 0.000 0.242 377 I C 2.403 178.545 176.117 0.041 0.000 1.088 377 I CA 0.984 62.301 61.300 0.030 0.000 1.357 377 I CB -0.398 37.625 38.000 0.040 0.000 1.051 377 I HN 0.156 nan 8.210 nan 0.000 0.409 378 A N 0.690 123.541 122.820 0.052 0.000 1.972 378 A HA -0.245 4.075 4.320 0.000 0.000 0.219 378 A C 2.428 180.026 177.584 0.024 0.000 1.169 378 A CA 1.862 53.932 52.037 0.056 0.000 0.635 378 A CB -0.617 18.415 19.000 0.053 0.000 0.810 378 A HN 0.402 nan 8.150 nan 0.000 0.446 379 R N -0.965 119.544 120.500 0.015 0.000 2.062 379 R HA -0.019 4.322 4.340 0.000 0.000 0.226 379 R C 2.005 178.294 176.300 -0.019 0.000 1.125 379 R CA 1.335 57.434 56.100 -0.002 0.000 0.966 379 R CB -0.403 29.903 30.300 0.011 0.000 0.861 379 R HN 0.380 nan 8.270 nan 0.000 0.433 380 L N 1.246 122.462 121.223 -0.011 0.000 2.127 380 L HA -0.114 4.226 4.340 0.000 0.000 0.211 380 L C 1.976 178.816 176.870 -0.050 0.000 1.089 380 L CA 2.448 57.272 54.840 -0.027 0.000 0.757 380 L CB -0.493 41.550 42.059 -0.026 0.000 0.899 380 L HN 0.458 nan 8.230 nan 0.000 0.434 381 T N -4.370 110.155 114.554 -0.048 0.000 3.081 381 T HA 0.031 4.381 4.350 0.000 0.000 0.250 381 T C 0.744 175.236 174.700 -0.347 0.000 1.100 381 T CA -0.131 61.910 62.100 -0.098 0.000 1.038 381 T CB -0.432 68.497 68.868 0.102 0.000 0.962 381 T HN 0.242 nan 8.240 nan 0.000 0.516 382 D N 2.689 122.951 120.400 -0.230 0.000 2.339 382 D HA 0.069 4.710 4.640 0.000 0.000 0.241 382 D C 1.304 177.482 176.300 -0.204 0.000 1.183 382 D CA -0.292 53.553 54.000 -0.259 0.000 0.859 382 D CB 1.268 41.998 40.800 -0.117 0.000 1.067 382 D HN 0.614 nan 8.370 nan 0.000 0.484 383 E N 3.152 123.207 120.200 -0.241 0.000 2.331 383 E HA -0.192 4.158 4.350 0.000 0.000 0.199 383 E C 1.045 177.598 176.600 -0.078 0.000 1.008 383 E CA 0.758 57.079 56.400 -0.132 0.000 0.843 383 E CB 0.088 29.725 29.700 -0.104 0.000 0.761 383 E HN 0.358 nan 8.360 nan 0.000 0.507 384 R N -0.037 120.418 120.500 -0.076 0.000 2.276 384 R HA 0.208 4.548 4.340 0.000 0.000 0.196 384 R C 1.656 177.931 176.300 -0.041 0.000 0.961 384 R CA 0.400 56.472 56.100 -0.046 0.000 1.024 384 R CB 0.250 30.528 30.300 -0.036 0.000 0.940 384 R HN 0.259 nan 8.270 nan 0.000 0.480 385 L N 0.007 121.200 121.223 -0.051 0.000 2.840 385 L HA 0.117 4.458 4.340 0.000 0.000 0.249 385 L C 0.533 177.381 176.870 -0.036 0.000 1.119 385 L CA -0.081 54.736 54.840 -0.039 0.000 0.930 385 L CB 0.255 42.292 42.059 -0.036 0.000 1.295 385 L HN 0.128 nan 8.230 nan 0.000 0.534 386 N N 0.883 119.555 118.700 -0.047 0.000 2.362 386 N HA -0.030 4.710 4.740 0.000 0.000 0.211 386 N C 0.045 175.538 175.510 -0.029 0.000 1.170 386 N CA -0.294 52.733 53.050 -0.038 0.000 0.828 386 N CB -0.162 38.294 38.487 -0.052 0.000 1.034 386 N HN 0.066 nan 8.380 nan 0.000 0.475 387 R N -0.445 120.040 120.500 -0.026 0.000 3.251 387 R HA -0.176 4.164 4.340 0.000 0.000 0.249 387 R C 0.772 177.062 176.300 -0.017 0.000 0.949 387 R CA 0.513 56.602 56.100 -0.019 0.000 0.645 387 R CB -2.085 28.206 30.300 -0.016 0.000 1.065 387 R HN 0.639 nan 8.270 nan 0.000 0.452 388 G N -1.009 107.780 108.800 -0.019 0.000 2.213 388 G HA2 -0.295 3.665 3.960 0.000 0.000 0.236 388 G HA3 -0.295 3.665 3.960 0.000 0.000 0.236 388 G C 0.265 175.155 174.900 -0.017 0.000 0.991 388 G CA 0.028 45.119 45.100 -0.015 0.000 0.629 388 G HN 0.253 nan 8.290 nan 0.000 0.517 389 L N 1.754 122.963 121.223 -0.024 0.000 2.436 389 L HA 0.404 4.744 4.340 0.000 0.000 0.265 389 L C -1.588 175.265 176.870 -0.028 0.000 1.168 389 L CA -1.938 52.886 54.840 -0.027 0.000 0.815 389 L CB 0.578 42.620 42.059 -0.027 0.000 1.109 389 L HN -0.074 nan 8.230 nan 0.000 0.462 390 P HA 0.042 nan 4.420 nan 0.000 0.267 390 P C -2.472 174.856 177.300 0.047 0.000 1.200 390 P CA -0.890 62.201 63.100 -0.015 0.000 0.772 390 P CB -0.186 31.383 31.700 -0.220 0.000 0.855 391 P HA -0.004 nan 4.420 nan 0.000 0.267 391 P C -0.213 177.157 177.300 0.117 0.000 1.205 391 P CA 0.295 63.356 63.100 -0.065 0.000 0.765 391 P CB -0.117 31.582 31.700 -0.001 0.000 0.828 392 F N 1.504 121.555 119.950 0.169 0.000 3.069 392 F HA -0.245 4.282 4.527 0.000 0.000 0.285 392 F C 1.283 177.265 175.800 0.303 0.000 0.827 392 F CA 0.372 58.498 58.000 0.209 0.000 1.108 392 F CB -2.623 36.491 39.000 0.189 0.000 1.252 392 F HN 0.270 nan 8.300 nan 0.000 0.483 393 L N -1.692 119.701 121.223 0.284 0.000 3.737 393 L HA -0.314 4.026 4.340 0.000 0.000 0.418 393 L C 1.303 178.333 176.870 0.266 0.000 1.216 393 L CA 1.025 56.005 54.840 0.232 0.000 0.915 393 L CB -2.013 40.184 42.059 0.230 0.000 1.834 393 L HN 0.696 nan 8.230 nan 0.000 0.943 394 H N 0.355 119.554 119.070 0.215 0.000 2.603 394 H HA 0.681 5.237 4.556 0.000 0.000 0.370 394 H C 0.273 175.661 175.328 0.100 0.000 1.225 394 H CA -0.499 55.633 56.048 0.141 0.000 1.410 394 H CB 0.932 30.766 29.762 0.121 0.000 1.495 394 H HN 0.298 nan 8.280 nan 0.000 0.602 395 R N -0.218 120.298 120.500 0.026 0.000 2.892 395 R HA 0.477 4.817 4.340 0.000 0.000 0.265 395 R C -0.231 176.167 176.300 0.164 0.000 1.025 395 R CA -0.225 55.866 56.100 -0.016 0.000 0.982 395 R CB 2.004 32.314 30.300 0.017 0.000 1.185 