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 2vc2_1_A DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QP 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.877 176.870 0.011 0.000 1.165 1 L CA 0.000 54.847 54.840 0.012 0.000 0.813 1 L CB 0.000 42.077 42.059 0.029 0.000 0.961 2 N N -0.423 118.287 118.700 0.017 0.000 2.381 2 N HA 0.228 4.968 4.740 -0.000 0.000 0.257 2 N C -0.837 174.678 175.510 0.009 0.000 1.409 2 N CA -0.268 52.783 53.050 0.001 0.000 0.836 2 N CB -0.477 37.998 38.487 -0.021 0.000 1.384 2 N HN 0.183 nan 8.380 nan 0.000 0.490 3 L N 0.922 122.166 121.223 0.034 0.000 2.361 3 L HA 0.206 4.546 4.340 -0.000 0.000 0.278 3 L C 0.331 177.267 176.870 0.109 0.000 1.113 3 L CA -0.167 54.719 54.840 0.078 0.000 0.849 3 L CB 0.614 42.718 42.059 0.074 0.000 1.155 3 L HN 0.205 nan 8.230 nan 0.000 0.452 4 D N 6.537 127.009 120.400 0.120 0.000 2.339 4 D HA 0.077 4.717 4.640 -0.000 0.000 0.256 4 D C -1.634 174.783 176.300 0.195 0.000 1.214 4 D CA -1.303 52.760 54.000 0.106 0.000 0.877 4 D CB 1.727 42.559 40.800 0.053 0.000 1.111 4 D HN 0.307 nan 8.370 nan 0.000 0.478 5 P HA -0.015 nan 4.420 nan 0.000 0.239 5 P C 1.303 178.661 177.300 0.096 0.000 1.188 5 P CA 0.074 63.321 63.100 0.244 0.000 0.794 5 P CB 0.744 32.550 31.700 0.177 0.000 0.937 6 V N 0.226 120.162 119.914 0.037 0.000 2.500 6 V HA -0.030 4.090 4.120 -0.000 0.000 0.243 6 V C 1.598 177.655 176.094 -0.061 0.000 1.039 6 V CA 1.258 63.552 62.300 -0.010 0.000 1.053 6 V CB -1.010 30.811 31.823 -0.005 0.000 0.695 6 V HN 0.074 nan 8.190 nan 0.000 0.463 7 Q N 1.481 121.249 119.800 -0.053 0.000 3.179 7 Q HA 0.304 4.644 4.340 -0.000 0.000 0.328 7 Q C -0.241 175.668 176.000 -0.151 0.000 1.336 7 Q CA 0.205 55.961 55.803 -0.078 0.000 0.939 7 Q CB -0.177 28.548 28.738 -0.023 0.000 1.658 7 Q HN 0.516 nan 8.270 nan 0.000 0.486 8 L N 0.189 121.233 121.223 -0.298 0.000 2.468 8 L HA 0.421 4.761 4.340 -0.000 0.000 0.254 8 L C 0.469 176.990 176.870 -0.581 0.000 1.171 8 L CA -0.117 54.408 54.840 -0.525 0.000 0.809 8 L CB 0.772 42.378 42.059 -0.755 0.000 1.155 8 L HN 0.069 nan 8.230 nan 0.000 0.473 9 T N 0.736 114.945 114.554 -0.576 0.000 2.921 9 T HA 0.529 4.879 4.350 -0.000 0.000 0.297 9 T C -0.860 173.571 174.700 -0.449 0.000 1.013 9 T CA -0.344 61.467 62.100 -0.483 0.000 0.990 9 T CB 0.992 69.812 68.868 -0.081 0.000 1.023 9 T HN 0.160 nan 8.240 nan 0.000 0.447 10 F N 2.350 122.235 119.950 -0.108 0.000 2.426 10 F HA 0.520 5.047 4.527 -0.000 0.000 0.348 10 F C -0.481 175.237 175.800 -0.136 0.000 1.124 10 F CA -1.157 56.855 58.000 0.019 0.000 1.008 10 F CB 1.118 40.171 39.000 0.088 0.000 1.139 10 F HN 0.486 nan 8.300 nan 0.000 0.452 11 Y N 2.162 122.684 120.300 0.371 0.000 2.330 11 Y HA 0.636 5.186 4.550 -0.000 0.000 0.336 11 Y C 0.129 176.142 175.900 0.188 0.000 1.036 11 Y CA -0.937 57.325 58.100 0.269 0.000 1.125 11 Y CB 1.706 40.382 38.460 0.359 0.000 1.194 11 Y HN 0.616 nan 8.280 nan 0.000 0.469 12 A N 2.388 125.181 122.820 -0.046 0.000 2.330 12 A HA 0.767 5.087 4.320 -0.000 0.000 0.313 12 A C 0.187 177.157 177.584 -1.024 0.000 1.124 12 A CA -0.214 51.596 52.037 -0.377 0.000 0.774 12 A CB 0.515 19.410 19.000 -0.177 0.000 1.198 12 A HN 0.866 nan 8.150 nan 0.000 0.465 13 G N 1.437 109.300 108.800 -1.563 0.000 2.532 13 G HA2 0.687 4.647 3.960 -0.000 0.000 0.291 13 G HA3 0.687 4.647 3.960 -0.000 0.000 0.291 13 G C -2.734 171.857 174.900 -0.514 0.000 1.349 13 G CA -1.549 42.722 45.100 -1.382 0.000 1.038 13 G HN 0.534 nan 8.290 nan 0.000 0.518 14 P HA 0.216 nan 4.420 nan 0.000 0.276 14 P C -0.569 176.708 177.300 -0.038 0.000 1.261 14 P CA -0.896 62.142 63.100 -0.102 0.000 0.800 14 P CB 0.552 32.248 31.700 -0.007 0.000 1.066 15 N N 0.018 118.708 118.700 -0.017 0.000 2.454 15 N HA 0.287 5.026 4.740 -0.000 0.000 0.254 15 N C 1.486 177.016 175.510 0.034 0.000 1.228 15 N CA 1.487 54.539 53.050 0.004 0.000 0.900 15 N CB -0.614 37.873 38.487 0.000 0.000 1.089 15 N HN 0.762 nan 8.380 nan 0.000 0.449 16 G N 0.141 108.969 108.800 0.046 0.000 2.180 16 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.263 16 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.263 16 G C 0.910 175.863 174.900 0.090 0.000 0.989 16 G CA 1.084 46.222 45.100 0.063 0.000 0.692 16 G HN 0.721 nan 8.290 nan 0.000 0.526 17 S N -0.874 114.895 115.700 0.115 0.000 2.528 17 S HA 