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 2g39_1_A DATA FIRST_RESID 3 DATA SEQUENCE RDRVRLPSLL DKVXSAAEAA DLIQDGXTVG XSGFTRAGEA KAVPQALAXR DATA SEQUENCE AKERPLRISL XTGASLGNDL DKQLTEAGVL ARRXPFQVDS TLRKAINAGE DATA SEQUENCE VXFIDQHLSE TVEQLRNHQL KLPDIAVIEA AAITEQGHIV PTTSVGNSAS DATA SEQUENCE FAIFAKQVIV EINLAHSTNL EGLHDIYIPT YRPTRTPIPL TRVDDRIGST DATA SEQUENCE AIPIPPEKIV AIVINDQPDS PSTVLPPDGE TQAIANHLID FFKREVDAGR DATA SEQUENCE XSNSLGPLQA GIGSIANAVX CGLIESPFEN LTXYSEVLQD STFDLIDAGK DATA SEQUENCE LRFASGSSIT LSPRRNADVF GNLERYKDKL VLRPQEISNH PEVVRRLGII DATA SEQUENCE GINTALEFDI YGNVNSTHVG GTKXXNGIGG SGDFARNAHL AIFVTKSIAK DATA SEQUENCE GGNISSVVPX VSHVDHTEHD VDILVTEQGL ADLRGLAPRE RARVIIENCV DATA SEQUENCE HPSYQAPLLD YFEAACAKGG HTPHLLREAL AWHLNLEERG HXLAG 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.307 176.300 0.011 0.000 0.893 3 R CA 0.000 56.106 56.100 0.009 0.000 0.921 3 R CB 0.000 30.305 30.300 0.008 0.000 0.687 4 D N 0.621 121.029 120.400 0.013 0.000 2.277 4 D HA 0.029 4.669 4.640 -0.001 0.000 0.208 4 D C 1.700 178.012 176.300 0.020 0.000 0.962 4 D CA 0.860 54.870 54.000 0.017 0.000 0.865 4 D CB 0.311 41.123 40.800 0.019 0.000 0.939 4 D HN 0.421 nan 8.370 nan 0.000 0.510 5 R N -0.139 120.373 120.500 0.019 0.000 2.146 5 R HA 0.178 4.518 4.340 -0.001 0.000 0.206 5 R C 0.396 176.707 176.300 0.020 0.000 1.049 5 R CA 0.277 56.390 56.100 0.022 0.000 1.029 5 R CB -0.017 30.297 30.300 0.023 0.000 0.949 5 R HN -0.007 nan 8.270 nan 0.000 0.471 6 V N 3.698 123.621 119.914 0.016 0.000 2.257 6 V HA 0.311 4.431 4.120 -0.001 0.000 0.269 6 V C 0.925 177.025 176.094 0.009 0.000 1.040 6 V CA -0.357 61.952 62.300 0.014 0.000 0.813 6 V CB 1.193 33.024 31.823 0.013 0.000 1.065 6 V HN 0.153 nan 8.190 nan 0.000 0.457 7 R N 2.466 122.969 120.500 0.006 0.000 2.317 7 R HA 0.215 4.554 4.340 -0.001 0.000 0.208 7 R C 0.061 176.357 176.300 -0.007 0.000 0.914 7 R CA -0.091 56.009 56.100 -0.000 0.000 1.060 7 R CB 0.385 30.683 30.300 -0.002 0.000 1.015 7 R HN 0.462 nan 8.270 nan 0.000 0.498 8 L N 1.624 122.844 121.223 -0.005 0.000 2.313 8 L HA 0.366 4.706 4.340 -0.001 0.000 0.273 8 L C -2.255 174.615 176.870 0.001 0.000 1.028 8 L CA -2.526 52.310 54.840 -0.006 0.000 0.871 8 L CB 1.651 43.706 42.059 -0.008 0.000 1.242 8 L HN -0.203 nan 8.230 nan 0.000 0.434 9 P HA -0.130 nan 4.420 nan 0.000 0.218 9 P C 1.508 178.811 177.300 0.005 0.000 1.148 9 P CA 1.544 64.645 63.100 0.003 0.000 0.822 9 P CB 0.247 31.948 31.700 0.002 0.000 0.784 10 S N -0.710 114.993 115.700 0.004 0.000 2.442 10 S HA -0.113 4.356 4.470 -0.001 0.000 0.236 10 S C 1.849 176.455 174.600 0.009 0.000 1.007 10 S CA 0.916 59.120 58.200 0.006 0.000 0.965 10 S CB -1.613 61.591 63.200 0.006 0.000 0.773 10 S HN 0.109 nan 8.310 nan 0.000 0.504 11 L N 0.583 121.812 121.223 0.010 0.000 2.362 11 L HA 0.069 4.409 4.340 -0.001 0.000 0.219 11 L C 2.199 179.076 176.870 0.012 0.000 1.134 11 L CA 0.567 55.415 54.840 0.013 0.000 0.807 11 L CB -0.570 41.499 42.059 0.016 0.000 0.927 11 L HN 0.340 nan 8.230 nan 0.000 0.447 12 L N 0.348 121.577 121.223 0.010 0.000 2.261 12 L HA -0.235 4.104 4.340 -0.001 0.000 0.216 12 L C 2.213 179.089 176.870 0.009 0.000 1.114 12 L CA 1.136 55.982 54.840 0.010 0.000 0.777 12 L CB -0.679 41.385 42.059 0.008 0.000 0.910 12 L HN 0.461 nan 8.230 nan 0.000 0.440 13 D N -0.477 119.928 120.400 0.009 0.000 2.350 13 D HA -0.190 4.450 4.640 -0.001 0.000 0.216 13 D C 1.567 177.873 176.300 0.010 0.000 0.968 13 D CA 0.958 54.963 54.000 0.009 0.000 0.894 13 D CB -0.161 40.644 40.800 0.008 0.000 0.909 13 D HN 0.165 nan 8.370 nan 0.000 0.520 14 K N 0.368 120.775 120.400 0.012 0.000 2.374 14 K HA 0.179 4.499 4.320 -0.001 0.000 0.196 14 K C 0.640 177.247 176.600 0.013 0.000 1.023 14 K CA -0.233 56.062 56.287 0.013 0.000 1.103 14 K CB 0.773 33.282 32.500 0.015 0.000 0.848 14 K HN 0.125 nan 8.250 nan 0.000 0.528 18 A N 1.878 124.703 122.820 0.008 0.000 1.917 18 A HA 0.180 4.500 4.320 -0.001 0.000 0.219 18 A C 2.354 179.942 177.584 0.007 0.000 1.182 18 A CA 2.658 54.700 52.037 0.009 0.000 0.633 18 A CB -1.630 17.375 19.000 0.009 0.000 0.819 18 A HN 1.873 nan 8.150 nan 0.000 0.448 19 A N -0.660 122.163 122.820 0.005 0.000 1.877 19 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 19 A C 2.064 179.651 177.584 0.005 0.000 1.186 19 A CA 1.822 53.861 52.037 0.004 0.000 0.620 19 A CB -0.579 18.423 19.000 0.003 0.000 0.822 19 A HN 0.674 nan 8.150 nan 0.000 0.443 20 E N -0.218 119.985 120.200 0.005 0.000 2.077 20 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 20 E C 2.160 178.764 176.600 0.006 0.000 0.989 20 E CA 1.020 57.423 56.400 0.005 0.000 0.800 20 E CB -0.244 29.460 29.700 0.006 0.000 0.746 20 E HN 0.540 nan 8.360 nan 0.000 0.452 21 A N 1.172 123.996 122.820 0.008 0.000 1.902 21 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 21 A C 2.381 179.969 177.584 0.007 0.000 1.181 21 A CA 1.808 53.850 52.037 0.009 0.000 0.623 21 A CB -0.739 18.268 19.000 0.011 0.000 0.818 21 A HN 0.403 nan 8.150 nan 0.000 0.443 22 A N -0.397 122.427 122.820 0.006 0.000 2.015 22 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 22 A C 1.736 179.322 177.584 0.003 0.000 1.163 22 A CA 1.930 53.970 52.037 0.004 0.000 0.646 22 A CB -0.614 18.388 19.000 0.004 0.000 0.806 22 A HN 0.488 nan 8.150 nan 0.000 0.448 23 D N -0.294 120.108 120.400 0.003 0.000 2.351 23 D HA -0.049 4.591 4.640 -0.001 0.000 0.216 23 D C 1.491 177.792 176.300 0.002 0.000 0.968 23 D CA 0.577 54.578 54.000 0.002 0.000 0.899 23 D CB -0.211 40.590 40.800 0.003 0.000 0.907 23 D HN 0.485 nan 8.370 nan 0.000 0.514 24 L N -0.254 120.971 121.223 0.003 0.000 2.478 24 L HA 0.117 4.457 4.340 -0.001 0.000 0.223 24 L C 0.566 177.436 176.870 0.001 0.000 1.140 24 L CA 0.194 55.036 54.840 0.003 0.000 0.842 24 L CB -0.004 42.059 42.059 0.006 0.000 0.953 24 L HN 0.010 nan 8.230 nan 0.000 0.452 25 I N 0.370 120.939 120.570 -0.001 0.000 2.321 25 I HA 0.203 4.372 4.170 -0.001 0.000 0.291 25 I C -0.134 175.980 176.117 -0.004 0.000 0.998 25 I CA -0.227 61.071 61.300 -0.004 0.000 1.227 25 I CB 1.095 39.092 38.000 -0.006 0.000 1.368 25 I HN 0.092 nan 8.210 nan 0.000 0.466 26 Q N 3.371 123.168 119.800 -0.006 0.000 2.528 26 Q HA 0.299 4.638 4.340 -0.001 0.000 0.289 26 Q C -1.167 174.829 176.000 -0.007 0.000 1.091 26 Q CA -1.024 54.776 55.803 -0.005 0.000 0.797 26 Q CB 1.982 30.718 28.738 -0.003 0.000 1.466 26 Q HN 0.527 nan 8.270 nan 0.000 0.436 27 D N -0.101 120.295 120.400 -0.006 0.000 2.533 27 D HA 0.341 4.980 4.640 -0.001 0.000 0.236 27 D C 0.433 176.728 176.300 -0.008 0.000 1.137 27 D CA 2.308 56.304 54.000 -0.007 0.000 0.867 27 D CB 0.270 41.066 40.800 -0.006 0.000 1.170 27 D HN 0.701 nan 8.370 nan 0.000 0.474 31 V N 2.542 122.393 119.914 -0.105 0.000 2.459 31 V HA 0.871 4.990 4.120 -0.001 0.000 0.295 31 V C 0.840 176.779 176.094 -0.259 0.000 1.029 31 V CA -0.311 61.913 62.300 -0.128 0.000 0.874 31 V CB 1.817 33.595 31.823 -0.076 0.000 0.985 31 V HN 1.069 nan 8.190 nan 0.000 0.438 35 G N 0.363 109.274 108.800 0.184 0.000 2.621 35 G HA2 0.409 4.369 3.960 -0.001 0.000 0.355 35 G HA3 0.409 4.369 3.960 -0.001 0.000 0.355 35 G C -1.495 173.547 174.900 0.237 0.000 1.509 35 G CA -0.722 44.485 45.100 0.178 0.000 1.000 35 G HN 1.589 nan 8.290 nan 0.000 0.646 36 F N 3.533 123.533 119.950 0.083 0.000 2.730 36 F HA 0.488 5.015 4.527 -0.001 0.000 0.335 36 F C 1.054 176.903 175.800 0.081 0.000 1.212 36 F CA 0.504 58.553 58.000 0.082 0.000 1.016 36 F CB 1.809 40.839 39.000 0.049 0.000 1.290 36 F HN 1.565 nan 8.300 nan 0.000 0.495 37 T N 2.610 117.250 114.554 0.144 0.000 3.720 37 T HA -0.302 4.048 4.350 -0.001 0.000 0.381 37 T C 0.544 175.356 174.700 0.185 0.000 0.763 37 T CA 1.499 63.712 62.100 0.189 0.000 1.957 37 T CB -1.573 67.443 68.868 0.247 0.000 1.767 37 T HN 1.123 nan 8.240 nan 0.000 0.743 38 R N -2.922 117.666 120.500 0.146 0.000 3.603 38 R HA -0.162 4.178 4.340 -0.001 0.000 0.479 38 R C 0.581 176.955 176.300 0.123 0.000 0.745 38 R CA 1.484 57.656 56.100 0.119 0.000 1.476 38 R CB -2.195 28.167 30.300 0.103 0.000 2.147 38 R HN 1.456 nan 8.270 nan 0.000 0.447 39 A N 0.593 123.503 122.820 0.150 0.000 2.290 39 A HA 0.585 4.904 4.320 -0.001 0.000 0.310 39 A C 1.301 178.942 177.584 0.095 0.000 1.202 39 A CA 0.492 52.598 52.037 0.114 0.000 0.837 39 A CB 1.225 20.295 19.000 0.118 0.000 1.139 39 A HN 0.841 nan 8.150 nan 0.000 0.509 40 G N 1.455 110.273 108.800 0.029 0.000 2.143 40 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.248 40 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.248 40 G C 0.127 175.057 174.900 0.050 0.000 0.991 40 G CA 0.466 45.558 45.100 -0.012 0.000 0.689 40 G HN 1.267 nan 8.290 nan 0.000 0.522 41 E N 0.300 120.551 120.200 0.085 0.000 2.343 41 E HA 0.646 4.995 4.350 -0.001 0.000 0.269 41 E C 0.639 177.286 176.600 0.078 0.000 1.047 41 E CA -0.278 56.178 56.400 0.092 0.000 0.874 41 E CB 1.320 31.076 29.700 0.093 0.000 1.033 41 E HN 0.949 nan 8.360 nan 0.000 0.409 42 A N 2.629 125.494 122.820 0.075 0.000 2.466 42 A HA 0.102 4.422 4.320 -0.001 0.000 0.238 42 A C 0.356 177.972 177.584 0.052 0.000 1.074 42 A CA 0.063 52.136 52.037 0.060 0.000 0.774 42 A CB 0.399 19.433 19.000 0.056 0.000 1.015 42 A HN 0.828 nan 8.150 nan 0.000 0.498 43 K N 0.969 121.395 120.400 0.042 0.000 2.606 43 K HA 0.243 4.562 4.320 -0.001 0.000 0.199 43 K C 2.037 178.651 176.600 0.023 0.000 1.403 43 K CA 0.624 56.931 56.287 0.033 0.000 1.011 43 K CB 0.105 32.625 32.500 0.032 0.000 1.623 43 K HN 0.630 nan 8.250 nan 0.000 0.512 44 A N 1.460 124.292 122.820 0.021 0.000 1.898 44 A HA -0.063 4.256 4.320 -0.001 0.000 0.216 44 A C 2.263 179.855 177.584 0.014 0.000 1.181 44 A CA 1.314 53.360 52.037 0.015 0.000 0.620 44 A CB -0.662 18.346 19.000 0.013 0.000 0.819 44 A HN 0.033 nan 8.150 nan 0.000 0.442 45 V N 1.254 121.179 119.914 0.017 0.000 2.237 45 V HA -0.157 3.962 4.120 -0.001 0.000 0.245 45 V C -0.037 176.064 176.094 0.012 0.000 1.046 45 V CA 2.477 64.785 62.300 0.015 0.000 1.007 45 V CB -1.556 30.277 31.823 0.017 0.000 0.638 45 V HN 0.462 nan 8.190 nan 0.000 0.445 46 P HA -0.194 nan 4.420 nan 0.000 0.217 46 P C 1.566 178.871 177.300 0.008 0.000 1.150 46 P CA 1.469 64.576 63.100 0.011 0.000 0.832 46 P CB -0.020 31.690 31.700 0.017 0.000 0.787 47 Q N 0.101 119.907 119.800 0.009 0.000 2.061 47 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 47 Q C 2.483 178.485 176.000 0.003 0.000 0.984 47 Q CA 2.152 57.958 55.803 0.005 0.000 0.846 47 Q CB -0.858 27.883 28.738 0.006 0.000 0.902 47 Q HN 0.208 nan 8.270 nan 0.000 0.421 48 A N 0.501 123.324 122.820 0.004 0.000 1.902 48 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 48 A C 2.043 179.629 177.584 0.002 0.000 1.181 48 A CA 1.177 53.216 52.037 0.003 0.000 0.623 48 A CB -0.662 18.340 19.000 0.005 0.000 0.818 48 A HN 0.352 nan 8.150 nan 0.000 0.443 49 L N -0.147 121.077 121.223 0.002 0.000 2.012 49 L HA 0.028 4.368 4.340 -0.001 0.000 0.210 49 L C 1.826 178.695 176.870 -0.002 0.000 1.073 49 L CA 1.505 56.345 54.840 0.000 0.000 0.748 49 L CB -0.883 41.176 42.059 0.000 0.000 0.891 49 L HN 0.420 nan 8.230 nan 0.000 0.431 53 A N 1.692 124.510 122.820 -0.004 0.000 2.067 53 A HA 0.021 4.341 4.320 -0.001 0.000 0.219 53 A C 1.433 179.014 177.584 -0.005 0.000 1.158 53 A CA 1.267 53.301 52.037 -0.005 0.000 0.661 53 A CB -0.357 18.640 19.000 -0.006 0.000 0.801 53 A HN 0.329 nan 8.150 nan 0.000 0.452 54 K N -0.102 120.294 120.400 -0.005 0.000 2.288 54 K HA -0.099 4.221 4.320 -0.001 0.000 0.201 54 K C 1.576 178.173 176.600 -0.005 0.000 1.048 54 K CA 1.317 57.601 56.287 -0.006 0.000 0.956 54 K CB -0.036 32.460 32.500 -0.006 0.000 0.746 54 K HN 0.682 nan 8.250 nan 0.000 0.461 55 E N 0.908 121.106 120.200 -0.004 0.000 2.042 55 E HA -0.102 4.248 4.350 -0.001 0.000 0.189 55 E C 0.450 177.048 176.600 -0.003 0.000 0.974 55 E CA 0.693 57.091 56.400 -0.003 0.000 0.806 55 E CB 0.105 29.803 29.700 -0.003 0.000 0.769 55 E HN 0.146 nan 8.360 nan 0.000 0.451 56 R N 1.094 121.592 120.500 -0.003 0.000 2.515 56 R HA 0.348 4.688 4.340 -0.001 0.000 0.291 56 R C -2.995 173.302 176.300 -0.004 0.000 1.046 56 R CA -2.050 54.047 56.100 -0.004 0.000 0.914 56 R CB 1.099 31.397 30.300 -0.003 0.000 1.191 56 R HN -0.168 nan 8.270 nan 0.000 0.435 57 P HA 0.416 nan 4.420 nan 0.000 0.278 57 P C -1.106 176.191 177.300 -0.005 0.000 1.258 57 P CA -0.531 62.566 63.100 -0.005 0.000 0.811 57 P CB 1.213 32.910 31.700 -0.006 0.000 1.063 58 L N -1.609 119.610 121.223 -0.006 0.000 2.801 58 L HA 0.743 5.082 4.340 -0.001 0.000 0.264 58 L C -0.956 175.910 176.870 -0.007 0.000 1.086 58 L CA -0.984 53.852 54.840 -0.006 0.000 0.920 58 L CB 0.700 42.755 42.059 -0.006 0.000 1.529 58 L HN 0.184 nan 8.230 nan 0.000 0.399 59 R N 1.252 121.748 120.500 -0.008 0.000 2.628 59 R HA 0.854 5.194 4.340 -0.001 0.000 0.288 59 R C -0.969 175.325 176.300 -0.010 0.000 0.980 59 R CA -0.426 55.669 56.100 -0.008 0.000 0.891 59 R CB 2.372 32.667 30.300 -0.007 0.000 1.188 59 R HN 0.984 nan 8.270 nan 0.000 0.450 60 I N -2.465 118.098 120.570 -0.011 0.000 3.108 60 I HA 0.583 4.753 4.170 -0.001 0.000 0.312 60 I C -0.224 175.883 176.117 -0.016 0.000 1.095 60 I CA -0.868 60.423 61.300 -0.016 0.000 1.000 60 I CB 2.381 40.369 38.000 -0.020 0.000 1.229 60 I HN 0.348 nan 8.210 nan 0.000 0.454 61 S N 2.920 118.606 115.700 -0.023 0.000 2.429 61 S HA 0.642 5.111 4.470 -0.001 0.000 0.302 61 S C -0.683 173.894 174.600 -0.039 0.000 1.115 61 S CA -0.516 57.670 58.200 -0.024 0.000 1.095 61 S CB 0.772 63.955 63.200 -0.029 0.000 0.987 61 S HN 0.549 nan 8.310 nan 0.000 0.474 65 G N 0.596 109.581 108.800 0.309 0.000 2.454 65 G HA2 0.445 4.404 3.960 -0.001 0.000 0.214 65 G HA3 0.445 4.404 3.960 -0.001 0.000 0.214 65 G C 0.721 175.601 174.900 -0.033 0.000 1.217 65 G CA 1.463 46.709 45.100 0.244 0.000 0.799 65 G HN 1.434 nan 8.290 nan 0.000 0.538 66 A N -0.912 121.734 122.820 -0.289 0.000 3.972 66 A HA 0.671 4.991 4.320 -0.001 0.000 0.166 66 A C 0.458 178.035 177.584 -0.013 0.000 0.722 66 A CA 0.700 52.515 52.037 -0.369 0.000 1.045 66 A CB -0.205 17.999 19.000 -1.328 0.000 1.949 66 A HN 0.966 nan 8.150 nan 0.000 0.853 67 S N -0.238 115.521 115.700 0.099 0.000 2.603 67 S HA 0.671 5.141 4.470 -0.001 0.000 0.268 67 S C -0.284 174.364 174.600 0.079 0.000 1.317 67 S CA -0.292 57.992 58.200 0.140 0.000 1.012 67 S CB 0.338 63.663 63.200 0.208 0.000 0.926 67 S HN 0.591 nan 8.310 nan 0.000 0.539 68 L N 1.023 122.281 121.223 0.059 0.000 2.330 68 L HA 0.710 5.050 4.340 -0.001 0.000 0.271 68 L C 0.961 177.859 176.870 0.047 0.000 1.013 68 L CA -0.839 54.036 54.840 0.058 0.000 0.816 68 L CB 1.735 43.819 42.059 0.043 0.000 1.287 68 L HN 0.941 nan 8.230 nan 0.000 0.435 69 G N -0.705 108.127 108.800 0.053 0.000 2.857 69 G HA2 0.259 4.219 3.960 -0.001 0.000 0.217 69 G HA3 0.259 4.219 3.960 -0.001 0.000 0.217 69 G C 0.030 174.947 174.900 0.029 0.000 1.357 69 G CA -0.605 44.520 45.100 0.042 0.000 1.033 69 G HN 0.839 nan 8.290 nan 0.000 0.571 70 N N -0.048 118.666 118.700 0.025 0.000 2.708 70 N HA -0.176 4.563 4.740 -0.001 0.000 0.251 70 N C -0.257 175.258 175.510 0.008 0.000 1.123 70 N CA 0.820 53.880 53.050 0.017 0.000 0.739 70 N CB -0.525 37.975 38.487 0.021 0.000 1.113 70 N HN 0.573 nan 8.380 nan 0.000 0.561 71 D N -1.883 118.519 120.400 0.004 0.000 2.811 71 D HA -0.233 4.407 4.640 -0.001 0.000 0.231 71 D C 0.995 177.291 176.300 -0.007 0.000 1.157 71 D CA 1.034 55.031 54.000 -0.006 0.000 0.716 71 D CB -1.083 39.712 40.800 -0.008 0.000 1.077 71 D HN 0.510 nan 8.370 nan 0.000 0.428 72 L N 0.010 121.233 121.223 0.000 0.000 2.027 72 L HA -0.152 4.187 4.340 -0.001 0.000 0.206 72 L C 2.312 179.177 176.870 -0.008 0.000 1.074 72 L CA 1.167 56.009 54.840 0.002 0.000 0.745 72 L CB -0.230 41.838 42.059 0.014 0.000 0.898 72 L HN -0.039 nan 8.230 nan 0.000 0.433 73 D N 0.215 120.605 120.400 -0.016 0.000 2.123 73 D HA -0.221 4.419 4.640 -0.001 0.000 0.196 73 D C 2.081 178.357 176.300 -0.041 0.000 0.992 73 D CA 1.243 55.223 54.000 -0.034 0.000 0.833 73 D CB 0.001 40.767 40.800 -0.058 0.000 0.954 73 D HN 0.233 nan 8.370 nan 0.000 0.455 74 K N 0.723 