395 R HN 1.094 nan 8.270 nan 0.000 0.484 396 G N 1.224 110.093 108.800 0.115 0.000 2.741 396 G HA2 -0.193 3.767 3.960 0.000 0.000 0.222 396 G HA3 -0.193 3.767 3.960 0.000 0.000 0.222 396 G C -2.671 172.353 174.900 0.206 0.000 1.364 396 G CA -1.195 43.985 45.100 0.133 0.000 0.866 396 G HN 0.399 nan 8.290 nan 0.000 0.555 397 P HA 0.473 nan 4.420 nan 0.000 0.267 397 P C 0.338 177.653 177.300 0.024 0.000 1.209 397 P CA 0.785 63.941 63.100 0.094 0.000 0.763 397 P CB 0.792 32.518 31.700 0.043 0.000 0.816 398 A N 3.574 126.393 122.820 -0.003 0.000 2.462 398 A HA 0.489 4.809 4.320 0.000 0.000 0.243 398 A C 1.540 179.023 177.584 -0.168 0.000 1.076 398 A CA 0.881 52.726 52.037 -0.319 0.000 0.773 398 A CB -0.874 18.041 19.000 -0.143 0.000 1.010 398 A HN 0.799 nan 8.150 nan 0.000 0.493 399 G N 0.642 109.325 108.800 -0.193 0.000 3.400 399 G HA2 -0.277 3.683 3.960 0.000 0.000 0.209 399 G HA3 -0.277 3.683 3.960 0.000 0.000 0.209 399 G C 1.090 175.941 174.900 -0.082 0.000 1.411 399 G CA 0.397 45.442 45.100 -0.092 0.000 0.917 399 G HN 0.785 nan 8.290 nan 0.000 0.570 400 L N 1.060 122.242 121.223 -0.069 0.000 2.093 400 L HA 0.142 4.482 4.340 0.000 0.000 0.208 400 L C 0.921 177.758 176.870 -0.054 0.000 1.085 400 L CA 0.964 55.776 54.840 -0.045 0.000 0.755 400 L CB -0.291 41.755 42.059 -0.022 0.000 0.904 400 L HN 0.300 nan 8.230 nan 0.000 0.435 401 N N -0.953 117.699 118.700 -0.081 0.000 2.399 401 N HA 0.172 4.912 4.740 0.000 0.000 0.295 401 N C 0.019 175.457 175.510 -0.121 0.000 1.048 401 N CA -0.050 52.964 53.050 -0.060 0.000 0.886 401 N CB 2.014 40.526 38.487 0.042 0.000 1.185 401 N HN -0.141 nan 8.380 nan 0.000 0.487 402 S N 0.306 115.972 115.700 -0.057 0.000 2.603 402 S HA 0.230 4.700 4.470 0.000 0.000 0.232 402 S C 1.295 175.925 174.600 0.050 0.000 1.016 402 S CA -0.009 58.165 58.200 -0.043 0.000 0.976 402 S CB 0.502 63.631 63.200 -0.118 0.000 0.921 402 S HN 0.916 nan 8.310 nan 0.000 0.516 403 G N 2.528 111.361 108.800 0.054 0.000 2.660 403 G HA2 -0.353 3.607 3.960 0.000 0.000 0.321 403 G HA3 -0.353 3.607 3.960 0.000 0.000 0.321 403 G C 0.280 175.080 174.900 -0.166 0.000 1.246 403 G CA 0.926 46.024 45.100 -0.002 0.000 1.000 403 G HN 0.475 nan 8.290 nan 0.000 0.550 404 F N 1.358 121.394 119.950 0.142 0.000 2.664 404 F HA 0.445 4.972 4.527 0.000 0.000 0.301 404 F C 2.426 178.251 175.800 0.041 0.000 1.126 404 F CA 0.919 58.977 58.000 0.098 0.000 1.373 404 F CB 0.114 39.191 39.000 0.129 0.000 1.042 404 F HN 0.326 nan 8.300 nan 0.000 0.535 405 M N 0.003 119.591 119.600 -0.020 0.000 2.149 405 M HA -0.133 4.347 4.480 0.000 0.000 0.261 405 M C 2.316 178.481 176.300 -0.224 0.000 1.064 405 M CA 2.159 57.177 55.300 -0.469 0.000 1.102 405 M CB -0.403 31.645 32.600 -0.921 0.000 1.369 405 M HN 0.318 nan 8.290 nan 0.000 0.408 406 G N -0.806 107.923 108.800 -0.117 0.000 2.394 406 G HA2 -0.062 3.898 3.960 0.000 0.000 0.215 406 G HA3 -0.062 3.898 3.960 0.000 0.000 0.215 406 G C 1.474 176.377 174.900 0.005 0.000 1.165 406 G CA 0.676 45.736 45.100 -0.065 0.000 0.784 406 G HN 0.603 nan 8.290 nan 0.000 0.535 407 A N -0.000 122.860 122.820 0.068 0.000 1.972 407 A HA -0.080 4.240 4.320 0.000 0.000 0.219 407 A C 2.258 179.911 177.584 0.115 0.000 1.169 407 A CA 1.971 54.080 52.037 0.121 0.000 0.635 407 A CB -0.399 18.753 19.000 0.252 0.000 0.810 407 A HN 0.376 nan 8.150 nan 0.000 0.446 408 Q N 0.071 119.954 119.800 0.137 0.000 2.084 408 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 408 Q C 2.095 178.146 176.000 0.085 0.000 0.978 408 Q CA 2.045 57.928 55.803 0.134 0.000 0.844 408 Q CB -0.270 28.599 28.738 0.219 0.000 0.898 408 Q HN 0.440 nan 8.270 nan 0.000 0.426 409 V N 0.494 120.437 119.914 0.049 0.000 2.427 409 V HA -0.203 3.917 4.120 0.000 0.000 0.248 409 V C 2.351 178.464 176.094 0.032 0.000 1.051 409 V CA 1.993 64.312 62.300 0.031 0.000 1.048 409 V CB -0.831 30.991 31.823 -0.001 0.000 0.666 409 V HN 0.372 nan 8.190 nan 0.000 0.456 410 T N 0.473 115.047 114.554 0.033 0.000 2.746 410 T HA -0.170 4.180 4.350 0.000 0.000 0.267 410 T C 2.088 176.812 174.700 0.039 0.000 1.039 410 T CA 1.626 63.745 62.100 0.032 0.000 1.142 410 T CB -0.381 68.506 68.868 0.032 0.000 0.866 410 T HN 0.579 nan 8.240 nan 0.000 0.444 411 A N 1.238 124.087 122.820 0.050 0.000 1.908 411 A HA -0.143 4.177 4.320 0.000 0.000 0.218 411 A C 2.553 180.166 177.584 0.050 0.000 1.181 411 A CA 2.159 54.228 52.037 0.053 0.000 0.627 411 A CB -1.238 17.798 19.000 0.060 0.000 0.818 411 A HN 0.480 nan 8.150 nan 0.000 0.445 412 T N 0.245 114.828 114.554 0.047 0.000 2.788 412 T HA 0.006 4.356 4.350 0.000 0.000 0.268 412 T C 2.199 176.918 174.700 0.032 0.000 1.044 412 T CA 1.482 63.606 62.100 0.040 0.000 1.139 412 T CB -0.420 68.472 68.868 0.041 0.000 0.867 412 T HN 0.601 nan 8.240 nan 0.000 0.454 413 A N 1.268 124.106 122.820 0.030 0.000 1.902 413 A HA 0.028 4.348 4.320 0.000 0.000 0.217 413 A C 2.286 179.886 177.584 0.027 0.000 1.181 413 A CA 1.137 53.188 52.037 0.024 0.000 0.623 413 A CB -0.804 18.209 19.000 0.021 0.000 0.818 413 A HN 0.476 nan 8.150 nan 0.000 0.443 414 L N -1.143 120.100 121.223 0.033 