0.192 4.661 4.470 -0.000 0.000 0.219 17 S C 1.185 175.905 174.600 0.200 0.000 0.985 17 S CA 1.153 59.449 58.200 0.160 0.000 0.914 17 S CB -0.131 63.185 63.200 0.194 0.000 0.776 17 S HN 1.006 nan 8.310 nan 0.000 0.526 18 Q N -0.000 119.934 119.800 0.224 0.000 2.453 18 Q HA -0.198 4.142 4.340 -0.000 0.000 0.294 18 Q C -0.611 175.592 176.000 0.339 0.000 1.295 18 Q CA 0.453 56.446 55.803 0.316 0.000 0.853 18 Q CB -2.353 26.528 28.738 0.239 0.000 1.193 18 Q HN 0.760 nan 8.270 nan 0.000 0.461 19 F N 0.605 120.639 119.950 0.140 0.000 2.557 19 F HA 0.276 4.803 4.527 -0.000 0.000 0.384 19 F C 1.401 177.278 175.800 0.127 0.000 1.057 19 F CA 1.839 59.897 58.000 0.097 0.000 1.169 19 F CB 0.371 39.339 39.000 -0.053 0.000 1.070 19 F HN 0.316 nan 8.300 nan 0.000 0.554 20 G N 4.927 113.594 108.800 -0.222 0.000 2.163 20 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.213 20 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.213 20 G C 0.623 175.603 174.900 0.133 0.000 0.991 20 G CA 0.083 45.120 45.100 -0.105 0.000 0.653 20 G HN 0.722 nan 8.290 nan 0.000 0.518 21 F N 2.531 122.526 119.950 0.074 0.000 2.134 21 F HA 0.193 4.720 4.527 -0.000 0.000 0.299 21 F C 1.625 177.477 175.800 0.087 0.000 1.097 21 F CA 2.264 60.322 58.000 0.095 0.000 1.264 21 F CB 0.142 39.107 39.000 -0.057 0.000 1.001 21 F HN 0.522 nan 8.300 nan 0.000 0.479 22 S N 0.046 115.866 115.700 0.200 0.000 2.570 22 S HA 0.747 5.217 4.470 -0.000 0.000 0.286 22 S C -1.155 173.424 174.600 -0.034 0.000 1.099 22 S CA -0.554 57.681 58.200 0.058 0.000 0.913 22 S CB 2.506 65.764 63.200 0.097 0.000 1.085 22 S HN 0.275 nan 8.310 nan 0.000 0.480 23 L N -1.442 119.739 121.223 -0.070 0.000 2.775 23 L HA 1.003 5.343 4.340 -0.000 0.000 0.263 23 L C -1.523 175.280 176.870 -0.112 0.000 1.017 23 L CA -0.602 54.168 54.840 -0.118 0.000 0.891 23 L CB 0.971 42.928 42.059 -0.170 0.000 1.482 23 L HN 0.820 nan 8.230 nan 0.000 0.410 24 D N -0.553 119.762 120.400 -0.140 0.000 2.663 24 D HA 0.548 5.188 4.640 -0.000 0.000 0.233 24 D C -1.615 174.604 176.300 -0.135 0.000 1.240 24 D CA -0.257 53.687 54.000 -0.095 0.000 0.774 24 D CB 1.387 42.208 40.800 0.033 0.000 1.443 24 D HN 0.402 nan 8.370 nan 0.000 0.441 25 F N 1.683 121.667 119.950 0.057 0.000 2.471 25 F HA 0.366 4.893 4.527 -0.000 0.000 0.353 25 F C 0.664 176.531 175.800 0.111 0.000 1.113 25 F CA 0.182 58.220 58.000 0.062 0.000 1.262 25 F CB 0.731 39.745 39.000 0.023 0.000 1.146 25 F HN 0.290 nan 8.300 nan 0.000 0.578 26 H N 2.252 121.440 119.070 0.197 0.000 2.717 26 H HA 0.455 5.011 4.556 -0.000 0.000 0.366 26 H C -1.336 174.054 175.328 0.103 0.000 1.132 26 H CA -1.026 55.095 56.048 0.122 0.000 1.180 26 H CB 1.473 31.289 29.762 0.091 0.000 1.678 26 H HN 0.585 nan 8.280 nan 0.000 0.537 27 K N 3.537 123.567 120.400 -0.617 0.000 2.376 27 K HA 0.220 4.540 4.320 -0.000 0.000 0.257 27 K C -0.911 175.395 176.600 -0.491 0.000 0.939 27 K CA -0.921 55.144 56.287 -0.370 0.000 0.809 27 K CB 0.955 33.320 32.500 -0.225 0.000 1.121 27 K HN 0.832 nan 8.250 nan 0.000 0.425 28 D N 1.606 121.914 120.400 -0.153 0.000 2.414 28 D HA -0.045 4.595 4.640 -0.000 0.000 0.251 28 D C 1.026 177.279 176.300 -0.078 0.000 1.252 28 D CA -0.192 53.792 54.000 -0.026 0.000 0.999 28 D CB 0.702 41.581 40.800 0.131 0.000 1.093 28 D HN 0.392 nan 8.370 nan 0.000 0.515 29 S N -1.134 114.510 115.700 -0.093 0.000 2.419 29 S HA -0.239 4.231 4.470 -0.000 0.000 0.233 29 S C 1.545 176.021 174.600 -0.207 0.000 1.016 29 S CA 1.046 59.131 58.200 -0.191 0.000 0.974 29 S CB -0.951 62.093 63.200 -0.260 0.000 0.786 29 S HN 0.592 nan 8.310 nan 0.000 0.492 30 H N 1.251 120.301 119.070 -0.033 0.000 2.495 30 H HA 0.329 4.885 4.556 -0.000 0.000 0.287 30 H C 1.883 177.194 175.328 -0.028 0.000 1.033 30 H CA 0.827 56.862 56.048 -0.022 0.000 1.307 30 H CB -0.127 29.633 29.762 -0.004 0.000 1.401 30 H HN 0.620 nan 8.280 nan 0.000 0.555 31 G N 0.068 108.902 108.800 0.057 0.000 2.192 31 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.193 31 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.193 31 G C 0.317 175.228 174.900 0.020 0.000 0.999 31 G CA -0.180 44.924 45.100 0.007 0.000 0.659 31 G HN 0.346 nan 8.290 nan 0.000 0.503 32 R N 1.235 121.773 120.500 0.063 0.000 2.401 32 R HA 0.528 4.868 4.340 -0.000 0.000 0.299 32 R C 0.452 176.799 176.300 0.078 0.000 1.064 32 R CA -0.008 56.140 56.100 0.079 0.000 1.000 32 R CB 0.623 30.986 30.300 0.105 0.000 0.973 32 R HN 0.158 nan 8.270 nan 0.000 0.438 33 V N 4.457 124.421 119.914 0.083 0.000 2.583 33 V HA 0.624 4.744 4.120 -0.000 0.000 0.287 33 V C 0.508 176.723 176.094 0.202 0.000 1.051 33 V CA 0.315 62.681 62.300 0.109 0.000 1.010 33 V CB 0.918 32.775 31.823 0.056 0.000 0.988 33 V HN 0.995 nan 8.190 nan 0.000 0.478 34 A N 5.158 128.119 122.820 0.236 0.000 2.524 34 A HA 0.927 5.247 4.320 -0.000 0.000 0.286 34 A C -1.054 176.652 177.584 0.204 0.000 1.203 34 A CA -0.738 51.439 52.037 0.234 0.000 0.736 34 A CB 1.443 20.573 19.000 0.216 0.000 1.322 34 A HN 0.655 nan 8.150 nan 0.000 0.424 35 I N 0.697 121.310 120.570 0.071 0.000 2.436 35 I HA 0.403 4.573 4.170 -0.000 0.000 0.289 35 I C -0.951 175.137 176.117 -0.047 0.000 1.010 35 I CA -0.936 60.329 61.300 -0.059 0.000 1.098 35 I CB 1.977 39.849 38.000 -0.213 0.000 1.266 35 I HN 0.270 nan 8.210 nan 0.000 0.434 36 V N 7.012 126.904 119.914 -0.036 0.000 2.406 36 V HA 0.343 4.463 4.120 -0.000 0.000 0.272 36 V C 0.055 176.106 176.094 -0.072 0.000 1.043 36 V CA -0.542 61.747 62.300 -0.018 0.000 0.915 36 V CB 1.504 33.333 31.823 0.009 0.000 0.988 36 V HN 0.409 nan 8.190 nan 0.000 0.466 37 V N 3.862 123.741 119.914 -0.059 0.000 2.540 37 V HA 0.728 4.848 4.120 -0.000 0.000 0.302 37 V C 0.644 176.707 176.094 -0.052 0.000 1.035 37 V CA -0.418 61.757 62.300 -0.210 0.000 0.873 37 V CB 1.903 33.325 31.823 -0.669 0.000 0.992 37 V HN 0.946 nan 8.190 nan 0.000 0.428 38 G N 2.737 111.506 108.800 -0.051 0.000 2.348 38 G HA2 0.628 4.588 3.960 -0.000 0.000 0.312 38 G HA3 0.628 4.588 3.960 -0.000 0.000 0.312 38 G C -0.293 174.666 174.900 0.099 0.000 1.126 38 G CA -0.213 44.920 45.100 0.054 0.000 0.865 38 G HN 1.145 nan 8.290 nan 0.000 0.474 39 A N 4.508 127.450 122.820 0.204 0.000 2.893 39 A HA 0.660 4.980 4.320 -0.000 0.000 0.333 39 A C -1.441 176.237 177.584 0.156 0.000 1.152 39 A CA -1.253 50.946 52.037 0.269 0.000 0.782 39 A CB 1.542 20.880 19.000 0.563 0.000 1.108 39 A HN 0.445 nan 8.150 nan 0.000 0.469 40 P HA -0.113 nan 4.420 nan 0.000 0.225 40 P C 0.719 178.024 177.300 0.009 0.000 1.148 40 P CA 0.961 64.037 63.100 -0.041 0.000 0.779 40 P CB 0.253 31.806 31.700 -0.245 0.000 0.780 41 R N -0.809 119.713 120.500 0.037 0.000 2.509 41 R HA 0.195 4.535 4.340 -0.000 0.000 0.300 41 R C 0.204 176.553 176.300 0.082 0.000 0.985 41 R CA -0.005 56.121 56.100 0.044 0.000 1.092 41 R CB -0.012 30.303 30.300 0.025 0.000 1.237 41 R HN 0.102 nan 8.270 nan 0.000 0.546 42 T N 2.144 116.773 114.554 0.124 0.000 2.946 42 T HA 0.051 4.401 4.350 -0.000 0.000 0.311 42 T C 0.686 175.441 174.700 0.091 0.000 1.063 42 T CA 0.291 62.479 62.100 0.147 0.000 1.139 42 T CB 0.861 69.857 68.868 0.214 0.000 0.994 42 T HN 0.090 nan 8.240 nan 0.000 0.547 43 L N 2.343 123.616 121.223 0.083 0.000 2.397 43 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 43 L C 1.437 178.337 176.870 0.049 0.000 1.148 43 L CA -0.472 54.402 54.840 0.057 0.000 0.825 43 L CB 0.294 42.383 42.059 0.049 0.000 1.117 43 L HN 0.794 nan 8.230 nan 0.000 0.456 44 G N 1.757 110.579 108.800 0.036 0.000 2.588 44 G HA2 0.249 4.209 3.960 -0.000 0.000 0.278 44 G HA3 0.249 4.209 3.960 -0.000 0.000 0.278 44 G C -1.579 173.336 174.900 0.024 0.000 1.307 44 G CA -0.680 44.435 45.100 0.025 0.000 1.016 44 G HN 0.559 nan 8.290 nan 0.000 0.503 45 P HA 0.013 nan 4.420 nan 0.000 0.223 45 P C 0.945 178.256 177.300 0.018 0.000 1.151 45 P CA 0.789 63.898 63.100 0.016 0.000 0.787 45 P CB 0.386 32.092 31.700 0.010 0.000 0.788 46 S N -0.173 115.540 115.700 0.021 0.000 2.552 46 S HA 0.163 4.633 4.470 -0.000 0.000 0.246 46 S C 0.511 175.125 174.600 0.023 0.000 1.019 46 S CA -0.332 57.881 58.200 0.021 0.000 1.045 46 S CB -0.364 62.850 63.200 0.023 0.000 0.784 46 S HN 0.133 nan 8.310 nan 0.000 0.453 47 Q N 0.331 120.145 119.800 0.023 0.000 2.439 47 Q HA -0.247 4.093 4.340 -0.000 0.000 0.247 47 Q C -0.055 175.960 176.000 0.025 0.000 0.899 47 Q CA 1.123 56.940 55.803 0.024 0.000 1.201 47 Q CB -0.844 27.906 28.738 0.019 0.000 1.608 47 Q HN 0.739 nan 8.270 nan 0.000 0.563 48 E N 0.409 120.626 120.200 0.029 0.000 2.191 48 E HA 0.257 4.607 4.350 -0.000 0.000 0.274 48 E C -0.833 175.789 176.600 0.036 0.000 0.948 48 E CA -0.517 55.902 56.400 0.031 0.000 0.802 48 E CB 1.019 30.740 29.700 