121.099 120.400 -0.039 0.000 2.020 74 K HA -0.222 4.098 4.320 -0.001 0.000 0.212 74 K C 2.084 178.667 176.600 -0.028 0.000 1.050 74 K CA 1.481 57.745 56.287 -0.037 0.000 0.929 74 K CB 0.016 32.497 32.500 -0.033 0.000 0.714 74 K HN 0.127 nan 8.250 nan 0.000 0.443 75 Q N 0.348 120.136 119.800 -0.020 0.000 2.079 75 Q HA -0.117 4.222 4.340 -0.001 0.000 0.200 75 Q C 2.323 178.314 176.000 -0.015 0.000 0.974 75 Q CA 1.544 57.338 55.803 -0.015 0.000 0.840 75 Q CB -0.088 28.645 28.738 -0.009 0.000 0.898 75 Q HN 0.348 nan 8.270 nan 0.000 0.430 76 L N -0.006 121.208 121.223 -0.015 0.000 2.046 76 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 76 L C 2.440 179.299 176.870 -0.019 0.000 1.077 76 L CA 1.284 56.115 54.840 -0.014 0.000 0.747 76 L CB -0.675 41.377 42.059 -0.012 0.000 0.896 76 L HN 0.263 nan 8.230 nan 0.000 0.432 77 T N -0.720 113.818 114.554 -0.027 0.000 2.674 77 T HA -0.189 4.161 4.350 -0.001 0.000 0.265 77 T C 1.723 176.407 174.700 -0.027 0.000 1.039 77 T CA 1.405 63.486 62.100 -0.032 0.000 1.150 77 T CB -0.205 68.635 68.868 -0.047 0.000 0.864 77 T HN 0.388 nan 8.240 nan 0.000 0.427 78 E N 1.182 121.367 120.200 -0.025 0.000 2.153 78 E HA -0.057 4.293 4.350 -0.001 0.000 0.194 78 E C 2.192 178.782 176.600 -0.017 0.000 0.988 78 E CA 0.965 57.352 56.400 -0.021 0.000 0.811 78 E CB -0.155 29.533 29.700 -0.020 0.000 0.746 78 E HN 0.460 nan 8.360 nan 0.000 0.466 79 A N 0.357 123.168 122.820 -0.015 0.000 2.238 79 A HA 0.244 4.563 4.320 -0.001 0.000 0.208 79 A C 1.669 179.246 177.584 -0.012 0.000 1.177 79 A CA 0.739 52.769 52.037 -0.012 0.000 0.804 79 A CB -0.304 18.690 19.000 -0.010 0.000 0.823 79 A HN 0.316 nan 8.150 nan 0.000 0.482 80 G N -1.554 107.238 108.800 -0.014 0.000 2.160 80 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.251 80 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.251 80 G C 0.814 175.707 174.900 -0.011 0.000 1.008 80 G CA 0.485 45.577 45.100 -0.013 0.000 0.724 80 G HN 0.652 nan 8.290 nan 0.000 0.514 81 V N -0.043 119.864 119.914 -0.011 0.000 2.591 81 V HA 0.144 4.264 4.120 -0.001 0.000 0.249 81 V C 1.675 177.764 176.094 -0.009 0.000 1.053 81 V CA 1.530 63.824 62.300 -0.010 0.000 1.068 81 V CB -0.126 31.692 31.823 -0.009 0.000 0.689 81 V HN 0.448 nan 8.190 nan 0.000 0.462 82 L N 0.322 121.539 121.223 -0.010 0.000 2.261 82 L HA 0.461 4.801 4.340 -0.001 0.000 0.289 82 L C 1.241 178.110 176.870 -0.003 0.000 1.059 82 L CA -0.062 54.775 54.840 -0.006 0.000 0.816 82 L CB 1.039 43.094 42.059 -0.006 0.000 1.191 82 L HN 0.107 nan 8.230 nan 0.000 0.431 83 A N 4.190 127.010 122.820 -0.000 0.000 1.975 83 A HA 0.103 4.423 4.320 -0.001 0.000 0.215 83 A C 1.034 178.626 177.584 0.012 0.000 1.170 83 A CA 0.694 52.732 52.037 0.002 0.000 0.656 83 A CB 0.165 19.164 19.000 -0.002 0.000 0.821 83 A HN 0.737 nan 8.150 nan 0.000 0.449 84 R N -1.466 119.044 120.500 0.018 0.000 2.566 84 R HA 0.572 4.912 4.340 -0.001 0.000 0.271 84 R C -1.209 175.122 176.300 0.052 0.000 1.071 84 R CA -0.655 55.464 56.100 0.033 0.000 0.915 84 R CB 1.378 31.684 30.300 0.011 0.000 1.228 84 R HN 0.324 nan 8.270 nan 0.000 0.449 88 F N 1.997 122.119 119.950 0.286 0.000 2.669 88 F HA 0.510 5.037 4.527 -0.001 0.000 0.315 88 F C -2.031 173.832 175.800 0.104 0.000 1.109 88 F CA -0.190 57.958 58.000 0.246 0.000 1.028 88 F CB 1.911 40.936 39.000 0.042 0.000 1.287 88 F HN -0.067 nan 8.300 nan 0.000 0.452 89 Q N 3.505 123.036 119.800 -0.448 0.000 2.377 89 Q HA 0.758 5.098 4.340 -0.001 0.000 0.279 89 Q C -2.237 173.466 176.000 -0.494 0.000 1.049 89 Q CA -1.050 54.542 55.803 -0.351 0.000 0.825 89 Q CB 2.411 30.923 28.738 -0.376 0.000 1.401 89 Q HN 0.389 nan 8.270 nan 0.000 0.404 90 V N 2.097 121.861 119.914 -0.250 0.000 2.385 90 V HA 0.631 4.751 4.120 -0.001 0.000 0.277 90 V C -1.289 174.730 176.094 -0.125 0.000 1.012 90 V CA -0.313 61.874 62.300 -0.188 0.000 0.832 90 V CB 1.266 33.056 31.823 -0.054 0.000 1.028 90 V HN 0.899 nan 8.190 nan 0.000 0.436 91 D N 2.583 122.890 120.400 -0.155 0.000 2.521 91 D HA 0.065 4.704 4.640 -0.001 0.000 0.195 91 D C 0.887 177.110 176.300 -0.129 0.000 1.286 91 D CA 0.425 54.354 54.000 -0.118 0.000 0.854 91 D CB 2.353 43.085 40.800 -0.114 0.000 1.723 91 D HN 0.449 nan 8.370 nan 0.000 0.550 92 S N 1.512 117.154 115.700 -0.096 0.000 2.406 92 S HA -0.113 4.357 4.470 -0.001 0.000 0.228 92 S C 1.624 176.168 174.600 -0.092 0.000 1.020 92 S CA 1.372 59.516 58.200 -0.094 0.000 0.965 92 S CB -0.038 63.122 63.200 -0.068 0.000 0.798 92 S HN 0.450 nan 8.310 nan 0.000 0.488 93 T N 3.029 117.535 114.554 -0.081 0.000 2.701 93 T HA 0.055 4.404 4.350 -0.001 0.000 0.263 93 T C 1.689 176.334 174.700 -0.092 0.000 1.040 93 T CA 1.288 63.344 62.100 -0.073 0.000 1.147 93 T CB -0.624 68.210 68.868 -0.056 0.000 0.865 93 T HN 0.298 nan 8.240 nan 0.000 0.426 94 L N 1.752 122.908 121.223 -0.111 0.000 2.042 94 L HA -0.027 4.313 4.340 -0.001 0.000 0.210 94 L C 2.494 179.252 176.870 -0.187 0.000 1.076 94 L CA 1.797 56.552 54.840 -0.143 0.000 0.749 94 L CB -0.676 41.284 42.059 -0.166 0.000 0.893 94 L HN 0.099 nan 8.230 nan 0.000 0.432 95 R N -0.280 120.094 120.500 -0.210 0.000 2.091 95 R HA -0.243 4.097 4.340 -0.001 0.000 0.238 95 R C 2.460 178.659 176.300 -0.169 0.000 1.136 95 R CA 2.011 57.969 56.100 -0.237 0.000 0.959 95 R CB -0.293 29.873 30.300 -0.222 0.000 0.856 95 R HN 0.460 nan 8.270 nan 0.000 0.437 96 K N -0.092 120.233 120.400 -0.125 0.000 2.026 96 K HA -0.129 4.190 4.320 -0.001 0.000 0.208 96 K C 1.990 178.541 176.600 -0.081 0.000 1.048 96 K CA 1.474 57.707 56.287 -0.091 0.000 0.929 96 K CB -0.217 32.240 32.500 -0.071 0.000 0.713 96 K HN 0.261 nan 8.250 nan 0.000 0.439 97 A N 1.411 124.182 122.820 -0.082 0.000 1.883 97 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 97 A C 2.123 179.668 177.584 -0.065 0.000 1.186 97 A CA 1.718 53.716 52.037 -0.065 0.000 0.624 97 A CB -0.664 18.298 19.000 -0.063 0.000 0.822 97 A HN 0.379 nan 8.150 nan 0.000 0.444 98 I N -0.216 120.297 120.570 -0.096 0.000 2.226 98 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 98 I C 2.021 178.102 176.117 -0.060 0.000 1.100 98 I CA 1.790 63.041 61.300 -0.082 0.000 1.374 98 I CB -0.484 37.414 38.000 -0.170 0.000 1.057 98 I HN 0.425 nan 8.210 nan 0.000 0.413 99 N N 0.396 119.046 118.700 -0.083 0.000 2.459 99 N HA -0.032 4.707 4.740 -0.001 0.000 0.181 99 N C 1.382 176.869 175.510 -0.039 0.000 1.046 99 N CA 0.733 53.745 53.050 -0.063 0.000 0.904 99 N CB 0.011 38.450 38.487 -0.080 0.000 0.964 99 N HN 0.305 nan 8.380 nan 0.000 0.444 100 A N 0.086 122.883 122.820 -0.037 0.000 2.345 100 A HA 0.426 4.745 4.320 -0.001 0.000 0.225 100 A C 1.489 179.063 177.584 -0.016 0.000 1.243 100 A CA 0.361 52.383 52.037 -0.025 0.000 0.875 100 A CB -0.247 18.736 19.000 -0.027 0.000 0.929 100 A HN 0.234 nan 8.150 nan 0.000 0.502 101 G N -0.249 108.543 108.800 -0.013 0.000 2.153 101 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.252 101 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.252 101 G C 0.463 175.361 174.900 -0.004 0.000 0.994 101 G CA 0.767 45.865 45.100 -0.003 0.000 0.698 101 G HN 0.612 nan 8.290 nan 0.000 0.521 102 E N -1.282 118.911 120.200 -0.011 0.000 2.340 102 E HA 0.344 4.693 4.350 -0.001 0.000 0.194 102 E C 1.087 177.683 176.600 -0.008 0.000 0.996 102 E CA 0.768 57.161 56.400 -0.011 0.000 0.869 102 E CB 0.622 30.311 29.700 -0.019 0.000 0.835 102 E HN 0.435 nan 8.360 nan 0.000 0.493 106 I N 5.900 126.078 120.570 -0.655 0.000 2.448 106 I HA 0.288 4.458 4.170 -0.001 0.000 0.281 106 I C -1.104 174.475 176.117 -0.896 0.000 1.027 106 I CA -0.523 60.405 61.300 -0.621 0.000 1.111 106 I CB 1.355 39.200 38.000 -0.259 0.000 1.236 106 I HN 0.400 nan 8.210 nan 0.000 0.452 107 D N 6.082 125.903 120.400 -0.964 0.000 2.277 107 D HA 0.290 4.930 4.640 -0.001 0.000 0.249 107 D C -0.537 175.618 176.300 -0.242 0.000 1.134 107 D CA -0.478 53.202 54.000 -0.532 0.000 0.863 107 D CB 1.184 41.865 40.800 -0.200 0.000 1.143 107 D HN 0.462 nan 8.370 nan 0.000 0.458 108 Q N 1.061 120.791 119.800 -0.116 0.000 2.387 108 Q HA 0.267 4.607 4.340 -0.001 0.000 0.273 108 Q C -0.620 175.382 176.000 0.003 0.000 1.089 108 Q CA -0.937 54.814 55.803 -0.086 0.000 0.824 108 Q CB 1.956 30.680 28.738 -0.025 0.000 1.367 108 Q HN 0.539 nan 8.270 nan 0.000 0.443 109 H N 1.659 120.760 119.070 0.053 0.000 3.125 109 H HA -0.080 4.476 4.556 -0.001 0.000 0.310 109 H C 0.996 176.358 175.328 0.057 0.000 0.980 109 H CA -0.061 56.025 56.048 0.063 0.000 1.422 109 H CB 0.608 30.390 29.762 0.033 0.000 1.432 109 H HN 0.498 nan 8.280 nan 0.000 0.577 110 L N 2.405 123.751 121.223 0.205 0.000 2.191 110 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 110 L C 2.350 179.298 176.870 0.131 0.000 1.103 110 L CA 1.477 56.415 54.840 0.164 0.000 0.769 110 L CB -0.369 41.806 42.059 0.193 0.000 0.908 110 L HN 0.680 nan 8.230 nan 0.000 0.438 111 S N -1.414 114.330 115.700 0.073 0.000 2.522 111 S HA -0.084 4.385 4.470 -0.001 0.000 0.227 111 S C 1.485 176.093 174.600 0.014 0.000 0.986 111 S CA 0.482 58.688 58.200 0.011 0.000 0.929 111 S CB -0.027 63.106 63.200 -0.112 0.000 0.769 111 S HN 0.505 nan 8.310 nan 0.000 0.529 112 E N 0.585 120.818 120.200 0.055 0.000 2.364 112 E HA 0.043 4.393 4.350 -0.001 0.000 0.196 112 E C 1.560 178.197 176.600 0.062 0.000 0.990 112 E CA 0.700 57.128 56.400 0.047 0.000 0.886 112 E CB -0.043 29.703 29.700 0.077 0.000 0.866 112 E HN 0.535 nan 8.360 nan 0.000 0.493 113 T N 1.418 116.023 114.554 0.085 0.000 2.665 113 T HA -0.178 4.172 4.350 -0.001 0.000 0.268 113 T C 2.238 177.008 174.700 0.118 0.000 1.035 113 T CA 1.786 63.947 62.100 0.101 0.000 1.151 113 T CB -0.351 68.607 68.868 0.150 0.000 0.862 113 T HN 0.195 nan 8.240 nan 0.000 0.438 114 V N 0.344 120.342 119.914 0.141 0.000 2.667 114 V HA 0.013 4.133 4.120 -0.001 0.000 0.252 114 V C 2.286 178.478 176.094 0.164 0.000 1.065 114 V CA 1.737 64.170 62.300 0.220 0.000 1.083 114 V CB -0.723 31.222 31.823 0.203 0.000 0.692 114 V HN 0.260 nan 8.190 nan 0.000 0.468 115 E N 1.037 121.291 120.200 0.089 0.000 2.072 115 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 115 E C 2.298 178.894 176.600 -0.008 0.000 0.985 115 E CA 1.780 58.206 56.400 0.045 0.000 0.801 115 E CB -0.396 29.323 29.700 0.031 0.000 0.750 115 E HN 0.772 nan 8.360 nan 0.000 0.452 116 Q N -0.114 119.682 119.800 -0.007 0.000 2.050 116 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 116 Q C 2.420 178.349 176.000 -0.118 0.000 0.980 116 Q CA 1.556 57.334 55.803 -0.042 0.000 0.840 116 Q CB -0.229 28.496 28.738 -0.021 0.000 0.898 116 Q HN 0.319 nan 8.270 nan 0.000 0.424 117 L N 0.656 121.789 121.223 -0.151 0.000 2.012 117 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 117 L C 2.666 179.183 176.870 -0.588 0.000 1.073 117 L CA 1.786 56.379 54.840 -0.410 0.000 0.748 117 L CB -0.500 41.227 42.059 -0.554 0.000 0.891 117 L HN 0.270 nan 8.230 nan 0.000 0.431 118 R N -0.318 119.980 120.500 -0.338 0.000 2.235 118 R HA -0.042 4.298 4.340 -0.001 0.000 0.213 118 R C 0.748 176.804 176.300 -0.406 0.000 1.059 118 R CA 1.134 57.070 56.100 -0.274 0.000 0.997 118 R CB -0.240 30.067 30.300 0.011 0.000 0.884 118 R HN 0.355 nan 8.270 nan 0.000 0.462 119 N N 0.674 119.191 118.700 -0.305 0.000 2.338 119 N HA 0.062 4.801 4.740 -0.001 0.000 0.251 119 N C -0.741 174.710 175.510 -0.098 0.000 1.199 119 N CA -0.133 52.785 53.050 -0.220 0.000 0.879 119 N CB 0.404 38.840 38.487 -0.086 0.000 1.159 119 N HN 0.301 nan 8.380 nan 0.000 0.514 120 H N -0.392 118.602 119.070 -0.127 0.000 3.109 120 H HA -0.108 4.448 4.556 -0.000 0.000 0.245 120 H C 0.312 175.588 175.328 -0.086 0.000 1.187 120 H CA 0.606 56.591 56.048 -0.104 0.000 1.136 120 H CB -0.981 28.737 29.762 -0.073 0.000 1.243 120 H HN 0.368 nan 8.280 nan 0.000 0.328 121 Q N -0.067 119.727 119.800 -0.011 0.000 2.319 121 Q HA 0.316 4.656 4.340 -0.001 0.000 0.202 121 Q C 0.468 176.448 176.000 -0.034 0.000 0.896 121 Q CA 0.158 55.953 55.803 -0.013 0.000 0.942 121 Q CB 0.979 29.708 28.738 -0.015 0.000 1.083 121 Q HN 0.372 nan 8.270 nan 0.000 0.510 122 L N 0.017 121.203 121.223 -0.062 0.000 2.549 122 L HA 0.323 4.663 4.340 -0.001 0.000 0.259 122 L C -1.071 175.743 176.870 -0.094 0.000 0.934 122 L CA -0.527 54.272 54.840 -0.068 0.000 0.865 122 L CB 1.983 44.005 42.059 -0.062 0.000 1.352 122 L HN -0.190 nan 8.230 nan 0.000 0.410 123 K N 4.343 124.701 120.400 -0.071 0.000 2.412 123 K HA 0.341 4.661 4.320 -0.001 0.000 0.281 123 K C -0.741 175.798 176.600 -0.101 0.000 1.027 123 K CA -0.283 55.961 56.287 -0.072 0.000 0.989 123 K CB 0.375 32.845 32.500 -0.049 0.000 0.935 123 K HN 0.693 nan 8.250 nan 0.000 0.475 124 L N 6.440 127.592 121.223 -0.119 0.000 2.452 124 L HA 0.205 4.544 4.340 -0.001 0.000 0.267 124 L C -1.674 175.155 176.870 -0.069 0.000 1.188 124 L CA -1.981 52.778 54.840 -0.135 0.000 0.821 124 L CB 0.339 42.322 42.059 -0.127 0.000 1.102 124 L HN 0.679 nan 8.230 nan 0.000 0.470 125 P HA 0.004 nan 4.420 nan 0.000 0.268 125 P C -0.561 176.729 177.300 -0.016 0.000 1.204 125 P CA -0.156 62.902 63.100 -0.070 0.000 0.768 125 P CB 0.841 32.466 31.700 -0.125 0.000 0.842 126 D N 1.883 122.267 120.400 -0.027 0.000 2.183 126 D HA 0.015 4.655 4.640 -0.001 0.000 0.203 126 D C 0.851 177.154 176.300 0.004 0.000 0.969 126 D CA 1.371 55.367 54.000 -0.006 0.000 0.842 126 D CB 0.442 41.235 40.800 -0.012 0.000 0.957 126 D HN 0.366 nan 8.370 nan 0.000 0.484 127 I N -0.410 120.154 120.570 -0.011 0.000 2.692 127 I HA 0.425 4.594 4.170 -0.001 0.000 0.293 127 I C -1.857 174.251 176.117 -0.014 0.000 1.200 127 I CA -0.770 60.529 61.300 -0.001 0.000 1.036 127 I CB 2.066 40.064 38.000 -0.003 0.000 1.258 127 I HN -0.191 nan 8.210 nan 0.000 0.421 128 A N 6.641 129.473 122.820 0.020 0.000 2.317 128 A HA 0.783 5.102 4.320 -0.001 0.000 0.327 128 A C -1.310 176.302 177.584 0.046 0.000 1.178 128 A CA -0.479 51.583 52.037 0.042 0.000 0.817 128 A CB 1.485 20.552 19.000 0.112 0.000 1.189 128 A HN 0.452 nan 8.150 nan 0.000 0.489 129 V N 4.540 124.487 119.914 0.054 0.000 2.349 129 V HA 0.349 4.469 4.120 -0.001 0.000 0.284 129 V C -0.762 175.379 176.094 0.078 0.000 1.014 129 V CA -0.349 61.983 62.300 0.053 0.000 0.826 129 V CB 0.759 32.604 31.823 0.036 0.000 1.009 129 V HN 0.679 nan 8.190 nan 0.000 0.431 130 I N 3.276 123.887 120.570 0.067 0.000 2.406 130 I HA 0.443 4.613 4.170 -0.001 0.000 0.290 130 I C 0.310 176.453 176.117 0.042 0.000 0.999 130 I CA -0.616 60.723 61.300 0.066 0.000 1.124 130 I CB 1.861 39.893 38.000 0.054 0.000 1.289 130 I HN 0.670 nan 8.210 nan 0.000 0.441 131 E N 4.382 124.605 120.200 0.040 0.000 2.338 131 E HA 0.544 4.893 4.350 -0.001 0.000 0.272 131 E C -0.865 175.735 176.600 -0.000 0.000 1.029 131 E CA -0.301 56.117 56.400 0.030 0.000 0.872 131 E CB 1.193 30.918 29.700 0.042 0.000 1.015 131 E HN 0.777 nan 8.360 nan 0.000 0.417 132 A N 3.016 125.842 122.820 0.010 0.000 2.435 132 A HA 0.629 4.948 4.320 -0.001 0.000 0.304 132 A C 0.192 177.787 177.584 0.019 0.000 1.064 132 A CA 0.025 52.058 52.037 -0.006 0.000 0.727 132 A CB 1.641 20.642 19.000 0.002 0.000 1.284 132 A HN 0.713 nan 8.150 nan 0.000 0.415 133 A N 0.822 123.649 122.820 0.013 0.000 1.970 133 A HA 0.574 4.893 4.320 -0.001 0.000 0.216 133 A C 1.098 178.709 177.584 0.045 0.000 1.170 133 A CA 1.802 53.868 52.037 0.049 0.000 0.645 133 A CB -0.222 18.817 19.000 0.065 0.000 0.816 133 A HN 2.483 nan 8.150 nan 0.000 0.447 134 A N -1.627 121.212 122.820 0.033 0.000 2.586 134 A HA 0.645 4.964 4.320 -0.001 0.000 0.291 134 A C -1.372 176.228 177.584 0.026 0.000 1.062 134 A CA -0.511 51.545 52.037 0.032 0.000 0.666 134 A CB 0.421 19.444 19.000 0.038 0.000 1.281 134 A HN 0.233 nan 8.150 nan 0.000 0.421 135 I N 1.594 122.180 120.570 0.026 0.000 2.433 135 I HA 0.467 4.636 4.170 -0.001 0.000 0.292 135 I C 0.942 177.070 176.117 0.018 0.000 1.001 135 I CA -0.530 60.787 61.300 0.028 0.000 1.119 135 I CB 2.395 40.411 38.000 0.028 0.000 1.289 135 I HN 0.904 nan 8.210 nan 0.000 0.438 136 T N 0.624 115.186 114.554 0.013 0.000 2.771 136 T HA 0.227 4.577 4.350 -0.001 0.000 0.290 136 T C 0.888 175.559 174.700 -0.048 0.000 1.005 136 T CA -0.321 61.768 