0.000 2.046 414 L HA -0.155 4.185 4.340 0.000 0.000 0.208 414 L C 2.550 179.443 176.870 0.038 0.000 1.077 414 L CA 1.130 55.993 54.840 0.038 0.000 0.747 414 L CB -0.521 41.566 42.059 0.048 0.000 0.896 414 L HN 0.469 nan 8.230 nan 0.000 0.432 415 L N 0.204 121.449 121.223 0.037 0.000 2.056 415 L HA -0.097 4.243 4.340 0.000 0.000 0.207 415 L C 2.643 179.523 176.870 0.016 0.000 1.078 415 L CA 1.917 56.773 54.840 0.026 0.000 0.749 415 L CB -0.672 41.401 42.059 0.024 0.000 0.901 415 L HN 0.125 nan 8.230 nan 0.000 0.433 416 A N -0.770 122.061 122.820 0.018 0.000 1.940 416 A HA -0.287 4.033 4.320 0.000 0.000 0.219 416 A C 2.330 179.922 177.584 0.014 0.000 1.176 416 A CA 1.911 53.957 52.037 0.014 0.000 0.631 416 A CB -0.752 18.257 19.000 0.015 0.000 0.814 416 A HN 0.638 nan 8.150 nan 0.000 0.446 417 E N -0.671 119.540 120.200 0.018 0.000 2.072 417 E HA -0.183 4.167 4.350 0.000 0.000 0.191 417 E C 2.047 178.658 176.600 0.018 0.000 0.985 417 E CA 1.284 57.695 56.400 0.018 0.000 0.801 417 E CB -0.208 29.505 29.700 0.022 0.000 0.750 417 E HN 0.665 nan 8.360 nan 0.000 0.452 418 M N 0.057 119.668 119.600 0.019 0.000 2.080 418 M HA -0.194 4.286 4.480 0.000 0.000 0.260 418 M C 2.331 178.636 176.300 0.008 0.000 1.068 418 M CA 1.651 56.960 55.300 0.016 0.000 1.109 418 M CB -0.218 32.388 32.600 0.009 0.000 1.342 418 M HN 0.030 nan 8.290 nan 0.000 0.405 419 R N 0.027 120.530 120.500 0.004 0.000 2.193 419 R HA -0.038 4.302 4.340 0.000 0.000 0.229 419 R C 2.179 178.484 176.300 0.009 0.000 1.110 419 R CA 1.101 57.202 56.100 0.002 0.000 0.988 419 R CB -0.470 29.830 30.300 -0.001 0.000 0.871 419 R HN 0.380 nan 8.270 nan 0.000 0.458 420 A N 0.592 123.420 122.820 0.012 0.000 2.067 420 A HA -0.034 4.286 4.320 0.000 0.000 0.219 420 A C 0.790 178.385 177.584 0.020 0.000 1.158 420 A CA 0.922 52.968 52.037 0.015 0.000 0.661 420 A CB 0.074 19.082 19.000 0.013 0.000 0.801 420 A HN 0.107 nan 8.150 nan 0.000 0.452 421 T N 0.127 114.694 114.554 0.022 0.000 2.771 421 T HA 0.551 4.901 4.350 0.000 0.000 0.281 421 T C 0.439 175.162 174.700 0.039 0.000 0.982 421 T CA 0.062 62.181 62.100 0.031 0.000 0.978 421 T CB 1.513 70.399 68.868 0.030 0.000 0.930 421 T HN 0.371 nan 8.240 nan 0.000 0.447 422 G N 3.086 111.922 108.800 0.060 0.000 2.795 422 G HA2 0.676 4.636 3.960 0.000 0.000 0.267 422 G HA3 0.676 4.636 3.960 0.000 0.000 0.267 422 G C -2.636 172.311 174.900 0.079 0.000 1.362 422 G CA -1.614 43.525 45.100 0.063 0.000 1.048 422 G HN 0.434 nan 8.290 nan 0.000 0.547 423 P HA 0.251 nan 4.420 nan 0.000 0.266 423 P C 0.330 177.684 177.300 0.090 0.000 1.195 423 P CA 0.390 63.521 63.100 0.052 0.000 0.768 423 P CB 1.288 32.995 31.700 0.011 0.000 0.838 424 A N 1.891 124.769 122.820 0.096 0.000 1.997 424 A HA -0.033 4.287 4.320 0.000 0.000 0.212 424 A C 2.071 179.713 177.584 0.096 0.000 1.178 424 A CA 0.972 53.105 52.037 0.161 0.000 0.698 424 A CB -0.989 18.081 19.000 0.117 0.000 0.842 424 A HN 0.471 nan 8.150 nan 0.000 0.458 425 S N 0.640 116.354 115.700 0.023 0.000 2.402 425 S HA -0.191 4.279 4.470 0.000 0.000 0.233 425 S C 1.701 176.256 174.600 -0.075 0.000 1.030 425 S CA 1.617 59.812 58.200 -0.008 0.000 1.003 425 S CB -0.701 62.497 63.200 -0.003 0.000 0.813 425 S HN 0.790 nan 8.310 nan 0.000 0.477 426 I N -1.244 119.200 120.570 -0.208 0.000 3.444 426 I HA 0.035 4.205 4.170 0.000 0.000 0.287 426 I C 0.655 176.549 176.117 -0.370 0.000 1.302 426 I CA 0.996 62.116 61.300 -0.300 0.000 1.368 426 I CB -0.376 37.407 38.000 -0.360 0.000 1.048 426 I HN 0.168 nan 8.210 nan 0.000 0.487 427 H N 1.315 120.397 119.070 0.020 0.000 2.550 427 H HA 0.312 4.868 4.556 0.000 0.000 0.304 427 H C 0.621 175.962 175.328 0.021 0.000 1.086 427 H CA -0.249 55.810 56.048 0.019 0.000 1.089 427 H CB -0.000 29.773 29.762 0.019 0.000 1.528 427 H HN 0.294 nan 8.280 nan 0.000 0.539 428 S N 1.255 116.999 115.700 0.073 0.000 2.552 428 S HA 0.184 4.654 4.470 0.000 0.000 0.289 428 S C 0.291 174.930 174.600 0.066 0.000 1.304 428 S CA -0.212 58.026 58.200 0.064 0.000 1.063 428 S CB -0.021 63.201 63.200 0.038 0.000 0.848 428 S HN 0.308 nan 8.310 nan 0.000 0.499 429 I N 3.381 123.988 120.570 0.062 0.000 2.533 429 I HA 0.223 4.393 4.170 0.000 0.000 0.290 429 I C 0.090 176.235 176.117 0.045 0.000 1.056 429 I CA -0.636 60.696 61.300 0.052 0.000 1.057 429 I CB 2.134 40.166 38.000 0.052 0.000 1.240 429 I HN 0.564 nan 8.210 nan 0.000 0.423 430 S N 3.834 119.557 115.700 0.039 0.000 2.537 430 S HA 0.276 4.746 4.470 0.000 0.000 0.286 430 S C -0.201 174.421 174.600 0.037 0.000 1.299 430 S CA 0.419 58.641 58.200 0.037 0.000 1.067 430 S CB 0.276 63.495 63.200 0.032 0.000 0.864 430 S HN 0.776 nan 8.310 nan 0.000 0.494 431 T N 2.979 117.557 114.554 0.039 0.000 2.681 431 T HA 0.412 4.762 4.350 0.000 0.000 0.296 431 T C -0.317 174.407 174.700 0.040 0.000 1.157 431 T CA -0.092 62.031 62.100 0.038 0.000 1.025 431 T CB 0.762 69.655 68.868 0.041 0.000 1.441 431 T HN 0.901 nan 8.240 nan 0.000 0.504 432 N N 0.529 119.254 118.700 0.040 0.000 2.756 432 N HA -0.215 4.525 4.740 0.000 0.000 0.248 432 N C 0.261 175.794 175.510 0.037 0.000 1.062 