0.036 0.000 1.137 48 E HN 0.130 nan 8.360 nan 0.000 0.397 49 E N 2.005 122.226 120.200 0.034 0.000 2.415 49 E HA 0.001 4.351 4.350 -0.000 0.000 0.260 49 E C 0.140 176.770 176.600 0.051 0.000 1.016 49 E CA 0.588 57.012 56.400 0.039 0.000 0.924 49 E CB 0.740 30.456 29.700 0.028 0.000 0.961 49 E HN 0.656 nan 8.360 nan 0.000 0.459 50 T N -0.022 114.562 114.554 0.050 0.000 2.969 50 T HA 0.353 4.703 4.350 -0.000 0.000 0.258 50 T C 0.814 175.537 174.700 0.038 0.000 0.962 50 T CA 0.025 62.157 62.100 0.053 0.000 0.903 50 T CB 0.709 69.597 68.868 0.033 0.000 1.177 50 T HN 0.691 nan 8.240 nan 0.000 0.511 51 G N -0.273 108.550 108.800 0.039 0.000 2.746 51 G HA2 0.411 4.371 3.960 -0.000 0.000 0.685 51 G HA3 0.411 4.371 3.960 -0.000 0.000 0.685 51 G C -0.175 174.727 174.900 0.003 0.000 1.350 51 G CA -0.447 44.673 45.100 0.034 0.000 0.837 51 G HN 1.430 nan 8.290 nan 0.000 0.564 52 G N -2.126 106.687 108.800 0.021 0.000 2.608 52 G HA2 0.837 4.797 3.960 -0.000 0.000 0.291 52 G HA3 0.837 4.797 3.960 -0.000 0.000 0.291 52 G C -1.402 173.472 174.900 -0.043 0.000 1.425 52 G CA 0.354 45.418 45.100 -0.060 0.000 0.787 52 G HN 1.740 nan 8.290 nan 0.000 0.484 53 V N -0.143 119.664 119.914 -0.179 0.000 2.789 53 V HA 0.733 4.853 4.120 -0.000 0.000 0.311 53 V C -1.245 174.656 176.094 -0.322 0.000 1.073 53 V CA -0.638 61.629 62.300 -0.056 0.000 0.921 53 V CB 1.655 33.563 31.823 0.142 0.000 1.009 53 V HN 0.613 nan 8.190 nan 0.000 0.426 54 F N 3.633 123.657 119.950 0.123 0.000 2.551 54 F HA 0.692 5.219 4.527 -0.000 0.000 0.316 54 F C -0.410 175.432 175.800 0.070 0.000 1.089 54 F CA -0.803 57.282 58.000 0.141 0.000 0.915 54 F CB 2.036 41.233 39.000 0.328 0.000 1.186 54 F HN 0.283 nan 8.300 nan 0.000 0.456 55 L N 3.917 125.259 121.223 0.198 0.000 2.356 55 L HA 0.515 4.855 4.340 -0.000 0.000 0.264 55 L C -0.992 175.942 176.870 0.105 0.000 1.029 55 L CA -0.500 54.397 54.840 0.095 0.000 0.897 55 L CB 0.074 42.143 42.059 0.017 0.000 1.256 55 L HN 0.681 nan 8.230 nan 0.000 0.444 56 c N 6.130 124.766 118.600 0.059 0.000 2.499 56 c HA 0.491 5.061 4.570 -0.000 0.000 0.386 56 c C -1.948 172.153 174.090 0.019 0.000 1.293 56 c CA -0.877 55.439 56.329 -0.022 0.000 1.884 56 c CB 0.024 42.299 42.510 -0.392 0.000 2.509 56 c HN 0.591 nan 8.230 nan 0.000 0.566 57 P HA 0.075 nan 4.420 nan 0.000 0.284 57 P C -0.391 177.083 177.300 0.290 0.000 1.258 57 P CA -0.591 62.619 63.100 0.182 0.000 0.824 57 P CB 0.637 32.428 31.700 0.152 0.000 1.038 58 W N 5.134 126.525 121.300 0.152 0.000 2.322 58 W HA 0.118 4.778 4.660 -0.000 0.000 0.328 58 W C -0.871 175.781 176.519 0.221 0.000 1.395 58 W CA -0.029 57.449 57.345 0.220 0.000 1.267 58 W CB 0.349 29.913 29.460 0.172 0.000 1.259 58 W HN 0.377 nan 8.180 nan 0.000 0.560 59 R N 4.525 124.661 120.500 -0.606 0.000 2.548 59 R HA 0.294 4.634 4.340 -0.000 0.000 0.280 59 R C 0.739 176.271 176.300 -1.280 0.000 1.061 59 R CA -0.142 55.445 56.100 -0.856 0.000 0.915 59 R CB 1.816 31.932 30.300 -0.306 0.000 1.210 59 R HN 0.602 nan 8.270 nan 0.000 0.442 60 A N 2.538 124.706 122.820 -1.087 0.000 1.917 60 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 60 A C 1.760 179.077 177.584 -0.444 0.000 1.182 60 A CA 1.954 53.597 52.037 -0.656 0.000 0.633 60 A CB -0.295 18.522 19.000 -0.306 0.000 0.819 60 A HN 0.854 nan 8.150 nan 0.000 0.448 61 E N -0.319 119.652 120.200 -0.381 0.000 2.216 61 E HA 0.227 4.577 4.350 -0.000 0.000 0.192 61 E C 1.295 177.679 176.600 -0.361 0.000 0.988 61 E CA 0.896 57.121 56.400 -0.291 0.000 0.834 61 E CB -0.987 28.593 29.700 -0.200 0.000 0.772 61 E HN 0.953 nan 8.360 nan 0.000 0.479 62 G N 0.847 109.348 108.800 -0.499 0.000 2.601 62 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.261 62 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.261 62 G C 0.540 175.216 174.900 -0.373 0.000 1.289 62 G CA 0.708 45.324 45.100 -0.807 0.000 0.920 62 G HN 1.205 nan 8.290 nan 0.000 0.571 63 G N -2.978 105.644 108.800 -0.296 0.000 2.225 63 G HA2 0.447 4.407 3.960 -0.000 0.000 0.203 63 G HA3 0.447 4.407 3.960 -0.000 0.000 0.203 63 G C -0.544 174.373 174.900 0.027 0.000 1.335 63 G CA 0.483 45.540 45.100 -0.072 0.000 1.183 63 G HN 1.247 nan 8.290 nan 0.000 0.488 64 Q N -0.368 119.434 119.800 0.003 0.000 2.354 64 Q HA 0.549 4.889 4.340 -0.000 0.000 0.244 64 Q C -0.198 175.845 176.000 0.072 0.000 0.969 64 