62.100 -0.018 0.000 0.944 136 T CB 0.990 69.836 68.868 -0.036 0.000 1.147 136 T HN 0.544 nan 8.240 nan 0.000 0.534 137 E N -0.094 120.068 120.200 -0.064 0.000 2.204 137 E HA -0.075 4.275 4.350 -0.001 0.000 0.195 137 E C 2.141 178.679 176.600 -0.103 0.000 0.990 137 E CA 0.937 57.298 56.400 -0.064 0.000 0.821 137 E CB -0.117 29.551 29.700 -0.053 0.000 0.750 137 E HN 0.458 nan 8.360 nan 0.000 0.477 138 Q N -0.884 118.793 119.800 -0.204 0.000 2.403 138 Q HA 0.140 4.479 4.340 -0.001 0.000 0.203 138 Q C 0.835 176.696 176.000 -0.232 0.000 0.932 138 Q CA 0.742 56.355 55.803 -0.316 0.000 0.945 138 Q CB 0.889 29.230 28.738 -0.662 0.000 1.045 138 Q HN 0.369 nan 8.270 nan 0.000 0.511 139 G N 1.051 109.793 108.800 -0.097 0.000 2.137 139 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.237 139 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.237 139 G C -0.230 174.788 174.900 0.196 0.000 1.002 139 G CA 0.079 45.209 45.100 0.051 0.000 0.702 139 G HN 0.522 nan 8.290 nan 0.000 0.515 140 H N -1.029 118.039 119.070 -0.004 0.000 2.483 140 H HA 0.605 5.161 4.556 -0.001 0.000 0.338 140 H C 0.366 175.686 175.328 -0.013 0.000 1.152 140 H CA -0.929 55.113 56.048 -0.010 0.000 1.264 140 H CB 1.520 31.276 29.762 -0.010 0.000 1.510 140 H HN 0.173 nan 8.280 nan 0.000 0.530 141 I N 2.651 123.277 120.570 0.093 0.000 2.315 141 I HA 0.090 4.259 4.170 -0.001 0.000 0.291 141 I C -0.332 175.774 176.117 -0.019 0.000 1.006 141 I CA -0.641 60.672 61.300 0.023 0.000 1.265 141 I CB 1.329 39.325 38.000 -0.006 0.000 1.387 141 I HN 0.205 nan 8.210 nan 0.000 0.475 142 V N 9.010 128.910 119.914 -0.024 0.000 2.385 142 V HA 0.251 4.371 4.120 -0.001 0.000 0.269 142 V C -1.915 174.083 176.094 -0.160 0.000 1.043 142 V CA -1.478 60.777 62.300 -0.075 0.000 0.906 142 V CB 0.690 32.525 31.823 0.020 0.000 0.995 142 V HN 0.575 nan 8.190 nan 0.000 0.467 143 P HA 0.329 nan 4.420 nan 0.000 0.289 143 P C 0.534 177.689 177.300 -0.241 0.000 1.299 143 P CA -0.186 62.709 63.100 -0.343 0.000 0.766 143 P CB 0.624 32.053 31.700 -0.451 0.000 1.226 144 T N -3.904 110.554 114.554 -0.160 0.000 2.281 144 T HA 0.089 4.439 4.350 -0.001 0.000 0.180 144 T C 1.355 175.991 174.700 -0.106 0.000 0.683 144 T CA 0.866 62.837 62.100 -0.215 0.000 1.735 144 T CB -1.491 67.050 68.868 -0.544 0.000 3.036 144 T HN 0.401 nan 8.240 nan 0.000 0.399 145 T N 0.349 114.729 114.554 -0.289 0.000 3.129 145 T HA 0.362 4.712 4.350 -0.001 0.000 0.251 145 T C 0.810 175.515 174.700 0.009 0.000 1.117 145 T CA 0.115 62.126 62.100 -0.148 0.000 1.034 145 T CB -0.486 68.233 68.868 -0.247 0.000 0.968 145 T HN 0.818 nan 8.240 nan 0.000 0.526 146 S N -0.673 115.036 115.700 0.016 0.000 2.588 146 S HA 0.657 5.127 4.470 -0.001 0.000 0.275 146 S C 0.401 175.011 174.600 0.017 0.000 1.130 146 S CA -0.737 57.476 58.200 0.022 0.000 0.855 146 S CB 1.947 65.178 63.200 0.052 0.000 1.116 146 S HN -0.107 nan 8.310 nan 0.000 0.472 147 V N 1.362 121.267 119.914 -0.015 0.000 2.521 147 V HA 0.405 4.525 4.120 -0.001 0.000 0.239 147 V C 2.177 178.248 176.094 -0.039 0.000 1.053 147 V CA 1.291 63.570 62.300 -0.035 0.000 1.073 147 V CB -1.600 30.213 31.823 -0.016 0.000 0.746 147 V HN 1.547 nan 8.190 nan 0.000 0.476 148 G N 1.207 109.965 108.800 -0.070 0.000 2.622 148 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.307 148 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.307 148 G C 0.505 175.384 174.900 -0.035 0.000 1.226 148 G CA 0.704 45.846 45.100 0.071 0.000 0.997 148 G HN 0.407 nan 8.290 nan 0.000 0.551 149 N N 0.983 119.589 118.700 -0.157 0.000 2.270 149 N HA 0.213 4.953 4.740 -0.001 0.000 0.198 149 N C 2.128 177.222 175.510 -0.692 0.000 1.117 149 N CA 0.974 53.696 53.050 -0.547 0.000 0.845 149 N CB 0.383 38.249 38.487 -1.035 0.000 0.980 149 N HN 0.381 nan 8.380 nan 0.000 0.486 150 S N 0.758 116.274 115.700 -0.307 0.000 2.399 150 S HA -0.089 4.380 4.470 -0.001 0.000 0.231 150 S C 2.073 176.610 174.600 -0.105 0.000 1.022 150 S CA 1.093 59.218 58.200 -0.125 0.000 0.983 150 S CB 0.012 63.195 63.200 -0.028 0.000 0.803 150 S HN 0.492 nan 8.310 nan 0.000 0.480 151 A N 1.433 124.164 122.820 -0.149 0.000 1.873 151 A HA -0.057 4.262 4.320 -0.001 0.000 0.215 151 A C 2.347 179.810 177.584 -0.202 0.000 1.186 151 A CA 1.798 53.748 52.037 -0.145 0.000 0.616 151 A CB -0.905 18.016 19.000 -0.131 0.000 0.823 151 A HN 0.442 nan 8.150 nan 0.000 0.442 152 S N -0.590 114.953 115.700 -0.262 0.000 2.368 152 S HA -0.101 4.369 4.470 -0.001 0.000 0.225 152 S C 1.679 176.174 174.600 -0.175 0.000 1.030 152 S CA 1.368 59.322 58.200 -0.410 0.000 0.999 152 S CB -0.636 62.429 63.200 -0.226 0.000 0.844 152 S HN 0.608 nan 8.310 nan 0.000 0.459 153 F N 1.736 121.684 119.950 -0.003 0.000 2.095 153 F HA -0.213 4.313 4.527 -0.001 0.000 0.298 153 F C 2.834 178.650 175.800 0.026 0.000 1.104 153 F CA 0.570 58.627 58.000 0.095 0.000 1.232 153 F CB -0.476 38.578 39.000 0.090 0.000 0.987 153 F HN 0.237 nan 8.300 nan 0.000 0.475 154 A N 0.623 123.532 122.820 0.148 0.000 1.908 154 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 154 A C 2.075 179.658 177.584 -0.002 0.000 1.181 154 A CA 1.609 53.679 52.037 0.054 0.000 0.627 154 A CB -0.998 18.003 19.000 0.002 0.000 0.818 154 A HN 0.413 nan 8.150 nan 0.000 0.445 155 I N -1.967 118.543 120.570 -0.102 0.000 2.233 155 I HA -0.163 4.007 4.170 -0.001 0.000 0.243 155 I C 2.127 178.214 176.117 -0.050 0.000 1.093 155 I CA 1.044 62.251 61.300 -0.155 0.000 1.380 155 I CB -0.327 37.489 38.000 -0.306 0.000 1.067 155 I HN 0.273 nan 8.210 nan 0.000 0.413 156 F N 1.436 121.433 119.950 0.079 0.000 2.186 156 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 156 F C 1.794 177.624 175.800 0.050 0.000 1.090 156 F CA 0.010 58.051 58.000 0.068 0.000 1.307 156 F CB -1.126 37.926 39.000 0.087 0.000 1.019 156 F HN -0.110 nan 8.300 nan 0.000 0.489 157 A N 0.828 123.791 122.820 0.238 0.000 2.445 157 A HA 0.152 4.471 4.320 -0.001 0.000 0.242 157 A C 1.366 179.006 177.584 0.093 0.000 1.075 157 A CA -0.310 51.808 52.037 0.135 0.000 0.777 157 A CB 0.287 19.346 19.000 0.098 0.000 1.013 157 A HN 0.466 nan 8.150 nan 0.000 0.493 158 K N 0.781 121.221 120.400 0.066 0.000 2.097 158 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 158 K C 0.354 176.978 176.600 0.041 0.000 1.050 158 K CA 1.237 57.555 56.287 0.050 0.000 0.938 158 K CB -0.105 32.417 32.500 0.038 0.000 0.718 158 K HN 0.744 nan 8.250 nan 0.000 0.442 159 Q N 0.515 120.337 119.800 0.037 0.000 2.397 159 Q HA 0.520 4.860 4.340 -0.001 0.000 0.275 159 Q C -1.525 174.495 176.000 0.033 0.000 1.090 159 Q CA -1.008 54.813 55.803 0.031 0.000 0.809 159 Q CB 3.135 31.887 28.738 0.023 0.000 1.362 159 Q HN -0.127 nan 8.270 nan 0.000 0.431 160 V N 2.870 122.803 119.914 0.032 0.000 2.487 160 V HA 0.484 4.604 4.120 -0.001 0.000 0.298 160 V C -0.533 175.579 176.094 0.030 0.000 1.028 160 V CA -0.611 61.710 62.300 0.035 0.000 0.860 160 V CB 1.630 33.474 31.823 0.035 0.000 0.991 160 V HN 0.640 nan 8.190 nan 0.000 0.427 161 I N 4.778 125.367 120.570 0.030 0.000 2.336 161 I HA 0.438 4.607 4.170 -0.001 0.000 0.292 161 I C -0.450 175.686 176.117 0.031 0.000 0.991 161 I CA -0.689 60.627 61.300 0.027 0.000 1.227 161 I CB 1.782 39.796 38.000 0.024 0.000 1.366 161 I HN 0.271 nan 8.210 nan 0.000 0.466 162 V N 6.013 125.944 119.914 0.028 0.000 2.370 162 V HA 0.260 4.379 4.120 -0.001 0.000 0.283 162 V C 0.054 176.164 176.094 0.027 0.000 1.023 162 V CA -0.596 61.721 62.300 0.028 0.000 0.857 162 V CB 1.446 33.285 31.823 0.026 0.000 0.985 162 V HN 0.698 nan 8.190 nan 0.000 0.443 163 E N 4.853 125.071 120.200 0.030 0.000 2.063 163 E HA 0.362 4.712 4.350 -0.001 0.000 0.265 163 E C -0.798 175.822 176.600 0.034 0.000 0.919 163 E CA -0.581 55.837 56.400 0.031 0.000 0.756 163 E CB 0.845 30.566 29.700 0.035 0.000 1.120 163 E HN 0.517 nan 8.360 nan 0.000 0.414 164 I N 4.031 124.619 120.570 0.031 0.000 2.379 164 I HA 0.061 4.231 4.170 -0.001 0.000 0.290 164 I C 0.206 176.346 176.117 0.038 0.000 1.063 164 I CA -0.141 61.179 61.300 0.034 0.000 1.351 164 I CB 0.331 38.348 38.000 0.027 0.000 1.410 164 I HN 0.412 nan 8.210 nan 0.000 0.505 165 N N 7.341 126.077 118.700 0.059 0.000 2.501 165 N HA 0.247 4.987 4.740 -0.001 0.000 0.245 165 N C 0.798 176.329 175.510 0.035 0.000 0.974 165 N CA -0.395 52.689 53.050 0.057 0.000 0.941 165 N CB 1.086 39.642 38.487 0.115 0.000 1.122 165 N HN 0.483 nan 8.380 nan 0.000 0.507 166 L N 1.812 123.036 121.223 0.002 0.000 2.349 166 L HA -0.102 4.238 4.340 -0.001 0.000 0.220 166 L C 1.859 178.700 176.870 -0.048 0.000 1.130 166 L CA 0.965 55.800 54.840 -0.009 0.000 0.791 166 L CB -0.342 41.711 42.059 -0.010 0.000 0.918 166 L HN 0.532 nan 8.230 nan 0.000 0.444 167 A N -1.822 120.925 122.820 -0.121 0.000 2.206 167 A HA -0.029 4.291 4.320 -0.001 0.000 0.211 167 A C 0.643 177.997 177.584 -0.384 0.000 1.158 167 A CA 0.471 52.361 52.037 -0.245 0.000 0.761 167 A CB -0.359 18.450 19.000 -0.318 0.000 0.801 167 A HN 0.309 nan 8.150 nan 0.000 0.473 168 H N -0.322 118.711 119.070 -0.061 0.000 2.469 168 H HA 0.387 4.943 4.556 -0.001 0.000 0.342 168 H C -0.251 175.056 175.328 -0.034 0.000 1.115 168 H CA -0.418 55.577 56.048 -0.089 0.000 1.204 168 H CB 1.603 31.299 29.762 -0.109 0.000 1.492 168 H HN 0.198 nan 8.280 nan 0.000 0.499 169 S N 0.734 116.500 115.700 0.111 0.000 2.592 169 S HA 0.003 4.473 4.470 -0.001 0.000 0.271 169 S C 1.439 176.096 174.600 0.094 0.000 1.326 169 S CA -0.019 58.236 58.200 0.090 0.000 1.024 169 S CB 0.533 63.793 63.200 0.099 0.000 0.921 169 S HN 0.780 nan 8.310 nan 0.000 0.527 170 T N 1.414 116.013 114.554 0.075 0.000 3.051 170 T HA -0.125 4.225 4.350 -0.001 0.000 0.269 170 T C 1.288 176.035 174.700 0.079 0.000 1.127 170 T CA 1.201 63.344 62.100 0.071 0.000 1.107 170 T CB -0.712 68.188 68.868 0.054 0.000 0.898 170 T HN 0.755 nan 8.240 nan 0.000 0.517 171 N N 1.603 120.354 118.700 0.085 0.000 2.571 171 N HA 0.015 4.755 4.740 -0.001 0.000 0.189 171 N C 1.491 177.063 175.510 0.104 0.000 1.154 171 N CA 0.309 53.411 53.050 0.087 0.000 0.907 171 N CB -0.891 37.646 38.487 0.084 0.000 0.977 171 N HN 0.452 nan 8.380 nan 0.000 0.449 172 L N -0.229 121.067 121.223 0.121 0.000 2.275 172 L HA 0.007 4.346 4.340 -0.001 0.000 0.215 172 L C 1.065 178.008 176.870 0.122 0.000 1.119 172 L CA 0.474 55.390 54.840 0.126 0.000 0.790 172 L CB -0.477 41.672 42.059 0.152 0.000 0.919 172 L HN 0.304 nan 8.230 nan 0.000 0.443 173 E N 0.133 120.413 120.200 0.133 0.000 2.417 173 E HA 0.146 4.496 4.350 -0.001 0.000 0.261 173 E C 0.998 177.654 176.600 0.095 0.000 1.000 173 E CA 0.780 57.264 56.400 0.140 0.000 0.919 173 E CB 0.332 30.094 29.700 0.103 0.000 0.955 173 E HN 0.307 nan 8.360 nan 0.000 0.455 174 G N 3.585 112.447 108.800 0.103 0.000 2.278 174 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.210 174 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.210 174 G C 0.613 175.516 174.900 0.005 0.000 1.000 174 G CA 0.159 45.295 45.100 0.059 0.000 0.635 174 G HN 0.564 nan 8.290 nan 0.000 0.495 175 L N 1.693 122.847 121.223 -0.115 0.000 2.217 175 L HA 0.384 4.723 4.340 -0.001 0.000 0.211 175 L C 1.064 177.745 176.870 -0.315 0.000 1.107 175 L CA 1.276 55.955 54.840 -0.269 0.000 0.783 175 L CB -0.387 41.414 42.059 -0.430 0.000 0.919 175 L HN 0.484 nan 8.230 nan 0.000 0.442 176 H N -1.237 117.860 119.070 0.045 0.000 2.479 176 H HA 0.490 5.046 4.556 -0.001 0.000 0.335 176 H C -0.892 174.463 175.328 0.045 0.000 1.142 176 H CA -0.677 55.391 56.048 0.033 0.000 1.234 176 H CB 1.052 30.826 29.762 0.020 0.000 1.503 176 H HN -0.070 nan 8.280 nan 0.000 0.510 177 D N 2.222 122.719 120.400 0.161 0.000 2.408 177 D HA 0.172 4.812 4.640 -0.001 0.000 0.261 177 D C -0.828 175.551 176.300 0.132 0.000 1.190 177 D CA -0.513 53.563 54.000 0.127 0.000 0.910 177 D CB 0.267 41.127 40.800 0.100 0.000 1.097 177 D HN 0.301 nan 8.370 nan 0.000 0.522 178 I N 3.926 124.567 120.570 0.118 0.000 2.379 178 I HA 0.209 4.378 4.170 -0.001 0.000 0.290 178 I C -0.536 175.657 176.117 0.127 0.000 1.063 178 I CA -0.531 60.819 61.300 0.084 0.000 1.351 178 I CB -0.275 37.737 38.000 0.019 0.000 1.410 178 I HN 0.386 nan 8.210 nan 0.000 0.505 179 Y N 7.387 127.682 120.300 -0.007 0.000 2.396 179 Y HA 0.534 5.084 4.550 -0.001 0.000 0.332 179 Y C -1.128 174.766 175.900 -0.010 0.000 1.034 179 Y CA -0.942 57.153 58.100 -0.008 0.000 1.057 179 Y CB 1.375 39.839 38.460 0.007 0.000 1.220 179 Y HN 0.305 nan 8.280 nan 0.000 0.440 180 I N 8.139 128.286 120.570 -0.705 0.000 2.378 180 I HA 0.378 4.548 4.170 -0.001 0.000 0.291 180 I C -2.319 173.332 176.117 -0.777 0.000 0.992 180 I CA -2.713 58.290 61.300 -0.496 0.000 1.154 180 I CB 1.235 39.048 38.000 -0.311 0.000 1.315 180 I HN 0.542 nan 8.210 nan 0.000 0.448 181 P HA 0.081 nan 4.420 nan 0.000 0.269 181 P C 0.212 177.482 177.300 -0.050 0.000 1.217 181 P CA 0.004 63.047 63.100 -0.094 0.000 0.783 181 P CB 0.294 32.075 31.700 0.135 0.000 0.898 182 T N -1.031 113.532 114.554 0.014 0.000 2.701 182 T HA 0.144 4.494 4.350 -0.001 0.000 0.303 182 T C -0.305 174.558 174.700 0.272 0.000 1.030 182 T CA 0.013 62.132 62.100 0.032 0.000 1.010 182 T CB 0.021 68.905 68.868 0.028 0.000 1.007 182 T HN 0.118 nan 8.240 nan 0.000 0.532 183 Y N 0.668 120.969 120.300 0.001 0.000 2.341 183 Y HA 0.436 4.986 4.550 -0.001 0.000 0.337 183 Y C 1.211 177.127 175.900 0.027 0.000 1.014 183 Y CA -1.821 56.289 58.100 0.016 0.000 1.111 183 Y CB 1.017 39.486 38.460 0.015 0.000 1.194 183 Y HN 0.616 nan 8.280 nan 0.000 0.462 184 R N 4.022 124.606 120.500 0.140 0.000 2.697 184 R HA 0.027 4.367 4.340 -0.001 0.000 0.265 184 R C -1.568 174.786 176.300 0.090 0.000 1.009 184 R CA -0.735 55.415 56.100 0.083 0.000 1.099 184 R CB 0.057 30.381 30.300 0.040 0.000 0.965 184 R HN 0.452 nan 8.270 nan 0.000 0.428 185 P HA 0.027 nan 4.420 nan 0.000 0.257 185 P C -0.221 177.112 177.300 0.055 0.000 1.325 185 P CA 0.468 63.602 63.100 0.055 0.000 0.850 185 P CB 0.432 32.159 31.700 0.045 0.000 1.324 186 T N -3.227 111.368 114.554 0.068 0.000 3.448 186 T HA 0.274 4.624 4.350 -0.001 0.000 0.271 186 T C 0.303 175.042 174.700 0.065 0.000 1.002 186 T CA -0.661 61.473 62.100 0.057 0.000 0.995 186 T CB 0.123 69.020 68.868 0.048 0.000 1.153 186 T HN -0.035 nan 8.240 nan 0.000 0.510 187 R N 2.142 122.687 120.500 0.075 0.000 2.590 187 R HA 0.387 4.726 4.340 -0.001 0.000 0.274 187 R C 0.256 176.592 176.300 0.060 0.000 1.061 187 R CA 0.167 56.317 56.100 0.083 0.000 1.081 187 R CB 0.441 30.798 30.300 0.094 0.000 0.984 187 R HN 0.545 nan 8.270 nan 0.000 0.448 188 T N 1.709 116.299 114.554 0.060 0.000 2.948 188 T HA 0.526 4.876 4.350 -0.001 0.000 0.285 188 T C -2.405 172.320 174.700 0.042 0.000 1.019 188 T CA -1.954 60.173 62.100 0.044 0.000 1.013 188 T CB 1.536 70.429 68.868 0.041 0.000 1.117 188 T HN 0.394 nan 8.240 nan 0.000 0.533 189 P HA 0.285 nan 4.420 nan 0.000 0.269 189 P C -0.474 176.817 177.300 -0.015 0.000 1.215 189 P CA -0.424 62.669 63.100 -0.011 0.000 0.780 189 P CB 0.178 31.860 31.700 -0.028 0.000 0.898 190 I N 4.778 125.305 120.570 -0.071 0.000 2.494 190 I HA 0.070 4.240 4.170 -0.001 0.000 0.289 190 I C -1.414 174.586 176.117 -0.194 0.000 1.106 190 I CA -1.348 59.867 61.300 -0.142 0.000 1.369 190 I CB 0.505 38.378 38.000 -0.212 0.000 1.410 190 I HN 0.246 nan 8.210 nan 0.000 0.523 191 P HA 0.115 nan 4.420 nan 0.000 0.243 191 P C -0.327 176.859 177.300 -0.190 0.000 1.668 191 P CA 0.050 63.047 63.100 -0.173 0.000 0.898 191 P CB 0.015 31.633 31.700 -0.136 0.000 1.637 192 L N 1.149 122.248 121.223 -0.206 0.000 2.264 192 L HA 0.358 4.698 4.340 -0.001 0.000 0.289 192 L C 1.044 177.820 176.870 -0.158 0.000 1.044 192 L CA 0.112 54.846 54.840 -0.176 0.000 0.807 192 L CB 1.303 43.260 42.059 -0.169 0.000 1.192 192 L HN -0.076 nan 8.230 nan 0.000 0.425 193 T N 0.417 114.887 114.554 -0.139 0.000 2.975 193 T HA 0.364 4.714 4.350 -0.001 0.000 0.261 193 T C 0.695 175.313 174.700 -0.137 0.000 0.984 193 T CA -0.323 61.697 62.100 -0.133 0.000 0.911 193 T CB 0.210 69.014 68.868 -0.106 0.000 1.127 193 T HN 0.504 nan 8.240 nan 0.000 0.514 194 R N 0.766 121.185 120.500 -0.134 0.000 2.744 194 R HA 0.537 4.876 4.340 -0.001 0.000 0.279 194 R C 1.302 177.535 176.300 -0.110 0.000 0.977 194 R CA -0.357 55.664 56.100 -0.132 0.000 0.906 194 R CB 2.312 32.528 30.300 -0.140 0.000 1.197 194 R HN 0.014 nan 8.270 nan 0.000 0.463 195 V N -1.595 118.274 119.914 -0.075 0.000 2.720 195 V HA -0.168 3.951 4.120 -0.001 0.000 0.256 195 V C 0.921 177.027 176.094 0.019 0.000 1.082 195 V CA 1.989 64.357 62.300 0.112 0.000 1.101 195 V CB -0.518 31.437 31.823 0.220 0.000 0.693 195 V HN 0.877 nan 8.190 nan 0.000 0.479 196 D N -1.437 118.731 120.400 -0.387 0.000 2.402 196 D HA 0.103 4.742 4.640 -0.001 0.000 0.216 196 D C -0.041 176.105 176.300 -0.257 0.000 1.128 196 D CA -0.473 53.121 54.000 -0.677 0.000 0.833 196 D CB -0.494 39.376 40.800 -1.550 0.000 0.971 196 D HN 0.390 nan 8.370 nan 0.000 0.503 197 D N 1.507 121.823 120.400 -0.139 0.000 2.488 197 D HA 0.062 4.702 4.640 -0.001 0.000 0.238 197 D C 0.402 176.678 176.300 -0.041 0.000 1.138 197 D CA 0.291 54.236 54.000 -0.092 0.000 0.873 197 D CB 0.810 41.555 40.800 -0.092 0.000 1.183 197 D HN -0.074 nan 8.370 nan 0.000 0.458 198 R N 2.726 123.205 120.500 -0.035 0.000 2.207 198 R HA 0.287 4.626 4.340 -0.001 0.000 0.334 198 R C 0.835 177.117 176.300 -0.029 0.000 1.013 198 R CA -0.309 55.788 56.100 -0.005 0.000 0.858 198 R CB 0.470 30.779 30.300 0.014 0.000 1.094 198 R HN 0.550 nan 8.270 nan 0.000 0.457 199 I N -1.700 118.845 120.570 -0.043 0.000 4.227 199 I HA 0.410 4.580 4.170 -0.001 0.000 0.334 199 I C 0.706 176.859 176.117 0.059 0.000 1.341 199 I CA -0.231 61.009 61.300 -0.099 0.000 1.123 199 I CB 0.972 38.750 38.000 -0.370 0.000 1.097 199 I HN 0.422 nan 8.210 nan 0.000 0.399 200 G N 1.338 110.210 108.800 0.120 0.000 3.264 200 G HA2 0.659 4.619 3.960 -0.001 0.000 0.168 200 G HA3 0.659 4.619 3.960 -0.001 0.000 0.168 200 G C -0.810 174.159 174.900 0.115 0.000 1.145 200 G CA 0.187 45.404 45.100 0.195 0.000 0.855 200 G HN 0.354 nan 8.290 nan 0.000 0.629 201 S N -2.081 113.680 115.700 0.102 0.000 2.671 201 S HA 0.537 5.007 4.470 -0.001 0.000 0.299 201 S C 0.859 175.516 174.600 0.096 0.000 1.116 201 S CA 0.512 58.763 58.200 0.086 0.000 0.912 201 S CB 1.433 64.678 63.200 0.075 0.000 1.130 201 S HN 1.074 nan 8.310 nan 0.000 0.501 202 T N -2.132 112.482 114.554 0.099 0.000 3.081 202 T HA 0.474 4.823 4.350 -0.001 0.000 0.255 202 T C 0.614 175.386 174.700 0.121 0.000 1.113 202 T CA 0.408 62.584 62.100 0.127 0.000 1.082 202 T CB -0.343 68.595 68.868 0.116 0.000 0.939 202 T HN 1.095 nan 8.240 nan 0.000 0.506 203 A N 0.673 123.546 122.820 0.089 0.000 2.384 203 A HA 0.757 5.076 4.320 -0.001 0.000 0.312 203 A C -0.588 177.008 177.584 0.019 0.000 1.113 203 A CA -1.110 50.963 52.037 0.060 0.000 0.779 203 A CB 0.996 20.066 19.000 0.116 0.000 1.307 203 A HN 0.414 nan 8.150 nan 0.000 0.436 204 I N 2.196 122.748 120.570 -0.030 0.000 2.379 204 I HA 0.244 4.414 4.170 -0.001 0.000 0.290 204 I C -2.164 173.846 176.117 -0.179 0.000 1.063 204 I CA -1.479 59.766 61.300 -0.091 0.000 1.351 204 I CB 1.243 39.187 38.000 -0.094 0.000 1.410 204 I HN 0.308 nan 8.210 nan 0.000 0.505 205 P HA 0.366 nan 4.420 nan 0.000 0.292 205 P C -0.872 176.092 177.300 -0.560 0.000 1.326 205 P CA -0.237 62.402 63.100 -0.767 0.000 0.787 205 P CB 0.488 31.883 31.700 -0.508 0.000 0.903 206 I N 0.696 120.938 120.570 -0.547 0.000 2.969 206 I HA 0.691 4.861 4.170 -0.001 0.000 0.307 206 I C -2.743 173.324 176.117 -0.083 0.000 1.149 206 I CA -3.514 57.657 61.300 -0.215 0.000 1.008 206 I CB 2.320 40.260 38.000 -0.101 0.000 1.232 206 I HN 0.006 nan 8.210 nan 0.000 0.435 207 P HA 0.174 nan 4.420 nan 0.000 0.267 207 P C -2.147 175.186 177.300 0.055 0.000 1.209 207 P CA -1.262 61.867 63.100 0.047 0.000 0.763 207 P CB 0.181 31.898 31.700 0.027 0.000 0.816 208 P HA -0.160 nan 4.420 nan 0.000 0.225 208 P C 1.088 178.412 177.300 0.040 0.000 1.148 208 P CA 1.261 64.399 63.100 0.062 0.000 0.779 208 P CB 0.079 31.815 31.700 0.061 0.000 0.780 209 E N 2.136 122.357 120.200 0.035 0.000 2.209 209 E HA -0.206 4.143 4.350 -0.001 0.000 0.196 209 E C 1.721 178.336 176.600 0.025 0.000 0.993 209 E CA 1.216 57.632 56.400 0.027 0.000 0.819 209 E CB -0.938 28.776 29.700 0.024 0.000 0.745 209 E HN 0.535 nan 8.360 nan 0.000 0.477 210 K N 1.105 121.521 120.400 0.027 0.000 2.459 210 K HA 0.083 4.402 4.320 -0.001 0.000 0.193 210 K C 0.814 177.430 176.600 0.026 0.000 1.030 210 K CA 0.038 56.341 56.287 0.026 0.000 1.026 210 K CB -0.117 32.398 32.500 0.025 0.000 0.809 210 K HN 0.036 nan 8.250 nan 0.000 0.504 211 I N 3.098 123.684 120.570 0.027 0.000 2.436 211 I HA -0.080 4.089 4.170 -0.001 0.000 0.289 211 I C 1.130 177.261 176.117 0.023 0.000 1.083 211 I CA -0.500 60.816 61.300 0.027 0.000 1.372 211 I CB 1.661 39.679 38.000 0.029 0.000 1.408 211 I HN 0.034 nan 8.210 nan 0.000 0.516 212 V N 3.227 123.154 119.914 0.021 0.000 3.661 212 V HA 0.600 4.720 4.120 -0.001 0.000 0.271 212 V C 0.601 176.705 176.094 0.017 0.000 1.315 212 V CA 0.337 62.648 62.300 0.018 0.000 1.072 212 V CB 0.030 31.864 31.823 0.017 0.000 0.830 212 V HN 0.712 nan 8.190 nan 0.000 0.443 213 A N 0.196 123.027 122.820 0.018 0.000 2.555 213 A HA 0.809 5.128 4.320 -0.001 0.000 0.297 213 A C -1.320 176.275 177.584 0.019 0.000 1.060 213 A CA -0.436 51.611 52.037 0.017 0.000 0.710 213 A CB 1.362 20.371 19.000 0.015 0.000 1.282 213 A HN 0.275 nan 8.150 nan 0.000 0.399 214 I N 1.991 122.571 120.570 0.017 0.000 2.406 214 I HA 0.518 4.688 4.170 -0.001 0.000 0.290 214 I C -0.669 175.458 176.117 0.017 0.000 0.999 214 I CA -0.923 60.388 61.300 0.018 0.000 1.124 214 I CB 2.026 40.036 38.000 0.018 0.000 1.289 214 I HN 0.357 nan 8.210 nan 0.000 0.441 215 V N 6.658 126.583 119.914 0.018 0.000 2.495 215 V HA 0.442 4.561 4.120 -0.001 0.000 0.298 215 V C 0.001 176.105 176.094 0.017 0.000 1.031 215 V CA -0.697 61.613 62.300 0.016 0.000 0.871 215 V CB 2.050 33.883 31.823 0.017 0.000 0.988 215 V HN 0.396 nan 8.190 nan 0.000 0.432 216 I N 4.268 124.846 120.570 0.014 0.000 2.331 216 I HA 0.458 4.627 4.170 -0.001 0.000 0.292 216 I C -0.026 176.097 176.117 0.010 0.000 0.998 216 I CA 0.022 61.330 61.300 0.013 0.000 1.267 216 I CB 1.152 39.158 38.000 0.010 0.000 1.386 216 I HN 0.663 nan 8.210 nan 0.000 0.476 217 N N 4.248 122.955 118.700 0.011 0.000 2.509 217 N HA 0.481 5.221 4.740 -0.001 0.000 0.280 217 N C -1.661 173.846 175.510 -0.004 0.000 1.306 217 N CA -0.402 52.652 53.050 0.006 0.000 0.782 217 N CB 2.126 40.621 38.487 0.013 0.000 1.493 217 N HN 0.488 nan 8.380 nan 0.000 0.498 218 D N 0.823 121.213 120.400 -0.015 0.000 2.337 218 D HA 0.243 4.883 4.640 -0.001 0.000 0.238 218 D C -1.797 174.475 176.300 -0.046 0.000 1.331 218 D CA -0.024 53.955 54.000 -0.035 0.000 0.967 218 D CB 0.206 40.988 40.800 -0.029 0.000 1.382 218 D HN 0.485 nan 8.370 nan 0.000 0.549 219 Q N 3.717 123.476 119.800 -0.069 0.000 2.313 219 Q HA 0.380 4.720 4.340 -0.001 0.000 0.260 219 Q C -2.805 173.131 176.000 -0.106 0.000 0.972 219 Q CA -1.585 54.180 55.803 -0.063 0.000 0.886 219 Q CB 2.599 31.321 28.738 -0.027 0.000 1.373 219 Q HN 0.153 nan 8.270 nan 0.000 0.416 220 P HA 0.096 nan 4.420 nan 0.000 0.273 220 P C -0.777 176.492 177.300 -0.051 0.000 1.250 220 P CA -0.139 62.879 63.100 -0.137 0.000 0.793 220 P CB 0.643 32.287 31.700 -0.092 0.000 1.011 221 D N -0.252 120.141 120.400 -0.011 0.000 2.372 221 D HA 0.097 4.737 4.640 -0.001 0.000 0.243 221 D C 0.242 176.563 176.300 0.036 0.000 1.121 221 D CA 0.307 54.341 54.000 0.057 0.000 0.898 221 D CB 0.122 40.983 40.800 0.102 0.000 1.202 221 D HN 0.167 nan 8.370 nan 0.000 0.428 222 S N 2.852 118.577 115.700 0.043 0.000 2.537 222 S HA 0.144 4.613 4.470 -0.001 0.000 0.286 222 S C -1.979 172.651 174.600 0.050 0.000 1.299 222 S CA -0.891 57.331 58.200 0.038 0.000 1.067 222 S CB 0.409 63.631 63.200 0.038 0.000 0.864 222 S HN 0.363 nan 8.310 nan 0.000 0.494 223 P HA 0.135 nan 4.420 nan 0.000 0.274 223 P C -0.152 177.182 177.300 0.056 0.000 1.237 223 P CA -0.483 62.647 63.100 0.050 0.000 0.793 223 P CB 0.595 32.318 31.700 0.038 0.000 0.977 224 S N 0.282 116.021 115.700 0.065 0.000 2.558 224 S HA 0.071 4.541 4.470 -0.001 0.000 0.288 224 S C 1.041 175.672 174.600 0.051 0.000 1.318 224 S CA 0.333 58.572 58.200 0.066 0.000 1.056 224 S CB -0.648 62.595 63.200 0.071 0.000 0.853 224 S HN 0.611 nan 8.310 nan 0.000 0.505 225 T N 1.481 116.066 114.554 0.051 0.000 3.215 225 T HA 0.278 4.628 4.350 -0.001 0.000 0.271 225 T C 0.426 175.150 174.700 0.041 0.000 1.012 225 T CA -0.054 62.070 62.100 0.040 0.000 0.899 225 T CB -0.938 67.951 68.868 0.035 0.000 1.089 225 T HN 0.724 nan 8.240 nan 0.000 0.552 226 V N 0.805 120.747 119.914 0.046 0.000 2.720 226 V HA 0.286 4.406 4.120 -0.001 0.000 0.307 226 V C 0.491 176.607 176.094 0.037 0.000 1.071 226 V CA -0.711 61.616 62.300 0.045 0.000 1.199 226 V CB -0.407 31.445 31.823 0.049 0.000 0.900 226 V HN 0.412 nan 8.190 nan 0.000 0.494 227 L N 5.902 127.146 121.223 0.035 0.000 2.453 227 L HA 0.434 4.774 4.340 -0.001 0.000 0.261 227 L C -1.614 175.274 176.870 0.030 0.000 1.179 227 L CA -1.746 53.112 54.840 0.030 0.000 0.813 227 L CB 0.548 42.624 42.059 0.028 0.000 1.110 227 L HN 0.553 nan 8.230 nan 0.000 0.466 228 P HA 0.170 nan 4.420 nan 0.000 0.269 228 P C -2.518 174.798 177.300 0.027 0.000 1.215 228 P CA -1.071 62.044 63.100 0.026 0.000 0.780 228 P CB -0.480 31.233 31.700 0.022 0.000 0.898 229 P HA 0.075 nan 4.420 nan 0.000 0.267 229 P C -0.439 176.876 177.300 0.026 0.000 1.200 229 P CA 0.468 63.585 63.100 0.029 0.000 0.772 229 P CB 0.244 31.961 31.700 0.028 0.000 0.855 230 D N -0.411 120.005 120.400 0.027 0.000 2.687 230 D HA 0.353 4.992 4.640 -0.001 0.000 0.264 230 D C 1.456 177.771 176.300 0.025 0.000 1.091 230 D CA -0.844 53.172 54.000 0.025 0.000 1.123 230 D CB -0.281 40.535 40.800 0.027 0.000 1.407 230 D HN 0.266 nan 8.370 nan 0.000 0.591 231 G N -0.630 108.185 108.800 0.025 0.000 2.469 231 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.219 231 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.219 231 G C 1.109 176.027 174.900 0.030 0.000 1.150 231 G CA 0.948 46.062 45.100 0.024 0.000 0.763 231 G HN 0.601 nan 8.290 nan 0.000 0.561 232 E N -0.156 120.069 120.200 0.042 0.000 2.072 232 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 232 E C 2.925 179.560 176.600 0.058 0.000 0.985 232 E CA 1.551 57.985 56.400 0.057 0.000 0.801 232 E CB -0.221 29.517 29.700 0.063 0.000 0.750 232 E HN 0.580 nan 8.360 nan 0.000 0.452 233 T N -1.092 113.491 114.554 0.048 0.000 2.867 233 T HA -0.220 4.130 4.350 -0.001 0.000 0.268 233 T C 2.002 176.725 174.700 0.038 0.000 1.057 233 T CA 1.256 63.385 62.100 0.049 0.000 1.136 233 T CB -0.126 68.770 68.868 0.045 0.000 0.874 233 T HN 0.089 nan 8.240 nan 0.000 0.466 234 Q N 1.153 120.968 119.800 0.025 0.000 2.050 234 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 234 Q C 2.594 178.582 176.000 -0.021 0.000 0.980 234 Q CA 1.621 57.429 55.803 0.008 0.000 0.840 234 Q CB -0.622 28.118 28.738 0.004 0.000 0.898 234 Q HN 0.686 nan 8.270 nan 0.000 0.424 235 A N 0.747 123.552 122.820 -0.024 0.000 1.908 235 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 235 A C 1.987 179.530 177.584 -0.070 0.000 1.181 235 A CA 1.494 53.474 52.037 -0.095 0.000 0.627 235 A CB -0.709 18.285 19.000 -0.009 0.000 0.818 235 A HN 0.500 nan 8.150 nan 0.000 0.445 236 I N -0.324 120.288 120.570 0.071 0.000 2.142 236 I HA -0.298 3.872 4.170 -0.001 0.000 0.240 236 I C 3.012 179.170 176.117 0.067 0.000 1.078 236 I CA 1.161 62.535 61.300 0.124 0.000 1.343 236 I CB -0.401 37.660 38.000 0.102 0.000 1.046 236 I HN 0.356 nan 8.210 nan 0.000 0.405 237 A N 1.020 123.863 122.820 0.039 0.000 1.908 237 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 237 A C 2.063 179.665 177.584 0.031 0.000 1.181 237 A CA 2.145 54.209 52.037 0.045 0.000 0.627 237 A CB -0.761 18.270 19.000 0.052 0.000 0.818 237 A HN 0.441 nan 8.150 nan 0.000 0.445 238 N N -0.414 118.265 118.700 -0.035 0.000 2.120 238 N HA -0.139 4.600 4.740 -0.001 0.000 0.188 238 N C 1.553 177.021 175.510 -0.070 0.000 1.024 238 N CA 1.502 54.508 53.050 -0.073 0.000 0.852 238 N CB -0.693 37.705 38.487 -0.148 0.000 1.003 238 N HN 0.615 nan 8.380 nan 0.000 0.424 239 H N 0.347 119.431 119.070 0.024 0.000 2.352 239 H HA -0.059 4.497 4.556 -0.001 0.000 0.299 239 H C 2.036 177.358 175.328 -0.010 0.000 1.097 239 H CA 0.718 56.772 56.048 0.011 0.000 1.311 239 H CB -0.444 29.313 29.762 -0.008 0.000 1.377 239 H HN 0.114 nan 8.280 nan 0.000 0.504 240 L N 0.798 122.054 121.223 0.055 0.000 2.056 240 L HA -0.069 4.271 4.340 -0.001 0.000 0.207 240 L C 2.375 179.173 176.870 -0.120 0.000 1.078 240 L CA 1.091 55.852 54.840 -0.133 0.000 0.749 240 L CB -0.696 41.260 42.059 -0.171 0.000 0.901 240 L HN 0.111 nan 8.230 nan 0.000 0.433 241 I N -0.458 120.175 120.570 0.105 0.000 2.179 241 I HA -0.307 3.862 4.170 -0.001 0.000 0.242 241 I C 2.012 178.306 176.117 0.294 0.000 1.088 241 I CA 1.365 62.859 61.300 0.323 0.000 1.357 241 I CB -0.504 37.654 38.000 0.262 0.000 1.051 241 I HN 0.268 nan 8.210 nan 0.000 0.409 242 D N 0.578 121.084 120.400 0.177 0.000 2.123 242 D HA -0.243 4.397 4.640 -0.001 0.000 0.196 242 D C 1.902 178.306 176.300 0.172 0.000 0.992 242 D CA 1.383 55.478 54.000 0.159 0.000 0.833 242 D CB -0.444 40.439 40.800 0.138 0.000 0.954 242 D HN 0.320 nan 8.370 nan 0.000 0.455 243 F N 0.818 120.764 119.950 -0.006 0.000 2.075 243 F HA -0.216 4.311 4.527 -0.001 0.000 0.297 243 F C 2.052 177.873 175.800 0.035 0.000 1.113 243 F CA 1.241 59.206 58.000 -0.057 0.000 1.218 243 F CB -0.367 38.514 39.000 -0.200 0.000 0.984 243 F HN -0.202 nan 8.300 nan 0.000 0.472 244 F N 1.369 121.346 119.950 0.044 0.000 2.161 244 F HA -0.164 4.363 4.527 -0.001 0.000 0.300 244 F C 2.335 178.127 175.800 -0.013 0.000 1.089 244 F CA 1.445 59.361 58.000 -0.141 0.000 1.282 244 F CB -1.251 37.621 39.000 -0.214 0.000 1.010 244 F HN -0.011 nan 8.300 nan 0.000 0.485 245 K N -0.135 120.513 120.400 0.413 0.000 2.057 245 K HA -0.158 4.162 4.320 -0.001 0.000 0.207 245 K C 2.217 178.880 176.600 0.105 0.000 1.049 245 K CA 1.315 57.783 56.287 0.302 0.000 0.931 245 K CB -0.234 32.392 32.500 0.209 0.000 0.714 245 K HN 0.215 nan 8.250 nan 0.000 0.440 246 R N 0.692 121.199 120.500 0.011 0.000 2.092 246 R HA -0.097 4.243 4.340 -0.001 0.000 0.231 246 R C 2.137 178.371 176.300 -0.109 0.000 1.119 246 R CA 0.989 57.058 56.100 -0.052 0.000 0.970 246 R CB -0.050 30.204 30.300 -0.077 0.000 0.864 246 R HN 0.193 nan 8.270 nan 0.000 0.440 247 E N 0.368 120.436 120.200 -0.221 0.000 2.047 247 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 247 E C 2.203 178.759 176.600 -0.073 0.000 0.987 247 E CA 1.027 57.303 56.400 -0.207 0.000 0.799 247 E CB -0.285 29.227 29.700 -0.314 0.000 0.752 247 E HN 0.107 nan 8.360 nan 0.000 0.449 248 V N 2.423 122.327 119.914 -0.017 0.000 2.261 248 V HA -0.237 3.883 4.120 -0.001 0.000 0.246 248 V C 1.740 177.850 176.094 0.027 0.000 1.047 248 V CA 2.105 64.421 62.300 0.028 0.000 1.015 248 V CB -0.601 31.294 31.823 0.120 0.000 0.642 248 V HN 0.124 nan 8.190 nan 0.000 0.446 249 D N 0.697 121.118 120.400 0.034 0.000 2.265 249 D HA -0.106 4.534 4.640 -0.001 0.000 0.208 249 D C 1.856 178.159 176.300 0.006 0.000 0.977 249 D CA 1.472 55.485 54.000 0.022 0.000 0.871 249 D CB -0.231 40.583 40.800 0.024 0.000 0.925 249 D HN 0.504 nan 8.370 nan 0.000 0.485 250 A N -0.279 122.536 122.820 -0.008 0.000 2.251 250 A HA 0.432 4.752 4.320 -0.001 0.000 0.209 250 A C 1.827 179.407 177.584 -0.006 0.000 1.187 250 A CA 0.813 52.843 52.037 -0.011 0.000 0.823 250 A CB -0.222 18.763 19.000 -0.025 0.000 0.846 250 A HN 0.211 nan 8.150 nan 0.000 0.486 251 G N -0.470 108.327 108.800 -0.004 0.000 2.153 251 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.252 251 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.252 251 G C 0.427 175.326 174.900 -0.002 0.000 0.994 251 G CA 0.662 45.761 45.100 -0.002 0.000 0.698 251 G HN 0.650 nan 8.290 nan 0.000 0.521 255 N N 0.456 119.168 118.700 0.021 0.000 2.459 255 N HA -0.062 4.677 4.740 -0.001 0.000 0.181 255 N C 1.282 176.836 175.510 0.073 0.000 1.046 255 N CA 1.286 54.406 53.050 0.118 0.000 