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 2gca_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNYTETVAYI HSFPRLAKTG DHRRILTLLH ALGNPQQQGR YIHVTGTNGK DATA SEQUENCE GSAANAIAHV LEASGLTVGL YTSPFIMRFN ERIMIDHEPI PDAALVNAVA DATA SEQUENCE FVRAALERLQ QQQADFNVTE FEFITALGYW YFRQRQVDVA VIEVGIGGDT DATA SEQUENCE DSTNVITPVV SVLTEVALDH QKLLGHTITA IAKHKAGIIK RGIPVVTGNL DATA SEQUENCE VPDAAAVVAA KVATTGSQWL RFDRDFSVPK AKLHGWGQRF TYEDQDGRIS DATA SEQUENCE DLEVPLVGDY QQRNMAIAIQ TAKVYAKQTE WPLTPQNIRQ GLAASHWPAR DATA SEQUENCE LEKISDTPLI VIDGAHNPDG INGLITALKQ LFSQPITVIA GILXXXXYAA DATA SEQUENCE MADRLTAAFS TVYLVPVPGT PRALXXXXXX XXXXXRLKDS WQEALAASLN DATA SEQUENCE DVPDQPIVIT GSLYLASAVR QTLLG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.012 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.051 0.000 0.988 1 M CB 0.000 32.541 32.600 -0.098 0.000 1.302 2 N N -0.114 118.587 118.700 0.002 0.000 2.530 2 N HA 0.371 5.039 4.740 -0.119 0.000 0.283 2 N C 0.337 175.887 175.510 0.067 0.000 1.238 2 N CA -0.713 52.365 53.050 0.048 0.000 0.971 2 N CB 0.318 38.837 38.487 0.053 0.000 1.195 2 N HN 0.709 nan 8.380 nan 0.000 0.583 3 Y N 0.197 120.494 120.300 -0.005 0.000 2.069 3 Y HA -0.295 4.181 4.550 -0.122 0.000 0.278 3 Y C 1.939 177.826 175.900 -0.021 0.000 1.175 3 Y CA 2.700 60.797 58.100 -0.005 0.000 1.134 3 Y CB -0.924 37.536 38.460 0.001 0.000 0.965 3 Y HN 0.620 nan 8.280 nan 0.000 0.498 4 T N 0.405 114.954 114.554 -0.009 0.000 2.635 4 T HA -0.248 4.030 4.350 -0.119 0.000 0.267 4 T C 1.632 176.245 174.700 -0.145 0.000 1.040 4 T CA 2.007 64.051 62.100 -0.095 0.000 1.156 4 T CB -0.348 68.530 68.868 0.017 0.000 0.863 4 T HN 0.511 nan 8.240 nan 0.000 0.430 5 E N 0.432 120.579 120.200 -0.087 0.000 2.077 5 E HA -0.111 4.167 4.350 -0.119 0.000 0.193 5 E C 2.521 179.065 176.600 -0.093 0.000 0.989 5 E CA 1.418 57.771 56.400 -0.078 0.000 0.800 5 E CB -0.324 29.339 29.700 -0.061 0.000 0.746 5 E HN 0.384 nan 8.360 nan 0.000 0.452 6 T N 0.896 115.374 114.554 -0.126 0.000 2.684 6 T HA -0.151 4.128 4.350 -0.119 0.000 0.267 6 T C 2.101 176.694 174.700 -0.179 0.000 1.036 6 T CA 1.357 63.394 62.100 -0.105 0.000 1.148 6 T CB -0.218 68.587 68.868 -0.105 0.000 0.863 6 T HN -0.015 nan 8.240 nan 0.000 0.436 7 V N 1.514 121.176 119.914 -0.420 0.000 2.358 7 V HA -0.090 3.959 4.120 -0.119 0.000 0.246 7 V C 2.856 178.616 176.094 -0.558 0.000 1.047 7 V CA 1.499 63.412 62.300 -0.645 0.000 1.035 7 V CB -1.182 30.165 31.823 -0.794 0.000 0.658 7 V HN 0.516 nan 8.190 nan 0.000 0.452 8 A N -0.676 121.961 122.820 -0.305 0.000 1.933 8 A HA -0.266 3.983 4.320 -0.119 0.000 0.218 8 A C 2.170 179.666 177.584 -0.148 0.000 1.175 8 A CA 2.025 53.960 52.037 -0.170 0.000 0.628 8 A CB -0.757 18.187 19.000 -0.093 0.000 0.814 8 A HN 0.648 nan 8.150 nan 0.000 0.444 9 Y N 0.712 120.860 120.300 -0.252 0.000 2.181 9 Y HA -0.179 4.298 4.550 -0.122 0.000 0.288 9 Y C 1.922 177.670 175.900 -0.254 0.000 1.146 9 Y CA 1.715 59.661 58.100 -0.257 0.000 1.164 9 Y CB -0.287 38.041 38.460 -0.219 0.000 0.982 9 Y HN 0.279 nan 8.280 nan 0.000 0.515 10 I N -0.478 119.904 120.570 -0.314 0.000 2.286 10 I HA -0.349 3.750 4.170 -0.119 0.000 0.248 10 I C 1.779 177.852 176.117 -0.073 0.000 1.115 10 I CA 1.828 62.978 61.300 -0.251 0.000 1.392 10 I CB -0.599 37.236 38.000 -0.275 0.000 1.065 10 I HN 0.322 nan 8.210 nan 0.000 0.418 11 H N -0.536 118.452 119.070 -0.136 0.000 2.555 11 H HA 0.048 4.533 4.556 -0.119 0.000 0.269 11 H C 2.183 177.446 175.328 -0.108 0.000 0.988 11 H CA 0.223 56.218 56.048 -0.088 0.000 1.178 11 H CB 0.255 29.948 29.762 -0.115 0.000 1.373 11 H HN 0.196 nan 8.280 nan 0.000 0.588 12 S N 0.319 115.936 115.700 -0.139 0.000 2.489 12 S HA -0.027 4.371 4.470 -0.119 0.000 0.228 12 S C 0.280 174.696 174.600 -0.307 0.000 0.995 12 S CA 0.054 58.103 58.200 -0.253 0.000 0.934 12 S CB -0.126 62.841 63.200 -0.389 0.000 0.771 12 S HN 0.157 nan 8.310 nan 0.000 0.522 13 F N 3.531 123.312 119.950 -0.281 0.000 2.629 13 F HA 0.105 4.563 4.527 -0.115 0.000 0.369 13 F C -1.350 174.373 175.800 -0.129 0.000 1.125 13 F CA -1.699 56.160 58.000 -0.235 0.000 1.330 13 F CB -0.272 38.584 39.000 -0.240 0.000 1.071 13 F HN 0.071 nan 8.300 nan 0.000 0.595 14 P HA 0.178 nan 4.420 nan 0.000 0.272 14 P C -0.751 176.572 177.300 0.038 0.000 1.223 14 P CA -0.501 62.606 63.100 0.012 0.000 0.784 14 P CB 0.416 32.108 31.700 -0.014 0.000 0.923 15 R N 2.967 123.475 120.500 0.013 0.000 2.308 15 R HA 0.466 4.734 4.340 -0.119 0.000 0.325 15 R C -0.030 176.275 176.300 0.010 0.000 1.161 15 R CA -0.319 55.790 56.100 0.015 0.000 1.022 15 R CB -1.091 29.210 30.300 0.002 0.000 1.091 15 R HN 0.494 nan 8.270 nan 0.000 0.497 16 L N 0.596 121.830 121.223 0.017 0.000 2.303 16 L HA 0.987 5.255 4.340 -0.119 0.000 0.266 16 L C 0.562 177.441 176.870 0.016 0.000 1.011 16 L CA -0.944 53.901 54.840 0.009 0.000 0.818 16 L CB 2.207 44.266 42.059 0.000 0.000 1.326 16 L HN 0.766 nan 8.230 nan 0.000 0.435 17 A N -0.152 122.675 122.820 0.010 0.000 3.963 17 A HA 0.503 4.751 4.320 -0.119 0.000 0.283 17 A C -1.348 176.240 177.584 0.007 0.000 1.085 17 A CA -0.758 51.286 52.037 0.012 0.000 0.591 17 A CB 0.485 19.489 19.000 0.007 0.000 1.632 17 A HN 0.573 nan 8.150 nan 0.000 0.761 18 K N 0.328 120.731 120.400 0.005 0.000 5.387 18 K HA -0.126 4.122 4.320 -0.119 0.000 0.360 18 K C -0.787 175.812 176.600 -0.002 0.000 0.847 18 K CA 1.192 57.481 56.287 0.003 0.000 1.065 18 K CB -1.664 30.839 32.500 0.005 0.000 1.922 18 K HN 1.177 nan 8.250 nan 0.000 0.376 19 T N -1.520 113.027 114.554 -0.012 0.000 3.223 19 T HA 0.314 4.593 4.350 -0.119 0.000 0.334 19 T C 1.071 175.723 174.700 -0.080 0.000 0.940 19 T CA -0.443 61.637 62.100 -0.033 0.000 1.272 19 T CB 1.361 70.213 68.868 -0.027 0.000 0.982 19 T HN 0.350 nan 8.240 nan 0.000 0.512 20 G N 2.087 110.853 108.800 -0.058 0.000 2.501 20 G HA2 -0.033 3.856 3.960 -0.119 0.000 0.220 20 G HA3 -0.033 3.856 3.960 -0.119 0.000 0.220 20 G C 0.465 175.272 174.900 -0.156 0.000 1.114 20 G CA 0.653 45.708 45.100 -0.074 0.000 0.757 20 G HN 0.895 nan 8.290 nan 0.000 0.559 21 D N -1.366 118.945 120.400 -0.149 0.000 2.437 21 D HA 0.258 4.827 4.640 -0.119 0.000 0.259 21 D C -0.509 175.622 176.300 -0.282 0.000 1.118 21 D CA -0.685 53.230 54.000 -0.141 0.000 1.017 21 D CB 0.732 41.522 40.800 -0.018 0.000 1.120 21 D HN 0.235 nan 8.370 nan 0.000 0.541 22 H N -1.734 117.375 119.070 0.066 0.000 2.567 22 H HA 0.215 4.702 4.556 -0.115 0.000 0.267 22 H C 1.100 176.477 175.328 0.081 0.000 1.148 22 H CA -0.344 55.749 56.048 0.076 0.000 1.031 22 H CB 0.755 30.559 29.762 0.070 0.000 1.691 22 H HN 0.176 nan 8.280 nan 0.000 0.588 23 R N 0.883 121.473 120.500 0.149 0.000 2.105 23 R HA -0.101 4.167 4.340 -0.119 0.000 0.239 23 R C 2.001 178.419 176.300 0.198 0.000 1.135 23 R CA 1.347 57.530 56.100 0.140 0.000 0.967 23 R CB 0.013 30.377 30.300 0.107 0.000 0.861 23 R HN 0.164 nan 8.270 nan 0.000 0.442 24 R N -0.085 120.542 120.500 0.213 0.000 2.088 24 R HA -0.075 4.194 4.340 -0.119 0.000 0.232 24 R C 2.285 178.780 176.300 0.326 0.000 1.136 24 R CA 2.100 58.376 56.100 0.292 0.000 0.926 24 R CB -0.692 29.677 30.300 0.115 0.000 0.837 24 R HN 0.326 nan 8.270 nan 0.000 0.429 25 I N 0.248 120.945 120.570 0.213 0.000 2.394 25 I HA -0.244 3.854 4.170 -0.119 0.000 0.251 25 I C 1.595 177.805 176.117 0.155 0.000 1.136 25 I CA 1.155 62.558 61.300 0.172 0.000 1.425 25 I CB 0.062 38.142 38.000 0.133 0.000 1.079 25 I HN 0.257 nan 8.210 nan 0.000 0.425 26 L N -0.061 121.254 121.223 0.152 0.000 2.083 26 L HA -0.224 4.045 4.340 -0.119 0.000 0.209 26 L C 2.470 179.404 176.870 0.106 0.000 1.083 26 L CA 1.692 56.598 54.840 0.110 0.000 0.752 26 L CB -0.947 41.172 42.059 0.100 0.000 0.899 26 L HN 0.245 nan 8.230 nan 0.000 0.433 27 T N 0.162 114.779 114.554 0.105 0.000 2.708 27 T HA -0.202 4.077 4.350 -0.119 0.000 0.266 27 T C 1.920 176.640 174.700 0.034 0.000 1.037 27 T CA 1.081 63.176 62.100 -0.008 0.000 1.146 27 T CB -0.170 68.602 68.868 -0.161 0.000 0.865 27 T HN 0.207 nan 8.240 nan 0.000 0.435 28 L N 0.629 121.939 121.223 0.145 0.000 2.027 28 L HA -0.022 4.247 4.340 -0.119 0.000 0.206 28 L C 2.411 179.332 176.870 0.086 0.000 1.074 28 L CA 1.530 56.451 54.840 0.136 0.000 0.745 28 L CB -0.506 41.667 42.059 0.190 0.000 0.898 28 L HN 0.319 nan 8.230 nan 0.000 0.433 29 L N -0.824 120.455 121.223 0.093 0.000 2.079 29 L HA -0.322 3.947 4.340 -0.119 0.000 0.210 29 L C 2.713 179.636 176.870 0.088 0.000 1.081 29 L CA 1.421 56.308 54.840 0.079 0.000 0.752 29 L CB -0.925 41.166 42.059 0.053 0.000 0.896 29 L HN 0.473 nan 8.230 nan 0.000 0.433 30 H N 0.408 119.485 119.070 0.011 0.000 2.290 30 H HA -0.206 4.281 4.556 -0.115 0.000 0.298 30 H C 2.087 177.420 175.328 0.009 0.000 1.087 30 H CA 1.841 57.891 56.048 0.003 0.000 1.291 30 H CB 0.247 29.996 29.762 -0.021 0.000 1.369 30 H HN 0.344 nan 8.280 nan 0.000 0.492 31 A N 0.974 123.851 122.820 0.095 0.000 2.070 31 A HA -0.065 4.183 4.320 -0.119 0.000 0.220 31 A C 2.393 179.974 177.584 -0.005 0.000 1.159 31 A CA 0.901 52.951 52.037 0.021 0.000 0.656 31 A CB -0.563 18.440 19.000 0.005 0.000 0.800 31 A HN 0.444 nan 8.150 nan 0.000 0.453 32 L N -0.788 120.459 121.223 0.039 0.000 2.728 32 L HA 0.245 4.513 4.340 -0.119 0.000 0.235 32 L C 1.358 178.359 176.870 0.219 0.000 1.197 32 L CA 0.319 55.253 54.840 0.156 0.000 0.992 32 L CB -0.303 41.848 42.059 0.154 0.000 1.263 32 L HN 0.528 nan 8.230 nan 0.000 0.484 33 G N 0.467 109.304 108.800 0.061 0.000 2.221 33 G HA2 -0.314 3.574 3.960 -0.119 0.000 0.265 33 G HA3 -0.314 3.574 3.960 -0.119 0.000 0.265 33 G C 0.319 175.226 174.900 0.012 0.000 1.041 33 G CA 0.067 45.179 45.100 0.021 0.000 0.807 33 G HN 0.553 nan 8.290 nan 0.000 0.502 34 N N -1.512 117.185 118.700 -0.006 0.000 2.689 34 N HA -0.173 4.495 4.740 -0.119 0.000 0.263 34 N C -0.497 175.015 175.510 0.004 0.000 0.987 34 N CA 1.185 54.233 53.050 -0.003 0.000 0.782 34 N CB -0.221 38.251 38.487 -0.024 0.000 0.903 34 N HN 0.503 nan 8.380 nan 0.000 0.547 35 P HA -0.198 nan 4.420 nan 0.000 0.220 35 P C 1.519 178.820 177.300 0.002 0.000 1.148 35 P CA 1.193 64.321 63.100 0.046 0.000 0.803 35 P CB 0.213 31.984 31.700 0.119 0.000 0.782 36 Q N 0.657 120.365 119.800 -0.154 0.000 2.364 36 Q HA -0.163 4.105 4.340 -0.119 0.000 0.209 36 Q C 1.486 177.349 176.000 -0.228 0.000 0.977 36 Q CA 1.431 56.960 55.803 -0.457 0.000 0.885 36 Q CB -0.997 27.279 28.738 -0.771 0.000 0.941 36 Q HN 0.401 nan 8.270 nan 0.000 0.464 37 Q N 0.289 120.038 119.800 -0.086 0.000 2.360 37 Q HA 0.119 4.388 4.340 -0.119 0.000 0.202 37 Q C 0.034 176.054 176.000 0.033 0.000 0.915 37 Q CA 0.095 55.881 55.803 -0.027 0.000 0.943 37 Q CB 0.535 29.253 28.738 -0.033 0.000 1.064 37 Q HN 0.522 nan 8.270 nan 0.000 0.511 38 Q N -0.719 119.117 119.800 0.059 0.000 2.297 38 Q HA 0.590 4.859 4.340 -0.119 0.000 0.268 38 Q C 0.154 176.141 176.000 -0.022 0.000 1.045 38 Q CA -0.345 55.468 55.803 0.016 0.000 0.861 38 Q CB 1.877 30.602 28.738 -0.022 0.000 1.344 38 Q HN 0.181 nan 8.270 nan 0.000 0.452 39 G N 0.903 109.629 108.800 -0.123 0.000 2.741 39 G HA2 -0.248 3.641 3.960 -0.119 0.000 0.222 39 G HA3 -0.248 3.641 3.960 -0.119 0.000 0.222 39 G C -0.971 173.694 174.900 -0.392 0.000 1.364 39 G CA -0.724 44.209 45.100 -0.278 0.000 0.866 39 G HN 0.527 nan 8.290 nan 0.000 0.555 40 R N -0.858 119.325 120.500 -0.529 0.000 2.664 40 R HA 0.688 4.957 4.340 -0.119 0.000 0.286 40 R C -1.119 174.781 176.300 -0.666 0.000 0.967 40 R CA -0.605 55.259 56.100 -0.393 0.000 0.933 40 R CB 1.585 31.823 30.300 -0.103 0.000 1.146 40 R HN 0.545 nan 8.270 nan 0.000 0.468 41 Y N 0.686 120.995 120.300 0.015 0.000 2.588 41 Y HA 0.523 5.022 4.550 -0.085 0.000 0.343 41 Y C -0.196 175.722 175.900 0.030 0.000 1.065 41 Y CA -0.955 57.140 58.100 -0.009 0.000 1.038 41 Y CB 2.131 40.572 38.460 -0.032 0.000 1.297 41 Y HN 0.268 nan 8.280 nan 0.000 0.467 42 I N 1.738 122.414 120.570 0.178 0.000 2.439 42 I HA 0.241 4.340 4.170 -0.119 0.000 0.285 42 I C -0.980 175.258 176.117 0.201 0.000 1.021 42 I CA -0.449 60.938 61.300 0.144 0.000 1.091 42 I CB 1.593 39.611 38.000 0.030 0.000 1.242 42 I HN 0.662 nan 8.210 nan 0.000 0.439 43 H N 5.732 124.869 119.070 0.112 0.000 2.594 43 H HA 0.541 5.033 4.556 -0.108 0.000 0.304 43 H C -1.127 174.247 175.328 0.078 0.000 1.068 43 H CA -0.660 55.449 56.048 0.101 0.000 1.308 43 H CB 1.358 31.173 29.762 0.088 0.000 1.409 43 H HN 0.266 nan 8.280 nan 0.000 0.460 44 V N 4.814 124.862 119.914 0.224 0.000 2.448 44 V HA 0.283 4.331 4.120 -0.119 0.000 0.295 44 V C 0.151 176.255 176.094 0.016 0.000 1.025 44 V CA -0.462 61.888 62.300 0.082 0.000 0.859 44 V CB 1.773 33.639 31.823 0.072 0.000 0.988 44 V HN 0.803 nan 8.190 nan 0.000 0.431 45 T N 2.561 117.098 114.554 -0.029 0.000 2.864 45 T HA 0.906 5.185 4.350 -0.119 0.000 0.299 45 T C -0.488 174.196 174.700 -0.026 0.000 1.166 45 T CA 0.165 62.235 62.100 -0.050 0.000 1.007 45 T CB 1.976 70.779 68.868 -0.108 0.000 1.219 45 T HN 1.406 nan 8.240 nan 0.000 0.506 46 G N 0.726 109.504 108.800 -0.037 0.000 2.376 46 G HA2 0.351 4.239 3.960 -0.119 0.000 0.302 46 G HA3 0.351 4.239 3.960 -0.119 0.000 0.302 46 G C 0.383 175.269 174.900 -0.022 0.000 1.586 46 G CA 0.219 45.311 45.100 -0.013 0.000 0.907 46 G HN 0.683 nan 8.290 nan 0.000 0.655 47 T N 0.554 115.110 114.554 0.003 0.000 2.668 47 T HA 0.059 4.337 4.350 -0.119 0.000 0.262 47 T C 0.873 175.643 174.700 0.118 0.000 1.045 47 T CA 1.036 63.164 62.100 0.047 0.000 1.152 47 T CB -0.126 68.791 68.868 0.081 0.000 0.864 47 T HN 0.395 nan 8.240 nan 0.000 0.419 48 N N -0.065 118.690 118.700 0.092 0.000 2.296 48 N HA 0.466 5.134 4.740 -0.119 0.000 0.294 48 N C 0.488 176.056 175.510 0.096 0.000 1.033 48 N CA 0.482 53.597 53.050 0.108 0.000 0.839 48 N CB 2.067 40.590 38.487 0.061 0.000 1.395 48 N HN 0.486 nan 8.380 nan 0.000 0.479 49 G N 2.017 110.895 108.800 0.130 0.000 2.231 49 G HA2 -0.299 3.590 3.960 -0.119 0.000 0.206 49 G HA3 -0.299 3.590 3.960 -0.119 0.000 0.206 49 G C 1.109 176.038 174.900 0.049 0.000 0.996 49 G CA 0.577 45.739 45.100 0.105 0.000 0.645 49 G HN 0.621 nan 8.290 nan 0.000 0.498 50 K N 0.548 120.981 120.400 0.055 0.000 2.057 50 K HA 0.172 4.420 4.320 -0.119 0.000 0.207 50 K C 2.480 179.076 176.600 -0.008 0.000 1.049 50 K CA 1.915 58.216 56.287 