Q CA 0.113 55.899 55.803 -0.029 0.000 0.885 64 Q CB 1.407 30.120 28.738 -0.042 0.000 1.241 64 Q HN 0.670 nan 8.270 nan 0.000 0.461 65 c N 2.557 121.187 118.600 0.049 0.000 2.562 65 c HA 0.651 5.220 4.570 -0.000 0.000 0.332 65 c C -2.083 172.182 174.090 0.291 0.000 1.201 65 c CA -1.142 55.305 56.329 0.196 0.000 1.803 65 c CB 1.716 44.391 42.510 0.275 0.000 2.328 65 c HN 0.702 nan 8.230 nan 0.000 0.500 66 P HA 0.247 nan 4.420 nan 0.000 0.288 66 P C -0.856 176.565 177.300 0.202 0.000 1.267 66 P CA 0.046 63.268 63.100 0.204 0.000 0.815 66 P CB 1.076 32.841 31.700 0.109 0.000 0.989 67 S N 2.225 117.959 115.700 0.057 0.000 2.499 67 S HA 0.225 4.695 4.470 -0.000 0.000 0.275 67 S C -0.008 174.460 174.600 -0.220 0.000 1.257 67 S CA -0.622 57.434 58.200 -0.240 0.000 1.050 67 S CB -0.468 62.553 63.200 -0.298 0.000 0.937 67 S HN 0.376 nan 8.310 nan 0.000 0.490 68 L N 7.291 128.355 121.223 -0.264 0.000 2.407 68 L HA 0.362 4.702 4.340 -0.000 0.000 0.282 68 L C -0.338 176.201 176.870 -0.552 0.000 1.110 68 L CA 0.305 54.948 54.840 -0.328 0.000 0.863 68 L CB -0.058 41.866 42.059 -0.225 0.000 1.207 68 L HN 0.647 nan 8.230 nan 0.000 0.454 69 L N 5.377 126.276 121.223 -0.540 0.000 2.416 69 L HA 0.266 4.606 4.340 -0.000 0.000 0.272 69 L C -0.637 175.753 176.870 -0.800 0.000 1.161 69 L CA 0.228 54.778 54.840 -0.483 0.000 0.845 69 L CB 0.385 42.281 42.059 -0.273 0.000 1.119 69 L HN 0.473 nan 8.230 nan 0.000 0.464 70 F N 0.152 119.991 119.950 -0.185 0.000 2.613 70 F HA 0.214 4.741 4.527 -0.000 0.000 0.314 70 F C 0.074 175.771 175.800 -0.171 0.000 1.075 70 F CA -1.165 56.702 58.000 -0.223 0.000 0.945 70 F CB 1.389 40.088 39.000 -0.501 0.000 1.310 70 F HN 0.358 nan 8.300 nan 0.000 0.467 71 D N 1.708 122.187 120.400 0.131 0.000 2.358 71 D HA 0.280 4.920 4.640 -0.000 0.000 0.258 71 D C 0.176 176.526 176.300 0.083 0.000 1.223 71 D CA 0.379 54.447 54.000 0.112 0.000 0.886 71 D CB 0.503 41.411 40.800 0.181 0.000 1.120 71 D HN 0.473 nan 8.370 nan 0.000 0.482 72 L N 3.538 124.788 121.223 0.044 0.000 2.818 72 L HA 0.280 4.620 4.340 -0.000 0.000 0.243 72 L C 0.721 177.632 176.870 0.070 0.000 1.185 72 L CA -0.299 54.565 54.840 0.041 0.000 0.988 72 L CB -0.069 41.992 42.059 0.004 0.000 1.292 72 L HN 0.233 nan 8.230 nan 0.000 0.519 73 R N 0.706 121.253 120.500 0.078 0.000 2.308 73 R HA 0.200 4.540 4.340 -0.000 0.000 0.305 73 R C -0.529 175.812 176.300 0.068 0.000 1.053 73 R CA -0.694 55.444 56.100 0.063 0.000 0.957 73 R CB 0.990 31.321 30.300 0.052 0.000 1.022 73 R HN -0.026 nan 8.270 nan 0.000 0.461 74 D N 2.251 122.671 120.400 0.033 0.000 2.382 74 D HA 0.052 4.692 4.640 -0.000 0.000 0.240 74 D C -0.198 176.079 176.300 -0.039 0.000 1.146 74 D CA 0.483 54.469 54.000 -0.022 0.000 0.897 74 D CB 0.754 41.494 40.800 -0.100 0.000 1.197 74 D HN 0.356 nan 8.370 nan 0.000 0.432 75 E N -0.270 119.888 120.200 -0.069 0.000 2.266 75 E HA 0.530 4.880 4.350 -0.000 0.000 0.268 75 E C -0.908 175.631 176.600 -0.102 0.000 0.879 75 E CA -0.783 55.596 56.400 -0.035 0.000 0.762 75 E CB 2.017 31.747 29.700 0.049 0.000 1.199 75 E HN 0.152 nan 8.360 nan 0.000 0.422 76 T N 2.006 116.515 114.554 -0.075 0.000 2.861 76 T HA 0.488 4.838 4.350 -0.000 0.000 0.287 76 T C -0.911 173.765 174.700 -0.040 0.000 1.003 76 T CA -0.736 61.310 62.100 -0.090 0.000 0.977 76 T CB 1.235 70.047 68.868 -0.093 0.000 0.996 76 T HN 0.266 nan 8.240 nan 0.000 0.448 77 R N 2.691 123.170 120.500 -0.035 0.000 2.483 77 R HA 0.331 4.671 4.340 -0.000 0.000 0.303 77 R C -1.175 175.116 176.300 -0.015 0.000 0.987 77 R CA -0.694 55.403 56.100 -0.006 0.000 0.881 77 R CB 0.611 30.931 30.300 0.032 0.000 1.177 77 R HN 0.478 nan 8.270 nan 0.000 0.451 78 N N 3.586 122.279 118.700 -0.012 0.000 2.521 78 N HA 0.166 4.906 4.740 -0.000 0.000 0.236 78 N C -1.040 174.472 175.510 0.002 0.000 1.067 78 N CA -0.003 53.041 53.050 -0.009 0.000 0.939 78 N CB 1.642 40.123 38.487 -0.010 0.000 1.201 78 N HN 0.266 nan 8.380 nan 0.000 0.511 79 V N 0.114 120.034 119.914 0.009 0.000 3.007 79 V HA 0.673 4.793 4.120 -0.000 0.000 0.311 79 V C 0.683 176.788 176.094 0.020 0.000 1.120 79 V CA -0.356 61.955 62.300 0.018 0.000 0.980 79 V CB 1.679 33.519 31.823 0.029 0.000 1.033 79 V HN 0.784 nan 8.190 nan 0.000 0.429 80 G N 3.982 112.793 108.800 0.020 0.000 2.390 80 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.299 