0.904 255 N CB -0.096 38.470 38.487 0.132 0.000 0.964 255 N HN 0.733 nan 8.380 nan 0.000 0.444 256 S N 0.231 115.916 115.700 -0.024 0.000 2.634 256 S HA 0.184 4.654 4.470 -0.001 0.000 0.221 256 S C 1.190 175.692 174.600 -0.163 0.000 0.952 256 S CA -0.367 57.799 58.200 -0.057 0.000 0.930 256 S CB -0.218 62.960 63.200 -0.037 0.000 0.780 256 S HN 0.289 nan 8.310 nan 0.000 0.498 257 L N -0.797 120.260 121.223 -0.278 0.000 5.891 257 L HA -0.250 4.090 4.340 -0.001 0.000 0.053 257 L C 0.951 177.681 176.870 -0.232 0.000 2.528 257 L CA 1.251 55.848 54.840 -0.405 0.000 1.612 257 L CB -1.896 39.755 42.059 -0.680 0.000 2.817 257 L HN 0.600 nan 8.230 nan 0.000 0.990 258 G N -1.891 106.786 108.800 -0.206 0.000 2.695 258 G HA2 0.672 4.631 3.960 -0.001 0.000 0.290 258 G HA3 0.672 4.631 3.960 -0.001 0.000 0.290 258 G C -3.087 171.764 174.900 -0.082 0.000 1.410 258 G CA -0.899 44.135 45.100 -0.110 0.000 0.844 258 G HN 0.243 nan 8.290 nan 0.000 0.478 259 P HA 0.195 nan 4.420 nan 0.000 0.263 259 P C -0.353 176.952 177.300 0.008 0.000 1.195 259 P CA 0.158 63.264 63.100 0.010 0.000 0.762 259 P CB 0.492 32.220 31.700 0.047 0.000 0.799 260 L N 3.512 124.725 121.223 -0.017 0.000 2.292 260 L HA 0.365 4.704 4.340 -0.001 0.000 0.284 260 L C 0.680 177.495 176.870 -0.091 0.000 1.065 260 L CA -0.339 54.469 54.840 -0.055 0.000 0.806 260 L CB 0.960 42.977 42.059 -0.070 0.000 1.175 260 L HN 0.330 nan 8.230 nan 0.000 0.431 261 Q N 3.181 122.879 119.800 -0.170 0.000 2.333 261 Q HA 0.700 5.040 4.340 -0.001 0.000 0.267 261 Q C -1.597 174.228 176.000 -0.292 0.000 1.012 261 Q CA -0.625 54.962 55.803 -0.360 0.000 0.824 261 Q CB 2.230 30.484 28.738 -0.807 0.000 1.290 261 Q HN 0.709 nan 8.270 nan 0.000 0.449 262 A N 2.818 125.489 122.820 -0.248 0.000 2.343 262 A HA 0.744 5.064 4.320 -0.001 0.000 0.308 262 A C 0.080 177.583 177.584 -0.135 0.000 1.092 262 A CA -0.154 51.788 52.037 -0.160 0.000 0.751 262 A CB 1.263 20.208 19.000 -0.091 0.000 1.203 262 A HN 0.778 nan 8.150 nan 0.000 0.452 263 G N 0.965 109.709 108.800 -0.094 0.000 2.554 263 G HA2 0.403 4.363 3.960 -0.001 0.000 0.238 263 G HA3 0.403 4.363 3.960 -0.001 0.000 0.238 263 G C 0.273 175.185 174.900 0.019 0.000 1.259 263 G CA -0.206 44.879 45.100 -0.025 0.000 0.843 263 G HN 0.870 nan 8.290 nan 0.000 0.582 264 I N 1.207 121.809 120.570 0.055 0.000 2.948 264 I HA 0.350 4.520 4.170 -0.001 0.000 0.303 264 I C 0.983 177.159 176.117 0.098 0.000 1.224 264 I CA 1.892 63.245 61.300 0.089 0.000 1.442 264 I CB -0.023 38.046 38.000 0.116 0.000 1.328 264 I HN 1.453 nan 8.210 nan 0.000 0.578 265 G N 4.123 112.979 108.800 0.092 0.000 2.570 265 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.686 265 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.686 265 G C 0.263 175.204 174.900 0.070 0.000 1.257 265 G CA -0.241 44.912 45.100 0.088 0.000 0.846 265 G HN 0.768 nan 8.290 nan 0.000 0.627 266 S N 0.038 115.776 115.700 0.064 0.000 2.368 266 S HA -0.111 4.359 4.470 -0.001 0.000 0.225 266 S C 2.476 177.108 174.600 0.053 0.000 1.030 266 S CA 1.552 59.784 58.200 0.054 0.000 0.999 266 S CB -0.188 63.041 63.200 0.048 0.000 0.844 266 S HN 0.569 nan 8.310 nan 0.000 0.459 267 I N 2.287 122.893 120.570 0.060 0.000 2.142 267 I HA -0.159 4.011 4.170 -0.001 0.000 0.240 267 I C 2.850 178.999 176.117 0.053 0.000 1.078 267 I CA 1.514 62.850 61.300 0.060 0.000 1.343 267 I CB -1.742 36.302 38.000 0.074 0.000 1.046 267 I HN 0.292 nan 8.210 nan 0.000 0.405 268 A N 1.068 123.918 122.820 0.051 0.000 1.898 268 A HA -0.261 4.059 4.320 -0.001 0.000 0.216 268 A C 2.156 179.756 177.584 0.026 0.000 1.181 268 A CA 2.199 54.255 52.037 0.032 0.000 0.620 268 A CB -1.041 17.972 19.000 0.022 0.000 0.819 268 A HN 0.511 nan 8.150 nan 0.000 0.442 269 N N 0.240 118.959 118.700 0.032 0.000 2.120 269 N HA -0.093 4.646 4.740 -0.001 0.000 0.188 269 N C 1.713 177.243 175.510 0.033 0.000 1.024 269 N CA 2.005 55.073 53.050 0.030 0.000 0.852 269 N CB -0.345 38.165 38.487 0.038 0.000 1.003 269 N HN 0.341 nan 8.380 nan 0.000 0.424 270 A N 0.293 123.136 122.820 0.039 0.000 1.933 270 A HA 0.044 4.364 4.320 -0.001 0.000 0.218 270 A C 1.231 178.840 177.584 0.042 0.000 1.175 270 A CA 0.770 52.831 52.037 0.039 0.000 0.628 270 A CB -0.701 18.323 19.000 0.040 0.000 0.814 270 A HN 0.153 nan 8.150 nan 0.000 0.444 274 G N 1.104 109.937 108.800 0.056 0.000 2.479 274 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.220 274 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.220 274 G C 1.249 176.201 174.900 0.087 0.000 1.115 274 G CA 0.960 46.098 45.100 0.063 0.000 0.757 274 G HN 0.585 nan 8.290 nan 0.000 0.560 275 L N -0.002 121.286 121.223 0.109 0.000 2.552 275 L HA 0.201 4.541 4.340 -0.001 0.000 0.227 275 L C 2.467 179.397 176.870 0.100 0.000 1.146 275 L CA -0.113 54.819 54.840 0.153 0.000 0.858 275 L CB -0.153 42.014 42.059 0.180 0.000 0.969 275 L HN 0.209 nan 8.230 nan 0.000 0.451 276 I N -0.051 120.556 120.570 0.061 0.000 2.226 276 I HA -0.209 3.961 4.170 -0.001 0.000 0.245 276 I C 0.797 176.923 176.117 0.016 0.000 1.100 276 I CA 1.065 62.387 61.300 0.037 0.000 1.374 276 I CB 0.030 38.048 38.000 0.030 0.000 1.057 276 I HN 0.144 nan 8.210 nan 0.000 0.413 277 E N 1.598 121.807 120.200 0.016 0.000 1.979 277 E HA 0.137 4.487 4.350 -0.001 0.000 0.285 277 E C -0.408 176.172 176.600 -0.035 0.000 1.188 277 E CA -0.175 56.219 56.400 -0.009 0.000 1.214 277 E CB 0.125 29.823 29.700 -0.003 0.000 1.210 277 E HN 0.317 nan 8.360 nan 0.000 0.477 278 S N 0.040 115.688 115.700 -0.087 0.000 2.587 278 S HA 0.444 4.914 4.470 -0.001 0.000 0.269 278 S C -2.487 171.904 174.600 -0.347 0.000 1.154 278 S CA -1.205 56.848 58.200 -0.244 0.000 0.824 278 S CB 1.575 64.684 63.200 -0.151 0.000 1.118 278 S HN 0.006 nan 8.310 nan 0.000 0.462 279 P HA 0.272 nan 4.420 nan 0.000 0.249 279 P C -0.389 176.733 177.300 -0.296 0.000 1.229 279 P CA 0.048 62.897 63.100 -0.418 0.000 0.788 279 P CB -0.385 31.075 31.700 -0.400 0.000 1.072 280 F N 1.221 121.173 119.950 0.004 0.000 2.456 280 F HA 0.327 4.854 4.527 -0.001 0.000 0.358 280 F C 1.177 176.964 175.800 -0.022 0.000 1.095 280 F CA -0.152 57.836 58.000 -0.019 0.000 1.216 280 F CB 0.113 39.090 39.000 -0.038 0.000 1.125 280 F HN -0.197 nan 8.300 nan 0.000 0.549 281 E N 0.773 121.067 120.200 0.157 0.000 2.336 281 E HA 0.281 4.630 4.350 -0.001 0.000 0.267 281 E C -0.439 176.190 176.600 0.048 0.000 0.906 281 E CA -1.266 55.178 56.400 0.073 0.000 0.781 281 E CB 1.452 31.178 29.700 0.044 0.000 1.261 281 E HN 0.533 nan 8.360 nan 0.000 0.436 282 N N 0.290 119.009 118.700 0.031 0.000 2.714 282 N HA -0.204 4.536 4.740 -0.001 0.000 0.253 282 N C -0.641 174.876 175.510 0.012 0.000 1.024 282 N CA 0.201 53.263 53.050 0.020 0.000 0.726 282 N CB -1.194 37.300 38.487 0.012 0.000 0.908 282 N HN 0.282 nan 8.380 nan 0.000 0.542 283 L N -0.379 120.852 121.223 0.014 0.000 2.453 283 L HA 0.464 4.804 4.340 -0.001 0.000 0.261 283 L C 1.420 178.297 176.870 0.012 0.000 1.179 283 L CA -0.084 54.753 54.840 -0.005 0.000 0.813 283 L CB 0.740 42.793 42.059 -0.011 0.000 1.110 283 L HN 0.318 nan 8.230 nan 0.000 0.466 287 S N 1.794 117.368 115.700 -0.210 0.000 2.759 287 S HA 0.417 4.887 4.470 -0.001 0.000 0.310 287 S C 0.663 175.151 174.600 -0.188 0.000 1.123 287 S CA -0.046 57.992 58.200 -0.269 0.000 0.959 287 S CB 1.837 64.890 63.200 -0.245 0.000 1.172 287 S HN 0.825 nan 8.310 nan 0.000 0.539 288 E N 0.140 120.245 120.200 -0.159 0.000 2.110 288 E HA 0.206 4.555 4.350 -0.001 0.000 0.193 288 E C -0.430 176.070 176.600 -0.167 0.000 0.950 288 E CA 0.508 56.879 56.400 -0.049 0.000 0.840 288 E CB 0.336 30.152 29.700 0.193 0.000 0.809 288 E HN 0.415 nan 8.360 nan 0.000 0.465 289 V N 2.357 122.215 119.914 -0.093 0.000 2.547 289 V HA 0.336 4.455 4.120 -0.001 0.000 0.299 289 V C -0.218 175.830 176.094 -0.077 0.000 1.040 289 V CA -0.638 61.629 62.300 -0.055 0.000 0.913 289 V CB 1.711 33.573 31.823 0.065 0.000 0.992 289 V HN 0.193 nan 8.190 nan 0.000 0.449 290 L N 4.801 125.992 121.223 -0.054 0.000 2.305 290 L HA 0.572 4.912 4.340 -0.001 0.000 0.284 290 L C -0.056 176.843 176.870 0.049 0.000 1.013 290 L CA -0.242 54.562 54.840 -0.060 0.000 0.819 290 L CB 1.439 43.433 42.059 -0.108 0.000 1.227 290 L HN 0.680 nan 8.230 nan 0.000 0.417 291 Q N 0.802 120.624 119.800 0.038 0.000 2.576 291 Q HA 0.218 4.557 4.340 -0.001 0.000 0.249 291 Q C 0.057 176.143 176.000 0.143 0.000 1.041 291 Q CA -0.981 54.876 55.803 0.091 0.000 0.928 291 Q CB 1.530 30.301 28.738 0.056 0.000 1.302 291 Q HN 0.479 nan 8.270 nan 0.000 0.504 292 D N 0.457 120.931 120.400 0.123 0.000 2.157 292 D HA -0.225 4.415 4.640 -0.001 0.000 0.191 292 D C 1.912 178.277 176.300 0.108 0.000 1.004 292 D CA 2.273 56.349 54.000 0.126 0.000 0.854 292 D CB -0.420 40.420 40.800 0.067 0.000 0.936 292 D HN 0.543 nan 8.370 nan 0.000 0.446 293 S N -0.432 115.297 115.700 0.048 0.000 2.400 293 S HA -0.184 4.286 4.470 -0.001 0.000 0.232 293 S C 2.045 176.616 174.600 -0.048 0.000 1.025 293 S CA 1.688 59.894 58.200 0.011 0.000 0.993 293 S CB -0.826 62.377 63.200 0.006 0.000 0.808 293 S HN 0.171 nan 8.310 nan 0.000 0.478 294 T N 1.826 116.306 114.554 -0.124 0.000 2.684 294 T HA -0.027 4.323 4.350 -0.001 0.000 0.267 294 T C 1.250 175.690 174.700 -0.433 0.000 1.036 294 T CA 1.834 63.732 62.100 -0.338 0.000 1.148 294 T CB -0.583 67.947 68.868 -0.563 0.000 0.863 294 T HN 0.527 nan 8.240 nan 0.000 0.436 295 F N 1.532 121.385 119.950 -0.161 0.000 2.259 295 F HA 0.023 4.550 4.527 -0.001 0.000 0.298 295 F C 2.323 178.076 175.800 -0.079 0.000 1.088 295 F CA 0.505 58.378 58.000 -0.211 0.000 1.358 295 F CB -0.429 38.332 39.000 -0.398 0.000 1.040 295 F HN 0.085 nan 8.300 nan 0.000 0.505 296 D N 0.455 120.905 120.400 0.082 0.000 2.144 296 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 296 D C 2.405 178.730 176.300 0.041 0.000 0.984 296 D CA 1.155 55.193 54.000 0.064 0.000 0.834 296 D CB -0.481 40.347 40.800 0.046 0.000 0.955 296 D HN 0.264 nan 8.370 nan 0.000 0.465 297 L N 0.327 121.551 121.223 0.001 0.000 2.072 297 L HA -0.066 4.274 4.340 -0.001 0.000 0.205 297 L C 2.524 179.396 176.870 0.002 0.000 1.079 297 L CA 0.519 55.356 54.840 -0.006 0.000 0.752 297 L CB -0.173 41.865 42.059 -0.035 0.000 0.906 297 L HN -0.017 nan 8.230 nan 0.000 0.436 298 I N -0.088 120.475 120.570 -0.011 0.000 2.179 298 I HA -0.314 3.856 4.170 -0.001 0.000 0.242 298 I C 2.010 178.190 176.117 0.105 0.000 1.088 298 I CA 1.303 62.630 61.300 0.046 0.000 1.357 298 I CB -0.382 37.671 38.000 0.087 0.000 1.051 298 I HN 0.273 nan 8.210 nan 0.000 0.409 299 D N 1.034 121.523 120.400 0.148 0.000 2.178 299 D HA -0.119 4.521 4.640 -0.001 0.000 0.201 299 D C 2.115 178.455 176.300 0.068 0.000 0.980 299 D CA 1.374 55.450 54.000 0.127 0.000 0.842 299 D CB -0.136 40.752 40.800 0.146 0.000 0.948 299 D HN 0.348 nan 8.370 nan 0.000 0.472 300 A N -0.274 122.578 122.820 0.053 0.000 2.168 300 A HA 0.321 4.641 4.320 -0.001 0.000 0.215 300 A C 1.869 179.469 177.584 0.027 0.000 1.152 300 A CA 1.325 53.383 52.037 0.035 0.000 0.716 300 A CB -0.301 18.717 19.000 0.030 0.000 0.794 300 A HN 0.276 nan 8.150 nan 0.000 0.465 301 G N -0.939 107.879 108.800 0.030 0.000 2.159 301 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.256 301 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.256 301 G C 0.918 175.831 174.900 0.022 0.000 0.977 301 G CA 0.789 45.902 45.100 0.023 0.000 0.652 301 G HN 0.523 nan 8.290 nan 0.000 0.531 302 K N -1.252 119.163 120.400 0.023 0.000 2.211 302 K HA 0.272 4.592 4.320 -0.001 0.000 0.201 302 K C 0.773 177.386 176.600 0.021 0.000 1.052 302 K CA 0.348 56.652 56.287 0.027 0.000 0.973 302 K CB 0.288 32.810 32.500 0.037 0.000 0.766 302 K HN 0.314 nan 8.250 nan 0.000 0.466 303 L N 1.515 122.742 121.223 0.007 0.000 2.265 303 L HA 0.188 4.528 4.340 -0.001 0.000 0.289 303 L C 1.007 177.882 176.870 0.007 0.000 1.033 303 L CA 0.011 54.846 54.840 -0.009 0.000 0.814 303 L CB 1.087 43.111 42.059 -0.057 0.000 1.203 303 L HN -0.090 nan 8.230 nan 0.000 0.423 304 R N 3.868 124.392 120.500 0.039 0.000 2.093 304 R HA 0.089 4.428 4.340 -0.001 0.000 0.224 304 R C -0.592 175.802 176.300 0.157 0.000 1.101 304 R CA 0.753 56.903 56.100 0.082 0.000 0.979 304 R CB 0.268 30.618 30.300 0.083 0.000 0.877 304 R HN 0.557 nan 8.270 nan 0.000 0.441 305 F N -1.172 118.753 119.950 -0.041 0.000 2.672 305 F HA 0.482 5.009 4.527 -0.001 0.000 0.311 305 F C -1.910 173.846 175.800 -0.073 0.000 1.113 305 F CA -0.768 57.204 58.000 -0.046 0.000 0.996 305 F CB 1.830 40.816 39.000 -0.023 0.000 1.286 305 F HN -0.067 nan 8.300 nan 0.000 0.441 306 A N 3.375 125.786 122.820 -0.681 0.000 2.375 306 A HA 0.664 4.983 4.320 -0.001 0.000 0.295 306 A C -1.306 176.004 177.584 -0.457 0.000 1.066 306 A CA -0.515 51.277 52.037 -0.410 0.000 0.722 306 A CB 1.587 20.328 19.000 -0.433 0.000 1.206 306 A HN 0.740 nan 8.150 nan 0.000 0.435 307 S N 1.571 117.186 115.700 -0.141 0.000 2.489 307 S HA 0.831 5.300 4.470 -0.001 0.000 0.291 307 S C 0.326 174.746 174.600 -0.301 0.000 1.151 307 S CA 0.344 58.445 58.200 -0.165 0.000 1.082 307 S CB 1.037 64.143 63.200 -0.158 0.000 1.019 307 S HN 1.782 nan 8.310 nan 0.000 0.492 308 G N 1.230 109.872 108.800 -0.265 0.000 2.749 308 G HA2 0.483 4.442 3.960 -0.001 0.000 0.300 308 G HA3 0.483 4.442 3.960 -0.001 0.000 0.300 308 G C 0.010 174.770 174.900 -0.233 0.000 1.352 308 G CA -0.117 44.826 45.100 -0.263 0.000 0.789 308 G HN 0.611 nan 8.290 nan 0.000 0.509 309 S N -1.599 113.931 115.700 -0.284 0.000 2.506 309 S HA 0.425 4.895 4.470 -0.001 0.000 0.219 309 S C 0.666 175.071 174.600 -0.325 0.000 1.031 309 S CA 0.931 58.931 58.200 -0.333 0.000 0.911 309 S CB -0.093 62.777 63.200 -0.550 0.000 0.812 309 S HN 0.865 nan 8.310 nan 0.000 0.497 310 S N 0.268 115.788 115.700 -0.299 0.000 2.546 310 S HA 0.636 5.106 4.470 -0.001 0.000 0.272 310 S C -1.502 173.085 174.600 -0.021 0.000 1.140 310 S CA -0.656 57.449 58.200 -0.158 0.000 0.920 310 S CB 0.947 64.029 63.200 -0.198 0.000 1.083 310 S HN 0.289 nan 8.310 nan 0.000 0.476 311 I N 3.282 123.898 120.570 0.076 0.000 2.355 311 I HA 0.420 4.590 4.170 -0.001 0.000 0.288 311 I C -0.157 176.068 176.117 0.180 0.000 0.999 311 I CA -0.241 61.158 61.300 0.165 0.000 1.163 311 I CB 2.018 40.193 38.000 0.291 0.000 1.316 311 I HN 0.554 nan 8.210 nan 0.000 0.454 312 T N 7.724 122.378 114.554 0.165 0.000 2.949 312 T HA 0.681 5.031 4.350 -0.001 0.000 0.300 312 T C -0.961 173.816 174.700 0.128 0.000 0.988 312 T CA -0.337 61.852 62.100 0.148 0.000 0.993 312 T CB 0.445 69.398 68.868 0.141 0.000 0.984 312 T HN 0.342 nan 8.240 nan 0.000 0.442 313 L N 2.943 124.234 121.223 0.113 0.000 2.333 313 L HA 0.623 4.963 4.340 -0.001 0.000 0.263 313 L C 0.634 177.537 176.870 0.054 0.000 1.014 313 L CA -1.237 53.644 54.840 0.069 0.000 0.820 313 L CB 2.327 44.390 42.059 0.007 0.000 1.352 313 L HN 0.506 nan 8.230 nan 0.000 0.421 314 S N 1.332 117.054 115.700 0.036 0.000 2.584 314 S HA 0.102 4.571 4.470 -0.001 0.000 0.270 314 S C -1.674 172.939 174.600 0.020 0.000 1.346 314 S CA -0.838 57.379 58.200 0.029 0.000 1.018 314 S CB 0.885 64.100 63.200 0.025 0.000 0.899 314 S HN 0.465 nan 8.310 nan 0.000 0.542 315 P HA -0.196 nan 4.420 nan 0.000 0.214 315 P C 1.746 179.052 177.300 0.010 0.000 1.163 315 P CA 1.134 64.245 63.100 0.018 0.000 0.889 315 P CB 0.031 31.739 31.700 0.014 0.000 0.790 316 R N 0.468 120.970 120.500 0.003 0.000 2.119 316 R HA -0.052 4.287 4.340 -0.001 0.000 0.222 316 R C 2.086 178.372 176.300 -0.024 0.000 1.088 316 R CA 1.505 57.603 56.100 -0.003 0.000 0.984 316 R CB -1.394 28.906 30.300 0.000 0.000 0.884 316 R HN -0.022 nan 8.270 nan 0.000 0.447 317 R N 1.494 121.970 120.500 -0.039 0.000 2.081 317 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 317 R C 1.982 178.185 176.300 -0.162 0.000 1.131 317 R CA 2.146 58.184 56.100 -0.103 0.000 0.960 317 R CB -1.057 29.187 30.300 -0.093 0.000 0.856 317 R HN 0.484 nan 8.270 nan 0.000 0.436 318 N N -0.216 118.443 118.700 -0.068 0.000 2.069 318 N HA -0.144 4.595 4.740 -0.001 0.000 0.191 318 N C 1.521 177.066 175.510 0.060 0.000 1.031 318 N CA 2.110 55.174 53.050 0.024 0.000 