0.024 0.000 0.931 50 K CB -0.809 31.709 32.500 0.031 0.000 0.714 50 K HN 0.572 nan 8.250 nan 0.000 0.440 51 G N 0.818 109.643 108.800 0.042 0.000 2.421 51 G HA2 -0.294 3.594 3.960 -0.119 0.000 0.216 51 G HA3 -0.294 3.594 3.960 -0.119 0.000 0.216 51 G C 1.655 176.275 174.900 -0.467 0.000 1.171 51 G CA 0.951 46.039 45.100 -0.020 0.000 0.775 51 G HN 0.438 nan 8.290 nan 0.000 0.543 52 S N 0.578 115.975 115.700 -0.505 0.000 2.356 52 S HA 0.019 4.417 4.470 -0.119 0.000 0.223 52 S C 2.759 177.102 174.600 -0.429 0.000 1.032 52 S CA 1.657 59.377 58.200 -0.799 0.000 1.005 52 S CB -0.505 62.456 63.200 -0.398 0.000 0.867 52 S HN 0.559 nan 8.310 nan 0.000 0.449 53 A N 1.579 124.267 122.820 -0.221 0.000 1.865 53 A HA 0.113 4.361 4.320 -0.119 0.000 0.217 53 A C 2.485 179.992 177.584 -0.129 0.000 1.191 53 A CA 2.066 54.023 52.037 -0.134 0.000 0.623 53 A CB -1.549 17.413 19.000 -0.063 0.000 0.826 53 A HN 0.749 nan 8.150 nan 0.000 0.444 54 A N 0.207 122.953 122.820 -0.123 0.000 1.917 54 A HA -0.280 3.969 4.320 -0.119 0.000 0.219 54 A C 1.969 179.482 177.584 -0.117 0.000 1.182 54 A CA 2.403 54.382 52.037 -0.096 0.000 0.633 54 A CB -0.886 18.078 19.000 -0.061 0.000 0.819 54 A HN 0.677 nan 8.150 nan 0.000 0.448 55 N N -0.029 118.561 118.700 -0.182 0.000 2.166 55 N HA -0.047 4.622 4.740 -0.119 0.000 0.186 55 N C 1.625 177.156 175.510 0.034 0.000 1.019 55 N CA 1.847 54.844 53.050 -0.089 0.000 0.856 55 N CB -0.324 38.018 38.487 -0.243 0.000 0.993 55 N HN 0.359 nan 8.380 nan 0.000 0.426 56 A N 0.161 122.953 122.820 -0.047 0.000 1.968 56 A HA 0.064 4.313 4.320 -0.119 0.000 0.217 56 A C 2.245 179.836 177.584 0.011 0.000 1.169 56 A CA 0.674 52.718 52.037 0.012 0.000 0.638 56 A CB -0.552 18.414 19.000 -0.058 0.000 0.812 56 A HN 0.373 nan 8.150 nan 0.000 0.446 57 I N -0.130 120.416 120.570 -0.040 0.000 2.179 57 I HA -0.296 3.803 4.170 -0.119 0.000 0.242 57 I C 3.016 179.092 176.117 -0.068 0.000 1.088 57 I CA 1.120 62.383 61.300 -0.062 0.000 1.357 57 I CB -0.401 37.549 38.000 -0.082 0.000 1.051 57 I HN 0.359 nan 8.210 nan 0.000 0.409 58 A N 0.265 123.040 122.820 -0.076 0.000 1.865 58 A HA -0.267 3.981 4.320 -0.119 0.000 0.217 58 A C 2.248 179.833 177.584 0.001 0.000 1.191 58 A CA 1.715 53.693 52.037 -0.098 0.000 0.623 58 A CB -1.060 17.834 19.000 -0.177 0.000 0.826 58 A HN 0.420 nan 8.150 nan 0.000 0.444 59 H N -0.615 118.531 119.070 0.126 0.000 2.319 59 H HA -0.128 4.360 4.556 -0.114 0.000 0.297 59 H C 2.371 177.694 175.328 -0.007 0.000 1.097 59 H CA 1.887 57.951 56.048 0.028 0.000 1.285 59 H CB -0.699 29.014 29.762 -0.081 0.000 1.368 59 H HN 0.266 nan 8.280 nan 0.000 0.495 60 V N 1.350 121.327 119.914 0.104 0.000 2.287 60 V HA -0.249 3.800 4.120 -0.119 0.000 0.248 60 V C 2.898 179.018 176.094 0.043 0.000 1.053 60 V CA 1.512 63.840 62.300 0.047 0.000 1.027 60 V CB -0.651 31.177 31.823 0.007 0.000 0.646 60 V HN 0.273 nan 8.190 nan 0.000 0.447 61 L N -0.641 120.578 121.223 -0.007 0.000 2.141 61 L HA -0.186 4.082 4.340 -0.119 0.000 0.209 61 L C 2.527 179.388 176.870 -0.016 0.000 1.094 61 L CA 1.537 56.350 54.840 -0.045 0.000 0.763 61 L CB -0.544 41.382 42.059 -0.222 0.000 0.908 61 L HN 0.410 nan 8.230 nan 0.000 0.437 62 E N 0.214 120.413 120.200 -0.002 0.000 2.047 62 E HA -0.181 4.098 4.350 -0.119 0.000 0.191 62 E C 2.252 178.893 176.600 0.069 0.000 0.987 62 E CA 1.124 57.538 56.400 0.024 0.000 0.799 62 E CB -0.150 29.586 29.700 0.060 0.000 0.752 62 E HN 0.457 nan 8.360 nan 0.000 0.449 63 A N 1.011 123.881 122.820 0.083 0.000 2.125 63 A HA -0.149 4.100 4.320 -0.119 0.000 0.219 63 A C 2.136 179.780 177.584 0.099 0.000 1.156 63 A CA 1.596 53.680 52.037 0.079 0.000 0.671 63 A CB -0.444 18.592 19.000 0.060 0.000 0.794 63 A HN 0.294 nan 8.150 nan 0.000 0.459 64 S N -2.502 113.288 115.700 0.150 0.000 2.575 64 S HA 0.404 4.802 4.470 -0.119 0.000 0.215 64 S C 1.268 176.079 174.600 0.350 0.000 0.966 64 S CA 1.013 59.358 58.200 0.241 0.000 0.911 64 S CB 0.008 63.442 63.200 0.389 0.000 0.780 64 S HN 1.802 nan 8.310 nan 0.000 0.514 65 G N 0.461 109.413 108.800 0.254 0.000 2.168 65 G HA2 -0.139 3.750 3.960 -0.119 0.000 0.197 65 G HA3 -0.139 3.750 3.960 -0.119 0.000 0.197 65 G C -0.211 174.787 174.900 0.164 0.000 0.997 65 G CA -0.109 45.143 45.100 0.253 0.000 0.658 65 G HN 0.474 nan 8.290 nan 0.000 0.513 66 L N 1.197 122.428 121.223 0.014 0.000 2.360 66 L HA 0.601 4.869 4.340 -0.119 0.000 0.271 66 L C 0.470 177.244 176.870 -0.160 0.000 1.057 66 L CA -0.677 54.030 54.840 -0.221 0.000 0.803 66 L CB 1.664 43.450 42.059 -0.455 0.000 1.207 66 L HN 0.053 nan 8.230 nan 0.000 0.445 67 T N 2.269 116.711 114.554 -0.188 0.000 2.727 67 T HA 0.371 4.649 4.350 -0.119 0.000 0.298 67 T C -0.188 174.374 174.700 -0.230 0.000 0.942 67 T CA -0.307 61.696 62.100 -0.161 0.000 0.997 67 T CB 0.633 69.416 68.868 -0.142 0.000 0.917 67 T HN 0.185 nan 8.240 nan 0.000 0.487 68 V N 3.218 122.998 119.914 -0.224 0.000 2.459 68 V HA 0.703 4.752 4.120 -0.119 0.000 0.295 68 V C 0.827 176.713 176.094 -0.346 0.000 1.029 68 V CA -0.987 61.130 62.300 -0.305 0.000 0.874 68 V CB 1.767 33.420 31.823 -0.284 0.000 0.985 68 V HN 0.924 nan 8.190 nan 0.000 0.438 69 G N 3.351 111.830 108.800 -0.536 0.000 2.400 69 G HA2 0.615 4.504 3.960 -0.119 0.000 0.301 69 G HA3 0.615 4.504 3.960 -0.119 0.000 0.301 69 G C -1.325 173.185 174.900 -0.650 0.000 1.154 69 G CA -0.356 44.249 45.100 -0.826 0.000 0.852 69 G HN 0.582 nan 8.290 nan 0.000 0.511 70 L N 1.637 122.675 121.223 -0.309 0.000 2.438 70 L HA 0.609 4.878 4.340 -0.119 0.000 0.270 70 L C -1.898 175.139 176.870 0.278 0.000 0.972 70 L CA -1.225 53.565 54.840 -0.084 0.000 0.831 70 L CB 1.918 43.850 42.059 -0.212 0.000 1.273 70 L HN 0.503 nan 8.230 nan 0.000 0.405 71 Y N 4.673 125.057 120.300 0.140 0.000 2.388 71 Y HA 0.702 5.191 4.550 -0.103 0.000 0.328 71 Y C -0.255 175.714 175.900 0.115 0.000 0.963 71 Y CA -0.154 58.049 58.100 0.171 0.000 1.240 71 Y CB 1.092 39.663 38.460 0.186 0.000 1.118 71 Y HN 0.815 nan 8.280 nan 0.000 0.484 72 T N 0.721 115.206 114.554 -0.115 0.000 2.804 72 T HA 0.832 5.110 4.350 -0.119 0.000 0.290 72 T C -0.896 173.721 174.700 -0.139 0.000 1.099 72 T CA -0.972 61.065 62.100 -0.105 0.000 1.011 72 T CB 1.786 70.684 68.868 0.049 0.000 1.291 72 T HN 0.510 nan 8.240 nan 0.000 0.523 73 S N 0.770 116.456 115.700 -0.023 0.000 2.543 73 S HA 0.727 5.126 4.470 -0.119 0.000 0.274 73 S C -2.917 171.715 174.600 0.052 0.000 1.149 73 S CA -0.937 57.267 58.200 0.007 0.000 0.866 73 S CB 1.503 64.685 63.200 -0.029 0.000 1.111 73 S HN 0.924 nan 8.310 nan 0.000 0.457 74 P HA 0.539 nan 4.420 nan 0.000 0.310 74 P C -0.915 176.410 177.300 0.043 0.000 1.309 74 P CA -0.650 62.447 63.100 -0.004 0.000 0.769 74 P CB 0.275 31.905 31.700 -0.116 0.000 1.327 75 F N -0.786 119.190 119.950 0.042 0.000 2.385 75 F HA 0.382 4.837 4.527 -0.120 0.000 0.336 75 F C 0.766 176.593 175.800 0.044 0.000 1.100 75 F CA -0.777 57.251 58.000 0.046 0.000 1.116 75 F CB -0.071 38.970 39.000 0.068 0.000 1.166 75 F HN -0.050 nan 8.300 nan 0.000 0.511 76 I N 2.653 123.349 120.570 0.211 0.000 2.522 76 I HA -0.054 4.044 4.170 -0.119 0.000 0.240 76 I C 1.886 178.152 176.117 0.248 0.000 1.078 76 I CA 0.846 62.194 61.300 0.080 0.000 1.422 76 I CB -0.835 37.178 38.000 0.021 0.000 1.188 76 I HN 0.653 nan 8.210 nan 0.000 0.442 77 M N 0.125 119.908 119.600 0.304 0.000 2.240 77 M HA 0.084 4.493 4.480 -0.119 0.000 0.257 77 M C 1.179 177.683 176.300 0.339 0.000 1.107 77 M CA 1.220 56.679 55.300 0.265 0.000 1.169 77 M CB -0.677 32.013 32.600 0.149 0.000 1.307 77 M HN 0.025 nan 8.290 nan 0.000 0.447 78 R N -1.273 119.351 120.500 0.207 0.000 2.888 78 R HA 0.273 4.541 4.340 -0.119 0.000 0.266 78 R C 0.541 176.534 176.300 -0.513 0.000 1.020 78 R CA -0.522 55.511 56.100 -0.111 0.000 0.963 78 R CB 1.868 32.163 30.300 -0.008 0.000 1.197 78 R HN 0.005 nan 8.270 nan 0.000 0.481 79 F N 1.637 121.054 119.950 -0.888 0.000 2.186 79 F HA -0.125 4.332 4.527 -0.117 0.000 0.299 79 F C 1.272 176.983 175.800 -0.148 0.000 1.090 79 F CA 1.679 59.262 58.000 -0.695 0.000 1.307 79 F CB 0.002 38.754 39.000 -0.413 0.000 1.019 79 F HN 0.530 nan 8.300 nan 0.000 0.489 80 N N 0.838 119.506 118.700 -0.053 0.000 2.430 80 N HA -0.185 4.484 4.740 -0.119 0.000 0.186 80 N C 1.230 176.689 175.510 -0.085 0.000 1.032 80 N CA 1.429 54.451 53.050 -0.047 0.000 0.893 80 N CB -0.524 37.991 38.487 0.046 0.000 0.957 80 N HN 0.518 nan 8.380 nan 0.000 0.442 81 E N -0.029 120.135 120.200 -0.059 0.000 2.478 81 E HA 0.009 4.287 4.350 -0.119 0.000 0.198 81 E C 1.244 177.853 176.600 0.015 0.000 1.046 81 E CA 0.137 56.557 56.400 0.033 0.000 0.870 81 E CB 0.159 29.937 29.700 0.131 0.000 0.818 81 E HN 0.294 nan 8.360 nan 0.000 0.527 82 R N 0.297 120.724 120.500 -0.121 0.000 2.153 82 R HA 0.105 4.373 4.340 -0.119 0.000 0.218 82 R C 0.797 177.128 176.300 0.052 0.000 1.072 82 R CA 0.647 56.680 56.100 -0.111 0.000 0.990 82 R CB 0.156 30.252 30.300 -0.339 0.000 0.889 82 R HN 0.177 nan 8.270 nan 0.000 0.452 83 I N 1.443 122.037 120.570 0.039 0.000 2.448 83 I HA 0.313 4.411 4.170 -0.119 0.000 0.281 83 I C -0.497 175.729 176.117 0.181 0.000 1.027 83 I CA -0.176 61.223 61.300 0.164 0.000 1.111 83 I CB 1.512 39.498 38.000 -0.024 0.000 1.236 83 I HN -0.231 nan 8.210 nan 0.000 0.452 84 M N 6.547 126.294 119.600 0.244 0.000 2.530 84 M HA 0.604 5.013 4.480 -0.119 0.000 0.307 84 M C -0.928 175.462 176.300 0.149 0.000 1.161 84 M CA -0.597 54.794 55.300 0.150 0.000 0.903 84 M CB 3.245 35.850 32.600 0.010 0.000 1.711 84 M HN 0.362 nan 8.290 nan 0.000 0.451 85 I N 2.451 123.094 120.570 0.122 0.000 2.410 85 I HA 0.216 4.315 4.170 -0.119 0.000 0.286 85 I C -0.630 175.485 176.117 -0.004 0.000 1.009 85 I CA -0.338 60.984 61.300 0.037 0.000 1.111 85 I CB 1.576 39.628 38.000 0.086 0.000 1.262 85 I HN 0.756 nan 8.210 nan 0.000 0.443 86 D N 5.366 125.727 120.400 -0.065 0.000 2.723 86 D HA -0.243 4.326 4.640 -0.119 0.000 0.236 86 D C 0.282 176.650 176.300 0.113 0.000 1.138 86 D CA 1.046 55.053 54.000 0.012 0.000 0.676 86 D CB -1.175 39.641 40.800 0.026 0.000 1.069 86 D HN 0.829 nan 8.370 nan 0.000 0.430 87 H N -1.988 117.060 119.070 -0.037 0.000 2.820 87 H HA -0.178 4.310 4.556 -0.113 0.000 0.295 87 H C -0.179 175.181 175.328 0.053 0.000 1.187 87 H CA 1.536 57.583 56.048 -0.002 0.000 1.144 87 H CB -0.460 29.294 29.762 -0.012 0.000 1.354 87 H HN 0.189 nan 8.280 nan 0.000 0.395 88 E N 0.659 120.925 120.200 0.111 0.000 2.155 88 E HA 0.270 4.548 4.350 -0.119 0.000 0.264 88 E C -2.383 174.276 176.600 0.098 0.000 0.886 88 E CA -2.070 54.394 56.400 0.106 0.000 0.752 88 E CB 1.387 31.143 29.700 0.094 0.000 1.133 88 E HN 0.132 nan 8.360 nan 0.000 0.414 89 P HA 0.047 nan 4.420 nan 0.000 0.267 89 P C 0.366 177.704 177.300 0.062 0.000 1.200 89 P CA -0.074 63.066 63.100 0.067 0.000 0.772 89 P CB 0.603 32.334 31.700 0.051 0.000 0.855 90 I N 4.241 124.831 120.570 0.033 0.000 2.752 90 I HA 0.051 4.149 4.170 -0.119 0.000 0.289 90 I C -2.086 174.032 176.117 0.001 0.000 1.197 90 I CA -1.850 59.443 61.300 -0.013 0.000 1.432 90 I CB 0.512 38.368 38.000 -0.239 0.000 1.359 90 I HN 0.267 nan 8.210 nan 0.000 0.571 91 P HA 0.055 nan 4.420 nan 0.000 0.269 91 P C -0.204 177.100 177.300 0.008 0.000 1.209 91 P CA -0.097 63.011 63.100 0.013 0.000 0.776 91 P CB 0.530 32.254 31.700 0.040 0.000 0.876 92 D N 1.932 122.302 120.400 -0.051 0.000 2.116 92 D HA -0.201 4.367 4.640 -0.119 0.000 0.193 92 D C 1.964 178.319 176.300 0.092 0.000 0.998 92 D CA 2.152 56.125 54.000 -0.046 0.000 0.836 92 D CB -0.820 39.774 40.800 -0.344 0.000 0.951 92 D HN 0.380 nan 8.370 nan 0.000 0.449 93 A N 0.781 123.629 122.820 0.046 0.000 1.933 93 A HA -0.046 4.203 4.320 -0.119 0.000 0.218 93 A C 2.286 179.923 177.584 0.088 0.000 1.175 93 A CA 2.277 54.356 52.037 0.070 0.000 0.628 93 A CB -0.722 18.308 19.000 0.049 0.000 0.814 93 A HN 0.248 nan 8.150 nan 0.000 0.444 94 A N -0.788 122.080 122.820 0.081 0.000 1.969 94 A HA 0.040 4.289 4.320 -0.119 0.000 0.218 94 A C 2.067 179.685 177.584 0.056 0.000 1.169 94 A CA 1.603 53.698 52.037 0.096 0.000 0.635 94 A CB -0.460 18.606 19.000 0.110 0.000 0.810 94 A HN 0.634 nan 8.150 nan 0.000 0.445 95 L N -0.159 121.093 121.223 0.049 0.000 2.109 95 L HA -0.037 4.231 4.340 -0.119 0.000 0.207 95 L C 2.295 179.231 176.870 0.110 0.000 1.086 95 L CA 1.617 56.494 54.840 0.063 0.000 0.760 95 L CB -0.485 41.673 42.059 0.165 0.000 0.910 95 L HN 0.137 nan 8.230 nan 0.000 0.437 96 V N 0.269 120.262 119.914 0.132 0.000 2.343 96 V HA -0.260 3.788 4.120 -0.119 0.000 0.247 96 V C 2.394 178.544 176.094 0.093 0.000 1.051 96 V CA 1.819 64.183 62.300 0.106 0.000 1.036 96 V CB -0.912 30.974 31.823 0.106 0.000 0.654 96 V HN 0.495 nan 8.190 nan 0.000 0.451 97 N N 0.514 119.282 118.700 0.112 0.000 2.106 97 N HA -0.076 4.593 4.740 -0.119 0.000 0.188 97 N C 1.937 177.537 175.510 0.150 0.000 1.029 97 N CA 1.683 54.814 53.050 0.135 0.000 0.848 97 N CB -0.589 37.996 38.487 0.162 0.000 1.007 97 N HN 0.463 nan 8.380 nan 0.000 0.423 98 A N 0.942 123.863 122.820 0.169 0.000 1.865 98 A HA -0.111 4.137 4.320 -0.119 0.000 0.217 98 A C 2.525 180.125 177.584 0.026 0.000 1.191 98 A CA 1.628 53.742 52.037 0.128 0.000 0.623 98 A CB -1.007 18.109 19.000 0.194 0.000 0.826 98 A HN 0.094 nan 8.150 nan 0.000 0.444 99 V N -0.047 119.928 119.914 0.102 0.000 2.282 99 V HA -0.321 3.728 4.120 -0.119 0.000 0.249 99 V C 3.058 179.241 176.094 0.149 0.000 1.057 99 V CA 2.219 64.643 62.300 0.206 0.000 1.032 99 V CB -1.322 30.637 31.823 0.227 0.000 0.645 99 V HN 0.648 nan 8.190 nan 0.000 0.447 100 A N -0.928 121.931 122.820 0.065 0.000 1.933 100 A HA -0.226 4.023 4.320 -0.119 0.000 0.218 100 A C 2.103 179.682 177.584 -0.007 0.000 1.175 100 A CA 1.987 54.030 52.037 0.010 0.000 0.628 100 A CB -0.663 18.347 19.000 0.017 0.000 0.814 100 A HN 0.532 nan 8.150 nan 0.000 0.444 101 F N 0.659 120.507 119.950 -0.171 0.000 2.113 101 F HA -0.116 4.347 4.527 -0.106 0.000 0.297 101 F C 2.146 177.745 175.800 -0.334 0.000 1.103 101 F CA 1.915 59.736 58.000 -0.298 0.000 1.248 101 F CB -0.122 38.534 39.000 -0.572 0.000 0.999 101 F HN 0.016 nan 8.300 nan 0.000 0.475 102 V N 0.790 120.551 119.914 -0.255 0.000 2.759 102 V HA -0.212 3.837 4.120 -0.119 0.000 0.256 102 V C 2.453 178.539 176.094 -0.014 0.000 