432 N CA 0.809 53.885 53.050 0.043 0.000 0.696 432 N CB -1.198 37.320 38.487 0.052 0.000 0.946 432 N HN 1.608 nan 8.380 nan 0.000 0.548 433 A N -1.011 121.827 122.820 0.029 0.000 2.869 433 A HA 0.026 4.346 4.320 0.000 0.000 0.280 433 A C 1.300 178.900 177.584 0.027 0.000 1.458 433 A CA 1.959 54.010 52.037 0.024 0.000 0.776 433 A CB -2.310 16.703 19.000 0.021 0.000 1.028 433 A HN 2.208 nan 8.150 nan 0.000 0.547 434 A N -2.330 120.507 122.820 0.030 0.000 3.396 434 A HA -0.361 3.959 4.320 0.000 0.000 0.267 434 A C 1.391 178.996 177.584 0.035 0.000 1.139 434 A CA 2.069 54.124 52.037 0.030 0.000 1.115 434 A CB -2.514 16.501 19.000 0.025 0.000 1.133 434 A HN 2.222 nan 8.150 nan 0.000 0.920 435 N N -0.077 118.646 118.700 0.039 0.000 2.216 435 N HA -0.080 4.660 4.740 0.000 0.000 0.183 435 N C 0.970 176.511 175.510 0.051 0.000 1.017 435 N CA 1.827 54.904 53.050 0.044 0.000 0.861 435 N CB -0.139 38.379 38.487 0.050 0.000 0.986 435 N HN 0.750 nan 8.380 nan 0.000 0.428 436 Q N 0.514 120.345 119.800 0.052 0.000 3.008 436 Q HA 0.071 4.411 4.340 0.000 0.000 0.307 436 Q C -0.444 175.590 176.000 0.056 0.000 1.273 436 Q CA -0.313 55.527 55.803 0.063 0.000 1.091 436 Q CB 0.616 29.389 28.738 0.058 0.000 1.393 436 Q HN 0.494 nan 8.270 nan 0.000 0.521 437 D N -0.486 119.944 120.400 0.051 0.000 2.348 437 D HA -0.078 4.563 4.640 0.000 0.000 0.216 437 D C 0.646 176.972 176.300 0.042 0.000 0.970 437 D CA 0.421 54.446 54.000 0.042 0.000 0.889 437 D CB 0.115 40.935 40.800 0.034 0.000 0.912 437 D HN 0.201 nan 8.370 nan 0.000 0.524 438 V N -1.631 118.313 119.914 0.050 0.000 2.686 438 V HA 0.739 4.859 4.120 0.000 0.000 0.306 438 V C -0.387 175.746 176.094 0.064 0.000 1.065 438 V CA -1.220 61.108 62.300 0.047 0.000 0.894 438 V CB 1.808 33.653 31.823 0.036 0.000 1.004 438 V HN 0.092 nan 8.190 nan 0.000 0.424 439 V N 1.169 121.119 119.914 0.061 0.000 2.962 439 V HA 0.787 4.907 4.120 0.000 0.000 0.313 439 V C 1.052 177.183 176.094 0.061 0.000 1.099 439 V CA 0.271 62.615 62.300 0.073 0.000 0.971 439 V CB 1.516 33.381 31.823 0.070 0.000 1.028 439 V HN 1.271 nan 8.190 nan 0.000 0.430 440 S N 2.265 118.006 115.700 0.067 0.000 2.425 440 S HA 0.114 4.584 4.470 0.000 0.000 0.225 440 S C 1.141 175.771 174.600 0.051 0.000 1.024 440 S CA 1.002 59.233 58.200 0.052 0.000 0.951 440 S CB -0.830 62.403 63.200 0.054 0.000 0.796 440 S HN 1.345 nan 8.310 nan 0.000 0.498 441 L N 0.364 121.623 121.223 0.059 0.000 4.040 441 L HA -0.206 4.134 4.340 0.000 0.000 0.410 441 L C 1.548 178.452 176.870 0.055 0.000 1.187 441 L CA 0.034 54.911 54.840 0.061 0.000 0.956 441 L CB -2.300 39.804 42.059 0.074 0.000 2.022 441 L HN 0.535 nan 8.230 nan 0.000 0.897 442 G N -0.165 108.665 108.800 0.050 0.000 2.442 442 G HA2 -0.230 3.730 3.960 0.000 0.000 0.219 442 G HA3 -0.230 3.730 3.960 0.000 0.000 0.219 442 G C 1.298 176.225 174.900 0.044 0.000 1.141 442 G CA 1.432 46.559 45.100 0.044 0.000 0.763 442 G HN 0.487 nan 8.290 nan 0.000 0.554 443 T N 1.269 115.849 114.554 0.043 0.000 2.746 443 T HA -0.041 4.309 4.350 0.000 0.000 0.267 443 T C 2.376 177.101 174.700 0.041 0.000 1.039 443 T CA 1.037 63.160 62.100 0.038 0.000 1.142 443 T CB -0.141 68.746 68.868 0.031 0.000 0.866 443 T HN 0.276 nan 8.240 nan 0.000 0.444 444 I N 1.674 122.271 120.570 0.045 0.000 2.252 444 I HA -0.139 4.031 4.170 0.000 0.000 0.245 444 I C 3.035 179.186 176.117 0.055 0.000 1.102 444 I CA 1.076 62.405 61.300 0.048 0.000 1.385 444 I CB -0.560 37.471 38.000 0.053 0.000 1.064 444 I HN 0.214 nan 8.210 nan 0.000 0.414 445 A N 0.815 123.671 122.820 0.060 0.000 1.883 445 A HA -0.226 4.094 4.320 0.000 0.000 0.217 445 A C 2.533 180.157 177.584 0.066 0.000 1.186 445 A CA 2.128 54.203 52.037 0.064 0.000 0.624 445 A CB -0.945 18.091 19.000 0.061 0.000 0.822 445 A HN 0.442 nan 8.150 nan 0.000 0.444 446 A N -0.520 122.339 122.820 0.065 0.000 1.930 446 A HA -0.130 4.190 4.320 0.000 0.000 0.217 446 A C 2.241 179.865 177.584 0.068 0.000 1.175 446 A CA 1.472 53.554 52.037 0.075 0.000 0.627 446 A CB -0.422 18.621 19.000 0.072 0.000 0.815 446 A HN 0.555 nan 8.150 nan 0.000 0.443 447 R N -0.520 120.013 120.500 0.056 0.000 2.092 447 R HA 0.026 4.366 4.340 0.000 0.000 0.231 447 R C 1.972 178.303 176.300 0.052 0.000 1.119 447 R CA 1.261 57.391 56.100 0.050 0.000 0.970 447 R CB -0.433 29.891 30.300 0.039 0.000 0.864 447 R HN 0.493 nan 8.270 nan 0.000 0.440 448 L N -0.272 120.983 121.223 0.052 0.000 2.093 448 L HA -0.215 4.125 4.340 0.000 0.000 0.208 448 L C 2.737 179.639 176.870 0.053 0.000 1.085 448 L CA 0.782 55.652 54.840 0.050 0.000 0.755 448 L CB -0.511 41.579 42.059 0.052 0.000 0.904 448 L HN 0.378 nan 8.230 nan 0.000 0.435 449 C N 0.320 119.655 119.300 0.058 0.000 2.446 449 C HA -0.153 4.307 4.460 0.000 0.000 0.277 449 C C 3.092 178.123 174.990 0.069 0.000 1.275 449 C CA 0.846 59.898 59.018 0.057 0.000 1.727 449 C CB -0.535 27.240 27.740 0.057 0.000 2.010 449 C HN 0.489 nan 8.230 nan 0.000 0.486 450 R N 1.312 121.855 120.500 0.072 0.000 2.091 450 R HA -0.087 4.253 4.340 0.000 0.000 0.238 450 R C 2.100 178.448 176.300 0.080 0.000 1.136 450 R CA 2.019 