0.852 318 N CB -0.390 38.163 38.487 0.110 0.000 1.018 318 N HN 0.343 nan 8.380 nan 0.000 0.423 319 A N -0.056 122.783 122.820 0.031 0.000 1.902 319 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 319 A C 2.040 179.628 177.584 0.007 0.000 1.181 319 A CA 2.090 54.150 52.037 0.038 0.000 0.623 319 A CB -1.050 17.962 19.000 0.021 0.000 0.818 319 A HN 0.579 nan 8.150 nan 0.000 0.443 320 D N -0.577 119.798 120.400 -0.041 0.000 2.097 320 D HA -0.119 4.521 4.640 -0.001 0.000 0.195 320 D C 1.804 178.054 176.300 -0.083 0.000 0.989 320 D CA 1.680 55.654 54.000 -0.044 0.000 0.827 320 D CB -0.139 40.635 40.800 -0.043 0.000 0.966 320 D HN 0.144 nan 8.370 nan 0.000 0.456 321 V N -0.330 119.406 119.914 -0.297 0.000 2.270 321 V HA -0.176 3.943 4.120 -0.001 0.000 0.245 321 V C 2.082 177.928 176.094 -0.414 0.000 1.043 321 V CA 1.525 63.493 62.300 -0.553 0.000 1.014 321 V CB -0.648 30.363 31.823 -1.354 0.000 0.645 321 V HN 0.189 nan 8.190 nan 0.000 0.447 322 F N 0.990 120.886 119.950 -0.090 0.000 2.615 322 F HA 0.194 4.721 4.527 -0.001 0.000 0.297 322 F C 2.211 178.013 175.800 0.003 0.000 1.124 322 F CA 0.847 58.832 58.000 -0.024 0.000 1.451 322 F CB -0.903 38.094 39.000 -0.005 0.000 1.103 322 F HN 0.179 nan 8.300 nan 0.000 0.569 323 G N -0.626 108.242 108.800 0.114 0.000 2.511 323 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.217 323 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.217 323 G C 0.868 175.799 174.900 0.051 0.000 1.133 323 G CA 0.238 45.382 45.100 0.074 0.000 0.792 323 G HN 0.271 nan 8.290 nan 0.000 0.539 324 N N 0.395 119.118 118.700 0.038 0.000 2.610 324 N HA 0.108 4.847 4.740 -0.001 0.000 0.307 324 N C 0.696 176.226 175.510 0.035 0.000 1.813 324 N CA -0.340 52.726 53.050 0.026 0.000 0.901 324 N CB 1.383 39.879 38.487 0.014 0.000 1.354 324 N HN 0.040 nan 8.380 nan 0.000 0.491 325 L N 2.222 123.473 121.223 0.047 0.000 2.127 325 L HA -0.156 4.184 4.340 -0.001 0.000 0.211 325 L C 2.512 179.411 176.870 0.048 0.000 1.089 325 L CA 1.945 56.819 54.840 0.057 0.000 0.757 325 L CB -0.216 41.897 42.059 0.090 0.000 0.899 325 L HN 0.297 nan 8.230 nan 0.000 0.434 326 E N -0.220 119.987 120.200 0.012 0.000 2.209 326 E HA -0.327 4.023 4.350 -0.001 0.000 0.196 326 E C 2.173 178.728 176.600 -0.074 0.000 0.993 326 E CA 1.376 57.768 56.400 -0.014 0.000 0.819 326 E CB -0.750 28.941 29.700 -0.015 0.000 0.745 326 E HN 0.610 nan 8.360 nan 0.000 0.477 327 R N -0.343 120.060 120.500 -0.162 0.000 2.148 327 R HA -0.121 4.218 4.340 -0.001 0.000 0.227 327 R C 0.950 176.941 176.300 -0.515 0.000 1.103 327 R CA 1.333 57.198 56.100 -0.391 0.000 0.983 327 R CB 0.010 29.957 30.300 -0.589 0.000 0.874 327 R HN 0.243 nan 8.270 nan 0.000 0.451 328 Y N -1.229 119.066 120.300 -0.008 0.000 2.430 328 Y HA 0.194 4.744 4.550 -0.001 0.000 0.254 328 Y C 1.765 177.653 175.900 -0.020 0.000 1.088 328 Y CA -0.136 57.970 58.100 0.011 0.000 1.267 328 Y CB 0.277 38.797 38.460 0.099 0.000 1.204 328 Y HN -0.089 nan 8.280 nan 0.000 0.515 329 K N 1.316 121.775 120.400 0.098 0.000 2.097 329 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 329 K C 1.273 177.902 176.600 0.049 0.000 1.049 329 K CA 2.036 58.360 56.287 0.062 0.000 0.933 329 K CB -0.126 32.404 32.500 0.049 0.000 0.717 329 K HN 0.336 nan 8.250 nan 0.000 0.442 330 D N 0.055 120.490 120.400 0.057 0.000 2.371 330 D HA -0.130 4.509 4.640 -0.001 0.000 0.221 330 D C 0.528 176.926 176.300 0.164 0.000 0.986 330 D CA 0.791 54.851 54.000 0.101 0.000 0.899 330 D CB 0.107 40.951 40.800 0.073 0.000 0.902 330 D HN 0.288 nan 8.370 nan 0.000 0.530 331 K N -0.137 120.272 120.400 0.015 0.000 2.438 331 K HA 0.330 4.650 4.320 -0.001 0.000 0.205 331 K C 0.064 176.137 176.600 -0.879 0.000 1.033 331 K CA -0.105 56.068 56.287 -0.190 0.000 1.089 331 K CB 1.276 33.736 32.500 -0.066 0.000 0.857 331 K HN 0.079 nan 8.250 nan 0.000 0.522 332 L N 0.224 121.061 121.223 -0.642 0.000 2.376 332 L HA 0.627 4.966 4.340 -0.001 0.000 0.258 332 L C -1.190 175.502 176.870 -0.296 0.000 1.013 332 L CA -1.253 53.227 54.840 -0.599 0.000 0.822 332 L CB 2.460 44.376 42.059 -0.238 0.000 1.388 332 L HN -0.298 nan 8.230 nan 0.000 0.413 333 V N 2.405 122.202 119.914 -0.195 0.000 3.077 333 V HA 0.528 4.648 4.120 -0.001 0.000 0.299 333 V C -1.666 174.390 176.094 -0.064 0.000 1.276 333 V CA -0.342 61.952 62.300 -0.010 0.000 0.993 333 V CB 2.634 34.575 31.823 0.195 0.000 1.076 333 V HN 0.550 nan 8.190 nan 0.000 0.434 334 L N 6.225 127.417 121.223 -0.053 0.000 2.341 334 L HA 0.722 5.062 4.340 -0.001 0.000 0.278 334 L C -0.100 176.785 176.870 0.026 0.000 1.005 334 L CA -0.658 54.162 54.840 -0.033 0.000 0.818 334 L CB 1.987 44.050 42.059 0.006 0.000 1.259 334 L HN 0.632 nan 8.230 nan 0.000 0.418 335 R N 2.493 122.982 120.500 -0.019 0.000 2.892 335 R HA 0.556 4.895 4.340 -0.001 0.000 0.265 335 R C -2.655 173.636 176.300 -0.015 0.000 1.025 335 R CA -2.132 53.976 56.100 0.013 0.000 0.982 335 R CB 1.387 31.692 30.300 0.009 0.000 1.185 335 R HN 0.261 nan 8.270 nan 0.000 0.484 336 P HA -0.095 nan 4.420 nan 0.000 0.267 336 P C 0.074 177.368 177.300 -0.010 0.000 1.200 336 P CA 0.154 63.249 63.100 -0.008 0.000 0.772 336 P CB 0.537 32.251 31.700 0.024 0.000 0.855 337 Q N 2.323 122.103 119.800 -0.033 0.000 2.291 337 Q HA -0.239 4.101 4.340 -0.001 0.000 0.206 337 Q C 1.644 177.680 176.000 0.061 0.000 0.976 337 Q CA 1.386 57.184 55.803 -0.007 0.000 0.875 337 Q CB -0.499 28.290 28.738 0.085 0.000 0.927 337 Q HN 0.524 nan 8.270 nan 0.000 0.450 338 E N 0.550 120.794 120.200 0.074 0.000 2.077 338 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 338 E C 1.719 178.432 176.600 0.187 0.000 0.989 338 E CA 1.236 57.703 56.400 0.111 0.000 0.800 338 E CB 0.154 29.934 29.700 0.134 0.000 0.746 338 E HN 0.442 nan 8.360 nan 0.000 0.452 339 I N 0.947 121.630 120.570 0.188 0.000 2.585 339 I HA -0.138 4.032 4.170 -0.001 0.000 0.254 339 I C 2.631 178.910 176.117 0.269 0.000 1.129 339 I CA 1.061 62.505 61.300 0.241 0.000 1.455 339 I CB -1.327 36.801 38.000 0.214 0.000 1.111 339 I HN 0.137 nan 8.210 nan 0.000 0.433 340 S N 1.318 117.104 115.700 0.143 0.000 2.442 340 S HA -0.103 4.366 4.470 -0.001 0.000 0.236 340 S C 1.284 176.054 174.600 0.283 0.000 1.007 340 S CA 1.192 59.443 58.200 0.085 0.000 0.965 340 S CB -0.380 62.770 63.200 -0.084 0.000 0.773 340 S HN 0.411 nan 8.310 nan 0.000 0.504 341 N N -0.136 118.631 118.700 0.111 0.000 2.177 341 N HA 0.224 4.964 4.740 -0.001 0.000 0.218 341 N C -0.477 174.902 175.510 -0.219 0.000 1.182 341 N CA -0.194 52.705 53.050 -0.252 0.000 0.882 341 N CB -0.006 38.347 38.487 -0.222 0.000 1.052 341 N HN 0.602 nan 8.380 nan 0.000 0.519 342 H N 1.151 120.191 119.070 -0.050 0.000 2.929 342 H HA 0.085 4.641 4.556 -0.001 0.000 0.317 342 H C -1.401 173.876 175.328 -0.084 0.000 1.031 342 H CA -1.180 54.843 56.048 -0.042 0.000 1.466 342 H CB 1.239 31.017 29.762 0.027 0.000 1.482 342 H HN -0.019 nan 8.280 nan 0.000 0.561 343 P HA -0.258 nan 4.420 nan 0.000 0.216 343 P C 1.174 178.540 177.300 0.110 0.000 1.154 343 P CA 1.901 64.985 63.100 -0.027 0.000 0.865 343 P CB 0.173 31.825 31.700 -0.082 0.000 0.789 344 E N -0.543 119.860 120.200 0.339 0.000 2.110 344 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 344 E C 1.624 178.238 176.600 0.024 0.000 0.988 344 E CA 1.304 57.785 56.400 0.135 0.000 0.804 344 E CB -0.551 29.181 29.700 0.054 0.000 0.745 344 E HN -0.003 nan 8.360 nan 0.000 0.458 345 V N 0.583 120.516 119.914 0.032 0.000 2.488 345 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 345 V C 2.415 178.445 176.094 -0.106 0.000 1.046 345 V CA 1.113 63.358 62.300 -0.092 0.000 1.053 345 V CB 0.179 31.943 31.823 -0.099 0.000 0.679 345 V HN 0.216 nan 8.190 nan 0.000 0.458 346 V N 0.282 120.184 119.914 -0.020 0.000 2.295 346 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 346 V C 2.539 178.640 176.094 0.011 0.000 1.049 346 V CA 2.546 64.857 62.300 0.018 0.000 1.024 346 V CB -0.724 31.098 31.823 -0.002 0.000 0.648 346 V HN 0.489 nan 8.190 nan 0.000 0.447 347 R N -0.162 120.340 120.500 0.003 0.000 2.115 347 R HA -0.117 4.223 4.340 -0.001 0.000 0.226 347 R C 2.486 178.772 176.300 -0.023 0.000 1.100 347 R CA 1.272 57.376 56.100 0.006 0.000 0.980 347 R CB -0.226 30.082 30.300 0.012 0.000 0.875 347 R HN 0.435 nan 8.270 nan 0.000 0.445 348 R N 0.345 120.814 120.500 -0.051 0.000 2.073 348 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 348 R C 1.973 178.214 176.300 -0.098 0.000 1.134 348 R CA 1.660 57.713 56.100 -0.078 0.000 0.952 348 R CB -0.243 29.995 30.300 -0.103 0.000 0.850 348 R HN 0.273 nan 8.270 nan 0.000 0.433 349 L N -0.510 120.639 121.223 -0.124 0.000 2.313 349 L HA 0.149 4.489 4.340 -0.001 0.000 0.214 349 L C 0.979 177.796 176.870 -0.090 0.000 1.119 349 L CA 0.576 55.334 54.840 -0.136 0.000 0.809 349 L CB -0.071 41.859 42.059 -0.215 0.000 0.933 349 L HN 0.638 nan 8.230 nan 0.000 0.449 350 G N 1.592 110.365 108.800 -0.044 0.000 2.326 350 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.286 350 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.286 350 G C 0.059 174.991 174.900 0.053 0.000 1.096 350 G CA -0.283 44.808 45.100 -0.014 0.000 1.003 350 G HN 0.242 nan 8.290 nan 0.000 0.503 351 I N -0.110 120.517 120.570 0.095 0.000 2.752 351 I HA 0.131 4.300 4.170 -0.001 0.000 0.287 351 I C 1.236 177.432 176.117 0.132 0.000 1.188 351 I CA 0.162 61.536 61.300 0.122 0.000 1.427 351 I CB 0.615 38.745 38.000 0.217 0.000 1.365 351 I HN 0.124 nan 8.210 nan 0.000 0.585 352 I N 5.471 126.089 120.570 0.080 0.000 2.306 352 I HA 0.267 4.437 4.170 -0.001 0.000 0.288 352 I C 0.672 176.785 176.117 -0.007 0.000 1.036 352 I CA -0.111 61.225 61.300 0.060 0.000 1.221 352 I CB 0.832 38.862 38.000 0.049 0.000 1.385 352 I HN 0.596 nan 8.210 nan 0.000 0.472 353 G N 7.331 116.105 108.800 -0.043 0.000 2.343 353 G HA2 0.721 4.681 3.960 -0.001 0.000 0.319 353 G HA3 0.721 4.681 3.960 -0.001 0.000 0.319 353 G C -0.632 174.141 174.900 -0.211 0.000 1.126 353 G CA -0.394 44.617 45.100 -0.149 0.000 0.889 353 G HN 0.523 nan 8.290 nan 0.000 0.457 354 I N 2.812 123.253 120.570 -0.215 0.000 2.448 354 I HA 0.308 4.477 4.170 -0.001 0.000 0.281 354 I C -0.792 175.201 176.117 -0.207 0.000 1.027 354 I CA -0.745 60.436 61.300 -0.197 0.000 1.111 354 I CB 1.486 39.439 38.000 -0.079 0.000 1.236 354 I HN 0.320 nan 8.210 nan 0.000 0.452 355 N N 3.432 121.953 118.700 -0.298 0.000 2.262 355 N HA 0.468 5.208 4.740 -0.001 0.000 0.295 355 N C -0.913 174.653 175.510 0.093 0.000 1.161 355 N CA -0.606 52.363 53.050 -0.135 0.000 0.767 355 N CB 2.644 41.006 38.487 -0.207 0.000 1.499 355 N HN 0.309 nan 8.380 nan 0.000 0.476 356 T N 0.791 115.472 114.554 0.211 0.000 2.845 356 T HA 0.532 4.881 4.350 -0.001 0.000 0.288 356 T C 0.116 175.029 174.700 0.354 0.000 0.980 356 T CA -0.481 61.771 62.100 0.253 0.000 1.071 356 T CB 1.088 70.061 68.868 0.174 0.000 0.941 356 T HN 0.541 nan 8.240 nan 0.000 0.487 357 A N 2.844 125.865 122.820 0.335 0.000 2.306 357 A HA 0.581 4.901 4.320 -0.001 0.000 0.314 357 A C 1.257 178.954 177.584 0.189 0.000 1.164 357 A CA -0.739 51.456 52.037 0.263 0.000 0.822 357 A CB 0.420 19.593 19.000 0.288 0.000 1.130 357 A HN 1.015 nan 8.150 nan 0.000 0.496 358 L N 1.018 122.332 121.223 0.152 0.000 2.044 358 L HA 0.091 4.430 4.340 -0.001 0.000 0.205 358 L C 0.877 177.784 176.870 0.062 0.000 1.075 358 L CA 1.873 56.773 54.840 0.100 0.000 0.747 358 L CB -0.138 41.979 42.059 0.097 0.000 0.903 358 L HN 0.930 nan 8.230 nan 0.000 0.435 359 E N -1.487 118.756 120.200 0.072 0.000 2.423 359 E HA 0.382 4.731 4.350 -0.001 0.000 0.280 359 E C -1.374 175.274 176.600 0.080 0.000 1.030 359 E CA -0.889 55.505 56.400 -0.010 0.000 0.812 359 E CB 1.397 31.091 29.700 -0.009 0.000 1.313 359 E HN 0.060 nan 8.360 nan 0.000 0.456 360 F N -0.370 119.567 119.950 -0.021 0.000 2.643 360 F HA 0.717 5.244 4.527 -0.001 0.000 0.314 360 F C -1.356 174.411 175.800 -0.055 0.000 1.096 360 F CA -1.014 56.958 58.000 -0.047 0.000 0.953 360 F CB 1.143 40.104 39.000 -0.065 0.000 1.345 360 F HN 0.528 nan 8.300 nan 0.000 0.468 361 D N 0.723 121.264 120.400 0.235 0.000 2.506 361 D HA 0.333 4.973 4.640 -0.001 0.000 0.254 361 D C 1.053 177.387 176.300 0.056 0.000 1.089 361 D CA -0.551 53.492 54.000 0.071 0.000 1.050 361 D CB 0.908 41.737 40.800 0.048 0.000 1.221 361 D HN 0.795 nan 8.370 nan 0.000 0.589 362 I N -3.254 117.198 120.570 -0.196 0.000 3.083 362 I HA -0.048 4.121 4.170 -0.001 0.000 0.273 362 I C 0.255 176.017 176.117 -0.593 0.000 1.297 362 I CA 0.749 61.785 61.300 -0.439 0.000 1.452 362 I CB -0.490 37.113 38.000 -0.662 0.000 1.078 362 I HN 0.181 nan 8.210 nan 0.000 0.484 363 Y N 1.717 121.997 120.300 -0.032 0.000 2.467 363 Y HA 0.478 5.028 4.550 -0.000 0.000 0.250 363 Y C 1.805 177.666 175.900 -0.065 0.000 1.155 363 Y CA -0.281 57.780 58.100 -0.065 0.000 1.249 363 Y CB 0.618 39.056 38.460 -0.038 0.000 1.146 363 Y HN 0.328 nan 8.280 nan 0.000 0.524 364 G N 0.034 108.864 108.800 0.051 0.000 2.159 364 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.227 364 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.227 364 G C -0.050 174.844 174.900 -0.010 0.000 0.986 364 G CA -0.395 44.688 45.100 -0.027 0.000 0.651 364 G HN 0.280 nan 8.290 nan 0.000 0.523 365 N N -0.065 118.666 118.700 0.053 0.000 2.525 365 N HA 0.473 5.212 4.740 -0.001 0.000 0.271 365 N C -0.272 175.254 175.510 0.026 0.000 1.194 365 N CA 0.180 53.249 53.050 0.032 0.000 0.964 365 N CB 2.173 40.688 38.487 0.046 0.000 1.126 365 N HN 0.099 nan 8.380 nan 0.000 0.452 366 V N 1.925 121.818 119.914 -0.035 0.000 2.588 366 V HA 0.231 4.351 4.120 -0.001 0.000 0.304 366 V C -0.103 175.983 176.094 -0.013 0.000 1.042 366 V CA -0.935 61.319 62.300 -0.077 0.000 0.877 366 V CB 1.879 33.407 31.823 -0.492 0.000 0.996 366 V HN 0.607 nan 8.190 nan 0.000 0.425 367 N N 2.241 120.971 118.700 0.051 0.000 2.424 367 N HA 0.328 5.068 4.740 -0.001 0.000 0.271 367 N C 0.286 175.887 175.510 0.152 0.000 0.985 367 N CA -0.206 52.916 53.050 0.121 0.000 0.921 367 N CB 1.952 40.516 38.487 0.128 0.000 1.149 367 N HN 0.545 nan 8.380 nan 0.000 0.492 368 S N 1.124 116.944 115.700 0.200 0.000 2.539 368 S HA 0.059 4.528 4.470 -0.001 0.000 0.221 368 S C 1.087 175.807 174.600 0.199 0.000 0.987 368 S CA 0.316 58.659 58.200 0.238 0.000 0.929 368 S CB 0.373 63.786 63.200 0.355 0.000 0.832 368 S HN 0.848 nan 8.310 nan 0.000 0.492 369 T N -2.208 112.449 114.554 0.172 0.000 3.236 369 T HA 0.235 4.584 4.350 -0.001 0.000 0.265 369 T C -0.219 174.445 174.700 -0.060 0.000 0.912 369 T CA -0.059 62.084 62.100 0.072 0.000 0.946 369 T CB 0.042 68.963 68.868 0.089 0.000 1.241 369 T HN 0.218 nan 8.240 nan 0.000 0.513 370 H N 1.361 120.339 119.070 -0.153 0.000 2.551 370 H HA 0.698 5.253 4.556 -0.001 0.000 0.321 370 H C -0.645 174.639 175.328 -0.074 0.000 1.028 370 H CA -0.645 55.300 56.048 -0.172 0.000 1.215 370 H CB 1.486 31.066 29.762 -0.302 0.000 1.414 370 H HN 0.113 nan 8.280 nan 0.000 0.480 371 V N 3.039 122.968 119.914 0.025 0.000 2.508 371 V HA 0.229 4.349 4.120 -0.001 0.000 0.281 371 V C 1.394 177.509 176.094 0.034 0.000 1.041 371 V CA 0.729 63.046 62.300 0.029 0.000 1.016 371 V CB 0.788 32.612 31.823 0.001 0.000 0.984 371 V HN 1.161 nan 8.190 nan 0.000 0.478 372 G N 3.930 112.753 108.800 0.037 0.000 2.203 372 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.263 372 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.263 372 G C 1.182 176.046 174.900 -0.060 0.000 1.012 372 G CA 0.696 45.799 45.100 0.004 0.000 0.749 372 G HN 2.265 nan 8.290 nan 0.000 0.512 373 G N -2.136 106.631 108.800 -0.054 0.000 2.189 373 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.267 373 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.267 373 G C 1.401 176.341 174.900 0.066 0.000 0.975 373 G CA 2.147 47.231 45.100 -0.026 0.000 0.644 373 G HN 2.287 nan 8.290 nan 0.000 0.537 374 T N -3.426 111.196 114.554 0.115 0.000 3.010 374 T HA 0.431 4.780 4.350 -0.001 0.000 0.252 374 T C 1.047 175.800 174.700 0.089 0.000 0.963 374 T CA 0.940 63.120 62.100 0.132 0.000 0.952 374 T CB 0.660 69.559 68.868 0.051 0.000 1.182 374 T HN 0.472 