1.080 102 V CA 1.845 63.982 62.300 -0.273 0.000 1.101 102 V CB -0.876 30.692 31.823 -0.426 0.000 0.698 102 V HN 0.310 nan 8.190 nan 0.000 0.477 103 R N 0.419 120.975 120.500 0.094 0.000 2.075 103 R HA -0.048 4.221 4.340 -0.119 0.000 0.226 103 R C 2.342 178.654 176.300 0.019 0.000 1.114 103 R CA 1.347 57.555 56.100 0.182 0.000 0.972 103 R CB -0.324 30.010 30.300 0.056 0.000 0.869 103 R HN 0.461 nan 8.270 nan 0.000 0.437 104 A N 0.836 123.582 122.820 -0.123 0.000 1.933 104 A HA -0.086 4.162 4.320 -0.119 0.000 0.218 104 A C 2.305 179.788 177.584 -0.168 0.000 1.175 104 A CA 1.608 53.550 52.037 -0.158 0.000 0.628 104 A CB -0.646 18.214 19.000 -0.234 0.000 0.814 104 A HN 0.513 nan 8.150 nan 0.000 0.444 105 A N -0.278 122.384 122.820 -0.264 0.000 1.877 105 A HA -0.069 4.180 4.320 -0.119 0.000 0.216 105 A C 2.214 179.772 177.584 -0.044 0.000 1.186 105 A CA 1.466 53.376 52.037 -0.212 0.000 0.620 105 A CB -0.671 18.150 19.000 -0.297 0.000 0.822 105 A HN 0.515 nan 8.150 nan 0.000 0.443 106 L N -0.410 120.845 121.223 0.053 0.000 1.989 106 L HA -0.254 4.014 4.340 -0.119 0.000 0.211 106 L C 2.644 179.607 176.870 0.155 0.000 1.071 106 L CA 2.295 57.253 54.840 0.197 0.000 0.749 106 L CB -0.507 41.758 42.059 0.344 0.000 0.890 106 L HN 0.542 nan 8.230 nan 0.000 0.431 107 E N -0.606 119.652 120.200 0.097 0.000 2.118 107 E HA -0.281 3.998 4.350 -0.119 0.000 0.195 107 E C 2.202 178.822 176.600 0.033 0.000 0.992 107 E CA 1.185 57.622 56.400 0.063 0.000 0.804 107 E CB -0.050 29.665 29.700 0.025 0.000 0.741 107 E HN 0.395 nan 8.360 nan 0.000 0.458 108 R N 0.572 121.071 120.500 -0.002 0.000 2.083 108 R HA -0.124 4.145 4.340 -0.119 0.000 0.237 108 R C 2.379 178.674 176.300 -0.008 0.000 1.137 108 R CA 1.095 57.185 56.100 -0.017 0.000 0.951 108 R CB -0.333 29.940 30.300 -0.045 0.000 0.851 108 R HN 0.155 nan 8.270 nan 0.000 0.434 109 L N 0.247 121.468 121.223 -0.004 0.000 2.083 109 L HA -0.234 4.035 4.340 -0.119 0.000 0.209 109 L C 2.229 179.114 176.870 0.025 0.000 1.083 109 L CA 1.430 56.244 54.840 -0.044 0.000 0.752 109 L CB -0.330 41.661 42.059 -0.114 0.000 0.899 109 L HN 0.302 nan 8.230 nan 0.000 0.433 110 Q N -0.772 119.097 119.800 0.114 0.000 2.436 110 Q HA -0.221 4.047 4.340 -0.119 0.000 0.209 110 Q C 1.997 178.039 176.000 0.070 0.000 0.965 110 Q CA 0.690 56.576 55.803 0.137 0.000 0.910 110 Q CB 0.049 28.875 28.738 0.146 0.000 0.980 110 Q HN 0.500 nan 8.270 nan 0.000 0.491 111 Q N 0.009 119.832 119.800 0.038 0.000 2.389 111 Q HA -0.127 4.141 4.340 -0.119 0.000 0.204 111 Q C 1.379 177.386 176.000 0.011 0.000 0.944 111 Q CA 0.800 56.615 55.803 0.019 0.000 0.908 111 Q CB 0.405 29.147 28.738 0.007 0.000 1.002 111 Q HN 0.376 nan 8.270 nan 0.000 0.493 112 Q N -0.309 119.493 119.800 0.003 0.000 2.388 112 Q HA 0.066 4.334 4.340 -0.119 0.000 0.204 112 Q C 0.186 176.187 176.000 0.003 0.000 0.946 112 Q CA 0.416 56.213 55.803 -0.009 0.000 0.880 112 Q CB 0.608 29.325 28.738 -0.035 0.000 0.997 112 Q HN 0.124 nan 8.270 nan 0.000 0.552 113 Q N 0.105 119.915 119.800 0.015 0.000 2.506 113 Q HA 0.419 4.687 4.340 -0.119 0.000 0.242 113 Q C 0.169 176.238 176.000 0.114 0.000 1.060 113 Q CA -0.238 55.600 55.803 0.059 0.000 0.826 113 Q CB 0.990 29.764 28.738 0.060 0.000 1.169 113 Q HN 0.340 nan 8.270 nan 0.000 0.521 114 A N 3.871 126.737 122.820 0.077 0.000 1.915 114 A HA -0.219 4.029 4.320 -0.119 0.000 0.220 114 A C 1.084 178.721 177.584 0.087 0.000 1.198 114 A CA 2.035 54.115 52.037 0.071 0.000 0.647 114 A CB -0.129 18.897 19.000 0.044 0.000 0.825 114 A HN 0.813 nan 8.150 nan 0.000 0.456 115 D N -2.000 118.457 120.400 0.094 0.000 2.342 115 D HA 0.173 4.741 4.640 -0.119 0.000 0.221 115 D C -0.123 176.236 176.300 0.097 0.000 1.101 115 D CA -0.246 53.799 54.000 0.075 0.000 0.837 115 D CB -0.155 40.675 40.800 0.049 0.000 0.938 115 D HN 0.395 nan 8.370 nan 0.000 0.508 116 F N 1.869 121.837 119.950 0.030 0.000 2.471 116 F HA 0.255 4.709 4.527 -0.122 0.000 0.353 116 F C 0.439 176.276 175.800 0.062 0.000 1.113 116 F CA 0.158 58.183 58.000 0.043 0.000 1.262 116 F CB 0.504 39.529 39.000 0.041 0.000 1.146 116 F HN -0.237 nan 8.300 nan 0.000 0.578 117 N N 2.906 121.031 118.700 -0.959 0.000 3.179 117 N HA 0.528 5.196 4.740 -0.119 0.000 0.250 117 N C -2.050 173.087 175.510 -0.622 0.000 1.507 117 N CA -0.359 52.367 53.050 -0.539 0.000 0.883 117 N CB 1.937 40.313 38.487 -0.184 0.000 1.435 117 N HN 0.557 nan 8.380 nan 0.000 0.532 118 V N -0.010 119.798 119.914 -0.176 0.000 3.160 118 V HA 0.692 4.740 4.120 -0.119 0.000 0.310 118 V C 0.048 176.149 176.094 0.011 0.000 1.181 118 V CA -0.313 61.925 62.300 -0.103 0.000 1.047 118 V CB 1.925 33.723 31.823 -0.041 0.000 1.068 118 V HN 0.945 nan 8.190 nan 0.000 0.441 119 T N -0.498 114.051 114.554 -0.008 0.000 2.824 119 T HA 0.359 4.637 4.350 -0.119 0.000 0.277 119 T C 0.957 175.622 174.700 -0.058 0.000 0.975 119 T CA 0.623 62.747 62.100 0.039 0.000 0.966 119 T CB 1.171 70.091 68.868 0.086 0.000 1.054 119 T HN 0.842 nan 8.240 nan 0.000 0.533 120 E N -0.326 119.906 120.200 0.054 0.000 2.017 120 E HA -0.146 4.132 4.350 -0.119 0.000 0.193 120 E C 1.705 178.397 176.600 0.153 0.000 0.997 120 E CA 1.069 57.501 56.400 0.053 0.000 0.804 120 E CB -0.268 29.552 29.700 0.200 0.000 0.757 120 E HN 0.661 nan 8.360 nan 0.000 0.448 121 F N 1.954 121.950 119.950 0.077 0.000 2.171 121 F HA -0.134 4.327 4.527 -0.111 0.000 0.300 121 F C 1.911 177.775 175.800 0.107 0.000 1.090 121 F CA 1.670 59.743 58.000 0.121 0.000 1.293 121 F CB -0.065 39.002 39.000 0.110 0.000 1.013 121 F HN 0.083 nan 8.300 nan 0.000 0.486 122 E N -0.959 119.266 120.200 0.041 0.000 2.106 122 E HA -0.229 4.049 4.350 -0.119 0.000 0.192 122 E C 2.120 178.651 176.600 -0.114 0.000 0.984 122 E CA 1.354 57.720 56.400 -0.057 0.000 0.806 122 E CB -0.506 29.211 29.700 0.028 0.000 0.750 122 E HN 0.484 nan 8.360 nan 0.000 0.458 123 F N 1.354 121.119 119.950 -0.308 0.000 2.146 123 F HA -0.130 4.333 4.527 -0.107 0.000 0.298 123 F C 1.985 177.644 175.800 -0.235 0.000 1.096 123 F CA 1.239 59.011 58.000 -0.379 0.000 1.275 123 F CB 0.028 38.520 39.000 -0.846 0.000 1.008 123 F HN -0.101 nan 8.300 nan 0.000 0.480 124 I N -0.668 119.905 120.570 0.004 0.000 2.252 124 I HA -0.276 3.822 4.170 -0.119 0.000 0.245 124 I C 2.154 178.117 176.117 -0.256 0.000 1.102 124 I CA 1.602 62.913 61.300 0.018 0.000 1.385 124 I CB -0.840 37.324 38.000 0.274 0.000 1.064 124 I HN 0.101 nan 8.210 nan 0.000 0.414 125 T N 0.779 115.094 114.554 -0.398 0.000 2.821 125 T HA -0.098 4.181 4.350 -0.119 0.000 0.267 125 T C 2.048 176.397 174.700 -0.584 0.000 1.046 125 T CA 1.353 63.039 62.100 -0.690 0.000 1.139 125 T CB -0.210 68.268 68.868 -0.650 0.000 0.871 125 T HN 0.461 nan 8.240 nan 0.000 0.454 126 A N 1.076 123.698 122.820 -0.331 0.000 1.898 126 A HA 0.095 4.343 4.320 -0.119 0.000 0.216 126 A C 2.256 179.725 177.584 -0.192 0.000 1.181 126 A CA 1.040 52.976 52.037 -0.168 0.000 0.620 126 A CB -0.784 18.102 19.000 -0.191 0.000 0.819 126 A HN 0.481 nan 8.150 nan 0.000 0.442 127 L N -0.465 120.546 121.223 -0.354 0.000 2.093 127 L HA -0.046 4.222 4.340 -0.119 0.000 0.208 127 L C 2.447 179.203 176.870 -0.190 0.000 1.085 127 L CA 1.587 56.278 54.840 -0.248 0.000 0.755 127 L CB -0.529 41.334 42.059 -0.326 0.000 0.904 127 L HN 0.382 nan 8.230 nan 0.000 0.435 128 G N -1.136 107.370 108.800 -0.491 0.000 2.421 128 G HA2 -0.318 3.571 3.960 -0.119 0.000 0.216 128 G HA3 -0.318 3.571 3.960 -0.119 0.000 0.216 128 G C 1.205 175.661 174.900 -0.739 0.000 1.171 128 G CA 0.933 45.528 45.100 -0.842 0.000 0.775 128 G HN 0.375 nan 8.290 nan 0.000 0.543 129 Y N -0.866 119.230 120.300 -0.340 0.000 2.181 129 Y HA -0.054 4.402 4.550 -0.156 0.000 0.288 129 Y C 2.463 178.378 175.900 0.026 0.000 1.146 129 Y CA 0.570 58.633 58.100 -0.063 0.000 1.164 129 Y CB -0.815 37.610 38.460 -0.058 0.000 0.982 129 Y HN 0.396 nan 8.280 nan 0.000 0.515 130 W N -0.532 120.782 121.300 0.023 0.000 2.354 130 W HA -0.316 4.320 4.660 -0.040 0.000 0.315 130 W C 2.484 178.989 176.519 -0.022 0.000 1.206 130 W CA 2.149 59.496 57.345 0.005 0.000 1.290 130 W CB -1.180 28.281 29.460 0.001 0.000 1.152 130 W HN 0.169 nan 8.180 nan 0.000 0.489 131 Y N 0.013 120.309 120.300 -0.008 0.000 2.114 131 Y HA -0.316 4.193 4.550 -0.069 0.000 0.282 131 Y C 2.278 178.051 175.900 -0.212 0.000 1.165 131 Y CA 2.400 60.376 58.100 -0.206 0.000 1.148 131 Y CB -1.301 37.040 38.460 -0.198 0.000 0.972 131 Y HN 0.042 nan 8.280 nan 0.000 0.504 132 F N -0.737 119.130 119.950 -0.139 0.000 2.202 132 F HA -0.254 4.140 4.527 -0.222 0.000 0.301 132 F C 2.421 178.047 175.800 -0.289 0.000 1.082 132 F CA 0.616 58.484 58.000 -0.221 0.000 1.313 132 F CB -0.157 38.821 39.000 -0.037 0.000 1.024 132 F HN -0.045 nan 8.300 nan 0.000 0.495 133 R N 0.407 120.848 120.500 -0.098 0.000 2.093 133 R HA -0.119 4.149 4.340 -0.119 0.000 0.224 133 R C 2.062 178.131 176.300 -0.386 0.000 1.101 133 R CA 0.850 56.824 56.100 -0.210 0.000 0.979 133 R CB -0.933 29.257 30.300 -0.184 0.000 0.877 133 R HN 0.397 nan 8.270 nan 0.000 0.441 134 Q N 0.498 119.921 119.800 -0.628 0.000 2.050 134 Q HA -0.125 4.143 4.340 -0.119 0.000 0.202 134 Q C 1.371 177.081 176.000 -0.482 0.000 0.980 134 Q CA 1.321 56.704 55.803 -0.701 0.000 0.840 134 Q CB 0.134 28.250 28.738 -1.037 0.000 0.898 134 Q HN 0.030 nan 8.270 nan 0.000 0.424 135 R N 0.554 120.745 120.500 -0.515 0.000 2.323 135 R HA 0.015 4.283 4.340 -0.119 0.000 0.198 135 R C 0.130 176.268 176.300 -0.269 0.000 0.988 135 R CA 0.371 56.234 56.100 -0.396 0.000 1.041 135 R CB -0.274 29.723 30.300 -0.506 0.000 0.926 135 R HN 0.453 nan 8.270 nan 0.000 0.476 136 Q N 0.352 119.998 119.800 -0.256 0.000 2.452 136 Q HA -0.131 4.138 4.340 -0.119 0.000 0.318 136 Q C 0.019 175.904 176.000 -0.191 0.000 1.386 136 Q CA 0.531 56.213 55.803 -0.202 0.000 0.872 136 Q CB -1.614 27.020 28.738 -0.174 0.000 1.151 136 Q HN 0.304 nan 8.270 nan 0.000 0.417 137 V N -3.041 116.750 119.914 -0.205 0.000 3.096 137 V HA 0.054 4.102 4.120 -0.119 0.000 0.306 137 V C 1.245 177.186 176.094 -0.254 0.000 1.088 137 V CA 0.246 62.404 62.300 -0.236 0.000 1.129 137 V CB 1.126 32.766 31.823 -0.307 0.000 1.014 137 V HN 0.253 nan 8.190 nan 0.000 0.486 138 D N 0.838 121.077 120.400 -0.268 0.000 2.123 138 D HA 0.072 4.641 4.640 -0.119 0.000 0.200 138 D C 0.438 176.563 176.300 -0.292 0.000 0.976 138 D CA 1.764 55.601 54.000 -0.271 0.000 0.831 138 D CB 0.825 41.434 40.800 -0.319 0.000 0.974 138 D HN 0.478 nan 8.370 nan 0.000 0.469 139 V N -0.625 119.073 119.914 -0.359 0.000 3.048 139 V HA 0.616 4.664 4.120 -0.119 0.000 0.303 139 V C -1.891 173.933 176.094 -0.450 0.000 1.214 139 V CA -0.751 61.311 62.300 -0.396 0.000 0.984 139 V CB 2.147 33.688 31.823 -0.471 0.000 1.054 139 V HN 0.073 nan 8.190 nan 0.000 0.430 140 A N 5.016 127.586 122.820 -0.417 0.000 2.319 140 A HA 0.788 5.036 4.320 -0.119 0.000 0.310 140 A C -0.965 176.528 177.584 -0.151 0.000 1.152 140 A CA -0.506 51.282 52.037 -0.414 0.000 0.783 140 A CB 1.620 20.367 19.000 -0.423 0.000 1.184 140 A HN 1.134 nan 8.150 nan 0.000 0.474 141 V N 4.725 124.534 119.914 -0.176 0.000 2.389 141 V HA 0.206 4.255 4.120 -0.119 0.000 0.264 141 V C -0.188 175.952 176.094 0.076 0.000 1.049 141 V CA -0.228 62.042 62.300 -0.050 0.000 0.932 141 V CB 0.363 32.124 31.823 -0.104 0.000 1.011 141 V HN 0.637 nan 8.190 nan 0.000 0.475 142 I N 4.405 125.082 120.570 0.178 0.000 2.336 142 I HA 0.397 4.495 4.170 -0.119 0.000 0.292 142 I C 0.356 176.661 176.117 0.314 0.000 0.991 142 I CA -0.316 61.153 61.300 0.283 0.000 1.227 142 I CB 1.393 39.539 38.000 0.244 0.000 1.366 142 I HN 0.697 nan 8.210 nan 0.000 0.466 143 E N 5.794 126.152 120.200 0.264 0.000 2.146 143 E HA 0.354 4.632 4.350 -0.119 0.000 0.282 143 E C -0.938 175.802 176.600 0.232 0.000 0.989 143 E CA -0.602 55.908 56.400 0.184 0.000 0.799 143 E CB 1.590 31.339 29.700 0.082 0.000 1.088 143 E HN 0.356 nan 8.360 nan 0.000 0.397 144 V N 4.574 124.599 119.914 0.185 0.000 2.763 144 V HA 0.003 4.051 4.120 -0.119 0.000 0.306 144 V C 1.511 177.675 176.094 0.116 0.000 1.059 144 V CA 0.974 63.380 62.300 0.175 0.000 1.138 144 V CB 1.315 33.140 31.823 0.002 0.000 0.940 144 V HN 1.001 nan 8.190 nan 0.000 0.489 145 G N 5.091 113.986 108.800 0.160 0.000 2.484 145 G HA2 0.000 3.889 3.960 -0.119 0.000 0.215 145 G HA3 0.000 3.889 3.960 -0.119 0.000 0.215 145 G C 0.399 175.193 174.900 -0.176 0.000 1.219 145 G CA 0.712 45.715 45.100 -0.162 0.000 0.791 145 G HN 0.468 nan 8.290 nan 0.000 0.550 146 I N -0.896 119.587 120.570 -0.146 0.000 2.722 146 I HA 0.470 4.569 4.170 -0.119 0.000 0.292 146 I C 0.959 176.971 176.117 -0.175 0.000 1.267 146 I CA 0.260 61.434 61.300 -0.209 0.000 1.036 146 I CB 0.935 38.830 38.000 -0.175 0.000 1.281 146 I HN 0.630 nan 8.210 nan 0.000 0.423 147 G N 4.705 113.367 108.800 -0.229 0.000 2.889 147 G HA2 -0.099 3.789 3.960 -0.119 0.000 0.308 147 G HA3 -0.099 3.789 3.960 -0.119 0.000 0.308 147 G C 0.599 175.465 174.900 -0.056 0.000 1.248 147 G CA 0.920 45.925 45.100 -0.158 0.000 0.982 147 G HN 1.773 nan 8.290 nan 0.000 0.571 148 G N -0.924 107.885 108.800 0.016 0.000 4.444 148 G HA2 0.166 4.055 3.960 -0.119 0.000 0.158 148 G HA3 0.166 4.055 3.960 -0.119 0.000 0.158 148 G C 0.743 175.718 174.900 0.124 0.000 1.789 148 G CA 1.221 46.337 45.100 0.027 0.000 0.886 148 G HN 1.279 nan 8.290 nan 0.000 0.284 149 D N 1.114 121.609 120.400 0.157 0.000 2.204 149 D HA -0.173 4.395 4.640 -0.119 0.000 0.189 149 D C 2.322 178.779 176.300 0.262 0.000 1.006 149 D CA 3.421 57.531 54.000 0.183 0.000 0.855 149 D CB -0.194 40.694 40.800 0.147 0.000 0.946 149 D HN 0.607 nan 8.370 nan 0.000 0.448 150 T N -2.651 112.047 114.554 0.240 0.000 3.186 150 T HA 0.175 4.453 4.350 -0.119 0.000 0.257 150 T C 0.104 174.948 174.700 0.240 0.000 1.029 150 T CA -0.301 61.892 62.100 0.155 0.000 0.916 150 T CB -0.161 68.742 68.868 0.058 0.000 1.041 150 T HN 0.055 nan 8.240 nan 0.000 0.562 151 D N 0.765 121.360 120.400 0.326 0.000 2.382 151 D HA 0.262 4.831 4.640 -0.119 0.000 0.245 151 D C 1.192 177.775 176.300 0.472 0.000 1.120 151 D CA -0.073 54.130 54.000 0.338 0.000 0.890 151 D CB 1.093 42.058 40.800 0.274 0.000 1.201 151 D HN 0.000 nan 8.370 nan 0.000 0.433 152 S N 0.935 116.926 115.700 0.485 0.000 2.420 152 S HA -0.196 4.202 4.470 -0.119 0.000 0.237 152 S C 1.944 176.690 174.600 0.244 0.000 1.023 152 S CA 1.599 60.027 58.200 0.381 0.000 0.991 152 S CB -0.396 62.959 63.200 0.259 0.000 0.792 152 S HN 0.803 nan 8.310 nan 0.000 0.488 153 T N -0.545 114.189 114.554 0.300 0.000 3.043 153 T HA 0.053 4.331 4.350 -0.119 0.000 0.263 153 T C 0.879 175.697 174.700 0.197 0.000 1.094 153 T CA 0.450 62.717 62.100 0.279 0.000 1.127 153 T CB -0.439 68.666 68.868 0.395 0.000 0.905 153 T HN 0.154 nan 8.240 nan 0.000 0.490 154 N N 1.425 120.252 118.700 0.211 0.000 2.892 154 N HA 0.148 4.817 4.740 -0.119 0.000 0.300 154 N C -0.204 175.133 175.510 -0.288 0.000 1.211 154 N CA -0.096 53.035 53.050 0.135 0.000 1.158 154 N CB -0.060 38.546 38.487 0.198 0.000 1.455 154 N HN 0.258 nan 8.380 nan 0.000 0.524 155 V N 3.551 123.305 119.914 -0.267 0.000 3.293 155 V HA 0.285 4.334 4.120 -0.119 0.000 0.381 155 V C -0.369 175.520 176.094 -0.340 0.000 1.465 155 V CA -0.342 61.758 62.300 -0.334 0.000 1.331 155 V CB -0.523 31.108 31.823 -0.320 0.000 1.160 155 V HN 0.396 nan 8.190 nan 0.000 0.565 156 I N -2.533 117.832 120.570 -0.342 0.000 3.002 156 I HA 0.708 4.807 4.170 -0.119 0.000 0.310 156 I C -0.472 175.534 176.117 -0.185 0.000 1.087 156 I CA -0.669 60.389 61.300 -0.403 0.000 1.017 156 I CB 2.407 39.943 38.000 -0.774 0.000 1.226 156 I HN -0.114 nan 8.210 nan 0.000 0.443 157 T N 4.098 118.591 114.554 -0.101 0.000 2.874 157 T HA 0.446 4.724 4.350 -0.119 0.000 0.321 157 T C -2.300 172.442 174.700 0.071 0.000 1.075 157 T CA -0.897 61.203 62.100 0.001 0.000 0.966 157 T CB 0.747 69.624 68.868 0.014 0.000 1.001 157 T HN 0.530 nan 8.240 nan 0.000 0.476 158 P HA 0.313 nan 4.420 nan 0.000 0.277 158 P C 0.656 178.037 177.300 0.135 0.000 1.271 158 P CA -0.477 62.717 63.100 0.156 0.000 0.795 158 P CB 1.273 33.075 31.700 0.170 0.000 1.101 159 V N -0.331 119.676 119.914 0.155 0.000 2.599 159 V HA 0.005 4.053 4.120 -0.119 0.000 0.245 159 V C 0.949 177.118 176.094 0.126 0.000 1.046 159 V CA 1.112 63.483 62.300 0.118 0.000 1.065 159 V CB 0.024 31.936 31.823 0.149 0.000 0.703 159 V HN 0.338 nan 8.190 nan 0.000 0.464 160 V N -1.617 118.394 119.914 0.161 0.000 3.087 160 V HA 0.566 4.614 4.120 -0.119 0.000 0.306 160 V C -0.867 175.317 176.094 0.151 0.000 1.187 160 V CA -0.573 61.814 62.300 0.146 0.000 0.999 160 V CB 2.051 33.965 31.823 0.152 0.000 1.049 160 V HN 0.101 nan 8.190 nan 0.000 0.431 161 S N 1.245 117.024 115.700 0.133 0.000 2.502 161 S HA 0.784 5.182 4.470 -0.119 0.000 0.304 161 S C -0.654 174.009 174.600 0.104 0.000 1.097 161 S CA -0.576 57.700 58.200 0.126 0.000 1.045 161 S CB 1.854 65.112 63.200 0.097 0.000 1.019 161 S HN 0.551 nan 8.310 nan 0.000 0.481 162 V N 4.045 124.013 119.914 0.089 0.000 2.555 162 V HA 0.568 4.616 4.120 -0.119 0.000 0.302 162 V C -0.533 175.593 176.094 0.053 0.000 1.038 162 V CA -0.665 61.685 62.300 0.082 0.000 0.887 162 V CB 1.621 33.486 31.823 0.070 0.000 0.991 162 V HN 0.807 nan 8.190 nan 0.000 0.434 163 L N 4.727 125.994 121.223 0.072 0.000 2.492 163 L HA 0.305 4.574 4.340 -0.119 0.000 0.258 163 L C 1.431 178.350 176.870 0.081 0.000 1.028 163 L CA -0.166 54.703 54.840 0.049 0.000 0.900 163 L CB 1.769 43.844 42.059 0.026 0.000 1.191 163 L HN 0.924 nan 8.230 nan 0.000 0.459 164 T N 0.909 115.500 114.554 0.062 0.000 2.622 164 T HA -0.106 4.172 4.350 -0.119 0.000 0.266 164 T C 0.446 175.187 174.700 0.069 0.000 1.047 164 T CA 1.421 63.559 62.100 0.064 0.000 1.159 164 T CB -0.110 68.783 68.868 0.041 0.000 0.863 164 T HN 0.735 nan 8.240 nan 0.000 0.422 165 E N -1.228 119.005 120.200 0.055 0.000 2.409 165 E HA 0.577 4.855 4.350 -0.119 0.000 0.280 165 E C -2.146 174.479 176.600 0.042 0.000 1.079 165 E CA -1.222 55.212 56.400 0.057 0.000 0.840 165 E CB 1.509 31.241 29.700 0.053 0.000 1.309 165 E HN 0.031 nan 8.360 nan 0.000 0.447 166 V N 0.491 120.432 119.914 0.044 0.000 2.448 166 V HA 0.893 4.941 4.120 -0.119 0.000 0.295 166 V C -0.434 175.684 176.094 0.041 0.000 1.025 166 V CA 0.134 62.455 62.300 0.036 0.000 0.859 166 V CB 0.928 32.771 31.823 0.033 0.000 0.988 166 V HN 0.926 nan 8.190 nan 0.000 0.431 167 A N 3.101 125.948 122.820 0.046 0.000 2.569 167 A HA 0.871 5.120 4.320 -0.119 0.000 0.290 167 A C 0.203 177.820 177.584 0.056 0.000 1.136 167 A CA 0.074 52.138 52.037 0.044 0.000 0.710 167 A CB 1.558 20.580 19.000 0.036 0.000 1.303 167 A HN 1.653 nan 8.150 nan 0.000 0.413 168 L N -0.319 120.927 121.223 0.040 0.000 2.645 168 L HA 0.275 4.543 4.340 -0.119 0.000 0.234 168 L C 0.945 177.834 176.870 0.031 0.000 1.165 168 L CA 1.758 56.623 54.840 0.041 0.000 0.944 168 L CB -2.076 40.002 42.059 0.030 0.000 1.149 168 L HN 0.843 nan 8.230 nan 0.000 0.446 169 D N -0.657 119.768 120.400 0.042 0.000 2.097 169 D HA -0.139 4.429 4.640 -0.119 0.000 0.195 169 D C 1.203 177.438 176.300 -0.109 0.000 0.989 169 D CA 1.915 55.894 54.000 -0.035 0.000 0.827 169 D CB -0.111 40.674 40.800 -0.024 0.000 0.966 169 D HN 0.822 nan 8.370 nan 0.000 0.456 170 H N 0.108 119.164 119.070 -0.025 0.000 2.568 170 H HA 0.175 4.660 4.556 -0.118 0.000 0.302 170 H C 1.154 176.454 175.328 -0.047 0.000 1.065 170 H CA -0.132 55.893 56.048 -0.039 0.000 1.140 170 H CB -0.005 29.724 29.762 -0.056 0.000 1.474 170 H HN 0.071 nan 8.280 nan 0.000 0.545 171 Q N 1.421 121.254 119.800 0.054 0.000 2.449 171 Q HA -0.218 4.050 4.340 -0.119 0.000 0.214 171 Q C 1.997 177.994 176.000 -0.004 0.000 0.986 171 Q CA 1.628 57.448 55.803 0.029 0.000 0.893 171 Q CB 0.092 28.861 28.738 0.050 0.000 0.940 171 Q HN 0.665 nan 8.270 nan 0.000 0.477 172 K N 0.141 120.540 120.400 -0.002 0.000 2.365 172 K HA 0.071 4.319 4.320 -0.119 0.000 0.197 172 K C 1.707 178.283 176.600 -0.039 0.000 1.042 172 K CA 0.759 57.040 56.287 -0.011 0.000 0.987 172 K CB 0.068 32.565 32.500 -0.005 0.000 0.779 172 K HN 0.305 nan 8.250 nan 0.000 0.484 173 L N -1.092 120.105 121.223 -0.044 0.000 2.526 173 L HA 0.216 4.485 4.340 -0.119 0.000 0.210 173 L C 3.038 179.824 176.870 -0.140 0.000 1.048 173 L CA 0.773 55.567 54.840 -0.076 0.000 0.852 173 L CB -0.035 41.984 42.059 -0.066 0.000 1.128 173 L HN 0.298 nan 8.230 nan 0.000 0.482 174 L N -0.211 120.921 121.223 -0.151 0.000 1.982 174 L HA 0.504 4.772 4.340 -0.119 0.000 0.206 174 L C 1.116 177.980 176.870 -0.009 0.000 1.078 174 L CA 1.823 56.546 54.840 -0.196 0.000 0.749 174 L CB -1.420 40.569 42.059 -0.117 0.000 0.894 174 L HN 0.361 nan 8.230 nan 0.000 0.436 175 G N -4.749 104.008 108.800 -0.071 0.000 2.342 175 G HA2 0.421 4.309 3.960 -0.119 0.000 0.297 175 G HA3 0.421 4.309 3.960 -0.119 0.000 0.297 175 G C -0.081 174.701 174.900 -0.197 0.000 1.313 175 G CA 0.342 45.344 45.100 -0.164 0.000 0.830 175 G HN 0.396 nan 8.290 nan 0.000 0.506 176 H N -0.612 118.482 119.070 0.041 0.000 2.544 176 H HA 0.166 4.651 4.556 -0.118 0.000 0.269 176 H C 1.465 176.809 175.328 0.026 0.000 0.970 176 H CA 1.521 57.586 56.048 0.029 0.000 1.219 176 H CB 0.526 30.301 29.762 0.022 0.000 1.421 176 H HN 0.652 nan 8.280 nan 0.000 0.555 177 T N -2.347 112.280 114.554 0.122 0.000 2.926 177 T HA 0.293 4.571 4.350 -0.119 0.000 0.289 177 T C 1.416 176.151 174.700 0.058 0.000 1.054 177 T CA -0.799 61.350 62.100 0.082 0.000 1.015 177 T CB 1.670 70.580 68.868 0.071 0.000 1.167 177 T HN -0.254 nan 8.240 nan 0.000 0.526 178 I N 1.020 121.619 120.570 0.048 0.000 2.163 178 I HA -0.161 3.937 4.170 -0.119 0.000 0.243 178 I C 2.701 178.840 176.117 0.036 0.000 1.085 178 I CA 1.611 62.936 61.300 0.041 0.000 1.347 178 I CB -1.886 36.136 38.000 0.038 0.000 1.044 178 I HN 0.809 nan 8.210 nan 0.000 0.408 179 T N 1.497 116.070 114.554 0.032 0.000 2.635 179 T HA -0.228 4.051 4.350 -0.119 0.000 0.267 179 T C 2.040 176.749 174.700 0.016 0.000 1.040 179 T CA 2.016 64.129 62.100 0.020 0.000 1.156 179 T CB -0.479 68.400 68.868 0.019 0.000 0.863 179 T HN 0.478 nan 8.240 nan 0.000 0.430 180 A N 1.020 123.855 122.820 0.026 0.000 1.883 180 A HA -0.068 4.181 4.320 -0.119 0.000 0.217 180 A C 2.335 179.958 177.584 0.064 0.000 1.186 180 A CA 1.505 53.555 52.037 0.023 0.000 0.624 180 A CB -0.858 18.160 19.000 0.030 0.000 0.822 180 A HN 0.562 nan 8.150 nan 0.000 0.444 181 I N -0.432 120.187 120.570 0.082 0.000 2.394 181 I HA -0.245 3.853 4.170 -0.119 0.000 0.251 181 I C 2.888 179.058 176.117 0.089 0.000 1.136 181 I CA 0.927 62.295 61.300 0.113 0.000 1.425 181 I CB -0.325 37.712 38.000 0.062 0.000 1.079 181 I HN 0.374 nan 8.210 nan 0.000 0.425 182 A N 0.834 123.679 122.820 0.042 0.000 1.969 182 A HA -0.188 4.061 4.320 -0.119 0.000 0.218 182 A C 2.290 179.872 177.584 -0.004 0.000 1.169 182 A CA 1.343 53.388 52.037 0.014 0.000 0.635 182 A CB -0.359 18.641 19.000 -0.000 0.000 0.810 182 A HN 0.295 nan 8.150 nan 0.000 0.445 183 K N -0.996 119.390 120.400 -0.023 0.000 2.103 183 K HA -0.165 4.084 4.320 -0.119 0.000 0.207 183 K C 1.995 178.543 176.600 -0.087 0.000 1.048 183 K CA 1.465 57.705 56.287 -0.079 0.000 0.930 183 K CB -0.320 32.103 32.500 -0.129 0.000 0.716 183 K HN 0.602 nan 8.250 nan 0.000 0.444 184 H N 0.949 120.001 119.070 -0.029 0.000 2.256 184 H HA -0.065 4.419 4.556 -0.120 0.000 0.299 184 H C 2.024 177.331 175.328 -0.036 0.000 1.071 184 H CA 1.552 57.584 56.048 -0.027 0.000 1.280 184 H CB 0.034 29.776 29.762 -0.032 0.000 1.370 184 H HN 0.108 nan 8.280 nan 0.000 0.490 185 K N 0.464 120.921 120.400 0.095 0.000 2.160 185 K HA -0.095 4.154 4.320 -0.119 0.000 0.206 185 K C 2.218 178.803 176.600 -0.025 0.000 1.047 185 K CA 0.990 57.281 56.287 0.007 0.000 0.930 185 K CB -0.041 32.452 32.500 -0.013 0.000 0.720 185 K HN 0.186 nan 8.250 nan 0.000 0.450 186 A N 0.871 123.672 122.820 -0.032 0.000 2.121 186 A HA -0.034 4.214 4.320 -0.119 0.000 0.218 186 A C 2.224 179.786 177.584 -0.038 0.000 1.154 186 A CA 1.422 53.423 52.037 -0.060 0.000 0.679 186 A CB -0.766 18.185 19.000 -0.081 0.000 0.795 186 A HN 0.422 nan 8.150 nan 0.000 0.458 187 G N 0.846 109.639 108.800 -0.012 0.000 2.498 187 G HA2 -0.125 3.764 3.960 -0.119 0.000 0.219 187 G HA3 -0.125 3.764 3.960 -0.119 0.000 0.219 187 G C 1.275 176.189 174.900 0.024 0.000 1.119 187 G CA 1.065 46.173 45.100 0.014 0.000 0.766 187 G HN 0.912 nan 8.290 nan 0.000 0.552 188 I N -1.815 118.750 120.570 -0.008 0.000 3.812 188 I HA 0.415 4.513 4.170 -0.119 0.000 0.320 188 I C 0.208 176.347 176.117 0.037 0.000 1.276 188 I CA -0.383 60.918 61.300 0.002 0.000 1.164 188 I CB 0.109 38.000 38.000 -0.182 0.000 1.009 188 I HN -0.135 nan 8.210 nan 0.000 0.431 189 I N 3.236 123.812 120.570 0.010 0.000 2.371 189 I HA 0.294 4.392 4.170 -0.119 0.000 0.290 189 I C -0.026 176.105 176.117 0.024 0.000 1.028 189 I CA -0.220 61.085 61.300 0.009 0.000 1.345 189 I CB 0.685 38.663 38.000 -0.035 0.000 1.407 189 I HN 0.097 nan 8.210 nan 0.000 0.501 190 K N 6.420 126.843 120.400 0.039 0.000 2.281 190 K HA 0.498 4.746 4.320 -0.119 0.000 0.242 190 K C -0.459 176.161 176.600 0.033 0.000 0.971 190 K CA -1.021 55.288 56.287 0.037 0.000 0.834 190 K CB 1.472 34.000 32.500 0.046 0.000 1.181 190 K HN 0.474 nan 8.250 nan 0.000 0.435 191 R N 0.323 120.839 120.500 0.027 0.000 2.488 191 R HA 0.032 4.301 4.340 -0.119 0.000 0.317 191 R C 0.963 177.282 176.300 0.032 0.000 0.941 191 R CA 1.178 57.294 56.100 0.027 0.000 1.076 191 R CB -0.550 29.763 30.300 0.022 0.000 0.917 191 R HN 0.999 nan 8.270 nan 0.000 0.407 192 G N 2.637 111.458 108.800 0.036 0.000 2.245 192 G HA2 -0.262 3.626 3.960 -0.119 0.000 0.264 192 G HA3 -0.262 3.626 3.960 -0.119 0.000 0.264 192 G C 0.278 175.206 174.900 0.047 0.000 0.985 192 G CA -0.162 44.962 45.100 0.039 0.000 0.625 192 G HN 0.501 nan 8.290 nan 0.000 0.536 193 I N 3.190 123.791 120.570 0.051 0.000 2.371 193 I HA 0.313 4.411 4.170 -0.119 0.000 0.290 193 I C -1.470 174.693 176.117 0.077 0.000 1.028 193 I CA -3.160 58.177 61.300 0.062 0.000 1.345 193 I CB 0.559 38.599 38.000 0.067 0.000 1.407 193 I HN -0.022 nan 8.210 nan 0.000 0.501 194 P HA 0.106 nan 4.420 nan 0.000 0.272 194 P C -0.589 176.788 177.300 0.128 0.000 1.223 194 P CA -0.077 63.093 63.100 0.117 0.000 0.784 194 P CB 1.915 33.683 31.700 0.114 0.000 0.923 195 V N 3.067 123.081 119.914 0.166 0.000 2.656 195 V HA 0.375 4.424 4.120 -0.119 0.000 0.307 195 V C -0.912 175.349 176.094 0.279 0.000 1.051 195 V CA -0.831 61.567 62.300 0.163 0.000 0.893 195 V CB 2.234 34.096 31.823 0.064 0.000 0.999 195 V HN 0.227 nan 8.190 nan 0.000 0.426 196 V N 6.310 126.371 119.914 0.245 0.000 2.409 196 V HA 0.702 4.751 4.120 -0.119 0.000 0.291 196 V C 0.246 176.538 176.094 0.331 0.000 1.020 196 V CA 0.075 62.564 62.300 0.315 0.000 0.848 196 V CB 1.822 33.755 31.823 0.183 0.000 0.990 196 V HN 1.092 nan 8.190 nan 0.000 0.430 197 T N 1.710 116.548 114.554 0.473 0.000 2.916 197 T HA 0.802 5.080 4.350 -0.119 0.000 0.292 197 T C 0.382 175.332 174.700 0.417 0.000 1.064 197 T CA -0.118 62.219 62.100 0.395 0.000 1.011 197 T CB 1.929 71.049 68.868 0.420 0.000 1.152 197 T HN 0.784 nan 8.240 nan 0.000 0.510 198 G N 0.130 109.103 108.800 0.287 0.000 2.489 198 G HA2 0.274 4.162 3.960 -0.119 0.000 0.271 198 G HA3 0.274 4.162 3.960 -0.119 0.000 0.271 198 G C -0.288 174.779 174.900 0.277 0.000 1.427 198 G CA -0.974 44.271 45.100 0.242 0.000 1.057 198 G HN 0.930 nan 8.290 nan 0.000 0.532 199 N N -0.225 118.637 118.700 0.270 0.000 2.719 199 N HA 0.253 4.922 4.740 -0.119 0.000 0.243 199 N C 0.260 175.869 175.510 0.166 0.000 1.104 199 N CA -0.396 52.778 53.050 0.207 0.000 0.981 199 N CB -0.262 38.338 38.487 0.189 0.000 1.290 199 N HN 0.274 nan 8.380 nan 0.000 0.513 200 L N 2.370 123.704 121.223 0.185 0.000 2.483 200 L HA 0.114 4.382 4.340 -0.119 0.000 0.276 200 L C 0.819 177.760 176.870 0.118 0.000 1.213 200 L CA -0.803 54.125 54.840 0.146 0.000 0.843 200 L CB 0.234 42.389 42.059 0.160 0.000 1.107 200 L HN 0.222 nan 8.230 nan 0.000 0.487 201 V N 0.697 120.664 119.914 0.088 0.000 2.963 201 V HA 0.082 4.131 4.120 -0.119 0.000 0.306 201 V C -1.132 175.006 176.094 0.073 0.000 1.077 201 V CA -1.031 61.311 62.300 0.070 0.000 1.124 201 V CB -0.010 31.846 31.823 0.054 0.000 0.987 201 V HN 0.714 nan 8.190 nan 0.000 0.487 202 P HA -0.237 nan 4.420 nan 0.000 0.219 202 P C 1.022 178.357 177.300 0.058 0.000 1.158 202 P CA 2.146 65.284 63.100 0.063 0.000 0.895 202 P CB 0.154 31.883 31.700 0.048 0.000 0.792 203 D N -0.456 119.972 120.400 0.047 0.000 2.144 203 D HA -0.073 4.495 