58.167 56.100 0.081 0.000 0.959 450 R CB -0.854 29.492 30.300 0.076 0.000 0.856 450 R HN 0.534 nan 8.270 nan 0.000 0.437 451 E N 0.732 120.972 120.200 0.067 0.000 2.085 451 E HA -0.184 4.166 4.350 0.000 0.000 0.194 451 E C 1.870 178.514 176.600 0.075 0.000 0.994 451 E CA 1.437 57.875 56.400 0.063 0.000 0.801 451 E CB -0.123 29.606 29.700 0.049 0.000 0.743 451 E HN 0.433 nan 8.360 nan 0.000 0.453 452 K N 0.275 120.720 120.400 0.075 0.000 2.097 452 K HA -0.018 4.302 4.320 0.000 0.000 0.205 452 K C 2.307 178.997 176.600 0.151 0.000 1.050 452 K CA 0.755 57.092 56.287 0.083 0.000 0.938 452 K CB -0.119 32.409 32.500 0.047 0.000 0.718 452 K HN 0.089 nan 8.250 nan 0.000 0.442 453 I N 1.440 122.111 120.570 0.168 0.000 2.286 453 I HA -0.280 3.890 4.170 0.000 0.000 0.248 453 I C 1.550 177.787 176.117 0.200 0.000 1.115 453 I CA 1.157 62.611 61.300 0.256 0.000 1.392 453 I CB -0.214 37.902 38.000 0.195 0.000 1.065 453 I HN 0.148 nan 8.210 nan 0.000 0.418 454 D N 0.485 120.962 120.400 0.128 0.000 2.144 454 D HA -0.116 4.524 4.640 0.000 0.000 0.200 454 D C 2.337 178.691 176.300 0.090 0.000 0.978 454 D CA 0.860 54.911 54.000 0.085 0.000 0.833 454 D CB -0.153 40.686 40.800 0.065 0.000 0.961 454 D HN 0.158 nan 8.370 nan 0.000 0.470 455 R N -0.105 120.465 120.500 0.117 0.000 2.075 455 R HA -0.110 4.230 4.340 0.000 0.000 0.232 455 R C 2.124 178.535 176.300 0.186 0.000 1.126 455 R CA 0.467 56.636 56.100 0.115 0.000 0.963 455 R CB -1.050 29.309 30.300 0.097 0.000 0.858 455 R HN 0.342 nan 8.270 nan 0.000 0.435 456 W N 1.926 123.227 121.300 0.002 0.000 2.358 456 W HA -0.093 4.567 4.660 0.000 0.000 0.303 456 W C 2.077 178.588 176.519 -0.013 0.000 1.208 456 W CA 1.395 58.742 57.345 0.002 0.000 1.274 456 W CB -0.625 28.843 29.460 0.014 0.000 1.138 456 W HN 0.135 nan 8.180 nan 0.000 0.515 457 A N 0.170 122.994 122.820 0.008 0.000 1.933 457 A HA -0.226 4.094 4.320 0.000 0.000 0.218 457 A C 1.868 179.371 177.584 -0.136 0.000 1.175 457 A CA 1.981 53.906 52.037 -0.187 0.000 0.628 457 A CB -0.758 18.155 19.000 -0.144 0.000 0.814 457 A HN 0.457 nan 8.150 nan 0.000 0.444 458 E N -0.380 119.797 120.200 -0.037 0.000 2.106 458 E HA -0.089 4.261 4.350 0.000 0.000 0.192 458 E C 1.834 178.423 176.600 -0.018 0.000 0.984 458 E CA 1.094 57.474 56.400 -0.033 0.000 0.806 458 E CB -0.237 29.466 29.700 0.005 0.000 0.750 458 E HN 0.697 nan 8.360 nan 0.000 0.458 459 I N 0.836 121.432 120.570 0.044 0.000 2.252 459 I HA -0.267 3.903 4.170 0.000 0.000 0.245 459 I C 2.206 178.343 176.117 0.034 0.000 1.102 459 I CA 0.952 62.296 61.300 0.073 0.000 1.385 459 I CB -0.137 37.961 38.000 0.162 0.000 1.064 459 I HN 0.115 nan 8.210 nan 0.000 0.414 460 L N 0.415 121.631 121.223 -0.012 0.000 2.083 460 L HA -0.189 4.151 4.340 0.000 0.000 0.209 460 L C 2.820 179.592 176.870 -0.163 0.000 1.083 460 L CA 1.205 55.994 54.840 -0.086 0.000 0.752 460 L CB -0.658 41.257 42.059 -0.239 0.000 0.899 460 L HN 0.242 nan 8.230 nan 0.000 0.433 461 A N 0.269 122.961 122.820 -0.213 0.000 1.933 461 A HA -0.172 4.148 4.320 0.000 0.000 0.218 461 A C 2.202 179.674 177.584 -0.186 0.000 1.175 461 A CA 1.441 53.319 52.037 -0.265 0.000 0.628 461 A CB -0.590 18.255 19.000 -0.257 0.000 0.814 461 A HN 0.356 nan 8.150 nan 0.000 0.444 462 I N -0.873 119.635 120.570 -0.103 0.000 2.252 462 I HA -0.213 3.957 4.170 0.000 0.000 0.245 462 I C 2.409 178.467 176.117 -0.098 0.000 1.102 462 I CA 1.096 62.361 61.300 -0.058 0.000 1.385 462 I CB -0.266 37.735 38.000 0.002 0.000 1.064 462 I HN 0.386 nan 8.210 nan 0.000 0.414 463 L N 1.285 122.467 121.223 -0.070 0.000 2.046 463 L HA -0.152 4.188 4.340 0.000 0.000 0.208 463 L C 2.537 179.358 176.870 -0.082 0.000 1.077 463 L CA 2.128 56.933 54.840 -0.060 0.000 0.747 463 L CB -0.841 41.223 42.059 0.008 0.000 0.896 463 L HN 0.185 nan 8.230 nan 0.000 0.432 464 A N -0.525 122.243 122.820 -0.085 0.000 1.877 464 A HA -0.159 4.161 4.320 0.000 0.000 0.216 464 A C 2.266 179.789 177.584 -0.102 0.000 1.186 464 A CA 1.962 53.963 52.037 -0.060 0.000 0.620 464 A CB -0.883 18.046 19.000 -0.118 0.000 0.822 464 A HN 0.498 nan 8.150 nan 0.000 0.443 465 L N -0.901 120.225 121.223 -0.162 0.000 2.046 465 L HA -0.243 4.097 4.340 0.000 0.000 0.208 465 L C 2.747 179.442 176.870 -0.291 0.000 1.077 465 L CA 1.239 56.003 54.840 -0.126 0.000 0.747 465 L CB -0.733 41.315 42.059 -0.019 0.000 0.896 465 L HN 0.488 nan 8.230 nan 0.000 0.432 466 C N -0.169 118.812 119.300 -0.531 0.000 2.429 466 C HA -0.150 4.310 4.460 0.000 0.000 0.277 466 C C 2.772 177.551 174.990 -0.351 0.000 1.262 466 C CA 0.564 59.108 59.018 -0.790 0.000 1.733 466 C CB -0.744 26.661 27.740 -0.558 0.000 2.010 466 C HN 0.425 nan 8.230 nan 0.000 0.483 467 L N 0.827 121.943 121.223 -0.179 0.000 2.056 467 L HA -0.124 4.216 4.340 0.000 0.000 0.207 467 L C 2.870 179.723 176.870 -0.029 0.000 1.078 467 L CA 1.477 56.275 54.840 -0.069 0.000 0.749 467 L CB -0.717 41.337 42.059 -0.009 0.000 0.901 467 L HN 0.330 nan 8.230 nan 0.000 0.433 468 A N -0.335 122.476 122.820 -0.014 0.000 1.908 468 A HA -0.308 4.012 4.320 0.000 0.000 0.218 468 A C 2.205 179.816 177.584 0.044 