80 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.299 80 G C 0.629 175.538 174.900 0.015 0.000 1.002 80 G CA 1.119 46.231 45.100 0.020 0.000 0.979 80 G HN 1.937 nan 8.290 nan 0.000 0.513 81 S N -2.047 113.659 115.700 0.010 0.000 3.473 81 S HA -0.218 4.252 4.470 -0.000 0.000 0.339 81 S C 0.733 175.336 174.600 0.005 0.000 1.148 81 S CA 2.187 60.391 58.200 0.007 0.000 0.969 81 S CB -0.779 62.425 63.200 0.007 0.000 0.936 81 S HN 1.108 nan 8.310 nan 0.000 0.530 82 Q N -0.857 118.946 119.800 0.005 0.000 2.587 82 Q HA 0.610 4.950 4.340 -0.000 0.000 0.293 82 Q C -0.740 175.251 176.000 -0.016 0.000 1.083 82 Q CA -0.860 54.942 55.803 -0.002 0.000 0.792 82 Q CB 1.800 30.543 28.738 0.007 0.000 1.484 82 Q HN 0.193 nan 8.270 nan 0.000 0.446 83 T N 1.514 116.045 114.554 -0.038 0.000 2.833 83 T HA 0.448 4.798 4.350 -0.000 0.000 0.297 83 T C -0.524 174.092 174.700 -0.139 0.000 1.015 83 T CA -0.522 61.538 62.100 -0.067 0.000 0.963 83 T CB 0.205 69.039 68.868 -0.058 0.000 0.955 83 T HN 0.247 nan 8.240 nan 0.000 0.449 84 L N 3.462 124.592 121.223 -0.155 0.000 2.350 84 L HA 0.541 4.880 4.340 -0.000 0.000 0.275 84 L C 0.312 176.946 176.870 -0.393 0.000 1.099 84 L CA -0.618 54.021 54.840 -0.335 0.000 0.808 84 L CB 0.666 42.676 42.059 -0.081 0.000 1.149 84 L HN 0.501 nan 8.230 nan 0.000 0.442 85 Q N 1.667 121.054 119.800 -0.688 0.000 2.263 85 Q HA 0.345 4.685 4.340 -0.000 0.000 0.266 85 Q C -0.802 174.930 176.000 -0.446 0.000 1.002 85 Q CA -0.619 54.876 55.803 -0.514 0.000 0.790 85 Q CB 2.771 31.281 28.738 -0.380 0.000 1.272 85 Q HN 0.739 nan 8.270 nan 0.000 0.435 86 T N -1.021 113.356 114.554 -0.294 0.000 2.867 86 T HA 0.752 5.102 4.350 -0.000 0.000 0.282 86 T C -0.606 173.872 174.700 -0.370 0.000 1.000 86 T CA -0.441 61.647 62.100 -0.020 0.000 1.042 86 T CB 0.527 69.506 68.868 0.186 0.000 0.973 86 T HN 0.329 nan 8.240 nan 0.000 0.465 87 F N 1.435 121.497 119.950 0.187 0.000 2.577 87 F HA 0.461 4.988 4.527 -0.000 0.000 0.344 87 F C 1.066 176.974 175.800 0.180 0.000 1.145 87 F CA -0.954 57.136 58.000 0.151 0.000 0.996 87 F CB 2.105 41.185 39.000 0.133 0.000 1.248 87 F HN 0.593 nan 8.300 nan 0.000 0.447 88 K N 1.676 122.243 120.400 0.278 0.000 2.374 88 K HA 0.345 4.665 4.320 -0.000 0.000 0.196 88 K C 0.720 177.441 176.600 0.202 0.000 1.023 88 K CA -0.097 56.334 56.287 0.241 0.000 1.103 88 K CB 0.554 33.174 32.500 0.200 0.000 0.848 88 K HN 0.561 nan 8.250 nan 0.000 0.528 89 A N 1.888 124.826 122.820 0.196 0.000 2.524 89 A HA 0.091 4.411 4.320 -0.000 0.000 0.250 89 A C -0.007 177.660 177.584 0.138 0.000 1.078 89 A CA 0.124 52.243 52.037 0.137 0.000 0.761 89 A CB -0.220 18.847 19.000 0.111 0.000 1.012 89 A HN 0.507 nan 8.150 nan 0.000 0.500 90 R N 0.249 120.816 120.500 0.111 0.000 3.651 90 R HA -0.250 4.090 4.340 -0.000 0.000 0.292 90 R C 1.232 177.664 176.300 0.221 0.000 1.161 90 R CA 1.237 57.402 56.100 0.108 0.000 0.787 90 R CB -1.879 28.446 30.300 0.042 0.000 1.249 90 R HN 1.024 nan 8.270 nan 0.000 0.476 91 Q N -0.104 119.843 119.800 0.244 0.000 2.311 91 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 91 Q C 1.146 177.345 176.000 0.332 0.000 0.954 91 Q CA 0.961 56.948 55.803 0.305 0.000 0.885 91 Q CB 0.388 29.270 28.738 0.239 0.000 0.963 91 Q HN 0.441 nan 8.270 nan 0.000 0.471 92 G N 1.977 110.943 108.800 0.278 0.000 2.256 92 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.272 92 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.272 92 G C -0.325 174.585 174.900 0.017 0.000 1.076 92 G CA 0.102 45.348 45.100 0.243 0.000 0.882 92 G HN 0.413 nan 8.290 nan 0.000 0.497 93 L N 0.155 121.381 121.223 0.005 0.000 2.584 93 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 93 L C 1.471 178.290 176.870 -0.084 0.000 1.195 93 L CA 1.763 56.561 54.840 -0.071 0.000 0.920 93 L CB 0.326 42.288 42.059 -0.163 0.000 1.173 93 L HN 1.744 nan 8.230 nan 0.000 0.489 94 G N 3.063 111.799 108.800 -0.106 0.000 2.131 94 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.223 94 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.223 94 G C 0.812 175.675 174.900 -0.062 0.000 0.990 94 G CA 0.297 45.360 45.100 -0.062 0.000 0.671 94 G HN 1.326 nan 8.290 nan 0.000 0.521 95 A N -0.495 122.222 122.820 -0.172 0.000 2.121 95 A HA 0.546 4.866 4.320 -0.000 0.000 0.218 95 A C 1.516 179.080 177.584 -0.035 0.000 1.154 95 A CA 