4.640 -0.119 0.000 0.199 203 D C 2.113 178.433 176.300 0.033 0.000 0.984 203 D CA 1.586 55.609 54.000 0.037 0.000 0.834 203 D CB -0.534 40.286 40.800 0.033 0.000 0.955 203 D HN 0.179 nan 8.370 nan 0.000 0.465 204 A N 0.781 123.625 122.820 0.040 0.000 1.970 204 A HA 0.137 4.385 4.320 -0.119 0.000 0.216 204 A C 2.257 179.856 177.584 0.025 0.000 1.170 204 A CA 1.470 53.523 52.037 0.028 0.000 0.645 204 A CB -0.373 18.650 19.000 0.039 0.000 0.816 204 A HN 0.200 nan 8.150 nan 0.000 0.447 205 A N -0.103 122.764 122.820 0.078 0.000 2.015 205 A HA 0.221 4.469 4.320 -0.119 0.000 0.219 205 A C 2.361 180.003 177.584 0.096 0.000 1.163 205 A CA 1.780 53.904 52.037 0.145 0.000 0.646 205 A CB -0.687 18.447 19.000 0.223 0.000 0.806 205 A HN 0.916 nan 8.150 nan 0.000 0.448 206 A N -0.745 122.112 122.820 0.060 0.000 1.930 206 A HA 0.126 4.375 4.320 -0.119 0.000 0.215 206 A C 2.156 179.733 177.584 -0.012 0.000 1.176 206 A CA 1.394 53.456 52.037 0.042 0.000 0.632 206 A CB -0.653 18.370 19.000 0.039 0.000 0.819 206 A HN 0.306 nan 8.150 nan 0.000 0.445 207 V N -0.258 119.635 119.914 -0.034 0.000 2.343 207 V HA -0.210 3.838 4.120 -0.119 0.000 0.247 207 V C 2.571 178.585 176.094 -0.133 0.000 1.051 207 V CA 2.050 64.312 62.300 -0.064 0.000 1.036 207 V CB -0.547 31.244 31.823 -0.053 0.000 0.654 207 V HN 0.379 nan 8.190 nan 0.000 0.451 208 V N 0.152 119.931 119.914 -0.226 0.000 2.379 208 V HA -0.179 3.870 4.120 -0.119 0.000 0.245 208 V C 2.697 178.492 176.094 -0.499 0.000 1.044 208 V CA 1.691 63.724 62.300 -0.445 0.000 1.036 208 V CB -1.159 30.217 31.823 -0.744 0.000 0.664 208 V HN 0.535 nan 8.190 nan 0.000 0.453 209 A N 0.446 123.043 122.820 -0.373 0.000 1.892 209 A HA -0.228 4.021 4.320 -0.119 0.000 0.218 209 A C 2.414 179.982 177.584 -0.027 0.000 1.188 209 A CA 2.558 54.555 52.037 -0.066 0.000 0.631 209 A CB -0.914 18.189 19.000 0.172 0.000 0.822 209 A HN 0.595 nan 8.150 nan 0.000 0.447 210 A N -0.696 122.101 122.820 -0.039 0.000 1.969 210 A HA -0.078 4.171 4.320 -0.119 0.000 0.218 210 A C 2.048 179.607 177.584 -0.040 0.000 1.169 210 A CA 2.255 54.280 52.037 -0.020 0.000 0.635 210 A CB -0.352 18.638 19.000 -0.016 0.000 0.810 210 A HN 0.485 nan 8.150 nan 0.000 0.445 211 K N 0.476 120.825 120.400 -0.085 0.000 2.025 211 K HA -0.114 4.135 4.320 -0.119 0.000 0.207 211 K C 1.842 178.403 176.600 -0.065 0.000 1.049 211 K CA 2.084 58.321 56.287 -0.083 0.000 0.933 211 K CB -0.828 31.600 32.500 -0.121 0.000 0.714 211 K HN 0.443 nan 8.250 nan 0.000 0.438 212 V N -1.089 118.770 119.914 -0.092 0.000 2.407 212 V HA -0.075 3.973 4.120 -0.119 0.000 0.248 212 V C 2.216 178.325 176.094 0.025 0.000 1.055 212 V CA 1.817 64.100 62.300 -0.029 0.000 1.049 212 V CB -1.460 30.359 31.823 -0.007 0.000 0.662 212 V HN 0.283 nan 8.190 nan 0.000 0.455 213 A N 0.402 123.240 122.820 0.030 0.000 2.076 213 A HA -0.132 4.117 4.320 -0.119 0.000 0.220 213 A C 2.272 179.872 177.584 0.027 0.000 1.160 213 A CA 2.426 54.489 52.037 0.043 0.000 0.653 213 A CB -1.048 17.977 19.000 0.043 0.000 0.801 213 A HN 0.606 nan 8.150 nan 0.000 0.455 214 T N -0.765 113.797 114.554 0.013 0.000 2.976 214 T HA -0.035 4.243 4.350 -0.119 0.000 0.257 214 T C 1.977 176.684 174.700 0.013 0.000 1.051 214 T CA 1.676 63.781 62.100 0.009 0.000 1.141 214 T CB -0.188 68.680 68.868 -0.001 0.000 0.881 214 T HN 0.763 nan 8.240 nan 0.000 0.461 215 T N -1.020 113.541 114.554 0.013 0.000 3.060 215 T HA 0.376 4.654 4.350 -0.119 0.000 0.249 215 T C 1.733 176.451 174.700 0.030 0.000 1.079 215 T CA 0.591 62.702 62.100 0.019 0.000 1.013 215 T CB -0.147 68.730 68.868 0.015 0.000 0.975 215 T HN 0.433 nan 8.240 nan 0.000 0.518 216 G N 1.439 110.261 108.800 0.037 0.000 2.283 216 G HA2 -0.256 3.633 3.960 -0.119 0.000 0.280 216 G HA3 -0.256 3.633 3.960 -0.119 0.000 0.280 216 G C 0.074 175.011 174.900 0.062 0.000 1.029 216 G CA 0.274 45.404 45.100 0.049 0.000 0.840 216 G HN 0.697 nan 8.290 nan 0.000 0.505 217 S N -0.475 115.266 115.700 0.068 0.000 2.584 217 S HA 0.421 4.820 4.470 -0.119 0.000 0.273 217 S C 0.481 175.163 174.600 0.136 0.000 1.311 217 S CA -0.352 57.900 58.200 0.087 0.000 1.034 217 S CB 1.599 64.842 63.200 0.071 0.000 0.939 217 S HN 0.643 nan 8.310 nan 0.000 0.513 218 Q N 1.607 121.492 119.800 0.142 0.000 2.314 218 Q HA 0.146 4.414 4.340 -0.119 0.000 0.258 218 Q C -1.455 174.714 176.000 0.283 0.000 0.954 218 Q CA -0.267 55.641 55.803 0.176 0.000 0.890 218 Q CB 0.508 29.325 28.738 0.131 0.000 1.210 218 Q HN 0.710 nan 8.270 nan 0.000 0.410 219 W N 6.839 128.183 121.300 0.074 0.000 2.475 219 W HA 0.433 5.021 4.660 -0.120 0.000 0.320 219 W C -2.244 174.347 176.519 0.120 0.000 1.022 219 W CA -1.134 56.266 57.345 0.091 0.000 1.240 219 W CB 0.496 30.002 29.460 0.076 0.000 1.328 219 W HN 0.581 nan 8.180 nan 0.000 0.439 220 L N 7.896 129.316 121.223 0.328 0.000 2.276 220 L HA 0.498 4.766 4.340 -0.119 0.000 0.286 220 L C 0.373 177.434 176.870 0.318 0.000 1.024 220 L CA -0.956 54.013 54.840 0.214 0.000 0.826 220 L CB 1.084 43.329 42.059 0.311 0.000 1.211 220 L HN 0.457 nan 8.230 nan 0.000 0.422 221 R N 3.029 123.508 120.500 -0.034 0.000 2.540 221 R HA 0.444 4.712 4.340 -0.119 0.000 0.287 221 R C -0.668 175.491 176.300 -0.236 0.000 0.980 221 R CA -0.533 55.582 56.100 0.024 0.000 0.966 221 R CB 1.228 31.386 30.300 -0.237 0.000 1.106 221 R HN 0.295 nan 8.270 nan 0.000 0.480 222 F N 3.776 123.463 119.950 -0.438 0.000 2.529 222 F HA 0.114 4.569 4.527 -0.119 0.000 0.365 222 F C 0.097 175.570 175.800 -0.546 0.000 1.102 222 F CA 0.840 58.286 58.000 -0.923 0.000 1.271 222 F CB 0.315 39.096 39.000 -0.364 0.000 1.120 222 F HN 0.930 nan 8.300 nan 0.000 0.579 223 D N 2.817 122.456 120.400 -1.269 0.000 3.068 223 D HA -0.238 4.330 4.640 -0.119 0.000 0.218 223 D C 0.944 176.953 176.300 -0.486 0.000 1.145 223 D CA 1.185 54.690 54.000 -0.826 0.000 0.896 223 D CB -0.715 39.716 40.800 -0.615 0.000 1.105 223 D HN 0.856 nan 8.370 nan 0.000 0.423 224 R N -0.569 119.651 120.500 -0.467 0.000 4.126 224 R HA 0.058 4.326 4.340 -0.119 0.000 0.128 224 R C 0.676 176.833 176.300 -0.238 0.000 0.687 224 R CA 0.181 56.095 56.100 -0.310 0.000 1.049 224 R CB 0.491 30.605 30.300 -0.310 0.000 1.559 224 R HN -0.113 nan 8.270 nan 0.000 0.455 225 D N 0.229 120.512 120.400 -0.196 0.000 2.366 225 D HA 0.113 4.682 4.640 -0.119 0.000 0.205 225 D C -0.035 176.334 176.300 0.114 0.000 1.022 225 D CA 0.610 54.606 54.000 -0.006 0.000 0.868 225 D CB 0.763 41.630 40.800 0.111 0.000 0.953 225 D HN 0.115 nan 8.370 nan 0.000 0.514 226 F N 0.010 119.890 119.950 -0.117 0.000 2.693 226 F HA 0.546 5.003 4.527 -0.117 0.000 0.309 226 F C -0.905 174.750 175.800 -0.240 0.000 1.129 226 F CA -1.110 56.788 58.000 -0.170 0.000 0.948 226 F CB 1.309 40.295 39.000 -0.023 0.000 1.315 226 F HN -0.187 nan 8.300 nan 0.000 0.447 227 S N 0.303 115.858 115.700 -0.242 0.000 2.661 227 S HA 0.741 5.140 4.470 -0.119 0.000 0.268 227 S C -2.155 172.444 174.600 -0.001 0.000 1.162 227 S CA -0.770 57.216 58.200 -0.357 0.000 0.817 227 S CB 1.496 64.398 63.200 -0.497 0.000 1.141 227 S HN 1.078 nan 8.310 nan 0.000 0.477 228 V N 2.494 122.458 119.914 0.083 0.000 2.276 228 V HA 0.368 4.417 4.120 -0.119 0.000 0.268 228 V C -1.864 174.298 176.094 0.112 0.000 1.032 228 V CA -1.358 61.081 62.300 0.231 0.000 0.810 228 V CB 0.384 32.408 31.823 0.337 0.000 1.060 228 V HN 0.793 nan 8.190 nan 0.000 0.446 229 P HA -0.067 nan 4.420 nan 0.000 0.215 229 P C 0.210 177.542 177.300 0.054 0.000 1.153 229 P CA 1.313 64.427 63.100 0.025 0.000 0.853 229 P CB 0.286 31.990 31.700 0.006 0.000 0.788 230 K N -0.796 119.663 120.400 0.099 0.000 2.426 230 K HA 0.766 5.014 4.320 -0.119 0.000 0.251 230 K C -1.158 175.541 176.600 0.164 0.000 0.941 230 K CA -0.881 55.465 56.287 0.098 0.000 0.808 230 K CB 2.982 35.523 32.500 0.069 0.000 1.265 230 K HN -0.141 nan 8.250 nan 0.000 0.432 231 A N 2.261 125.159 122.820 0.129 0.000 2.577 231 A HA 0.622 4.871 4.320 -0.119 0.000 0.297 231 A C -1.727 175.909 177.584 0.087 0.000 1.060 231 A CA -0.905 51.225 52.037 0.155 0.000 0.697 231 A CB 1.444 20.519 19.000 0.125 0.000 1.281 231 A HN 0.801 nan 8.150 nan 0.000 0.402 232 K N 1.311 121.765 120.400 0.090 0.000 2.658 232 K HA 0.642 4.891 4.320 -0.119 0.000 0.293 232 K C -1.605 175.026 176.600 0.051 0.000 1.026 232 K CA -1.003 55.311 56.287 0.045 0.000 0.871 232 K CB 0.722 33.238 32.500 0.026 0.000 1.524 232 K HN 0.504 nan 8.250 nan 0.000 0.400 233 L N 1.877 123.110 121.223 0.016 0.000 2.453 233 L HA 0.204 4.472 4.340 -0.119 0.000 0.272 233 L C -0.122 176.800 176.870 0.086 0.000 1.182 233 L CA 0.070 54.917 54.840 0.013 0.000 0.858 233 L CB 0.232 42.263 42.059 -0.046 0.000 1.120 233 L HN 0.683 nan 8.230 nan 0.000 0.474 234 H N 3.109 122.171 119.070 -0.015 0.000 2.974 234 H HA 0.353 4.838 4.556 -0.119 0.000 0.285 234 H C 0.437 175.778 175.328 0.022 0.000 1.227 234 H CA 0.072 56.126 56.048 0.009 0.000 1.569 234 H CB 0.688 30.465 29.762 0.025 0.000 1.648 234 H HN 0.805 nan 8.280 nan 0.000 0.521 235 G N 3.250 112.174 108.800 0.207 0.000 2.550 235 G HA2 -0.368 3.520 3.960 -0.119 0.000 0.277 235 G HA3 -0.368 3.520 3.960 -0.119 0.000 0.277 235 G C 0.011 174.971 174.900 0.101 0.000 1.190 235 G CA 0.147 45.330 45.100 0.138 0.000 0.971 235 G HN 0.640 nan 8.290 nan 0.000 0.559 236 W N 3.702 124.981 121.300 -0.034 0.000 2.237 236 W HA 0.529 5.117 4.660 -0.120 0.000 0.420 236 W C 0.630 177.134 176.519 -0.025 0.000 0.635 236 W CA 0.590 57.912 57.345 -0.037 0.000 2.255 236 W CB -0.781 28.662 29.460 -0.028 0.000 1.432 236 W HN 1.118 nan 8.180 nan 0.000 0.643 237 G N 0.949 109.743 108.800 -0.011 0.000 2.494 237 G HA2 0.368 4.257 3.960 -0.119 0.000 0.308 237 G HA3 0.368 4.257 3.960 -0.119 0.000 0.308 237 G C -1.673 173.229 174.900 0.003 0.000 1.263 237 G CA -0.714 44.384 45.100 -0.003 0.000 0.840 237 G HN 0.090 nan 8.290 nan 0.000 0.479 238 Q N -0.625 119.209 119.800 0.058 0.000 2.423 238 Q HA 0.662 4.930 4.340 -0.119 0.000 0.278 238 Q C -0.943 175.201 176.000 0.241 0.000 1.097 238 Q CA -0.966 54.909 55.803 0.119 0.000 0.809 238 Q CB 3.198 31.973 28.738 0.062 0.000 1.391 238 Q HN 0.421 nan 8.270 nan 0.000 0.428 239 R N 2.023 122.676 120.500 0.256 0.000 2.393 239 R HA 0.564 4.833 4.340 -0.119 0.000 0.315 239 R C -1.613 174.848 176.300 0.270 0.000 0.952 239 R CA -0.235 56.006 56.100 0.234 0.000 0.842 239 R CB 0.712 31.128 30.300 0.193 0.000 1.163 239 R HN 0.689 nan 8.270 nan 0.000 0.450 240 F N -0.678 119.308 119.950 0.060 0.000 2.664 240 F HA 0.578 5.033 4.527 -0.121 0.000 0.317 240 F C -1.231 174.620 175.800 0.086 0.000 1.108 240 F CA -0.903 57.137 58.000 0.066 0.000 0.957 240 F CB 1.840 40.884 39.000 0.074 0.000 1.365 240 F HN 0.092 nan 8.300 nan 0.000 0.475 241 T N 1.586 116.246 114.554 0.177 0.000 2.797 241 T HA 0.315 4.593 4.350 -0.119 0.000 0.279 241 T C -1.790 173.082 174.700 0.287 0.000 0.991 241 T CA -0.327 61.827 62.100 0.091 0.000 0.979 241 T CB 0.832 69.745 68.868 0.075 0.000 0.943 241 T HN 0.635 nan 8.240 nan 0.000 0.444 242 Y N 2.481 122.844 120.300 0.106 0.000 2.342 242 Y HA 0.566 5.045 4.550 -0.117 0.000 0.334 242 Y C 0.064 176.050 175.900 0.144 0.000 1.067 242 Y CA -0.789 57.440 58.100 0.215 0.000 1.128 242 Y CB 0.931 39.513 38.460 0.203 0.000 1.200 242 Y HN 0.641 nan 8.280 nan 0.000 0.464 243 E N 4.865 124.753 120.200 -0.521 0.000 2.275 243 E HA 0.349 4.627 4.350 -0.119 0.000 0.270 243 E C -1.883 174.407 176.600 -0.518 0.000 0.882 243 E CA -0.708 55.460 56.400 -0.387 0.000 0.758 243 E CB 1.437 31.038 29.700 -0.165 0.000 1.195 243 E HN 0.835 nan 8.360 nan 0.000 0.419 244 D N 1.646 121.878 120.400 -0.279 0.000 2.921 244 D HA 0.030 4.598 4.640 -0.119 0.000 0.329 244 D C 0.771 177.066 176.300 -0.007 0.000 1.293 244 D CA -0.465 53.483 54.000 -0.086 0.000 0.964 244 D CB 0.289 41.117 40.800 0.046 0.000 1.435 244 D HN 0.357 nan 8.370 nan 0.000 0.548 245 Q N -0.703 119.121 119.800 0.040 0.000 2.096 245 Q HA -0.184 4.084 4.340 -0.119 0.000 0.208 245 Q C 0.719 176.738 176.000 0.031 0.000 0.993 245 Q CA 2.185 58.006 55.803 0.030 0.000 0.862 245 Q CB -0.213 28.551 28.738 0.044 0.000 0.915 245 Q HN 0.471 nan 8.270 nan 0.000 0.416 246 D N -1.056 119.377 120.400 0.055 0.000 2.264 246 D HA 0.013 4.582 4.640 -0.119 0.000 0.208 246 D C 1.002 177.329 176.300 0.045 0.000 0.966 246 D CA 1.214 55.246 54.000 0.054 0.000 0.864 246 D CB 0.379 41.225 40.800 0.075 0.000 0.933 246 D HN 0.415 nan 8.370 nan 0.000 0.499 247 G N -0.499 108.325 108.800 0.040 0.000 2.250 247 G HA2 -0.052 3.836 3.960 -0.119 0.000 0.252 247 G HA3 -0.052 3.836 3.960 -0.119 0.000 0.252 247 G C -1.154 173.767 174.900 0.035 0.000 1.325 247 G CA -0.989 44.126 45.100 0.026 0.000 1.091 247 G HN 0.081 nan 8.290 nan 0.000 0.476 248 R N -0.580 119.944 120.500 0.041 0.000 2.532 248 R HA 0.700 4.968 4.340 -0.119 0.000 0.295 248 R C -0.608 175.744 176.300 0.087 0.000 0.968 248 R CA -0.706 55.428 56.100 0.058 0.000 0.916 248 R CB 1.632 31.947 30.300 0.025 0.000 1.124 248 R HN 0.387 nan 8.270 nan 0.000 0.463 249 I N 2.493 123.141 120.570 0.130 0.000 2.537 249 I HA 0.115 4.214 4.170 -0.119 0.000 0.276 249 I C 0.059 176.192 176.117 0.026 0.000 1.063 249 I CA -0.411 60.938 61.300 0.082 0.000 1.144 249 I CB 1.439 39.505 38.000 0.109 0.000 1.252 249 I HN 0.636 nan 8.210 nan 0.000 0.480 250 S N 2.088 117.785 115.700 -0.005 0.000 2.617 250 S HA 0.322 4.720 4.470 -0.119 0.000 0.269 250 S C 0.129 174.680 174.600 -0.081 0.000 1.292 250 S CA -0.462 57.718 58.200 -0.034 0.000 1.010 250 S CB 1.146 64.338 63.200 -0.013 0.000 0.944 250 S HN 0.656 nan 8.310 nan 0.000 0.536 251 D N -0.118 120.224 120.400 -0.097 0.000 2.697 251 D HA -0.120 4.449 4.640 -0.119 0.000 0.238 251 D C -0.763 175.438 176.300 -0.164 0.000 1.152 251 D CA 0.703 54.643 54.000 -0.100 0.000 0.666 251 D CB -1.486 39.288 40.800 -0.043 0.000 1.037 251 D HN 0.561 nan 8.370 nan 0.000 0.423 252 L N 0.273 121.276 121.223 -0.367 0.000 2.399 252 L HA 0.453 4.721 4.340 -0.119 0.000 0.266 252 L C 0.933 177.612 176.870 -0.318 0.000 1.114 252 L CA -0.092 54.495 54.840 -0.421 0.000 0.804 252 L CB 0.962 42.591 42.059 -0.716 0.000 1.146 252 L HN 0.030 nan 8.230 nan 0.000 0.451 253 E N 1.169 121.289 120.200 -0.132 0.000 2.256 253 E HA 0.506 4.784 4.350 -0.119 0.000 0.268 253 E C -1.506 175.109 176.600 0.026 