0.000 1.181 468 A CA 2.087 54.146 52.037 0.037 0.000 0.627 468 A CB -0.531 18.509 19.000 0.067 0.000 0.818 468 A HN 0.440 nan 8.150 nan 0.000 0.445 469 Q N -0.430 119.391 119.800 0.035 0.000 2.046 469 Q HA 0.003 4.343 4.340 0.000 0.000 0.200 469 Q C 2.098 178.124 176.000 0.043 0.000 0.975 469 Q CA 2.040 57.896 55.803 0.089 0.000 0.836 469 Q CB -0.509 28.354 28.738 0.209 0.000 0.896 469 Q HN 0.546 nan 8.270 nan 0.000 0.428 470 A N 0.441 123.256 122.820 -0.009 0.000 1.940 470 A HA -0.110 4.211 4.320 0.000 0.000 0.219 470 A C 2.296 179.884 177.584 0.007 0.000 1.176 470 A CA 1.817 53.850 52.037 -0.008 0.000 0.631 470 A CB -1.206 17.774 19.000 -0.032 0.000 0.814 470 A HN 0.553 nan 8.150 nan 0.000 0.446 471 A N -0.146 122.682 122.820 0.013 0.000 1.902 471 A HA -0.182 4.138 4.320 0.000 0.000 0.217 471 A C 1.917 179.515 177.584 0.024 0.000 1.181 471 A CA 1.688 53.738 52.037 0.021 0.000 0.623 471 A CB -0.492 18.526 19.000 0.030 0.000 0.818 471 A HN 0.656 nan 8.150 nan 0.000 0.443 472 E N -0.313 119.905 120.200 0.031 0.000 2.107 472 E HA -0.051 4.299 4.350 0.000 0.000 0.191 472 E C 1.907 178.520 176.600 0.022 0.000 0.982 472 E CA 0.813 57.231 56.400 0.031 0.000 0.809 472 E CB -0.222 29.503 29.700 0.043 0.000 0.756 472 E HN 0.609 nan 8.360 nan 0.000 0.459 473 L N 0.450 121.685 121.223 0.019 0.000 2.056 473 L HA -0.140 4.200 4.340 0.000 0.000 0.207 473 L C 2.633 179.503 176.870 0.001 0.000 1.078 473 L CA 0.937 55.780 54.840 0.005 0.000 0.749 473 L CB -0.142 41.917 42.059 -0.001 0.000 0.901 473 L HN 0.009 nan 8.230 nan 0.000 0.433 474 R N -0.362 120.140 120.500 0.004 0.000 2.075 474 R HA -0.044 4.296 4.340 0.000 0.000 0.226 474 R C 1.814 178.117 176.300 0.006 0.000 1.114 474 R CA 1.616 57.718 56.100 0.003 0.000 0.972 474 R CB -0.381 29.921 30.300 0.003 0.000 0.869 474 R HN 0.348 nan 8.270 nan 0.000 0.437 475 C N 0.063 119.369 119.300 0.010 0.000 3.183 475 C HA 0.640 5.100 4.460 0.000 0.000 0.285 475 C C 0.616 175.614 174.990 0.013 0.000 1.313 475 C CA -0.277 58.748 59.018 0.012 0.000 1.711 475 C CB -0.722 27.026 27.740 0.014 0.000 2.135 475 C HN 0.737 nan 8.230 nan 0.000 0.651 476 G N 1.659 110.467 108.800 0.014 0.000 2.758 476 G HA2 -0.144 3.816 3.960 0.000 0.000 0.686 476 G HA3 -0.144 3.816 3.960 0.000 0.000 0.686 476 G C 0.703 175.615 174.900 0.019 0.000 1.389 476 G CA 0.079 45.188 45.100 0.015 0.000 0.845 476 G HN 0.781 nan 8.290 nan 0.000 0.572 477 S N -0.558 115.154 115.700 0.020 0.000 2.440 477 S HA 0.019 4.489 4.470 0.000 0.000 0.238 477 S C 2.357 176.971 174.600 0.023 0.000 1.010 477 S CA 1.954 60.169 58.200 0.024 0.000 0.972 477 S CB -0.200 63.014 63.200 0.023 0.000 0.774 477 S HN 2.190 nan 8.310 nan 0.000 0.501 478 G N 0.711 109.522 108.800 0.019 0.000 2.920 478 G HA2 0.378 4.338 3.960 0.000 0.000 0.208 478 G HA3 0.378 4.338 3.960 0.000 0.000 0.208 478 G C 0.528 175.439 174.900 0.019 0.000 1.159 478 G CA -0.115 44.996 45.100 0.018 0.000 0.784 478 G HN 0.608 nan 8.290 nan 0.000 0.535 479 L N 0.970 122.206 121.223 0.020 0.000 3.660 479 L HA -0.146 4.195 4.340 0.000 0.000 0.440 479 L C -0.880 176.001 176.870 0.017 0.000 1.262 479 L CA -0.127 54.725 54.840 0.021 0.000 0.837 479 L CB -1.714 40.360 42.059 0.025 0.000 1.689 479 L HN 0.208 nan 8.230 nan 0.000 0.890 480 D N 1.485 121.894 120.400 0.015 0.000 2.434 480 D HA 0.272 4.912 4.640 0.000 0.000 0.252 480 D C 1.383 177.690 176.300 0.011 0.000 1.185 480 D CA 1.411 55.418 54.000 0.012 0.000 0.886 480 D CB 1.225 42.032 40.800 0.011 0.000 1.148 480 D HN 0.558 nan 8.370 nan 0.000 0.483 481 G N 1.481 110.288 108.800 0.010 0.000 2.199 481 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 481 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 481 G C 0.491 175.398 174.900 0.011 0.000 0.982 481 G CA 0.119 45.224 45.100 0.009 0.000 0.632 481 G HN 0.522 nan 8.290 nan 0.000 0.529 482 V N 2.503 122.426 119.914 0.015 0.000 2.715 482 V HA 0.478 4.598 4.120 0.000 0.000 0.299 482 V C 1.506 177.611 176.094 0.018 0.000 1.054 482 V CA 0.223 62.534 62.300 0.019 0.000 1.077 482 V CB 1.409 33.245 31.823 0.023 0.000 0.972 482 V HN 1.067 nan 8.190 nan 0.000 0.484 483 S N 4.850 120.563 115.700 0.022 0.000 2.576 483 S HA 0.130 4.600 4.470 0.000 0.000 0.272 483 S C -1.723 172.886 174.600 0.016 0.000 1.352 483 S CA -0.658 57.554 58.200 0.020 0.000 1.021 483 S CB 0.523 63.740 63.200 0.027 0.000 0.887 483 S HN 0.578 nan 8.310 nan 0.000 0.542 484 P HA -0.074 nan 4.420 nan 0.000 0.215 484 P C 1.661 178.964 177.300 0.004 0.000 1.153 484 P CA 1.988 65.093 63.100 0.008 0.000 0.853 484 P CB -0.249 31.454 31.700 0.005 0.000 0.788 485 A N -0.288 122.532 122.820 -0.000 0.000 1.902 485 A HA -0.089 4.231 4.320 0.000 0.000 0.217 485 A C 2.491 180.070 177.584 -0.008 0.000 1.181 485 A CA 2.110 54.139 52.037 -0.013 0.000 0.623 485 A CB -1.885 17.101 19.000 -0.023 0.000 0.818 485 A HN 0.276 nan 8.150 nan 0.000 0.443 486 G N -0.375 108.430 108.800 0.008 0.000 2.418 486 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 486 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 486 G C 1.681 176.597 174.900 0.027 0.000 1.158 