2.095 53.987 52.037 -0.241 0.000 0.679 95 A CB -0.146 18.522 19.000 -0.552 0.000 0.795 95 A HN 2.171 nan 8.150 nan 0.000 0.458 96 S N -1.152 114.491 115.700 -0.096 0.000 2.543 96 S HA 0.547 5.017 4.470 -0.000 0.000 0.271 96 S C -1.034 173.531 174.600 -0.059 0.000 1.148 96 S CA -0.066 58.092 58.200 -0.070 0.000 0.914 96 S CB 1.359 64.476 63.200 -0.137 0.000 1.096 96 S HN 1.286 nan 8.310 nan 0.000 0.471 97 V N 0.301 120.197 119.914 -0.029 0.000 2.524 97 V HA 0.925 5.045 4.120 -0.000 0.000 0.297 97 V C -0.569 175.531 176.094 0.009 0.000 1.035 97 V CA -0.669 61.624 62.300 -0.011 0.000 0.867 97 V CB 0.796 32.619 31.823 0.000 0.000 1.004 97 V HN 1.069 nan 8.190 nan 0.000 0.426 98 V N 3.578 123.511 119.914 0.031 0.000 2.769 98 V HA 0.848 4.968 4.120 -0.000 0.000 0.312 98 V C -0.001 176.174 176.094 0.135 0.000 1.061 98 V CA 0.221 62.562 62.300 0.069 0.000 0.931 98 V CB 2.448 34.299 31.823 0.047 0.000 1.010 98 V HN 1.291 nan 8.190 nan 0.000 0.433 99 S N 5.231 121.045 115.700 0.189 0.000 2.509 99 S HA 0.736 5.206 4.470 -0.000 0.000 0.297 99 S C -1.598 173.204 174.600 0.336 0.000 1.118 99 S CA -0.491 57.879 58.200 0.284 0.000 1.074 99 S CB 1.178 64.572 63.200 0.325 0.000 1.038 99 S HN 0.891 nan 8.310 nan 0.000 0.498 100 W N 4.137 125.519 121.300 0.137 0.000 3.211 100 W HA 0.487 5.147 4.660 -0.000 0.000 0.335 100 W C 0.398 176.959 176.519 0.069 0.000 1.113 100 W CA 0.446 57.839 57.345 0.079 0.000 1.235 100 W CB 1.066 30.563 29.460 0.061 0.000 1.365 100 W HN 0.953 nan 8.180 nan 0.000 0.476 101 S N 2.690 117.874 115.700 -0.860 0.000 4.150 101 S HA -0.375 4.095 4.470 -0.000 0.000 0.541 101 S C 0.683 175.069 174.600 -0.357 0.000 1.860 101 S CA 2.435 60.156 58.200 -0.798 0.000 4.226 101 S CB -1.237 61.173 63.200 -1.316 0.000 0.445 101 S HN 0.959 nan 8.310 nan 0.000 0.470 102 D N 1.857 122.128 120.400 -0.214 0.000 2.643 102 D HA 0.487 5.127 4.640 -0.000 0.000 0.244 102 D C -0.078 176.331 176.300 0.181 0.000 1.257 102 D CA -0.069 53.931 54.000 0.001 0.000 0.831 102 D CB -0.027 40.735 40.800 -0.064 0.000 1.043 102 D HN 0.373 nan 8.370 nan 0.000 0.488 103 V N 0.504 120.576 119.914 0.264 0.000 2.823 103 V HA 0.483 4.603 4.120 -0.000 0.000 0.312 103 V C -0.112 176.183 176.094 0.335 0.000 1.072 103 V CA -0.883 61.612 62.300 0.324 0.000 0.937 103 V CB 2.536 34.615 31.823 0.428 0.000 1.013 103 V HN 0.084 nan 8.190 nan 0.000 0.430 104 I N 3.031 123.749 120.570 0.248 0.000 2.509 104 I HA 0.549 4.719 4.170 -0.000 0.000 0.293 104 I C -0.999 175.232 176.117 0.189 0.000 1.020 104 I CA -0.926 60.486 61.300 0.186 0.000 1.088 104 I CB 2.268 40.313 38.000 0.075 0.000 1.267 104 I HN 0.237 nan 8.210 nan 0.000 0.430 105 V N 5.187 125.178 119.914 0.128 0.000 2.325 105 V HA 0.562 4.681 4.120 -0.000 0.000 0.280 105 V C 0.141 176.234 176.094 -0.001 0.000 1.016 105 V CA -0.520 61.812 62.300 0.054 0.000 0.818 105 V CB 1.219 33.060 31.823 0.030 0.000 1.019 105 V HN 0.805 nan 8.190 nan 0.000 0.434 106 A N 4.099 126.885 122.820 -0.057 0.000 2.292 106 A HA 0.742 5.062 4.320 -0.000 0.000 0.319 106 A C -0.227 177.292 177.584 -0.109 0.000 1.206 106 A CA -0.312 51.661 52.037 -0.107 0.000 0.835 106 A CB 0.784 19.673 19.000 -0.185 0.000 1.164 106 A HN 0.803 nan 8.150 nan 0.000 0.505 107 c N 1.511 120.044 118.600 -0.111 0.000 2.435 107 c HA 0.806 5.376 4.570 -0.000 0.000 0.333 107 c C 0.834 174.838 174.090 -0.144 0.000 1.202 107 c CA -0.345 55.907 56.329 -0.129 0.000 1.830 107 c CB 1.118 43.520 42.510 -0.181 0.000 2.326 107 c HN 0.985 nan 8.230 nan 0.000 0.507 108 A N 3.255 126.012 122.820 -0.106 0.000 2.654 108 A HA 0.569 4.888 4.320 -0.000 0.000 0.345 108 A C -1.893 175.526 177.584 -0.274 0.000 1.368 108 A CA -0.991 50.977 52.037 -0.114 0.000 0.895 108 A CB 0.097 19.170 19.000 0.122 0.000 1.143 108 A HN 0.668 nan 8.150 nan 0.000 0.490 109 P HA -0.109 nan 4.420 nan 0.000 0.219 109 P C 0.497 177.406 177.300 -0.653 0.000 1.146 109 P CA 1.151 63.791 63.100 -0.766 0.000 0.808 109 P CB 0.158 31.049 31.700 -1.347 0.000 0.779 110 W N -0.387 120.900 121.300 -0.021 0.000 3.067 110 W HA 0.338 4.998 4.660 -0.000 0.000 0.417 110 W C 0.330 176.881 176.519 0.052 0.000 1.029 110 W CA -0.487 56.853 57.345 -0.009 0.000 1.992 110 W CB -1.073 28.419 29.460 0.053 0.000 1.122 110 W HN 0.088 nan 8.180 nan 0.000 0.681 111 Q N 1.304 121.189 119.800 0.142 0.000 2.289 111 