0.000 0.877 253 E CA -0.491 55.907 56.400 -0.003 0.000 0.757 253 E CB 3.097 32.787 29.700 -0.017 0.000 1.183 253 E HN 0.236 nan 8.360 nan 0.000 0.418 254 V N 3.976 123.952 119.914 0.103 0.000 2.735 254 V HA 0.478 4.527 4.120 -0.119 0.000 0.310 254 V C -2.337 173.756 176.094 -0.001 0.000 1.061 254 V CA -2.406 59.918 62.300 0.040 0.000 0.913 254 V CB 2.226 34.118 31.823 0.115 0.000 1.005 254 V HN 0.572 nan 8.190 nan 0.000 0.428 255 P HA 0.205 nan 4.420 nan 0.000 0.235 255 P C -0.486 176.861 177.300 0.079 0.000 1.725 255 P CA 0.148 63.253 63.100 0.008 0.000 0.894 255 P CB -0.127 31.528 31.700 -0.076 0.000 1.704 256 L N 0.226 121.471 121.223 0.036 0.000 2.346 256 L HA 0.464 4.732 4.340 -0.119 0.000 0.276 256 L C -0.350 176.490 176.870 -0.049 0.000 1.006 256 L CA -1.033 53.827 54.840 0.033 0.000 0.817 256 L CB 2.655 44.710 42.059 -0.008 0.000 1.272 256 L HN -0.242 nan 8.230 nan 0.000 0.421 257 V N 1.938 121.808 119.914 -0.074 0.000 2.667 257 V HA 0.891 4.939 4.120 -0.119 0.000 0.308 257 V C 0.096 176.060 176.094 -0.217 0.000 1.048 257 V CA -0.290 61.900 62.300 -0.184 0.000 0.928 257 V CB 1.593 33.234 31.823 -0.302 0.000 1.004 257 V HN 0.953 nan 8.190 nan 0.000 0.444 258 G N 3.220 111.857 108.800 -0.272 0.000 3.306 258 G HA2 -0.065 3.823 3.960 -0.119 0.000 0.672 258 G HA3 -0.065 3.823 3.960 -0.119 0.000 0.672 258 G C 0.103 174.659 174.900 -0.573 0.000 1.212 258 G CA -0.065 44.780 45.100 -0.424 0.000 1.150 258 G HN 0.894 nan 8.290 nan 0.000 0.509 259 D N 1.299 121.544 120.400 -0.257 0.000 2.271 259 D HA -0.235 4.333 4.640 -0.119 0.000 0.207 259 D C 1.721 177.915 176.300 -0.178 0.000 0.983 259 D CA 2.026 55.924 54.000 -0.169 0.000 0.878 259 D CB -0.236 40.546 40.800 -0.030 0.000 0.920 259 D HN 0.868 nan 8.370 nan 0.000 0.479 260 Y N -0.197 120.081 120.300 -0.038 0.000 2.457 260 Y HA 0.112 4.590 4.550 -0.120 0.000 0.292 260 Y C 2.228 178.075 175.900 -0.088 0.000 1.125 260 Y CA 0.256 58.327 58.100 -0.048 0.000 1.254 260 Y CB -0.612 37.840 38.460 -0.013 0.000 1.012 260 Y HN -0.178 nan 8.280 nan 0.000 0.555 261 Q N 1.303 120.681 119.800 -0.702 0.000 2.364 261 Q HA -0.163 4.106 4.340 -0.119 0.000 0.207 261 Q C 1.858 177.651 176.000 -0.346 0.000 0.970 261 Q CA 1.351 56.899 55.803 -0.426 0.000 0.888 261 Q CB -0.277 28.186 28.738 -0.459 0.000 0.951 261 Q HN 0.767 nan 8.270 nan 0.000 0.469 262 Q N 0.287 119.863 119.800 -0.374 0.000 2.084 262 Q HA -0.177 4.091 4.340 -0.119 0.000 0.202 262 Q C 2.104 177.893 176.000 -0.351 0.000 0.978 262 Q CA 1.635 57.175 55.803 -0.440 0.000 0.844 262 Q CB -0.278 28.279 28.738 -0.301 0.000 0.898 262 Q HN 0.423 nan 8.270 nan 0.000 0.426 263 R N 0.494 120.767 120.500 -0.378 0.000 2.115 263 R HA -0.062 4.207 4.340 -0.119 0.000 0.230 263 R C 1.333 177.396 176.300 -0.395 0.000 1.111 263 R CA 1.789 57.451 56.100 -0.731 0.000 0.976 263 R CB -0.337 29.483 30.300 -0.800 0.000 0.870 263 R HN 0.230 nan 8.270 nan 0.000 0.445 264 N N 0.016 118.584 118.700 -0.219 0.000 2.188 264 N HA -0.055 4.613 4.740 -0.119 0.000 0.184 264 N C 1.669 177.117 175.510 -0.103 0.000 1.018 264 N CA 1.421 54.398 53.050 -0.122 0.000 0.858 264 N CB 0.010 38.444 38.487 -0.087 0.000 0.989 264 N HN 0.144 nan 8.380 nan 0.000 0.426 265 M N 0.609 120.128 119.600 -0.135 0.000 2.156 265 M HA 0.047 4.455 4.480 -0.119 0.000 0.264 265 M C 2.327 178.651 176.300 0.039 0.000 1.067 265 M CA 0.901 56.160 55.300 -0.069 0.000 1.131 265 M CB -1.279 31.244 32.600 -0.128 0.000 1.368 265 M HN 0.159 nan 8.290 nan 0.000 0.416 266 A N 0.631 123.527 122.820 0.128 0.000 1.908 266 A HA -0.140 4.108 4.320 -0.119 0.000 0.218 266 A C 2.283 180.038 177.584 0.286 0.000 1.181 266 A CA 1.455 53.776 52.037 0.473 0.000 0.627 266 A CB -0.897 18.583 19.000 0.801 0.000 0.818 266 A HN 0.454 nan 8.150 nan 0.000 0.445 267 I N -0.385 120.298 120.570 0.189 0.000 2.226 267 I HA -0.276 3.823 4.170 -0.119 0.000 0.245 267 I C 2.986 179.070 176.117 -0.055 0.000 1.100 267 I CA 1.006 62.351 61.300 0.076 0.000 1.374 267 I CB -0.363 37.700 38.000 0.105 0.000 1.057 267 I HN 0.369 nan 8.210 nan 0.000 0.413 268 A N 1.174 123.966 122.820 -0.047 0.000 1.877 268 A HA -0.185 4.063 4.320 -0.119 0.000 0.216 268 A C 2.305 179.822 177.584 -0.111 0.000 1.186 268 A CA 1.552 53.547 52.037 -0.069 0.000 0.620 268 A CB -0.843 18.120 19.000 -0.061 0.000 0.822 268 A HN 0.346 nan 8.150 nan 0.000 0.443 269 I N -0.817 119.654 120.570 -0.165 0.000 2.099 269 I HA -0.323 3.775 4.170 -0.119 0.000 0.239 269 I C 2.830 178.766 176.117 -0.302 0.000 1.066 269 I CA 2.017 63.131 61.300 -0.311 0.000 1.324 269 I CB -0.410 37.191 38.000 -0.664 0.000 1.037 269 I HN 0.452 nan 8.210 nan 0.000 0.401 270 Q N 0.857 120.460 119.800 -0.328 0.000 2.061 270 Q HA -0.207 4.062 4.340 -0.119 0.000 0.204 270 Q C 2.083 177.984 176.000 -0.165 0.000 0.984 270 Q CA 2.766 58.392 55.803 -0.294 0.000 0.846 270 Q CB -0.627 27.577 28.738 -0.890 0.000 0.902 270 Q HN 0.401 nan 8.270 nan 0.000 0.421 271 T N 0.340 114.811 114.554 -0.139 0.000 2.720 271 T HA -0.152 4.127 4.350 -0.119 0.000 0.268 271 T C 1.700 176.412 174.700 0.020 0.000 1.037 271 T CA 1.559 63.641 62.100 -0.029 0.000 1.144 271 T CB -0.669 68.190 68.868 -0.013 0.000 0.864 271 T HN 0.503 nan 8.240 nan 0.000 0.444 272 A N 1.508 124.320 122.820 -0.013 0.000 1.933 272 A HA -0.099 4.150 4.320 -0.119 0.000 0.218 272 A C 2.240 179.884 177.584 0.100 0.000 1.175 272 A CA 1.452 53.509 52.037 0.034 0.000 0.628 272 A CB -0.383 18.608 19.000 -0.014 0.000 0.814 272 A HN 0.451 nan 8.150 nan 0.000 0.444 273 K N -0.499 119.923 120.400 0.038 0.000 2.148 273 K HA -0.025 4.224 4.320 -0.119 0.000 0.204 273 K C 1.768 178.419 176.600 0.085 0.000 1.050 273 K CA 1.209 57.532 56.287 0.060 0.000 0.942 273 K CB -0.219 32.300 32.500 0.031 0.000 0.724 273 K HN 0.317 nan 8.250 nan 0.000 0.446 274 V N 0.508 120.471 119.914 0.081 0.000 2.453 274 V HA -0.235 3.814 4.120 -0.119 0.000 0.247 274 V C 1.945 178.100 176.094 0.100 0.000 1.048 274 V CA 1.434 63.785 62.300 0.084 0.000 1.049 274 V CB -0.461 31.412 31.823 0.083 0.000 0.672 274 V HN 0.283 nan 8.190 nan 0.000 0.457 275 Y N 1.434 121.751 120.300 0.028 0.000 2.163 275 Y HA -0.169 4.304 4.550 -0.130 0.000 0.288 275 Y C 2.390 178.326 175.900 0.060 0.000 1.136 275 Y CA 1.605 59.720 58.100 0.024 0.000 1.147 275 Y CB -0.489 37.967 38.460 -0.008 0.000 0.987 275 Y HN 0.146 nan 8.280 nan 0.000 0.509 276 A N 0.833 123.784 122.820 0.219 0.000 1.865 276 A HA -0.266 3.983 4.320 -0.119 0.000 0.217 276 A C 2.336 179.962 177.584 0.070 0.000 1.191 276 A CA 2.203 54.380 52.037 0.232 0.000 0.623 276 A CB -0.898 18.270 19.000 0.281 0.000 0.826 276 A HN 0.549 nan 8.150 nan 0.000 0.444 277 K N -1.139 119.285 120.400 0.040 0.000 2.002 277 K HA -0.193 4.055 4.320 -0.119 0.000 0.209 277 K C 2.131 178.713 176.600 -0.030 0.000 1.048 277 K CA 1.504 57.797 56.287 0.011 0.000 0.930 277 K CB -0.220 32.294 32.500 0.023 0.000 0.714 277 K HN 0.374 nan 8.250 nan 0.000 0.438 278 Q N -0.042 119.720 119.800 -0.064 0.000 2.234 278 Q HA -0.107 4.161 4.340 -0.119 0.000 0.206 278 Q C 1.519 177.430 176.000 -0.149 0.000 0.980 278 Q CA 1.859 57.606 55.803 -0.094 0.000 0.869 278 Q CB -0.108 28.572 28.738 -0.096 0.000 0.912 278 Q HN 0.571 nan 8.270 nan 0.000 0.436 279 T N -2.821 111.597 114.554 -0.227 0.000 3.174 279 T HA 0.147 4.426 4.350 -0.119 0.000 0.269 279 T C -0.049 174.624 174.700 -0.044 0.000 1.017 279 T CA -0.339 61.633 62.100 -0.212 0.000 0.899 279 T CB 0.370 68.958 68.868 -0.467 0.000 1.077 279 T HN 0.003 nan 8.240 nan 0.000 0.552 280 E N 1.160 121.351 120.200 -0.014 0.000 2.165 280 E HA -0.178 4.101 4.350 -0.119 0.000 0.203 280 E C -0.603 176.056 176.600 0.098 0.000 1.335 280 E CA 0.601 57.016 56.400 0.025 0.000 0.708 280 E CB -1.381 28.324 29.700 0.007 0.000 1.105 280 E HN 0.817 nan 8.360 nan 0.000 0.346 281 W N 2.043 123.300 121.300 -0.072 0.000 2.573 281 W HA 0.392 4.997 4.660 -0.092 0.000 0.326 281 W C -2.689 173.827 176.519 -0.006 0.000 1.049 281 W CA -2.131 55.197 57.345 -0.030 0.000 1.220 281 W CB 1.559 31.016 29.460 -0.005 0.000 1.373 281 W HN -0.123 nan 8.180 nan 0.000 0.507 282 P HA 0.246 nan 4.420 nan 0.000 0.287 282 P C -1.421 175.614 177.300 -0.441 0.000 1.281 282 P CA -0.273 62.525 63.100 -0.504 0.000 0.781 282 P CB 2.078 33.488 31.700 -0.483 0.000 0.903 283 L N 3.990 125.138 121.223 -0.124 0.000 2.404 283 L HA 0.478 4.746 4.340 -0.119 0.000 0.272 283 L C 0.018 176.878 176.870 -0.017 0.000 0.980 283 L CA -0.035 54.808 54.840 0.005 0.000 0.836 283 L CB 1.866 44.001 42.059 0.126 0.000 1.238 283 L HN 0.497 nan 8.230 nan 0.000 0.408 284 T N 1.392 115.932 114.554 -0.023 0.000 2.936 284 T HA 0.587 4.865 4.350 -0.119 0.000 0.282 284 T C -2.157 172.533 174.700 -0.015 0.000 1.003 284 T CA -1.875 60.211 62.100 -0.024 0.000 1.005 284 T CB 1.510 70.357 68.868 -0.035 0.000 1.097 284 T HN 0.424 nan 8.240 nan 0.000 0.532 285 P HA -0.014 nan 4.420 nan 0.000 0.223 285 P C 1.747 179.031 177.300 -0.027 0.000 1.151 285 P CA 0.594 63.682 63.100 -0.021 0.000 0.787 285 P CB 0.120 31.813 31.700 -0.011 0.000 0.788 286 Q N -0.582 119.205 119.800 -0.022 0.000 2.123 286 Q HA -0.089 4.179 4.340 -0.119 0.000 0.199 286 Q C 1.867 177.857 176.000 -0.015 0.000 0.966 286 Q CA 1.343 57.133 55.803 -0.021 0.000 0.845 286 Q CB -0.806 27.922 28.738 -0.018 0.000 0.907 286 Q HN 0.447 nan 8.270 nan 0.000 0.439 287 N N 0.060 118.756 118.700 -0.006 0.000 2.058 287 N HA -0.123 4.545 4.740 -0.119 0.000 0.191 287 N C 2.006 177.517 175.510 0.002 0.000 1.037 287 N CA 1.030 54.088 53.050 0.013 0.000 0.848 287 N CB -0.104 38.405 38.487 0.037 0.000 1.021 287 N HN 0.153 nan 8.380 nan 0.000 0.422 288 I N 0.970 121.531 120.570 -0.016 0.000 2.163 288 I HA -0.284 3.815 4.170 -0.119 0.000 0.243 288 I C 2.670 178.757 176.117 -0.050 0.000 1.085 288 I CA 1.038 62.313 61.300 -0.041 0.000 1.347 288 I CB -0.242 37.712 38.000 -0.077 0.000 1.044 288 I HN 0.160 nan 8.210 nan 0.000 0.408 289 R N 0.644 121.111 120.500 -0.054 0.000 2.083 289 R HA -0.245 4.023 4.340 -0.119 0.000 0.237 289 R C 2.378 178.645 176.300 -0.055 0.000 1.137 289 R CA 1.870 57.932 56.100 -0.064 0.000 0.951 289 R CB -0.240 30.026 30.300 -0.057 0.000 0.851 289 R HN 0.404 nan 8.270 nan 0.000 0.434 290 Q N -0.890 118.887 119.800 -0.038 0.000 2.172 290 Q HA -0.068 4.201 4.340 -0.119 0.000 0.200 290 Q C 1.828 177.799 176.000 -0.048 0.000 0.964 290 Q CA 1.341 57.122 55.803 -0.037 0.000 0.855 290 Q CB -0.002 28.726 28.738 -0.017 0.000 0.918 290 Q HN 0.538 nan 8.270 nan 0.000 0.444 291 G N 0.824 109.605 108.800 -0.031 0.000 2.422 291 G HA2 -0.196 3.693 3.960 -0.119 0.000 0.218 291 G HA3 -0.196 3.693 3.960 -0.119 0.000 0.218 291 G C 1.336 176.184 174.900 -0.088 0.000 1.140 291 G CA 0.397 45.484 45.100 -0.021 0.000 0.775 291 G HN 0.274 nan 8.290 nan 0.000 0.545 292 L N 0.427 121.601 121.223 -0.081 0.000 2.179 292 L HA 0.117 4.385 4.340 -0.119 0.000 0.208 292 L C 3.190 179.964 176.870 -0.161 0.000 1.096 292 L CA 0.668 55.450 54.840 -0.096 0.000 0.779 292 L CB -0.273 41.774 42.059 -0.021 0.000 0.922 292 L HN 0.274 nan 8.230 nan 0.000 0.443 293 A N -0.021 122.715 122.820 -0.140 0.000 2.225 293 A HA 0.035 4.284 4.320 -0.119 0.000 0.215 293 A C 1.960 179.399 177.584 -0.243 0.000 1.164 293 A CA 1.513 53.460 52.037 -0.151 0.000 0.710 293 A CB -0.403 18.542 19.000 -0.092 0.000 0.780 293 A HN 0.405 nan 8.150 nan 0.000 0.473 294 A N -1.336 121.278 122.820 -0.343 0.000 2.508 294 A HA 0.389 4.638 4.320 -0.119 0.000 0.250 294 A C 1.051 178.132 177.584 -0.838 0.000 1.208 294 A CA 0.304 52.058 52.037 -0.471 0.000 0.960 294 A CB 0.005 18.804 19.000 -0.334 0.000 1.099 294 A HN 0.195 nan 8.150 nan 0.000 0.542 295 S N 2.474 117.746 115.700 -0.713 0.000 3.593 295 S HA 0.051 4.450 4.470 -0.119 0.000 0.224 295 S C -0.101 174.346 174.600 -0.254 0.000 1.333 295 S CA -0.226 57.664 58.200 -0.516 0.000 1.164 295 S CB -0.979 62.094 63.200 -0.211 0.000 1.281 295 S HN 0.532 nan 8.310 nan 0.000 0.457 296 H N 0.885 119.913 119.070 -0.070 0.000 3.046 296 H HA -0.036 4.448 4.556 -0.120 0.000 0.303 296 H C -0.283 175.228 175.328 0.305 0.000 1.002 296 H CA 0.276 56.388 56.048 0.106 0.000 1.460 296 H CB 0.320 30.121 29.762 0.065 0.000 1.493 296 H HN 0.643 nan 8.280 nan 0.000 0.559 297 W N 7.406 128.799 121.300 0.155 0.000 2.296 297 W HA 0.176 4.764 4.660 -0.119 0.000 0.333 297 W C -2.349 174.246 176.519 0.127 0.000 0.931 297 W CA -2.198 55.228 57.345 0.136 0.000 1.538 297 W CB 0.951 30.473 29.460 0.102 0.000 1.417 297 W HN 0.448 nan 8.180 nan 0.000 0.380 298 P HA -0.081 nan 4.420 nan 0.000 0.265 298 P C 0.458 177.625 177.300 -0.223 0.000 1.187 298 P CA 1.646 64.753 63.100 0.011 0.000 0.766 298 P CB 1.454 33.189 31.700 0.059 0.000 0.820 299 A N 1.587 124.309 122.820 -0.163 0.000 3.413 299 A HA -0.242 4.007 4.320 -0.119 0.000 0.268 299 A C 0.382 177.809 177.584 -0.262 0.000 1.128 299 A CA 1.248 53.154 52.037 -0.219 0.000 1.062 299 A CB -2.259 16.580 19.000 -0.267 0.000 1.121 299 A HN 0.584 nan 8.150 nan 0.000 0.895 300 R N -0.939 119.409 120.500 -0.253 0.000 2.335 300 R HA 0.639 4.908 4.340 -0.119 0.000 0.302 300 R C 0.565 176.892 176.300 0.045 0.000 1.147 300 R CA -0.007 55.985 56.100 -0.181 0.000 1.111 300 R CB 0.511 30.587 30.300 -0.374 0.000 1.122 300 R HN 0.988 nan 8.270 nan 0.000 0.557 301 L N 1.317 122.585 121.223 0.075 0.000 3.739 301 L HA -0.269 3.999 4.340 -0.119 0.000 0.442 301 L C -0.556 176.508 176.870 0.323 0.000 1.241 301 L CA 0.672 55.626 54.840 0.189 0.000 0.819 301 L CB -0.209 41.953 42.059 0.172 0.000 1.679 301 L HN 0.676 nan 8.230 nan 0.000 0.889 302 E N 1.840 122.152 120.200 0.185 0.000 2.134 302 E HA 0.173 4.452 4.350 -0.119 0.000 0.278 302 E C -0.001 176.598 176.600 -0.003 0.000 0.959 302 E CA -0.860 55.618 56.400 0.130 0.000 0.783 302 E CB 1.055 30.780 29.700 0.043 0.000 1.095 302 E HN 0.268 nan 8.360 nan 0.000 0.399 303 K N 5.863 126.120 120.400 -0.239 0.000 2.228 303 K HA 0.073 4.321 4.320 -0.119 0.000 0.284 303 K C 0.713 177.140 176.600 -0.289 0.000 1.088 303 K CA -0.217 55.781 56.287 -0.482 0.000 0.941 303 K CB -0.021 31.740 32.500 -1.231 0.000 1.158 303 K HN 0.604 nan 8.250 nan 0.000 0.438 304 I N 0.086 120.557 120.570 -0.165 0.000 3.684 304 I HA 0.172 4.270 4.170 -0.119 0.000 0.304 304 I C 0.120 176.174 176.117 -0.104 