486 G CA 1.096 46.209 45.100 0.021 0.000 0.771 486 G HN 0.569 nan 8.290 nan 0.000 0.545 487 K N 0.198 120.613 120.400 0.024 0.000 2.063 487 K HA -0.076 4.244 4.320 0.000 0.000 0.208 487 K C 2.446 179.064 176.600 0.030 0.000 1.048 487 K CA 1.350 57.653 56.287 0.027 0.000 0.928 487 K CB -0.140 32.373 32.500 0.022 0.000 0.713 487 K HN 0.253 nan 8.250 nan 0.000 0.442 488 K N 1.340 121.753 120.400 0.021 0.000 2.057 488 K HA -0.129 4.191 4.320 0.000 0.000 0.207 488 K C 2.152 178.774 176.600 0.037 0.000 1.049 488 K CA 0.946 57.246 56.287 0.022 0.000 0.931 488 K CB -0.072 32.431 32.500 0.006 0.000 0.714 488 K HN 0.102 nan 8.250 nan 0.000 0.440 489 L N 0.556 121.798 121.223 0.032 0.000 2.027 489 L HA -0.167 4.173 4.340 0.000 0.000 0.206 489 L C 2.048 178.986 176.870 0.114 0.000 1.074 489 L CA 1.102 55.980 54.840 0.064 0.000 0.745 489 L CB -0.144 41.933 42.059 0.030 0.000 0.898 489 L HN 0.016 nan 8.230 nan 0.000 0.433 490 V N -0.056 119.912 119.914 0.089 0.000 2.343 490 V HA -0.314 3.806 4.120 0.000 0.000 0.247 490 V C 2.471 178.620 176.094 0.092 0.000 1.051 490 V CA 2.037 64.393 62.300 0.094 0.000 1.036 490 V CB -0.672 31.193 31.823 0.070 0.000 0.654 490 V HN 0.546 nan 8.190 nan 0.000 0.451 491 Q N -0.072 119.771 119.800 0.072 0.000 2.096 491 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 491 Q C 2.415 178.458 176.000 0.071 0.000 0.982 491 Q CA 1.867 57.707 55.803 0.062 0.000 0.850 491 Q CB -0.450 28.315 28.738 0.044 0.000 0.901 491 Q HN 0.683 nan 8.270 nan 0.000 0.422 492 A N 0.766 123.638 122.820 0.086 0.000 1.902 492 A HA -0.147 4.173 4.320 0.000 0.000 0.217 492 A C 2.063 179.722 177.584 0.125 0.000 1.181 492 A CA 1.054 53.149 52.037 0.096 0.000 0.623 492 A CB -0.626 18.447 19.000 0.122 0.000 0.818 492 A HN 0.285 nan 8.150 nan 0.000 0.443 493 L N -1.077 120.252 121.223 0.177 0.000 2.046 493 L HA -0.137 4.203 4.340 0.000 0.000 0.208 493 L C 2.617 179.637 176.870 0.250 0.000 1.077 493 L CA 0.902 55.896 54.840 0.256 0.000 0.747 493 L CB -0.401 41.789 42.059 0.219 0.000 0.896 493 L HN 0.250 nan 8.230 nan 0.000 0.432 494 R N 0.362 120.954 120.500 0.154 0.000 2.285 494 R HA -0.117 4.224 4.340 0.000 0.000 0.213 494 R C 1.796 178.124 176.300 0.047 0.000 1.068 494 R CA 0.682 56.849 56.100 0.111 0.000 1.004 494 R CB -0.333 30.018 30.300 0.084 0.000 0.873 494 R HN 0.539 nan 8.270 nan 0.000 0.467 495 E N -0.078 120.138 120.200 0.026 0.000 2.208 495 E HA -0.122 4.228 4.350 0.000 0.000 0.193 495 E C 1.298 177.831 176.600 -0.111 0.000 0.988 495 E CA 0.718 57.101 56.400 -0.029 0.000 0.828 495 E CB 0.294 29.980 29.700 -0.023 0.000 0.763 495 E HN 0.190 nan 8.360 nan 0.000 0.478 496 Q N -1.256 118.428 119.800 -0.194 0.000 2.245 496 Q HA 0.152 4.492 4.340 0.000 0.000 0.250 496 Q C -0.494 175.038 176.000 -0.779 0.000 0.830 496 Q CA 0.259 55.755 55.803 -0.512 0.000 0.950 496 Q CB 0.973 29.270 28.738 -0.735 0.000 1.124 496 Q HN 0.106 nan 8.270 nan 0.000 0.502 497 F N 2.030 121.975 119.950 -0.007 0.000 2.430 497 F HA 0.436 4.963 4.527 0.000 0.000 0.362 497 F C -2.176 173.640 175.800 0.027 0.000 1.103 497 F CA -2.523 55.483 58.000 0.011 0.000 1.045 497 F CB 1.443 40.454 39.000 0.018 0.000 1.276 497 F HN -0.212 nan 8.300 nan 0.000 0.444 498 P HA 0.127 nan 4.420 nan 0.000 0.272 498 P C -2.356 175.018 177.300 0.124 0.000 1.230 498 P CA -0.938 62.219 63.100 0.095 0.000 0.788 498 P CB 0.010 31.739 31.700 0.048 0.000 0.949 499 P HA 0.025 nan 4.420 nan 0.000 0.269 499 P C -0.622 176.731 177.300 0.088 0.000 1.215 499 P CA -0.078 63.088 63.100 0.111 0.000 0.780 499 P CB 0.471 32.221 31.700 0.084 0.000 0.898 500 L N 2.527 123.808 121.223 0.097 0.000 2.375 500 L HA 0.140 4.480 4.340 0.000 0.000 0.276 500 L C 1.307 178.187 176.870 0.017 0.000 1.162 500 L CA 0.463 55.307 54.840 0.007 0.000 0.991 500 L CB -0.784 41.194 42.059 -0.135 0.000 1.315 500 L HN 0.321 nan 8.230 nan 0.000 0.431 501 E N 0.967 121.178 120.200 0.018 0.000 2.230 501 E HA 0.014 4.364 4.350 0.000 0.000 0.192 501 E C 0.238 176.850 176.600 0.019 0.000 0.987 501 E CA 0.544 56.958 56.400 0.024 0.000 0.841 501 E CB 0.401 30.115 29.700 0.023 0.000 0.783 501 E HN 0.592 nan 8.360 nan 0.000 0.481 502 T N 0.056 114.610 114.554 -0.000 0.000 2.894 502 T HA 0.111 4.461 4.350 0.000 0.000 0.309 502 T C -1.792 172.885 174.700 -0.038 0.000 1.208 502 T CA -1.011 61.087 62.100 -0.004 0.000 1.016 502 T CB 1.357 70.225 68.868 -0.000 0.000 1.192 502 T HN -0.225 nan 8.240 nan 0.000 0.491 503 D N 2.903 123.277 120.400 -0.043 0.000 2.493 503 D HA 0.305 4.945 4.640 0.000 0.000 0.240 503 D C 0.590 176.849 176.300 -0.069 0.000 1.142 503 D CA 0.617 54.571 54.000 -0.077 0.000 0.872 503 D CB 0.374 41.134 40.800 -0.066 0.000 1.173 503 D HN 0.655 nan 8.370 nan 0.000 0.467 504 R N 0.701 121.147 120.500 -0.089 0.000 2.734 504 R HA 0.650 4.990 4.340 0.000 0.000 0.271 504 R C -3.116 173.146 176.300 -0.062 0.000 1.021 504 R CA -1.746 54.318 56.100 -0.060 0.000 0.893 504 R CB 0.352 30.625 30.300 -0.044 0.000 1.244 504 R HN -0.011 nan 8.270 nan 0.000 0.464 505 P HA 0.153 nan 4.420 nan 0.000 0.271 505 P C -0.303 176.990 177.300 -0.013 