nan 8.240 nan 0.000 0.495 379 G N 0.906 109.641 108.800 -0.108 0.000 2.333 379 G HA2 0.136 4.095 3.960 -0.001 0.000 0.330 379 G HA3 0.136 4.095 3.960 -0.001 0.000 0.330 379 G C 0.009 175.195 174.900 0.478 0.000 1.465 379 G CA -0.259 45.006 45.100 0.275 0.000 0.996 379 G HN 0.125 nan 8.290 nan 0.000 0.655 380 I N 0.819 121.611 120.570 0.370 0.000 2.493 380 I HA 0.230 4.400 4.170 -0.001 0.000 0.254 380 I C 1.940 178.296 176.117 0.399 0.000 1.160 380 I CA 2.530 64.036 61.300 0.343 0.000 1.445 380 I CB -0.356 37.764 38.000 0.200 0.000 1.086 380 I HN 2.013 nan 8.210 nan 0.000 0.433 381 G N 0.174 109.206 108.800 0.386 0.000 2.574 381 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.286 381 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.286 381 G C 0.750 175.757 174.900 0.179 0.000 1.212 381 G CA 0.043 45.176 45.100 0.056 0.000 0.979 381 G HN 0.555 nan 8.290 nan 0.000 0.557 382 G N -0.174 108.741 108.800 0.191 0.000 3.042 382 G HA2 0.376 4.336 3.960 -0.001 0.000 0.212 382 G HA3 0.376 4.336 3.960 -0.001 0.000 0.212 382 G C 1.936 177.085 174.900 0.416 0.000 1.166 382 G CA 1.497 46.785 45.100 0.313 0.000 0.767 382 G HN 1.847 nan 8.290 nan 0.000 0.546 383 S N 0.375 116.321 115.700 0.410 0.000 2.383 383 S HA -0.051 4.418 4.470 -0.001 0.000 0.229 383 S C 2.374 177.241 174.600 0.446 0.000 1.030 383 S CA 1.649 60.106 58.200 0.427 0.000 1.002 383 S CB -0.597 62.916 63.200 0.521 0.000 0.829 383 S HN 0.312 nan 8.310 nan 0.000 0.467 384 G N 1.543 110.683 108.800 0.568 0.000 2.396 384 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.214 384 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.214 384 G C 1.155 176.078 174.900 0.039 0.000 1.166 384 G CA 0.732 46.089 45.100 0.428 0.000 0.793 384 G HN 0.471 nan 8.290 nan 0.000 0.533 385 D N 0.692 121.051 120.400 -0.069 0.000 2.116 385 D HA -0.118 4.522 4.640 -0.001 0.000 0.193 385 D C 2.113 178.234 176.300 -0.299 0.000 0.998 385 D CA 0.953 54.785 54.000 -0.280 0.000 0.836 385 D CB -0.276 40.282 40.800 -0.403 0.000 0.951 385 D HN 0.364 nan 8.370 nan 0.000 0.449 386 F N 1.068 121.040 119.950 0.037 0.000 2.179 386 F HA 0.098 4.625 4.527 -0.000 0.000 0.292 386 F C 2.547 178.343 175.800 -0.006 0.000 1.089 386 F CA 0.665 58.674 58.000 0.015 0.000 1.295 386 F CB -0.784 38.215 39.000 -0.001 0.000 1.041 386 F HN -0.114 nan 8.300 nan 0.000 0.487 387 A N 0.292 123.209 122.820 0.161 0.000 1.883 387 A HA -0.254 4.066 4.320 -0.001 0.000 0.217 387 A C 2.185 179.836 177.584 0.112 0.000 1.186 387 A CA 2.079 54.169 52.037 0.089 0.000 0.624 387 A CB -0.768 18.298 19.000 0.110 0.000 0.822 387 A HN 0.263 nan 8.150 nan 0.000 0.444 388 R N 0.516 121.081 120.500 0.108 0.000 2.105 388 R HA -0.114 4.226 4.340 -0.001 0.000 0.239 388 R C 0.854 177.186 176.300 0.054 0.000 1.135 388 R CA 2.353 58.500 56.100 0.078 0.000 0.967 388 R CB -0.679 29.635 30.300 0.024 0.000 0.861 388 R HN 0.684 nan 8.270 nan 0.000 0.442 389 N N -0.893 117.831 118.700 0.040 0.000 2.184 389 N HA 0.283 5.023 4.740 -0.001 0.000 0.206 389 N C -0.806 174.748 175.510 0.073 0.000 1.151 389 N CA 0.200 53.272 53.050 0.037 0.000 0.878 389 N CB 1.041 39.526 38.487 -0.003 0.000 1.014 389 N HN 0.218 nan 8.380 nan 0.000 0.512 390 A N 0.181 123.059 122.820 0.097 0.000 2.386 390 A HA 0.083 4.402 4.320 -0.001 0.000 0.248 390 A C 1.007 178.669 177.584 0.130 0.000 1.082 390 A CA -0.031 52.080 52.037 0.124 0.000 0.789 390 A CB 0.260 19.322 19.000 0.103 0.000 1.025 390 A HN 0.421 nan 8.150 nan 0.000 0.490 391 H N 1.048 120.144 119.070 0.044 0.000 2.357 391 H HA 0.161 4.717 4.556 -0.001 0.000 0.301 391 H C -0.152 175.208 175.328 0.055 0.000 1.082 391 H CA 1.908 57.980 56.048 0.039 0.000 1.342 391 H CB -0.080 29.697 29.762 0.024 0.000 1.389 391 H HN 0.388 nan 8.280 nan 0.000 0.511 392 L N 0.696 121.886 121.223 -0.055 0.000 2.406 392 L HA 0.565 4.905 4.340 -0.001 0.000 0.272 392 L C -0.911 175.930 176.870 -0.048 0.000 0.980 392 L CA -0.777 54.009 54.840 -0.089 0.000 0.831 392 L CB 2.134 44.167 42.059 -0.043 0.000 1.253 392 L HN 0.181 nan 8.230 nan 0.000 0.406 393 A N 5.671 128.448 122.820 -0.072 0.000 2.280 393 A HA 0.746 5.066 4.320 -0.001 0.000 0.320 393 A C -0.507 176.945 177.584 -0.220 0.000 1.366 393 A CA -0.245 51.704 52.037 -0.146 0.000 0.938 393 A CB -0.061 18.910 19.000 -0.047 0.000 1.157 393 A HN 0.633 nan 8.150 nan 0.000 0.536 394 I N 2.348 122.710 120.570 -0.347 0.000 2.378 394 I HA 0.450 4.620 4.170 -0.001 0.000 0.291 394 I C -1.027 174.804 176.117 -0.475 0.000 0.992 394 I CA -0.311 60.803 61.300 -0.311 0.000 1.154 394 I CB 1.498 39.361 38.000 -0.227 0.000 1.315 394 I HN 0.529 nan 8.210 nan 0.000 0.448 395 F N 5.643 125.502 119.950 -0.152 0.000 2.495 395 F HA 0.643 5.170 4.527 -0.001 0.000 0.327 395 F C 0.023 175.780 175.800 -0.072 0.000 1.103 395 F CA -0.796 57.146 58.000 -0.096 0.000 0.949 395 F CB 2.096 41.040 39.000 -0.093 0.000 1.142 395 F HN 0.139 nan 8.300 nan 0.000 0.457 396 V N -0.315 119.712 119.914 0.188 0.000 2.914 396 V HA 0.977 5.097 4.120 -0.001 0.000 0.314 396 V C -0.711 175.509 176.094 0.209 0.000 1.084 396 V CA -0.471 61.919 62.300 0.151 0.000 0.963 396 V CB 1.628 33.498 31.823 0.078 0.000 1.025 396 V HN 0.867 nan 8.190 nan 0.000 0.432 397 T N 1.574 116.248 114.554 0.201 0.000 3.003 397 T HA 0.329 4.678 4.350 -0.001 0.000 0.354 397 T C -0.893 173.881 174.700 0.123 0.000 1.651 397 T CA -0.764 61.433 62.100 0.162 0.000 1.103 397 T CB 1.636 70.609 68.868 0.176 0.000 1.450 397 T HN 1.030 nan 8.240 nan 0.000 0.484 398 K N 1.660 122.108 120.400 0.080 0.000 2.440 398 K HA 0.198 4.518 4.320 -0.001 0.000 0.270 398 K C 1.483 178.096 176.600 0.022 0.000 0.980 398 K CA 0.409 56.732 56.287 0.060 0.000 0.953 398 K CB 0.481 33.005 32.500 0.039 0.000 0.925 398 K HN 0.696 nan 8.250 nan 0.000 0.497 399 S N 1.456 117.172 115.700 0.028 0.000 2.527 399 S HA 0.030 4.499 4.470 -0.001 0.000 0.222 399 S C 0.786 175.318 174.600 -0.114 0.000 0.985 399 S CA -0.039 58.150 58.200 -0.019 0.000 0.921 399 S CB -0.642 62.612 63.200 0.090 0.000 0.772 399 S HN 0.559 nan 8.310 nan 0.000 0.529 400 I N -3.161 117.331 120.570 -0.129 0.000 3.195 400 I HA 0.937 5.107 4.170 -0.001 0.000 0.313 400 I C -0.700 175.330 176.117 -0.145 0.000 1.237 400 I CA -1.647 59.529 61.300 -0.208 0.000 0.963 400 I CB 1.666 39.471 38.000 -0.326 0.000 1.278 400 I HN 0.050 nan 8.210 nan 0.000 0.460 401 A N 1.739 124.469 122.820 -0.150 0.000 2.564 401 A HA 0.822 5.142 4.320 -0.001 0.000 0.288 401 A C -0.515 177.005 177.584 -0.107 0.000 1.164 401 A CA -0.877 51.099 52.037 -0.102 0.000 0.712 401 A CB 1.122 20.074 19.000 -0.081 0.000 1.303 401 A HN 0.759 nan 8.150 nan 0.000 0.418 402 K N -0.261 120.094 120.400 -0.075 0.000 3.278 402 K HA -0.110 4.209 4.320 -0.001 0.000 0.270 402 K C 0.840 177.398 176.600 -0.071 0.000 0.955 402 K CA 1.870 58.117 56.287 -0.067 0.000 0.723 402 K CB -1.888 30.569 32.500 -0.072 0.000 1.382 402 K HN 2.545 nan 8.250 nan 0.000 0.461 403 G N -1.567 107.197 108.800 -0.059 0.000 2.203 403 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.263 403 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.263 403 G C 1.108 175.972 174.900 -0.060 0.000 1.012 403 G CA 1.186 46.258 45.100 -0.046 0.000 0.749 403 G HN 1.677 nan 8.290 nan 0.000 0.512 404 G N -1.212 107.523 108.800 -0.110 0.000 2.213 404 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.226 404 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.226 404 G C 0.963 175.764 174.900 -0.166 0.000 0.992 404 G CA 0.776 45.808 45.100 -0.113 0.000 0.632 404 G HN 0.760 nan 8.290 nan 0.000 0.511 405 N N 0.314 118.855 118.700 -0.264 0.000 2.381 405 N HA 0.097 4.837 4.740 -0.001 0.000 0.182 405 N C 0.921 176.133 175.510 -0.497 0.000 1.025 405 N CA 1.065 53.764 53.050 -0.585 0.000 0.888 405 N CB 0.098 38.423 38.487 -0.269 0.000 0.965 405 N HN 0.600 nan 8.380 nan 0.000 0.438 406 I N -0.346 120.047 120.570 -0.294 0.000 2.465 406 I HA 0.156 4.326 4.170 -0.001 0.000 0.291 406 I C -0.136 175.722 176.117 -0.431 0.000 1.014 406 I CA -0.656 60.465 61.300 -0.298 0.000 1.093 406 I CB 2.077 39.962 38.000 -0.193 0.000 1.267 406 I HN -0.212 nan 8.210 nan 0.000 0.431 407 S N 2.828 118.079 115.700 -0.748 0.000 2.480 407 S HA 0.255 4.724 4.470 -0.001 0.000 0.286 407 S C 0.844 175.180 174.600 -0.440 0.000 1.180 407 S CA -0.453 57.230 58.200 -0.861 0.000 1.075 407 S CB 1.220 63.524 63.200 -1.494 0.000 0.996 407 S HN 0.628 nan 8.310 nan 0.000 0.487 408 S N 2.702 118.187 115.700 -0.358 0.000 2.603 408 S HA 0.128 4.597 4.470 -0.001 0.000 0.220 408 S C 0.014 174.295 174.600 -0.531 0.000 0.967 408 S CA -0.053 57.954 58.200 -0.322 0.000 0.920 408 S CB 0.049 63.104 63.200 -0.241 0.000 0.773 408 S HN 0.588 nan 8.310 nan 0.000 0.529 409 V N 2.727 122.330 119.914 -0.519 0.000 2.409 409 V HA 0.615 4.734 4.120 -0.001 0.000 0.291 409 V C -0.122 175.812 176.094 -0.268 0.000 1.020 409 V CA -0.802 61.151 62.300 -0.577 0.000 0.848 409 V CB 1.278 32.808 31.823 -0.488 0.000 0.990 409 V HN 0.156 nan 8.190 nan 0.000 0.430 410 V N 3.134 122.891 119.914 -0.263 0.000 3.126 410 V HA 0.796 4.916 4.120 -0.001 0.000 0.314 410 V C -2.813 173.005 176.094 -0.459 0.000 1.138 410 V CA -2.815 59.297 62.300 -0.313 0.000 1.034 410 V CB 2.028 33.728 31.823 -0.206 0.000 1.075 410 V HN 0.600 nan 8.190 nan 0.000 0.442 414 S N -0.071 115.477 115.700 -0.253 0.000 2.489 414 S HA 0.131 4.601 4.470 -0.001 0.000 0.228 414 S C 0.594 175.101 174.600 -0.156 0.000 0.995 414 S CA 1.207 59.160 58.200 -0.413 0.000 0.934 414 S CB -0.395 62.320 63.200 -0.808 0.000 0.771 414 S HN 1.637 nan 8.310 nan 0.000 0.522 415 H N -0.254 118.701 119.070 -0.192 0.000 3.042 415 H HA 0.438 4.993 4.556 -0.001 0.000 0.345 415 H C -2.114 173.130 175.328 -0.139 0.000 1.052 415 H CA -0.509 55.414 56.048 -0.208 0.000 1.311 415 H CB 1.951 31.533 29.762 -0.300 0.000 1.810 415 H HN 0.036 nan 8.280 nan 0.000 0.505 416 V N 5.981 125.481 119.914 -0.689 0.000 2.364 416 V HA 0.110 4.229 4.120 -0.001 0.000 0.272 416 V C 0.521 176.333 176.094 -0.469 0.000 1.036 416 V CA -0.153 61.903 62.300 -0.406 0.000 0.880 416 V CB 1.408 33.078 31.823 -0.255 0.000 0.991 416 V HN 0.793 nan 8.190 nan 0.000 0.460 417 D N 1.829 122.077 120.400 -0.254 0.000 2.379 417 D HA 0.103 4.743 4.640 -0.001 0.000 0.218 417 D C 0.106 176.034 176.300 -0.619 0.000 1.006 417 D CA 0.782 54.571 54.000 -0.353 0.000 0.893 417 D CB 0.538 41.157 40.800 -0.302 0.000 1.019 417 D HN 0.697 nan 8.370 nan 0.000 0.503 418 H N -0.154 118.906 119.070 -0.016 0.000 2.727 418 H HA 0.264 4.820 4.556 -0.001 0.000 0.330 418 H C 0.158 175.478 175.328 -0.015 0.000 0.986 418 H CA -0.620 55.431 56.048 0.005 0.000 1.251 418 H CB 1.442 31.169 29.762 -0.059 0.000 1.493 418 H HN -0.181 nan 8.280 nan 0.000 0.515 419 T N -0.598 114.025 114.554 0.114 0.000 2.748 419 T HA -0.021 4.329 4.350 -0.001 0.000 0.304 419 T C 1.402 176.147 174.700 0.074 0.000 1.041 419 T CA -0.452 61.704 62.100 0.095 0.000 1.033 419 T CB 0.861 69.844 68.868 0.192 0.000 0.995 419 T HN 0.797 nan 8.240 nan 0.000 0.536 420 E N -0.444 119.738 120.200 -0.030 0.000 2.338 420 E HA -0.188 4.162 4.350 -0.001 0.000 0.197 420 E C 1.576 178.113 176.600 -0.106 0.000 1.007 420 E CA 1.296 57.646 56.400 -0.084 0.000 0.849 420 E CB -0.643 28.984 29.700 -0.122 0.000 0.774 420 E HN 0.773 nan 8.360 nan 0.000 0.506 421 H N 0.566 119.678 119.070 0.070 0.000 2.489 421 H HA -0.027 4.529 4.556 -0.001 0.000 0.293 421 H C 0.379 175.753 175.328 0.077 0.000 1.066 421 H CA 1.450 57.538 56.048 0.067 0.000 1.305 421 H CB 0.148 29.947 29.762 0.061 0.000 1.386 421 H HN 0.292 nan 8.280 nan 0.000 0.551 422 D N 0.393 120.912 120.400 0.200 0.000 2.501 422 D HA 0.158 4.798 4.640 -0.001 0.000 0.226 422 D C -0.274 176.144 176.300 0.197 0.000 1.198 422 D CA 0.081 54.198 54.000 0.194 0.000 0.830 422 D CB 1.100 42.047 40.800 0.245 0.000 1.014 422 D HN -0.028 nan 8.370 nan 0.000 0.496 423 V N 1.313 121.309 119.914 0.138 0.000 2.525 423 V HA 0.215 4.335 4.120 -0.001 0.000 0.299 423 V C 0.245 176.360 176.094 0.036 0.000 1.034 423 V CA -0.600 61.784 62.300 0.140 0.000 0.863 423 V CB 2.671 34.543 31.823 0.082 0.000 0.999 423 V HN -0.124 nan 8.190 nan 0.000 0.423 424 D N 2.946 123.345 120.400 -0.002 0.000 2.431 424 D HA 0.237 4.876 4.640 -0.001 0.000 0.235 424 D C 0.174 176.393 176.300 -0.135 0.000 0.980 424 D CA 0.899 54.864 54.000 -0.057 0.000 0.912 424 D CB 1.126 41.891 40.800 -0.059 0.000 1.056 424 D HN 0.264 nan 8.370 nan 0.000 0.494 425 I N 1.646 122.104 120.570 -0.188 0.000 2.533 425 I HA 0.350 4.519 4.170 -0.001 0.000 0.290 425 I C -0.534 175.416 176.117 -0.279 0.000 1.056 425 I CA -0.519 60.591 61.300 -0.318 0.000 1.057 425 I CB 2.191 39.880 38.000 -0.519 0.000 1.240 425 I HN -0.204 nan 8.210 nan 0.000 0.423 426 L N 5.948 126.972 121.223 -0.332 0.000 2.365 426 L HA 0.781 5.121 4.340 -0.001 0.000 0.273 426 L C -0.835 175.876 176.870 -0.265 0.000 1.000 426 L CA -0.908 53.696 54.840 -0.393 0.000 0.819 426 L CB 2.428 44.022 42.059 -0.775 0.000 1.284 426 L HN 0.229 nan 8.230 nan 0.000 0.418 427 V N 0.558 120.394 119.914 -0.130 0.000 2.668 427 V HA 0.619 4.738 4.120 -0.001 0.000 0.304 427 V C -0.044 176.107 176.094 0.095 0.000 1.071 427 V CA -0.562 61.714 62.300 -0.039 0.000 0.894 427 V CB 1.860 33.651 31.823 -0.053 0.000 1.008 427 V HN 0.896 nan 8.190 nan 0.000 0.425 428 T N -0.583 114.032 114.554 0.102 0.000 2.807 428 T HA 0.430 4.779 4.350 -0.001 0.000 0.277 428 T C 0.969 175.761 174.700 0.154 0.000 1.006 428 T CA 0.037 62.222 62.100 0.141 0.000 1.006 428 T CB 1.884 70.842 68.868 0.149 0.000 1.274 428 T HN 0.707 nan 8.240 nan 0.000 0.569 429 E N 0.257 120.557 120.200 0.167 0.000 2.267 429 E HA -0.220 4.130 4.350 -0.001 0.000 0.197 429 E C 1.440 178.191 176.600 0.253 0.000 0.998 429 E CA 1.231 57.762 56.400 0.217 0.000 0.830 429 E CB -0.396 29.395 29.700 0.151 0.000 0.751 429 E HN 0.628 nan 8.360 nan 0.000 0.491 430 Q N 0.804 120.674 119.800 0.116 0.000 2.230 430 Q HA 0.176 4.516 4.340 -0.001 0.000 0.202 430 Q C 1.151 177.048 176.000 -0.172 0.000 0.963 430 Q CA 1.262 57.088 55.803 0.038 0.000 0.866 430 Q CB 0.428 29.185 28.738 0.031 0.000 0.931 430 Q HN 0.451 nan 8.270 nan 0.000 0.452 431 G N -0.215 108.319 108.800 -0.444 0.000 2.352 431 G HA2 0.240 4.199 3.960 -0.001 0.000 0.283 431 G HA3 0.240 4.199 3.960 -0.001 0.000 0.283 431 G C -2.188 172.445 174.900 -0.445 0.000 1.308 431 G CA -0.713 43.860 45.100 -0.878 0.000 0.892 431 G HN 0.111 nan 8.290 nan 0.000 0.504 432 L N 0.054 121.081 121.223 -0.326 0.000 2.386 432 L HA 0.868 5.207 4.340 -0.001 0.000 0.271 432 L C 0.079 176.847 176.870 -0.170 0.000 0.993 432 L CA -0.810 53.903 54.840 -0.212 0.000 0.819 432 L CB 1.857 43.805 42.059 -0.185 0.000 1.294 432 L HN 1.395 nan 8.230 nan 0.000 0.414 433 A N 3.094 125.801 122.820 -0.189 0.000 2.267 433 A HA 0.417 4.736 4.320 -0.001 0.000 0.315 433 A C -1.108 176.355 177.584 -0.202 0.000 1.297 433 A CA -0.537 51.402 52.037 -0.163 0.000 0.865 433 A CB 0.641 19.548 19.000 -0.154 0.000 1.165 433 A HN 0.677 nan 8.150 nan 0.000 0.513 434 D N 3.017 123.332 120.400 -0.143 0.000 2.316 434 D HA 0.336 4.975 4.640 -0.001 0.000 0.245 434 D C 0.449 176.705 176.300 -0.073 0.000 1.171 434 D CA -0.126 53.802 54.000 -0.120 0.000 0.856 434 D CB 0.763 41.577 40.800 0.023 0.000 1.090 434 D HN 0.440 nan 8.370 nan 0.000 0.476 435 L N 3.018 124.189 121.223 -0.086 0.000 2.640 435 L HA 0.246 4.585 4.340 -0.001 0.000 0.230 435 L C 1.079 177.935 176.870 -0.023 0.000 1.123 435 L CA -0.278 54.525 54.840 -0.061 0.000 0.900 435 L CB 0.061 42.070 42.059 -0.083 0.000 1.146 435 L HN 0.109 nan 8.230 nan 0.000 0.484 436 R N 0.993 121.490 120.500 -0.005 0.000 2.502 436 R HA 0.157 4.496 4.340 -0.001 0.000 0.292 436 R C 1.263 177.579 176.300 0.027 0.000 0.998 436 R CA 0.831 56.942 56.100 0.019 0.000 1.056 436 R CB 0.011 30.335 30.300 0.040 0.000 0.939 436 R HN 0.307 nan 8.270 nan 0.000 0.411 437 G N 2.479 111.298 108.800 0.031 0.000 2.168 437 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.263 437 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.263 437 G C 0.112 175.033 174.900 0.035 0.000 0.977 