0.000 1.278 304 I CA -0.107 61.122 61.300 -0.119 0.000 1.272 304 I CB 0.451 38.403 38.000 -0.080 0.000 1.029 304 I HN 0.242 nan 8.210 nan 0.000 0.458 305 S N -0.689 114.937 115.700 -0.123 0.000 2.537 305 S HA 0.356 4.755 4.470 -0.119 0.000 0.271 305 S C -0.335 174.205 174.600 -0.100 0.000 1.148 305 S CA -0.494 57.654 58.200 -0.086 0.000 0.868 305 S CB 1.530 64.704 63.200 -0.044 0.000 1.115 305 S HN 0.299 nan 8.310 nan 0.000 0.461 306 D N 1.117 121.474 120.400 -0.071 0.000 2.431 306 D HA 0.294 4.862 4.640 -0.119 0.000 0.235 306 D C -0.180 176.110 176.300 -0.017 0.000 0.980 306 D CA 0.717 54.684 54.000 -0.055 0.000 0.912 306 D CB 0.725 41.496 40.800 -0.049 0.000 1.056 306 D HN 0.465 nan 8.370 nan 0.000 0.494 307 T N 2.330 116.876 114.554 -0.013 0.000 3.066 307 T HA 0.356 4.634 4.350 -0.119 0.000 0.318 307 T C -2.499 172.201 174.700 -0.000 0.000 0.979 307 T CA -1.040 61.060 62.100 -0.000 0.000 1.025 307 T CB 1.920 70.790 68.868 0.003 0.000 1.002 307 T HN 0.047 nan 8.240 nan 0.000 0.453 308 P HA 0.319 nan 4.420 nan 0.000 0.274 308 P C -0.499 176.801 177.300 0.001 0.000 1.237 308 P CA -0.731 62.372 63.100 0.006 0.000 0.793 308 P CB 1.215 32.921 31.700 0.011 0.000 0.977 309 L N 2.448 123.675 121.223 0.008 0.000 2.325 309 L HA 0.328 4.597 4.340 -0.119 0.000 0.284 309 L C -0.333 176.544 176.870 0.013 0.000 1.089 309 L CA -0.279 54.569 54.840 0.013 0.000 0.836 309 L CB -0.372 41.728 42.059 0.069 0.000 1.184 309 L HN 0.261 nan 8.230 nan 0.000 0.444 310 I N 4.927 125.493 120.570 -0.007 0.000 2.569 310 I HA 0.478 4.576 4.170 -0.119 0.000 0.296 310 I C -0.813 175.300 176.117 -0.007 0.000 1.028 310 I CA -0.815 60.487 61.300 0.003 0.000 1.082 310 I CB 2.276 40.278 38.000 0.002 0.000 1.264 310 I HN 0.200 nan 8.210 nan 0.000 0.429 311 V N 6.033 125.970 119.914 0.037 0.000 2.709 311 V HA 0.519 4.568 4.120 -0.119 0.000 0.308 311 V C -0.376 175.734 176.094 0.026 0.000 1.062 311 V CA -0.645 61.694 62.300 0.065 0.000 0.901 311 V CB 2.226 34.192 31.823 0.238 0.000 1.003 311 V HN 0.585 nan 8.190 nan 0.000 0.425 312 I N 0.443 121.011 120.570 -0.002 0.000 2.474 312 I HA 0.920 5.019 4.170 -0.119 0.000 0.294 312 I C -1.091 175.000 176.117 -0.045 0.000 1.005 312 I CA -0.279 60.986 61.300 -0.059 0.000 1.113 312 I CB 2.002 39.933 38.000 -0.115 0.000 1.289 312 I HN 0.636 nan 8.210 nan 0.000 0.436 313 D N 2.971 123.326 120.400 -0.075 0.000 2.661 313 D HA 0.572 5.140 4.640 -0.119 0.000 0.228 313 D C 0.386 176.600 176.300 -0.144 0.000 1.183 313 D CA -0.543 53.412 54.000 -0.076 0.000 0.844 313 D CB 2.452 43.245 40.800 -0.012 0.000 1.555 313 D HN 0.764 nan 8.370 nan 0.000 0.453 314 G N 0.888 109.582 108.800 -0.176 0.000 3.189 314 G HA2 0.428 4.316 3.960 -0.119 0.000 0.225 314 G HA3 0.428 4.316 3.960 -0.119 0.000 0.225 314 G C 0.566 175.328 174.900 -0.231 0.000 1.159 314 G CA 0.281 45.227 45.100 -0.256 0.000 0.763 314 G HN 0.682 nan 8.290 nan 0.000 0.549 315 A N 0.612 123.380 122.820 -0.087 0.000 2.609 315 A HA 0.305 4.553 4.320 -0.119 0.000 0.232 315 A C 0.920 178.554 177.584 0.083 0.000 1.041 315 A CA 1.206 53.275 52.037 0.054 0.000 0.753 315 A CB -0.041 18.988 19.000 0.048 0.000 0.966 315 A HN 0.778 nan 8.150 nan 0.000 0.510 316 H N 1.029 120.042 119.070 -0.094 0.000 2.258 316 H HA 0.335 4.820 4.556 -0.119 0.000 0.185 316 H C 1.197 176.485 175.328 -0.067 0.000 0.986 316 H CA -0.130 55.859 56.048 -0.098 0.000 1.166 316 H CB -0.052 29.654 29.762 -0.093 0.000 1.161 316 H HN 0.732 nan 8.280 nan 0.000 0.420 317 N N 2.728 121.311 118.700 -0.195 0.000 2.285 317 N HA 0.062 4.731 4.740 -0.119 0.000 0.262 317 N C -1.370 174.078 175.510 -0.103 0.000 1.299 317 N CA -0.702 52.241 53.050 -0.179 0.000 0.930 317 N CB -0.962 37.352 38.487 -0.289 0.000 1.157 317 N HN 0.266 nan 8.380 nan 0.000 0.532 318 P HA -0.169 nan 4.420 nan 0.000 0.214 318 P C 0.553 177.823 177.300 -0.050 0.000 1.162 318 P CA 1.542 64.614 63.100 -0.046 0.000 0.879 318 P CB -0.024 31.654 31.700 -0.038 0.000 0.786 319 D N 0.197 120.552 120.400 -0.074 0.000 2.144 319 D HA -0.105 4.464 4.640 -0.119 0.000 0.199 319 D C 2.319 178.563 176.300 -0.094 0.000 0.984 319 D CA 1.659 55.615 54.000 -0.073 0.000 0.834 319 D CB -1.026 39.724 40.800 -0.083 0.000 0.955 319 D HN 0.107 nan 8.370 nan 0.000 0.465 320 G N 0.688 109.406 108.800 -0.138 0.000 2.450 320 G HA2 -0.223 3.665 3.960 -0.119 0.000 0.220 320 G HA3 -0.223 3.665 3.960 -0.119 0.000 0.220 320 G C 1.772 176.656 174.900 -0.028 0.000 1.130 320 G CA 0.614 45.639 45.100 -0.125 0.000 0.760 320 G HN 0.450 nan 8.290 nan 0.000 0.557 321 I N -0.658 119.905 120.570 -0.012 0.000 3.645 321 I HA 0.148 4.247 4.170 -0.119 0.000 0.300 321 I C 1.883 178.024 176.117 0.041 0.000 1.260 321 I CA 0.031 61.348 61.300 0.028 0.000 1.365 321 I CB 0.068 38.087 38.000 0.033 0.000 1.077 321 I HN 0.015 nan 8.210 nan 0.000 0.439 322 N N 1.048 119.757 118.700 0.014 0.000 2.396 322 N HA -0.051 4.617 4.740 -0.119 0.000 0.180 322 N C 1.619 177.151 175.510 0.038 0.000 1.028 322 N CA 1.228 54.292 53.050 0.023 0.000 0.893 322 N CB 0.098 38.585 38.487 0.001 0.000 0.967 322 N HN 0.475 nan 8.380 nan 0.000 0.440 323 G N 0.061 108.881 108.800 0.033 0.000 2.985 323 G HA2 -0.025 3.864 3.960 -0.119 0.000 0.209 323 G HA3 -0.025 3.864 3.960 -0.119 0.000 0.209 323 G C 1.432 176.404 174.900 0.121 0.000 1.165 323 G CA -0.068 45.078 45.100 0.077 0.000 0.776 323 G HN 0.156 nan 8.290 nan 0.000 0.541 324 L N 0.066 121.352 121.223 0.105 0.000 2.189 324 L HA 0.352 4.621 4.340 -0.119 0.000 0.199 324 L C 2.372 179.344 176.870 0.170 0.000 1.074 324 L CA 1.013 55.929 54.840 0.127 0.000 0.783 324 L CB -0.414 41.709 42.059 0.108 0.000 0.955 324 L HN 0.052 nan 8.230 nan 0.000 0.460 325 I N 0.396 121.081 120.570 0.192 0.000 2.315 325 I HA -0.288 3.810 4.170 -0.119 0.000 0.251 325 I C 2.350 178.561 176.117 0.157 0.000 1.125 325 I CA 2.066 63.518 61.300 0.254 0.000 1.392 325 I CB -1.140 36.935 38.000 0.126 0.000 1.065 325 I HN 0.514 nan 8.210 nan 0.000 0.424 326 T N -2.487 112.129 114.554 0.102 0.000 3.054 326 T HA 0.185 4.464 4.350 -0.119 0.000 0.259 326 T C 1.919 176.656 174.700 0.063 0.000 1.092 326 T CA 0.601 62.741 62.100 0.066 0.000 1.121 326 T CB -0.348 68.551 68.868 0.051 0.000 0.912 326 T HN 0.269 nan 8.240 nan 0.000 0.489 327 A N 1.553 124.421 122.820 0.079 0.000 1.930 327 A HA 0.354 4.603 4.320 -0.119 0.000 0.215 327 A C 2.268 179.857 177.584 0.008 0.000 1.176 327 A CA 0.618 52.672 52.037 0.028 0.000 0.632 327 A CB -0.693 18.337 19.000 0.051 0.000 0.819 327 A HN 0.479 nan 8.150 nan 0.000 0.445 328 L N -0.505 120.789 121.223 0.119 0.000 2.217 328 L HA -0.089 4.179 4.340 -0.119 0.000 0.211 328 L C 2.520 179.534 176.870 0.240 0.000 1.107 328 L CA 1.376 56.340 54.840 0.207 0.000 0.783 328 L CB -0.312 41.943 42.059 0.328 0.000 0.919 328 L HN 0.444 nan 8.230 nan 0.000 0.442 329 K N 0.432 120.944 120.400 0.187 0.000 2.057 329 K HA -0.210 4.038 4.320 -0.119 0.000 0.207 329 K C 2.023 178.665 176.600 0.069 0.000 1.049 329 K CA 1.498 57.863 56.287 0.130 0.000 0.931 329 K CB 0.041 32.579 32.500 0.063 0.000 0.714 329 K HN 0.408 nan 8.250 nan 0.000 0.440 330 Q N 0.215 120.020 119.800 0.009 0.000 2.083 330 Q HA -0.085 4.183 4.340 -0.119 0.000 0.198 330 Q C 2.194 178.132 176.000 -0.104 0.000 0.969 330 Q CA 1.109 56.886 55.803 -0.043 0.000 0.838 330 Q CB 0.021 28.716 28.738 -0.071 0.000 0.900 330 Q HN 0.314 nan 8.270 nan 0.000 0.436 331 L N -0.809 120.290 121.223 -0.206 0.000 2.418 331 L HA 0.088 4.357 4.340 -0.119 0.000 0.218 331 L C 0.151 176.742 176.870 -0.466 0.000 1.125 331 L CA 0.352 54.924 54.840 -0.446 0.000 0.835 331 L CB 0.335 41.902 42.059 -0.819 0.000 0.953 331 L HN 0.040 nan 8.230 nan 0.000 0.454 332 F N -1.968 118.005 119.950 0.038 0.000 2.556 332 F HA 0.163 4.618 4.527 -0.119 0.000 0.314 332 F C 0.910 176.754 175.800 0.074 0.000 1.106 332 F CA -0.663 57.385 58.000 0.079 0.000 0.911 332 F CB 1.988 41.055 39.000 0.111 0.000 1.190 332 F HN -0.238 nan 8.300 nan 0.000 0.448 333 S N 0.287 116.165 115.700 0.297 0.000 2.539 333 S HA 0.066 4.464 4.470 -0.119 0.000 0.226 333 S C 0.343 175.029 174.600 0.144 0.000 1.054 333 S CA -0.425 57.877 58.200 0.171 0.000 0.910 333 S CB -0.148 63.125 63.200 0.121 0.000 0.818 333 S HN 0.700 nan 8.310 nan 0.000 0.490 334 Q N 1.615 121.509 119.800 0.156 0.000 2.318 334 Q HA 0.549 4.817 4.340 -0.119 0.000 0.222 334 Q C -2.911 173.111 176.000 0.038 0.000 1.003 334 Q CA -1.978 53.872 55.803 0.078 0.000 0.936 334 Q CB -0.840 27.934 28.738 0.059 0.000 1.204 334 Q HN 0.031 nan 8.270 nan 0.000 0.524 335 P HA 0.155 nan 4.420 nan 0.000 0.271 335 P C -0.927 176.330 177.300 -0.072 0.000 1.220 335 P CA -0.011 63.091 63.100 0.003 0.000 0.768 335 P CB 0.391 32.092 31.700 0.002 0.000 0.848 336 I N -1.359 119.173 120.570 -0.062 0.000 3.002 336 I HA 0.657 4.756 4.170 -0.119 0.000 0.310 336 I C -0.846 175.181 176.117 -0.149 0.000 1.087 336 I CA -0.763 60.427 61.300 -0.183 0.000 1.017 336 I CB 2.542 40.359 38.000 -0.304 0.000 1.226 336 I HN 0.009 nan 8.210 nan 0.000 0.443 337 T N 3.229 117.676 114.554 -0.178 0.000 2.772 337 T HA 0.522 4.800 4.350 -0.119 0.000 0.288 337 T C -0.384 174.202 174.700 -0.189 0.000 0.994 337 T CA -0.378 61.624 62.100 -0.163 0.000 0.951 337 T CB 1.366 70.189 68.868 -0.075 0.000 0.933 337 T HN 0.398 nan 8.240 nan 0.000 0.447 338 V N 5.416 125.187 119.914 -0.239 0.000 2.398 338 V HA 0.486 4.534 4.120 -0.119 0.000 0.286 338 V C -0.035 176.008 176.094 -0.086 0.000 1.026 338 V CA -0.800 61.364 62.300 -0.227 0.000 0.868 338 V CB 1.330 32.932 31.823 -0.369 0.000 0.982 338 V HN 0.806 nan 8.190 nan 0.000 0.443 339 I N 4.586 125.149 120.570 -0.012 0.000 2.359 339 I HA 0.656 4.755 4.170 -0.119 0.000 0.284 339 I C 0.329 176.470 176.117 0.040 0.000 1.018 339 I CA -0.277 61.073 61.300 0.084 0.000 1.173 339 I CB 1.414 39.502 38.000 0.147 0.000 1.326 339 I HN 0.687 nan 8.210 nan 0.000 0.462 340 A N 4.216 127.064 122.820 0.046 0.000 2.337 340 A HA 0.796 5.044 4.320 -0.119 0.000 0.329 340 A C 0.388 177.991 177.584 0.032 0.000 1.146 340 A CA -0.543 51.506 52.037 0.019 0.000 0.800 340 A CB 1.289 20.298 19.000 0.015 0.000 1.220 340 A HN 0.818 nan 8.150 nan 0.000 0.472 341 G N 0.625 109.424 108.800 -0.002 0.000 4.928 341 G HA2 0.560 4.449 3.960 -0.119 0.000 0.321 341 G HA3 0.560 4.449 3.960 -0.119 0.000 0.321 341 G C 0.100 174.990 174.900 -0.016 0.000 1.455 341 G CA 0.577 45.679 45.100 0.004 0.000 1.081 341 G HN 1.362 nan 8.290 nan 0.000 0.569 342 I N 0.992 121.563 120.570 0.000 0.000 2.764 342 I HA 0.870 4.969 4.170 -0.119 0.000 0.294 342 I C 0.492 176.618 176.117 0.014 0.000 1.045 342 I CA -1.055 60.245 61.300 -0.000 0.000 1.340 342 I CB 0.954 38.958 38.000 0.007 0.000 1.436 342 I HN 0.589 nan 8.210 nan 0.000 0.567 349 A N 1.653 124.481 122.820 0.012 0.000 2.225 349 A HA 0.292 4.540 4.320 -0.119 0.000 0.215 349 A C 2.243 179.834 177.584 0.012 0.000 1.164 349 A CA 2.390 54.436 52.037 0.015 0.000 0.710 349 A CB -1.277 17.731 19.000 0.014 0.000 0.780 349 A HN 2.072 nan 8.150 nan 0.000 0.473 350 A N -0.224 122.601 122.820 0.008 0.000 1.898 350 A HA -0.063 4.186 4.320 -0.119 0.000 0.216 350 A C 2.183 179.771 177.584 0.007 0.000 1.181 350 A CA 1.605 53.645 52.037 0.005 0.000 0.620 350 A CB -0.426 18.574 19.000 -0.000 0.000 0.819 350 A HN 0.536 nan 8.150 nan 0.000 0.442 351 M N -0.639 118.967 119.600 0.009 0.000 2.200 351 M HA -0.026 4.383 4.480 -0.119 0.000 0.265 351 M C 2.505 178.821 176.300 0.027 0.000 1.066 351 M CA 1.075 56.384 55.300 0.015 0.000 1.127 351 M CB -0.489 32.119 32.600 0.013 0.000 1.379 351 M HN 0.438 nan 8.290 nan 0.000 0.420 352 A N 0.631 123.467 122.820 0.027 0.000 1.997 352 A HA -0.274 3.974 4.320 -0.119 0.000 0.221 352 A C 1.719 179.324 177.584 0.034 0.000 1.172 352 A CA 2.519 54.576 52.037 0.034 0.000 0.645 352 A CB -0.979 18.039 19.000 0.030 0.000 0.813 352 A HN 0.506 nan 8.150 nan 0.000 0.454 353 D N -1.394 119.020 120.400 0.023 0.000 2.183 353 D HA -0.009 4.560 4.640 -0.119 0.000 0.203 353 D C 2.394 178.702 176.300 0.015 0.000 0.969 353 D CA 1.584 55.594 54.000 0.016 0.000 0.842 353 D CB -0.084 40.720 40.800 0.008 0.000 0.957 353 D HN 0.401 nan 8.370 nan 0.000 0.484 354 R N 0.124 120.638 120.500 0.022 0.000 2.115 354 R HA 0.121 4.389 4.340 -0.119 0.000 0.226 354 R C 2.283 178.614 176.300 0.050 0.000 1.100 354 R CA 1.080 57.193 56.100 0.022 0.000 0.980 354 R CB -1.342 28.974 30.300 0.028 0.000 0.875 354 R HN 0.305 nan 8.270 nan 0.000 0.445 355 L N 0.844 122.127 121.223 0.101 0.000 2.127 355 L HA -0.071 4.198 4.340 -0.119 0.000 0.203 355 L C 3.013 179.998 176.870 0.190 0.000 1.080 355 L CA 1.841 56.811 54.840 0.217 0.000 0.768 355 L CB -0.167 41.999 42.059 0.177 0.000 0.924 355 L HN 0.600 nan 8.230 nan 0.000 0.444 356 T N -2.512 112.096 114.554 0.090 0.000 2.867 356 T HA -0.047 4.231 4.350 -0.119 0.000 0.268 356 T C 1.292 175.999 174.700 0.011 0.000 1.057 356 T CA 0.776 62.908 62.100 0.054 0.000 1.136 356 T CB -0.274 68.613 68.868 0.031 0.000 0.874 356 T HN 0.244 nan 8.240 nan 0.000 0.466 357 A N 0.166 122.977 122.820 -0.016 0.000 2.988 357 A HA 0.855 5.104 4.320 -0.119 0.000 0.288 357 A C 1.503 179.007 177.584 -0.134 0.000 1.385 357 A CA 0.077 52.081 52.037 -0.056 0.000 1.001 357 A CB -0.858 18.118 19.000 -0.041 0.000 1.071 357 A HN 0.714 nan 8.150 nan 0.000 0.608 358 A N -1.048 121.640 122.820 -0.219 0.000 1.998 358 A HA 0.609 4.857 4.320 -0.119 0.000 0.180 358 A C -0.048 177.001 177.584 -0.892 0.000 1.858 358 A CA 0.202 51.890 52.037 -0.581 0.000 1.403 358 A CB 0.481 19.041 19.000 -0.733 0.000 1.550 358 A HN 0.390 nan 8.150 nan 0.000 0.385 359 F N -0.653 119.285 119.950 -0.021 0.000 2.603 359 F HA 0.598 5.054 4.527 -0.119 0.000 0.317 359 F C 1.470 177.239 175.800 -0.052 0.000 1.066 359 F CA -0.323 57.657 58.000 -0.033 0.000 0.941 359 F CB 1.709 40.685 39.000 -0.041 0.000 1.291 359 F HN -0.048 nan 8.300 nan 0.000 0.472 360 S N -0.114 115.663 115.700 0.129 0.000 2.404 360 S HA -0.089 4.309 4.470 -0.119 0.000 0.216 360 S C 0.621 175.216 174.600 -0.009 0.000 1.039 360 S CA 1.606 59.827 58.200 0.036 0.000 1.062 360 S CB -0.481 62.730 63.200 0.018 0.000 1.046 360 S HN 0.764 nan 8.310 nan 0.000 0.415 361 T N 0.844 115.360 114.554 -0.063 0.000 2.806 361 T HA 0.652 4.930 4.350 -0.119 0.000 0.290 