0.000 1.226 505 P CA -0.259 62.825 63.100 -0.025 0.000 0.765 505 P CB 0.615 32.307 31.700 -0.013 0.000 0.835 506 L N 1.698 122.914 121.223 -0.011 0.000 2.664 506 L HA 0.173 4.513 4.340 0.000 0.000 0.233 506 L C 2.284 179.172 176.870 0.030 0.000 1.113 506 L CA 0.351 55.200 54.840 0.015 0.000 0.896 506 L CB -0.266 41.801 42.059 0.014 0.000 1.163 506 L HN 0.533 nan 8.230 nan 0.000 0.497 507 G N 0.208 109.019 108.800 0.019 0.000 2.491 507 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 507 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 507 G C 1.401 176.318 174.900 0.029 0.000 1.180 507 G CA 0.703 45.815 45.100 0.020 0.000 0.774 507 G HN 0.386 nan 8.290 nan 0.000 0.562 508 Q N -0.107 119.715 119.800 0.037 0.000 2.119 508 Q HA -0.074 4.267 4.340 0.000 0.000 0.201 508 Q C 2.498 178.551 176.000 0.089 0.000 0.972 508 Q CA 1.278 57.111 55.803 0.050 0.000 0.847 508 Q CB -0.120 28.644 28.738 0.043 0.000 0.903 508 Q HN 0.616 nan 8.270 nan 0.000 0.433 509 E N 0.637 120.908 120.200 0.119 0.000 2.072 509 E HA -0.143 4.207 4.350 0.000 0.000 0.191 509 E C 1.975 178.603 176.600 0.047 0.000 0.985 509 E CA 0.740 57.273 56.400 0.221 0.000 0.801 509 E CB -0.017 29.838 29.700 0.258 0.000 0.750 509 E HN 0.329 nan 8.360 nan 0.000 0.452 510 I N 1.060 121.627 120.570 -0.006 0.000 2.179 510 I HA -0.291 3.879 4.170 0.000 0.000 0.242 510 I C 2.541 178.629 176.117 -0.049 0.000 1.088 510 I CA 1.040 62.303 61.300 -0.063 0.000 1.357 510 I CB -0.322 37.665 38.000 -0.022 0.000 1.051 510 I HN 0.099 nan 8.210 nan 0.000 0.409 511 A N 0.697 123.517 122.820 -0.001 0.000 1.902 511 A HA -0.166 4.154 4.320 0.000 0.000 0.217 511 A C 2.537 180.134 177.584 0.022 0.000 1.181 511 A CA 1.913 53.955 52.037 0.007 0.000 0.623 511 A CB -0.852 18.160 19.000 0.021 0.000 0.818 511 A HN 0.441 nan 8.150 nan 0.000 0.443 512 A N -0.643 122.219 122.820 0.070 0.000 1.902 512 A HA -0.014 4.306 4.320 0.000 0.000 0.217 512 A C 2.129 179.792 177.584 0.131 0.000 1.181 512 A CA 1.728 53.839 52.037 0.124 0.000 0.623 512 A CB -0.614 18.513 19.000 0.211 0.000 0.818 512 A HN 0.647 nan 8.150 nan 0.000 0.443 513 L N -0.195 121.057 121.223 0.049 0.000 2.056 513 L HA -0.026 4.314 4.340 0.000 0.000 0.207 513 L C 2.675 179.460 176.870 -0.141 0.000 1.078 513 L CA 2.060 56.830 54.840 -0.116 0.000 0.749 513 L CB -0.883 40.851 42.059 -0.541 0.000 0.901 513 L HN 0.352 nan 8.230 nan 0.000 0.433 514 A N -1.548 121.187 122.820 -0.141 0.000 1.908 514 A HA -0.245 4.075 4.320 0.000 0.000 0.218 514 A C 2.279 179.798 177.584 -0.107 0.000 1.181 514 A CA 2.423 54.367 52.037 -0.154 0.000 0.627 514 A CB -1.264 17.678 19.000 -0.097 0.000 0.818 514 A HN 0.505 nan 8.150 nan 0.000 0.445 515 T N -1.410 113.125 114.554 -0.031 0.000 2.720 515 T HA -0.187 4.163 4.350 0.000 0.000 0.268 515 T C 1.869 176.571 174.700 0.003 0.000 1.037 515 T CA 1.969 64.070 62.100 0.002 0.000 1.144 515 T CB -0.417 68.473 68.868 0.037 0.000 0.864 515 T HN 0.803 nan 8.240 nan 0.000 0.444 516 H N 1.178 120.202 119.070 -0.076 0.000 2.321 516 H HA 0.082 4.638 4.556 0.000 0.000 0.300 516 H C 2.025 177.267 175.328 -0.145 0.000 1.087 516 H CA 1.300 57.304 56.048 -0.073 0.000 1.319 516 H CB -0.556 29.185 29.762 -0.035 0.000 1.379 516 H HN 0.247 nan 8.280 nan 0.000 0.501 517 L N -0.073 120.928 121.223 -0.370 0.000 2.127 517 L HA -0.188 4.152 4.340 0.000 0.000 0.211 517 L C 2.378 179.062 176.870 -0.311 0.000 1.089 517 L CA 1.064 55.546 54.840 -0.597 0.000 0.757 517 L CB -0.526 41.027 42.059 -0.844 0.000 0.899 517 L HN 0.335 nan 8.230 nan 0.000 0.434 518 L N -0.769 120.325 121.223 -0.216 0.000 2.291 518 L HA -0.165 4.175 4.340 0.000 0.000 0.214 518 L C 2.272 179.098 176.870 -0.075 0.000 1.120 518 L CA 1.025 55.808 54.840 -0.094 0.000 0.799 518 L CB -0.207 41.833 42.059 -0.031 0.000 0.925 518 L HN 0.395 nan 8.230 nan 0.000 0.446 519 Q N -1.517 118.153 119.800 -0.216 0.000 2.316 519 Q HA 0.190 4.530 4.340 0.000 0.000 0.235 519 Q C 0.011 175.595 176.000 -0.692 0.000 0.863 519 Q CA 0.093 55.738 55.803 -0.264 0.000 0.939 519 Q CB 0.962 29.655 28.738 -0.075 0.000 1.108 519 Q HN 0.449 nan 8.270 nan 0.000 0.522 520 Q N 0.027 119.384 119.800 -0.738 0.000 2.379 520 Q HA 0.476 4.816 4.340 0.000 0.000 0.278 520 Q C -1.239 174.662 176.000 -0.165 0.000 1.068 520 Q CA -0.438 55.013 55.803 -0.588 0.000 0.816 520 Q CB 2.671 31.187 28.738 -0.370 0.000 1.387 520 Q HN -0.064 nan 8.270 nan 0.000 0.413 521 S N 1.996 117.689 115.700 -0.011 0.000 2.690 521 S HA 0.551 5.021 4.470 0.000 0.000 0.291 521 S C -2.394 172.041 174.600 -0.276 0.000 1.138 521 S CA -1.153 57.003 58.200 -0.073 0.000 1.013 521 S CB 0.915 64.100 63.200 -0.025 0.000 1.053 521 S HN 0.424 nan 8.310 nan 0.000 0.539 522 P HA 0.281 nan 4.420 nan 0.000 0.274 522 P C -0.717 176.389 177.300 -0.322 0.000 1.470 522 P CA -0.180 62.536 63.100 -0.641 0.000 1.001 522 P CB 0.083 31.062 31.700 -1.201 0.000 1.332 523 V N 0.000 119.821 119.914 -0.155 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.242 62.300 -0.097 0.000 1.235 523 V CB 0.000 31.781 31.823 -0.069 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556