437 G CA -0.087 45.035 45.100 0.037 0.000 0.659 437 G HN 0.442 nan 8.290 nan 0.000 0.533 438 L N 0.405 121.642 121.223 0.024 0.000 2.325 438 L HA 0.727 5.067 4.340 -0.001 0.000 0.279 438 L C 1.028 177.912 176.870 0.022 0.000 1.054 438 L CA -0.456 54.396 54.840 0.020 0.000 0.804 438 L CB 1.550 43.610 42.059 0.002 0.000 1.200 438 L HN 0.273 nan 8.230 nan 0.000 0.436 439 A N 4.163 127.001 122.820 0.030 0.000 2.272 439 A HA 0.444 4.763 4.320 -0.001 0.000 0.275 439 A C -1.827 175.740 177.584 -0.028 0.000 1.096 439 A CA -1.192 50.857 52.037 0.019 0.000 0.822 439 A CB 0.038 19.069 19.000 0.052 0.000 1.088 439 A HN 0.590 nan 8.150 nan 0.000 0.495 440 P HA -0.153 nan 4.420 nan 0.000 0.215 440 P C 1.294 178.686 177.300 0.155 0.000 1.157 440 P CA 1.555 64.612 63.100 -0.072 0.000 0.868 440 P CB 0.005 31.412 31.700 -0.489 0.000 0.788 441 R N -0.213 120.368 120.500 0.133 0.000 2.127 441 R HA -0.140 4.200 4.340 -0.001 0.000 0.238 441 R C 2.231 178.612 176.300 0.135 0.000 1.134 441 R CA 1.328 57.615 56.100 0.312 0.000 0.975 441 R CB -0.593 29.898 30.300 0.318 0.000 0.865 441 R HN 0.387 nan 8.270 nan 0.000 0.447 442 E N 0.158 120.397 120.200 0.065 0.000 2.107 442 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 442 E C 2.058 178.630 176.600 -0.047 0.000 0.982 442 E CA 0.694 57.104 56.400 0.017 0.000 0.809 442 E CB 0.014 29.729 29.700 0.025 0.000 0.756 442 E HN 0.279 nan 8.360 nan 0.000 0.459 443 R N 0.701 121.172 120.500 -0.048 0.000 2.091 443 R HA -0.129 4.211 4.340 -0.001 0.000 0.238 443 R C 2.414 178.591 176.300 -0.205 0.000 1.136 443 R CA 1.208 57.255 56.100 -0.089 0.000 0.959 443 R CB -0.374 29.904 30.300 -0.037 0.000 0.856 443 R HN 0.113 nan 8.270 nan 0.000 0.437 444 A N 1.394 124.000 122.820 -0.357 0.000 1.877 444 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 444 A C 2.158 179.385 177.584 -0.595 0.000 1.186 444 A CA 1.393 52.995 52.037 -0.726 0.000 0.620 444 A CB -0.401 17.710 19.000 -1.482 0.000 0.822 444 A HN 0.227 nan 8.150 nan 0.000 0.443 445 R N -0.752 119.471 120.500 -0.461 0.000 2.091 445 R HA -0.086 4.253 4.340 -0.001 0.000 0.238 445 R C 2.005 178.227 176.300 -0.130 0.000 1.136 445 R CA 1.502 57.477 56.100 -0.210 0.000 0.959 445 R CB -0.619 29.652 30.300 -0.048 0.000 0.856 445 R HN 0.378 nan 8.270 nan 0.000 0.437 446 V N 1.108 120.952 119.914 -0.116 0.000 2.358 446 V HA -0.221 3.899 4.120 -0.001 0.000 0.246 446 V C 2.191 178.233 176.094 -0.086 0.000 1.047 446 V CA 1.671 63.922 62.300 -0.081 0.000 1.035 446 V CB -0.372 31.409 31.823 -0.069 0.000 0.658 446 V HN 0.269 nan 8.190 nan 0.000 0.452 447 I N -0.411 120.091 120.570 -0.113 0.000 2.179 447 I HA -0.258 3.912 4.170 -0.001 0.000 0.242 447 I C 2.258 178.357 176.117 -0.029 0.000 1.088 447 I CA 1.835 63.101 61.300 -0.057 0.000 1.357 447 I CB -0.254 37.720 38.000 -0.044 0.000 1.051 447 I HN 0.221 nan 8.210 nan 0.000 0.409 448 I N 0.317 120.838 120.570 -0.083 0.000 2.286 448 I HA -0.267 3.903 4.170 -0.001 0.000 0.248 448 I C 2.542 178.654 176.117 -0.008 0.000 1.115 448 I CA 1.198 62.474 61.300 -0.040 0.000 1.392 448 I CB -0.235 37.724 38.000 -0.068 0.000 1.065 448 I HN 0.214 nan 8.210 nan 0.000 0.418 449 E N 1.066 121.251 120.200 -0.024 0.000 2.150 449 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 449 E C 1.768 178.358 176.600 -0.017 0.000 0.985 449 E CA 1.451 57.844 56.400 -0.012 0.000 0.814 449 E CB 0.016 29.706 29.700 -0.015 0.000 0.752 449 E HN 0.394 nan 8.360 nan 0.000 0.466 450 N N -1.580 117.103 118.700 -0.028 0.000 2.510 450 N HA 0.033 4.772 4.740 -0.001 0.000 0.186 450 N C 1.117 176.598 175.510 -0.047 0.000 1.051 450 N CA 0.882 53.900 53.050 -0.053 0.000 0.877 450 N CB 0.207 38.648 38.487 -0.076 0.000 1.183 450 N HN 0.223 nan 8.380 nan 0.000 0.443 451 C N 0.637 119.945 119.300 0.013 0.000 2.820 451 C HA 0.332 4.792 4.460 -0.001 0.000 0.323 451 C C 1.026 176.065 174.990 0.083 0.000 1.279 451 C CA -0.478 58.586 59.018 0.076 0.000 1.790 451 C CB 0.445 28.332 27.740 0.246 0.000 2.328 451 C HN -0.053 nan 8.230 nan 0.000 0.579 452 V N 2.479 122.435 119.914 0.069 0.000 2.637 452 V HA 0.077 4.197 4.120 -0.001 0.000 0.296 452 V C 0.670 176.842 176.094 0.129 0.000 1.046 452 V CA 0.029 62.383 62.300 0.089 0.000 1.066 452 V CB -0.009 31.876 31.823 0.102 0.000 0.968 452 V HN 0.523 nan 8.190 nan 0.000 0.483 453 H N 6.997 126.119 119.070 0.087 0.000 2.972 453 H HA 0.009 4.565 4.556 -0.001 0.000 0.343 453 H C -1.608 173.790 175.328 0.117 0.000 1.054 453 H CA -0.930 55.187 56.048 0.116 0.000 1.412 453 H CB 1.564 31.434 29.762 0.180 0.000 1.385 453 H HN 0.412 nan 8.280 nan 0.000 0.600 454 P HA -0.131 nan 4.420 nan 0.000 0.218 454 P C 1.390 178.660 177.300 -0.049 0.000 1.146 454 P CA 1.253 64.246 63.100 -0.178 0.000 0.813 454 P CB 0.238 31.777 31.700 -0.268 0.000 0.778 455 S N -2.286 113.471 115.700 0.095 0.000 2.423 455 S HA -0.121 4.349 4.470 -0.001 0.000 0.231 455 S C 1.128 175.559 174.600 -0.280 0.000 1.014 455 S CA 1.162 59.341 58.200 -0.035 0.000 0.965 455 S CB -0.745 62.441 63.200 -0.023 0.000 0.785 455 S HN 0.295 nan 8.310 nan 0.000 0.495 456 Y N 0.460 120.815 120.300 0.091 0.000 2.445 456 Y HA 0.312 4.861 4.550 -0.001 0.000 0.247 456 Y C 2.178 178.170 175.900 0.154 0.000 1.129 456 Y CA -0.591 57.550 58.100 0.069 0.000 1.251 456 Y CB -0.025 38.469 38.460 0.056 0.000 1.176 456 Y HN 0.130 nan 8.280 nan 0.000 0.522 457 Q N 0.529 120.455 119.800 0.211 0.000 2.020 457 Q HA -0.201 4.139 4.340 -0.001 0.000 0.202 457 Q C 2.434 178.528 176.000 0.157 0.000 0.982 457 Q CA 1.718 57.617 55.803 0.160 0.000 0.838 457 Q CB -0.100 28.689 28.738 0.085 0.000 0.899 457 Q HN 0.533 nan 8.270 nan 0.000 0.423 458 A N 1.023 123.915 122.820 0.120 0.000 1.877 458 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 458 A C -0.564 177.127 177.584 0.178 0.000 1.186 458 A CA 1.199 53.305 52.037 0.116 0.000 0.620 458 A CB -1.534 17.505 19.000 0.066 0.000 0.822 458 A HN 0.293 nan 8.150 nan 0.000 0.443 459 P HA -0.134 nan 4.420 nan 0.000 0.216 459 P C 1.540 179.128 177.300 0.479 0.000 1.150 459 P CA 0.701 64.016 63.100 0.359 0.000 0.837 459 P CB -0.039 31.894 31.700 0.387 0.000 0.786 460 L N -1.153 120.356 121.223 0.477 0.000 2.109 460 L HA -0.065 4.275 4.340 -0.001 0.000 0.207 460 L C 2.134 179.156 176.870 0.253 0.000 1.086 460 L CA 1.577 56.598 54.840 0.302 0.000 0.760 460 L CB -1.695 40.514 42.059 0.250 0.000 0.910 460 L HN -0.102 nan 8.230 nan 0.000 0.437 461 L N -0.555 120.805 121.223 0.229 0.000 2.056 461 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 461 L C 2.042 179.047 176.870 0.226 0.000 1.078 461 L CA 1.700 56.676 54.840 0.227 0.000 0.749 461 L CB -0.850 41.309 42.059 0.166 0.000 0.901 461 L HN 0.260 nan 8.230 nan 0.000 0.433 462 D N -1.514 119.005 120.400 0.198 0.000 2.123 462 D HA -0.281 4.358 4.640 -0.001 0.000 0.196 462 D C 1.986 178.377 176.300 0.151 0.000 0.992 462 D CA 1.780 55.872 54.000 0.153 0.000 0.833 462 D CB -0.423 40.470 40.800 0.156 0.000 0.954 462 D HN 0.499 nan 8.370 nan 0.000 0.455 463 Y N 0.392 120.756 120.300 0.107 0.000 2.097 463 Y HA -0.296 4.254 4.550 -0.001 0.000 0.282 463 Y C 2.209 178.160 175.900 0.085 0.000 1.152 463 Y CA 1.552 59.691 58.100 0.065 0.000 1.136 463 Y CB -0.544 37.905 38.460 -0.019 0.000 0.975 463 Y HN -0.055 nan 8.280 nan 0.000 0.498 464 F N 1.448 121.448 119.950 0.084 0.000 2.095 464 F HA -0.176 4.351 4.527 -0.001 0.000 0.298 464 F C 2.124 177.876 175.800 -0.081 0.000 1.104 464 F CA 2.284 60.276 58.000 -0.013 0.000 1.232 464 F CB -0.626 38.385 39.000 0.017 0.000 0.987 464 F HN 0.202 nan 8.300 nan 0.000 0.475 465 E N -0.026 120.072 120.200 -0.170 0.000 2.106 465 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 465 E C 2.361 178.806 176.600 -0.258 0.000 0.984 465 E CA 0.942 57.176 56.400 -0.276 0.000 0.806 465 E CB -0.399 29.247 29.700 -0.090 0.000 0.750 465 E HN 0.477 nan 8.360 nan 0.000 0.458 466 A N 1.541 124.241 122.820 -0.199 0.000 1.898 466 A HA -0.042 4.278 4.320 -0.001 0.000 0.216 466 A C 2.392 179.825 177.584 -0.253 0.000 1.181 466 A CA 1.449 53.374 52.037 -0.186 0.000 0.620 466 A CB -0.539 18.378 19.000 -0.137 0.000 0.819 466 A HN 0.277 nan 8.150 nan 0.000 0.442 467 A N -0.744 121.848 122.820 -0.381 0.000 1.883 467 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 467 A C 2.309 179.726 177.584 -0.278 0.000 1.186 467 A CA 1.753 53.575 52.037 -0.359 0.000 0.624 467 A CB -1.413 17.312 19.000 -0.458 0.000 0.822 467 A HN 0.591 nan 8.150 nan 0.000 0.444 468 C N -0.987 118.078 119.300 -0.391 0.000 2.403 468 C HA -0.038 4.422 4.460 -0.001 0.000 0.277 468 C C 3.294 178.155 174.990 -0.215 0.000 1.248 468 C CA 0.841 59.647 59.018 -0.354 0.000 1.762 468 C CB -1.452 25.963 27.740 -0.541 0.000 2.014 468 C HN 0.705 nan 8.230 nan 0.000 0.486 469 A N 0.000 122.703 122.820 -0.195 0.000 2.024 469 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 469 A C 2.047 179.573 177.584 -0.098 0.000 1.164 469 A CA 1.620 53.581 52.037 -0.127 0.000 0.643 469 A CB -0.411 18.524 19.000 -0.109 0.000 0.806 469 A HN 0.743 nan 8.150 nan 0.000 0.451 470 K N -1.029 119.308 120.400 -0.105 0.000 2.444 470 K HA 0.316 4.635 4.320 -0.001 0.000 0.193 470 K C 0.900 177.465 176.600 -0.059 0.000 1.024 470 K CA 0.337 56.581 56.287 -0.071 0.000 1.077 470 K CB -0.135 32.327 32.500 -0.065 0.000 0.833 470 K HN 0.660 nan 8.250 nan 0.000 0.517 471 G N 0.467 109.222 108.800 -0.074 0.000 2.782 471 G HA2 0.096 4.056 3.960 -0.001 0.000 0.228 471 G HA3 0.096 4.056 3.960 -0.001 0.000 0.228 471 G C -0.007 174.868 174.900 -0.041 0.000 1.372 471 G CA -0.733 44.335 45.100 -0.054 0.000 0.862 471 G HN 0.590 nan 8.290 nan 0.000 0.547 472 G N -2.240 106.550 108.800 -0.016 0.000 2.617 472 G HA2 0.292 4.252 3.960 -0.001 0.000 0.686 472 G HA3 0.292 4.252 3.960 -0.001 0.000 0.686 472 G C 0.445 175.360 174.900 0.025 0.000 1.214 472 G CA 0.751 45.856 45.100 0.008 0.000 0.796 472 G HN 2.122 nan 8.290 nan 0.000 0.654 473 H N 0.187 119.227 119.070 -0.051 0.000 2.352 473 H HA -0.050 4.506 4.556 -0.001 0.000 0.299 473 H C 0.856 176.110 175.328 -0.123 0.000 1.097 473 H CA 1.958 57.972 56.048 -0.057 0.000 1.311 473 H CB 0.381 30.115 29.762 -0.047 0.000 1.377 473 H HN 0.445 nan 8.280 nan 0.000 0.504 474 T N 3.876 118.290 114.554 -0.233 0.000 3.155 474 T HA 0.274 4.624 4.350 -0.001 0.000 0.384 474 T C -2.613 171.853 174.700 -0.391 0.000 1.351 474 T CA -1.165 60.598 62.100 -0.561 0.000 1.198 474 T CB 1.645 70.188 68.868 -0.542 0.000 1.106 474 T HN 0.248 nan 8.240 nan 0.000 0.564 475 P HA 0.252 nan 4.420 nan 0.000 0.267 475 P C -0.301 176.888 177.300 -0.184 0.000 1.205 475 P CA -0.017 63.012 63.100 -0.119 0.000 0.765 475 P CB 0.493 32.148 31.700 -0.075 0.000 0.828 476 H N 1.349 120.452 119.070 0.055 0.000 2.980 476 H HA 0.393 4.949 4.556 -0.001 0.000 0.367 476 H C -0.648 174.655 175.328 -0.042 0.000 1.206 476 H CA -0.618 55.493 56.048 0.105 0.000 1.126 476 H CB 1.482 31.362 29.762 0.198 0.000 1.838 476 H HN 0.215 nan 8.280 nan 0.000 0.552 477 L N 3.145 124.427 121.223 0.098 0.000 2.277 477 L HA 0.216 4.555 4.340 -0.001 0.000 0.284 477 L C 1.552 178.525 176.870 0.172 0.000 1.028 477 L CA -0.295 54.579 54.840 0.057 0.000 0.835 477 L CB 1.018 43.050 42.059 -0.045 0.000 1.215 477 L HN 0.431 nan 8.230 nan 0.000 0.425 478 L N 2.294 123.583 121.223 0.109 0.000 2.187 478 L HA -0.161 4.179 4.340 -0.001 0.000 0.213 478 L C 2.507 179.423 176.870 0.077 0.000 1.100 478 L CA 1.385 56.272 54.840 0.079 0.000 0.765 478 L CB -0.423 41.664 42.059 0.047 0.000 0.904 478 L HN 0.650 nan 8.230 nan 0.000 0.437 479 R N -0.343 120.206 120.500 0.082 0.000 2.115 479 R HA -0.081 4.258 4.340 -0.001 0.000 0.226 479 R C 1.494 177.860 176.300 0.110 0.000 1.100 479 R CA 0.837 56.986 56.100 0.081 0.000 0.980 479 R CB 0.083 30.425 30.300 0.069 0.000 0.875 479 R HN 0.346 nan 8.270 nan 0.000 0.445 480 E N -0.678 119.621 120.200 0.165 0.000 2.490 480 E HA 0.153 4.503 4.350 -0.001 0.000 0.209 480 E C 1.485 178.174 176.600 0.149 0.000 0.971 480 E CA 0.253 56.773 56.400 0.200 0.000 0.988 480 E CB 0.583 30.455 29.700 0.286 0.000 1.029 480 E HN 0.181 nan 8.360 nan 0.000 0.496 481 A N 1.253 124.174 122.820 0.169 0.000 1.948 481 A HA -0.120 4.199 4.320 -0.001 0.000 0.220 481 A C 1.980 179.517 177.584 -0.079 0.000 1.177 481 A CA 1.163 53.211 52.037 0.018 0.000 0.636 481 A CB -0.387 18.608 19.000 -0.008 0.000 0.815 481 A HN 0.207 nan 8.150 nan 0.000 0.449 482 L N -1.474 119.764 121.223 0.026 0.000 2.728 482 L HA 0.231 4.571 4.340 -0.001 0.000 0.238 482 L C 2.384 179.348 176.870 0.158 0.000 1.143 482 L CA 0.341 55.259 54.840 0.130 0.000 0.937 482 L CB -0.037 42.075 42.059 0.089 0.000 1.225 482 L HN 0.369 nan 8.230 nan 0.000 0.507 483 A N 0.216 123.101 122.820 0.109 0.000 1.933 483 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 483 A C 1.743 179.491 177.584 0.273 0.000 1.175 483 A CA 1.192 53.335 52.037 0.177 0.000 0.628 483 A CB -0.496 18.621 19.000 0.195 0.000 0.814 483 A HN 0.496 nan 8.150 nan 0.000 0.444 484 W N 0.125 121.387 121.300 -0.062 0.000 2.358 484 W HA -0.107 4.553 4.660 -0.000 0.000 0.303 484 W C 2.450 178.870 176.519 -0.165 0.000 1.208 484 W CA 1.083 58.345 57.345 -0.138 0.000 1.274 484 W CB -1.214 28.085 29.460 -0.269 0.000 1.138 484 W HN 0.532 nan 8.180 nan 0.000 0.515 485 H N -0.713 118.479 119.070 0.203 0.000 2.353 485 H HA -0.118 4.437 4.556 -0.001 0.000 0.300 485 H C 2.162 177.541 175.328 0.084 0.000 1.090 485 H CA 1.694 57.804 56.048 0.103 0.000 1.327 485 H CB -0.922 28.875 29.762 0.058 0.000 1.383 485 H HN 0.114 nan 8.280 nan 0.000 0.508 486 L N 1.519 122.867 121.223 0.208 0.000 2.056 486 L HA -0.139 4.201 4.340 -0.001 0.000 0.207 486 L C 1.852 178.789 176.870 0.111 0.000 1.078 486 L CA 1.321 56.243 54.840 0.136 0.000 0.749 486 L CB -0.502 41.628 42.059 0.120 0.000 0.901 486 L HN 0.055 nan 8.230 nan 0.000 0.433 487 N N -0.269 118.505 118.700 0.123 0.000 2.069 487 N HA -0.227 4.513 4.740 -0.001 0.000 0.191 487 N C 1.800 177.355 175.510 0.076 0.000 1.031 487 N CA 1.765 54.872 53.050 0.096 0.000 0.852 487 N CB -0.697 37.851 38.487 0.102 0.000 1.018 487 N HN 0.325 nan 8.380 nan 0.000 0.423 488 L N 1.615 122.879 121.223 0.068 0.000 1.989 488 L HA -0.161 4.179 4.340 -0.001 0.000 0.211 488 L C 2.179 179.077 176.870 0.046 0.000 1.071 488 L CA 1.865 56.729 54.840 0.039 0.000 0.749 488 L CB -0.821 41.249 42.059 0.019 0.000 0.890 488 L HN 0.153 nan 8.230 nan 0.000 0.431 489 E N -0.997 119.240 120.200 0.061 0.000 2.110 489 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 489 E C 1.997 178.622 176.600 0.042 0.000 0.988 489 E CA 1.452 57.882 56.400 0.050 0.000 0.804 489 E CB 0.052 29.788 29.700 0.060 0.000 0.745 489 E HN 0.550 nan 8.360 nan 0.000 0.458 490 E N -0.485 119.744 120.200 0.048 0.000 2.190 490 E HA 0.013 4.363 4.350 -0.001 0.000 0.191 490 E C 1.491 178.112 176.600 0.035 0.000 0.978 490 E CA 0.624 57.048 56.400 0.040 0.000 0.839 490 E CB 0.273 30.000 29.700 0.044 0.000 0.787 490 E HN 0.157 nan 8.360 nan 0.000 0.473 491 R N -1.135 119.390 120.500 0.041 0.000 2.531 491 R HA 0.192 4.531 4.340 -0.001 0.000 0.316 491 R C 0.842 177.170 176.300 0.047 0.000 0.955 491 R CA 0.477 56.599 56.100 0.037 0.000 1.120 491 R CB 1.381 31.702 30.300 0.034 0.000 1.361 491 R HN 0.197 nan 8.270 nan 0.000 0.534 492 G N 0.963 109.792 108.800 0.048 0.000 2.184 492 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.264 492 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.264 492 G C -0.071 174.877 174.900 0.079 0.000 0.975 492 G CA 0.775 45.903 45.100 0.047 0.000 0.642 492 G HN 0.465 nan 8.290 nan 0.000 0.536 496 A N 1.538 124.341 122.820 -0.029 0.000 2.671 496 A HA 0.632 4.952 4.320 -0.001 0.000 0.306 496 A C 0.833 178.423 177.584 0.010 0.000 1.473 496 A CA 0.519 52.530 52.037 -0.043 0.000 1.155 496 A CB -0.366 18.620 19.000 -0.024 0.000 1.123 496 A HN 0.219 nan 8.150 nan 0.000 0.545 497 G N 0.000 108.806 108.800 0.010 0.000 5.446 497 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 497 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 497 G CA 0.000 45.126 45.100 0.043 0.000 0.502 497 G HN 0.000 nan 8.290 nan 0.000 0.925