361 T C -0.696 173.829 174.700 -0.291 0.000 0.966 361 T CA -0.656 61.312 62.100 -0.219 0.000 1.060 361 T CB 1.311 70.014 68.868 -0.274 0.000 0.927 361 T HN 0.047 nan 8.240 nan 0.000 0.485 362 V N 3.698 123.375 119.914 -0.395 0.000 2.655 362 V HA 0.342 4.391 4.120 -0.119 0.000 0.301 362 V C -1.389 174.520 176.094 -0.308 0.000 1.082 362 V CA -1.099 61.030 62.300 -0.286 0.000 0.899 362 V CB 1.279 33.068 31.823 -0.057 0.000 1.014 362 V HN 0.965 nan 8.190 nan 0.000 0.429 363 Y N 4.567 124.879 120.300 0.019 0.000 2.360 363 Y HA 0.685 5.163 4.550 -0.119 0.000 0.337 363 Y C 0.062 175.978 175.900 0.027 0.000 1.039 363 Y CA -0.977 57.137 58.100 0.023 0.000 1.109 363 Y CB 1.899 40.373 38.460 0.024 0.000 1.201 363 Y HN 0.430 nan 8.280 nan 0.000 0.458 364 L N 5.408 126.755 121.223 0.208 0.000 2.280 364 L HA 0.608 4.877 4.340 -0.119 0.000 0.287 364 L C -0.416 176.520 176.870 0.109 0.000 1.023 364 L CA -0.883 54.031 54.840 0.123 0.000 0.819 364 L CB 0.796 42.909 42.059 0.089 0.000 1.212 364 L HN 0.442 nan 8.230 nan 0.000 0.420 365 V N 1.474 121.451 119.914 0.104 0.000 3.113 365 V HA 0.764 4.813 4.120 -0.119 0.000 0.316 365 V C -2.694 173.454 176.094 0.089 0.000 1.125 365 V CA -2.475 59.883 62.300 0.097 0.000 1.026 365 V CB 1.761 33.668 31.823 0.140 0.000 1.080 365 V HN 0.432 nan 8.190 nan 0.000 0.444 366 P HA 0.441 nan 4.420 nan 0.000 0.279 366 P C -0.909 176.456 177.300 0.108 0.000 1.252 366 P CA -0.409 62.741 63.100 0.083 0.000 0.811 366 P CB 1.100 32.842 31.700 0.070 0.000 1.035 367 V N 4.693 124.661 119.914 0.090 0.000 2.406 367 V HA 0.216 4.264 4.120 -0.119 0.000 0.272 367 V C -1.920 174.251 176.094 0.128 0.000 1.043 367 V CA -1.575 60.784 62.300 0.098 0.000 0.915 367 V CB 0.650 32.531 31.823 0.096 0.000 0.988 367 V HN 0.585 nan 8.190 nan 0.000 0.466 368 P HA 0.153 nan 4.420 nan 0.000 0.269 368 P C 0.862 178.228 177.300 0.110 0.000 1.211 368 P CA 0.986 64.168 63.100 0.136 0.000 0.781 368 P CB 0.435 32.233 31.700 0.163 0.000 0.877 369 G N 0.080 108.924 108.800 0.073 0.000 2.225 369 G HA2 -0.192 3.696 3.960 -0.119 0.000 0.267 369 G HA3 -0.192 3.696 3.960 -0.119 0.000 0.267 369 G C -0.065 174.845 174.900 0.016 0.000 1.024 369 G CA 0.344 45.462 45.100 0.031 0.000 0.784 369 G HN 0.671 nan 8.290 nan 0.000 0.507 370 T N 1.038 115.617 114.554 0.040 0.000 2.993 370 T HA 0.597 4.875 4.350 -0.119 0.000 0.312 370 T C -1.905 172.814 174.700 0.031 0.000 1.115 370 T CA -0.431 61.690 62.100 0.035 0.000 1.027 370 T CB 2.935 71.847 68.868 0.073 0.000 1.116 370 T HN 0.259 nan 8.240 nan 0.000 0.464 371 P HA 0.290 nan 4.420 nan 0.000 0.272 371 P C -0.681 176.632 177.300 0.023 0.000 1.254 371 P CA -0.693 62.417 63.100 0.016 0.000 0.795 371 P CB 0.753 32.458 31.700 0.008 0.000 1.022 372 R N 0.319 120.830 120.500 0.019 0.000 2.204 372 R HA 0.560 4.829 4.340 -0.119 0.000 0.341 372 R C -0.169 176.141 176.300 0.016 0.000 1.035 372 R CA -0.358 55.754 56.100 0.020 0.000 0.887 372 R CB 0.502 30.813 30.300 0.018 0.000 1.114 372 R HN 0.643 nan 8.270 nan 0.000 0.473 373 A N 4.426 127.257 122.820 0.018 0.000 2.252 373 A HA 0.579 4.828 4.320 -0.119 0.000 0.305 373 A C 0.119 177.711 177.584 0.014 0.000 1.097 373 A CA -0.559 51.486 52.037 0.014 0.000 0.849 373 A CB 0.695 19.704 19.000 0.015 0.000 1.142 373 A HN 0.667 nan 8.150 nan 0.000 0.499 387 L N 2.654 123.948 121.223 0.118 0.000 2.395 387 L HA 0.418 4.687 4.340 -0.119 0.000 0.269 387 L C 0.146 177.027 176.870 0.017 0.000 1.133 387 L CA -0.038 54.844 54.840 0.071 0.000 0.812 387 L CB 0.568 42.653 42.059 0.043 0.000 1.125 387 L HN -0.254 nan 8.230 nan 0.000 0.452 388 K N 1.065 121.463 120.400 -0.003 0.000 2.536 388 K HA 0.241 4.489 4.320 -0.119 0.000 0.269 388 K C -0.374 176.205 176.600 -0.034 0.000 0.965 388 K CA -0.707 55.542 56.287 -0.063 0.000 0.860 388 K CB 1.855 34.275 32.500 -0.134 0.000 1.423 388 K HN 0.386 nan 8.250 nan 0.000 0.438 389 D N 0.290 120.657 120.400 -0.056 0.000 2.317 389 D HA -0.026 4.542 4.640 -0.119 0.000 0.211 389 D C 0.249 176.526 176.300 -0.037 0.000 0.966 389 D CA 0.881 54.857 54.000 -0.040 0.000 0.876 389 D CB 0.482 41.251 40.800 -0.051 0.000 0.927 389 D HN 0.531 nan 8.370 nan 0.000 0.519 390 S N -0.955 114.706 115.700 -0.064 0.000 2.578 390 S HA 0.121 4.519 4.470 -0.119 0.000 0.272 390 S C 0.602 175.150 174.600 -0.085 0.000 1.145 390 S CA -1.071 57.085 58.200 -0.073 0.000 0.835 390 S CB 0.229 63.309 63.200 -0.201 0.000 1.104 390 S HN 0.216 nan 8.310 nan 0.000 0.458 391 W N 1.058 122.349 121.300 -0.015 0.000 2.350 391 W HA -0.129 4.461 4.660 -0.118 0.000 0.289 391 W C 0.934 177.440 176.519 -0.023 0.000 1.215 391 W CA 1.695 59.032 57.345 -0.012 0.000 1.236 391 W CB -1.432 28.025 29.460 -0.005 0.000 1.130 391 W HN 0.782 nan 8.180 nan 0.000 0.541 392 Q N 1.106 120.314 119.800 -0.987 0.000 2.050 392 Q HA -0.229 4.039 4.340 -0.119 0.000 0.202 392 Q C 2.305 178.079 176.000 -0.377 0.000 0.980 392 Q CA 2.657 57.937 55.803 -0.873 0.000 0.840 392 Q CB -0.673 27.506 28.738 -0.932 0.000 0.898 392 Q HN 0.495 nan 8.270 nan 0.000 0.424 393 E N -0.188 119.829 120.200 -0.306 0.000 2.077 393 E HA -0.203 4.076 4.350 -0.119 0.000 0.193 393 E C 1.793 178.264 176.600 -0.213 0.000 0.989 393 E CA 1.014 57.282 56.400 -0.219 0.000 0.800 393 E CB -0.113 29.473 29.700 -0.191 0.000 0.746 393 E HN 0.378 nan 8.360 nan 0.000 0.452 394 A N 0.798 123.505 122.820 -0.189 0.000 1.930 394 A HA -0.128 4.121 4.320 -0.119 0.000 0.217 394 A C 2.083 179.632 177.584 -0.059 0.000 1.175 394 A CA 1.099 53.005 52.037 -0.217 0.000 0.627 394 A CB -0.502 18.478 19.000 -0.034 0.000 0.815 394 A HN 0.383 nan 8.150 nan 0.000 0.443 395 L N -0.350 120.881 121.223 0.012 0.000 2.072 395 L HA 0.061 4.330 4.340 -0.119 0.000 0.205 395 L C 2.598 179.474 176.870 0.009 0.000 1.079 395 L CA 2.090 56.973 54.840 0.073 0.000 0.752 395 L CB -0.850 41.299 42.059 0.150 0.000 0.906 395 L HN 0.305 nan 8.230 nan 0.000 0.436 396 A N -0.443 122.342 122.820 -0.058 0.000 1.930 396 A HA -0.041 4.207 4.320 -0.119 0.000 0.217 396 A C 2.440 179.993 177.584 -0.051 0.000 1.175 396 A CA 1.664 53.665 52.037 -0.060 0.000 0.627 396 A CB -1.103 17.840 19.000 -0.096 0.000 0.815 396 A HN 0.559 nan 8.150 nan 0.000 0.443 397 A N -0.878 121.890 122.820 -0.087 0.000 1.877 397 A HA -0.101 4.148 4.320 -0.119 0.000 0.216 397 A C 2.484 180.072 177.584 0.008 0.000 1.186 397 A CA 2.147 54.136 52.037 -0.080 0.000 0.620 397 A CB -1.039 17.838 19.000 -0.206 0.000 0.822 397 A HN 0.512 nan 8.150 nan 0.000 0.443 398 S N -0.366 115.373 115.700 0.065 0.000 2.353 398 S HA -0.113 4.286 4.470 -0.119 0.000 0.222 398 S C 1.855 176.494 174.600 0.065 0.000 1.035 398 S CA 1.569 59.850 58.200 0.135 0.000 1.025 398 S CB -0.500 62.809 63.200 0.182 0.000 0.902 398 S HN 0.477 nan 8.310 nan 0.000 0.440 399 L N 1.338 122.586 121.223 0.042 0.000 2.353 399 L HA -0.072 4.197 4.340 -0.119 0.000 0.220 399 L C 2.236 179.115 176.870 0.016 0.000 1.133 399 L CA 1.070 55.925 54.840 0.025 0.000 0.798 399 L CB -0.525 41.546 42.059 0.020 0.000 0.922 399 L HN 0.402 nan 8.230 nan 0.000 0.445 400 N N -0.535 118.173 118.700 0.012 0.000 2.305 400 N HA -0.131 4.537 4.740 -0.119 0.000 0.179 400 N C 1.472 176.990 175.510 0.013 0.000 1.019 400 N CA 0.937 53.990 53.050 0.005 0.000 0.869 400 N CB 0.262 38.744 38.487 -0.008 0.000 1.000 400 N HN 0.116 nan 8.380 nan 0.000 0.431 401 D N -0.468 119.948 120.400 0.026 0.000 2.110 401 D HA -0.019 4.550 4.640 -0.119 0.000 0.202 401 D C 0.239 176.556 176.300 0.028 0.000 0.975 401 D CA 1.082 55.102 54.000 0.032 0.000 0.839 401 D CB 0.167 41.000 40.800 0.055 0.000 0.996 401 D HN 0.216 nan 8.370 nan 0.000 0.464 402 V N -1.520 118.413 119.914 0.031 0.000 2.465 402 V HA 0.302 4.351 4.120 -0.119 0.000 0.263 402 V C -2.341 173.762 176.094 0.015 0.000 0.981 402 V CA -1.490 60.821 62.300 0.019 0.000 0.838 402 V CB 1.595 33.427 31.823 0.015 0.000 1.068 402 V HN -0.234 nan 8.190 nan 0.000 0.458 403 P HA -0.151 nan 4.420 nan 0.000 0.216 403 P C 0.820 178.124 177.300 0.006 0.000 1.154 403 P CA 1.744 64.850 63.100 0.011 0.000 0.865 403 P CB 0.175 31.881 31.700 0.010 0.000 0.789 404 D N -1.506 118.897 120.400 0.004 0.000 2.328 404 D HA -0.024 4.545 4.640 -0.119 0.000 0.226 404 D C 0.726 177.018 176.300 -0.015 0.000 1.066 404 D CA 0.344 54.345 54.000 0.001 0.000 0.861 404 D CB -0.200 40.605 40.800 0.008 0.000 0.912 404 D HN 0.347 nan 8.370 nan 0.000 0.521 405 Q N 2.328 122.114 119.800 -0.024 0.000 2.314 405 Q HA 0.185 4.454 4.340 -0.119 0.000 0.257 405 Q C -2.449 173.499 176.000 -0.086 0.000 0.975 405 Q CA -1.931 53.837 55.803 -0.058 0.000 0.933 405 Q CB 1.496 30.207 28.738 -0.045 0.000 1.195 405 Q HN -0.093 nan 8.270 nan 0.000 0.426 406 P HA -0.006 nan 4.420 nan 0.000 0.265 406 P C -0.954 176.244 177.300 -0.170 0.000 1.193 406 P CA 0.231 63.216 63.100 -0.193 0.000 0.765 406 P CB 0.655 32.081 31.700 -0.456 0.000 0.823 407 I N 3.358 123.882 120.570 -0.075 0.000 2.404 407 I HA 0.245 4.344 4.170 -0.119 0.000 0.293 407 I C 0.078 176.183 176.117 -0.020 0.000 0.992 407 I CA -0.664 60.609 61.300 -0.045 0.000 1.149 407 I CB 1.909 39.917 38.000 0.014 0.000 1.315 407 I HN 0.062 nan 8.210 nan 0.000 0.446 408 V N 6.575 126.459 119.914 -0.051 0.000 2.448 408 V HA 0.483 4.531 4.120 -0.119 0.000 0.295 408 V C -0.203 175.866 176.094 -0.042 0.000 1.025 408 V CA -0.614 61.673 62.300 -0.021 0.000 0.859 408 V CB 1.722 33.515 31.823 -0.050 0.000 0.988 408 V HN 0.376 nan 8.190 nan 0.000 0.431 409 I N 4.100 124.652 120.570 -0.030 0.000 2.354 409 I HA 0.660 4.758 4.170 -0.119 0.000 0.292 409 I C 0.200 176.272 176.117 -0.074 0.000 0.989 409 I CA 0.234 61.503 61.300 -0.052 0.000 1.188 409 I CB 1.377 39.323 38.000 -0.091 0.000 1.342 409 I HN 0.734 nan 8.210 nan 0.000 0.457 410 T N 2.582 117.090 114.554 -0.076 0.000 2.711 410 T HA 0.680 4.959 4.350 -0.119 0.000 0.302 410 T C 0.307 174.954 174.700 -0.090 0.000 1.373 410 T CA 0.443 62.492 62.100 -0.085 0.000 1.000 410 T CB 1.781 70.619 68.868 -0.051 0.000 1.483 410 T HN 0.898 nan 8.240 nan 0.000 0.499 411 G N 0.894 109.634 108.800 -0.100 0.000 2.481 411 G HA2 0.074 3.963 3.960 -0.119 0.000 0.200 411 G HA3 0.074 3.963 3.960 -0.119 0.000 0.200 411 G C 0.023 174.811 174.900 -0.188 0.000 1.012 411 G CA 0.671 45.710 45.100 -0.101 0.000 0.676 411 G HN 1.987 nan 8.290 nan 0.000 0.488 412 S N -0.639 114.873 115.700 -0.314 0.000 2.543 412 S HA 0.635 5.033 4.470 -0.119 0.000 0.274 412 S C 0.353 174.562 174.600 -0.652 0.000 1.149 412 S CA -0.037 57.792 58.200 -0.618 0.000 0.866 412 S CB 1.461 64.142 63.200 -0.865 0.000 1.111 412 S HN 0.835 nan 8.310 nan 0.000 0.457 413 L N 1.188 121.942 121.223 -0.782 0.000 2.291 413 L HA 0.057 4.326 4.340 -0.119 0.000 0.214 413 L C 1.310 178.027 176.870 -0.254 0.000 1.120 413 L CA 1.822 56.410 54.840 -0.421 0.000 0.799 413 L CB -1.198 40.720 42.059 -0.235 0.000 0.925 413 L HN 0.927 nan 8.230 nan 0.000 0.446 414 Y N -1.793 118.399 120.300 -0.178 0.000 2.365 414 Y HA -0.047 4.431 4.550 -0.120 0.000 0.293 414 Y C 2.224 178.026 175.900 -0.163 0.000 1.119 414 Y CA -0.131 57.868 58.100 -0.168 0.000 1.203 414 Y CB -1.135 37.247 38.460 -0.131 0.000 1.026 414 Y HN 0.042 nan 8.280 nan 0.000 0.549 415 L N 1.092 122.185 121.223 -0.215 0.000 2.044 415 L HA 0.095 4.364 4.340 -0.119 0.000 0.205 415 L C 2.412 179.079 176.870 -0.338 0.000 1.075 415 L CA 1.837 56.527 54.840 -0.251 0.000 0.747 415 L CB -1.134 40.777 42.059 -0.248 0.000 0.903 415 L HN 0.134 nan 8.230 nan 0.000 0.435 416 A N -1.299 121.340 122.820 -0.301 0.000 1.883 416 A HA -0.266 3.982 4.320 -0.119 0.000 0.217 416 A C 2.537 179.975 177.584 -0.244 0.000 1.186 416 A CA 2.148 54.019 52.037 -0.277 0.000 0.624 416 A CB -1.316 17.538 19.000 -0.243 0.000 0.822 416 A HN 0.537 nan 8.150 nan 0.000 0.444 417 S N -0.657 114.927 115.700 -0.193 0.000 2.383 417 S HA -0.063 4.335 4.470 -0.119 0.000 0.229 417 S C 2.114 176.650 174.600 -0.107 0.000 1.030 417 S CA 1.618 59.742 58.200 -0.127 0.000 1.002 417 S CB -0.440 62.697 63.200 -0.104 0.000 0.829 417 S HN 0.824 nan 8.310 nan 0.000 0.467 418 A N 0.410 123.140 122.820 -0.151 0.000 1.929 418 A HA 0.063 4.311 4.320 -0.119 0.000 0.216 418 A C 2.274 179.714 177.584 -0.241 0.000 1.176 418 A CA 1.472 53.436 52.037 -0.123 0.000 0.628 418 A CB -0.727 18.222 19.000 -0.086 0.000 0.816 418 A HN 0.442 nan 8.150 nan 0.000 0.444 419 V N -0.140 119.455 119.914 -0.533 0.000 2.379 419 V HA -0.199 3.850 4.120 -0.119 0.000 0.245 419 V C 2.585 178.527 176.094 -0.253 0.000 1.044 419 V CA 2.085 63.978 62.300 -0.678 0.000 1.036 419 V CB -0.783 30.523 31.823 -0.860 0.000 0.664 419 V HN 0.626 nan 8.190 nan 0.000 0.453 420 R N 0.004 120.391 120.500 -0.188 0.000 2.091 420 R HA -0.217 4.051 4.340 -0.119 0.000 0.238 420 R C 2.395 178.679 176.300 -0.028 0.000 1.136 420 R CA 1.893 57.939 56.100 -0.091 0.000 0.959 420 R CB -0.195 30.057 30.300 -0.080 0.000 0.856 420 R HN 0.604 nan 8.270 nan 0.000 0.437 421 Q N -1.147 118.649 119.800 -0.007 0.000 2.226 421 Q HA -0.101 4.168 4.340 -0.119 0.000 0.204 421 Q C 1.699 177.736 176.000 0.063 0.000 0.975 421 Q CA 1.857 57.688 55.803 0.046 0.000 0.866 421 Q CB 0.206 28.991 28.738 0.078 0.000 0.915 421 Q HN 0.368 nan 8.270 nan 0.000 0.440 422 T N 0.632 115.229 114.554 0.072 0.000 2.901 422 T HA 0.064 4.342 4.350 -0.119 0.000 0.252 422 T C 1.782 176.547 174.700 0.108 0.000 1.035 422 T CA 0.483 62.662 62.100 0.132 0.000 1.142 422 T CB 0.014 69.050 68.868 0.280 0.000 0.869 422 T HN 0.137 nan 8.240 nan 0.000 0.442 423 L N 0.354 121.627 121.223 0.082 0.000 2.240 423 L HA 0.163 4.432 4.340 -0.119 0.000 0.211 423 L C 2.128 179.016 176.870 0.030 0.000 1.106 423 L CA 0.909 55.786 54.840 0.063 0.000 0.793 423 L CB -0.312 41.775 42.059 0.047 0.000 0.927 423 L HN 0.239 nan 8.230 nan 0.000 0.446 424 L N -1.405 119.828 121.223 0.018 0.000 2.445 424 L HA 0.246 4.514 4.340 -0.119 0.000 0.207 424 L C 1.576 178.458 176.870 0.020 0.000 1.053 424 L CA 0.094 54.939 54.840 0.009 0.000 0.841 424 L CB -0.502 41.555 42.059 -0.004 0.000 1.074 424 L HN 0.153 nan 8.230 nan 0.000 0.479 425 G N 0.000 108.819 108.800 0.031 0.000 5.446 425 G HA2 0.000 3.888 3.960 -0.119 0.000 0.244 425 G HA3 0.000 3.888 3.960 -0.119 0.000 0.244 425 G CA 0.000 45.123 45.100 0.038 0.000 0.502 425 G HN 0.000 nan 8.290 nan 0.000 0.925