Q HA -0.004 4.336 4.340 -0.000 0.000 0.273 111 Q C -0.569 175.536 176.000 0.175 0.000 1.029 111 Q CA 0.753 56.680 55.803 0.206 0.000 0.896 111 Q CB 0.568 29.378 28.738 0.120 0.000 1.182 111 Q HN 0.160 nan 8.270 nan 0.000 0.385 112 H N 2.611 121.840 119.070 0.266 0.000 2.517 112 H HA 0.503 5.059 4.556 -0.000 0.000 0.346 112 H C -1.114 174.517 175.328 0.505 0.000 1.222 112 H CA -0.211 56.010 56.048 0.289 0.000 1.314 112 H CB 1.032 30.881 29.762 0.145 0.000 1.609 112 H HN 0.653 nan 8.280 nan 0.000 0.571 113 W N 2.019 123.519 121.300 0.332 0.000 3.479 113 W HA 0.338 4.998 4.660 -0.000 0.000 0.304 113 W C -2.009 174.662 176.519 0.252 0.000 1.243 113 W CA -0.373 57.144 57.345 0.287 0.000 1.202 113 W CB 2.072 31.580 29.460 0.080 0.000 1.346 113 W HN 0.565 nan 8.180 nan 0.000 0.539 114 N N 2.374 120.821 118.700 -0.421 0.000 2.494 114 N HA 0.663 5.403 4.740 -0.000 0.000 0.270 114 N C -2.215 172.908 175.510 -0.645 0.000 1.285 114 N CA -0.402 52.434 53.050 -0.357 0.000 0.812 114 N CB 2.623 41.102 38.487 -0.015 0.000 1.557 114 N HN 0.131 nan 8.380 nan 0.000 0.487 115 V N 2.261 121.983 119.914 -0.320 0.000 2.569 115 V HA 0.501 4.621 4.120 -0.000 0.000 0.301 115 V C -0.472 175.572 176.094 -0.083 0.000 1.044 115 V CA -0.679 61.486 62.300 -0.225 0.000 0.874 115 V CB 1.495 33.258 31.823 -0.099 0.000 1.002 115 V HN 0.481 nan 8.190 nan 0.000 0.424 116 L N 3.837 125.018 121.223 -0.071 0.000 2.322 116 L HA 0.740 5.080 4.340 -0.000 0.000 0.279 116 L C -0.117 176.745 176.870 -0.014 0.000 1.036 116 L CA -0.350 54.474 54.840 -0.026 0.000 0.807 116 L CB 1.812 43.859 42.059 -0.020 0.000 1.226 116 L HN 0.707 nan 8.230 nan 0.000 0.433 117 E N 4.230 124.431 120.200 0.001 0.000 2.432 117 E HA 0.269 4.619 4.350 -0.000 0.000 0.272 117 E C -0.855 175.751 176.600 0.008 0.000 0.937 117 E CA -0.409 55.994 56.400 0.005 0.000 0.812 117 E CB 0.960 30.666 29.700 0.010 0.000 1.377 117 E HN 0.608 nan 8.360 nan 0.000 0.399 118 K N 0.090 120.494 120.400 0.006 0.000 1.867 118 K HA -0.263 4.057 4.320 -0.000 0.000 0.140 118 K C 0.877 177.483 176.600 0.010 0.000 1.408 118 K CA 1.915 58.206 56.287 0.007 0.000 0.461 118 K CB -1.616 30.889 32.500 0.008 0.000 0.594 118 K HN 0.666 nan 8.250 nan 0.000 0.888 119 T N 0.267 114.828 114.554 0.012 0.000 3.194 119 T HA 0.105 4.455 4.350 -0.000 0.000 0.251 119 T C 0.356 175.068 174.700 0.020 0.000 1.132 119 T CA 0.519 62.628 62.100 0.015 0.000 1.028 119 T CB -0.144 68.733 68.868 0.015 0.000 0.976 119 T HN 0.305 nan 8.240 nan 0.000 0.535 120 E N 1.194 121.408 120.200 0.022 0.000 2.232 120 E HA 0.559 4.909 4.350 -0.000 0.000 0.264 120 E C -0.412 176.208 176.600 0.033 0.000 0.973 120 E CA -0.913 55.506 56.400 0.032 0.000 0.849 120 E CB 1.473 31.194 29.700 0.034 0.000 1.198 120 E HN 0.699 nan 8.360 nan 0.000 0.407 121 E N -0.738 119.492 120.200 0.049 0.000 2.433 121 E HA 0.558 4.908 4.350 -0.000 0.000 0.278 121 E C -0.629 176.023 176.600 0.088 0.000 0.976 121 E CA -0.878 55.550 56.400 0.048 0.000 0.793 121 E CB 1.261 30.981 29.700 0.033 0.000 1.311 121 E HN 0.393 nan 8.360 nan 0.000 0.460 122 A N 1.432 124.306 122.820 0.089 0.000 2.119 122 A HA 0.057 4.376 4.320 -0.000 0.000 0.216 122 A C -0.036 177.627 177.584 0.131 0.000 1.152 122 A CA 1.054 53.188 52.037 0.161 0.000 0.708 122 A CB -0.686 18.420 19.000 0.177 0.000 0.805 122 A HN 0.661 nan 8.150 nan 0.000 0.460 123 E N -1.441 118.811 120.200 0.086 0.000 7.544 123 E HA -0.103 4.247 4.350 -0.000 0.000 0.387 123 E C -0.665 175.978 176.600 0.071 0.000 0.583 123 E CA 0.119 56.567 56.400 0.080 0.000 1.114 123 E CB -0.473 29.296 29.700 0.116 0.000 0.941 123 E HN 0.498 nan 8.360 nan 0.000 0.262 124 K N 2.663 123.085 120.400 0.037 0.000 2.363 124 K HA 0.211 4.531 4.320 -0.000 0.000 0.289 124 K C -0.475 176.234 176.600 0.182 0.000 1.063 124 K CA 0.791 57.095 56.287 0.028 0.000 0.967 124 K CB 0.352 32.752 32.500 -0.168 0.000 0.987 124 K HN 0.472 nan 8.250 nan 0.000 0.473 125 T N 1.525 116.227 114.554 0.247 0.000 2.900 125 T HA 0.430 4.779 4.350 -0.000 0.000 0.303 125 T C -2.923 171.728 174.700 -0.080 0.000 1.142 125 T CA -2.067 60.150 62.100 0.195 0.000 1.007 125 T CB 1.896 70.848 68.868 0.141 0.000 1.156 125 T HN 0.322 nan 8.240 nan 0.000 0.490 126 P HA 0.230 nan 4.420 nan 0.000 0.256 126 P C 1.336 178.499 177.300 -0.228 0.000 1.689 126 P CA -0.534 62.244 63.100 -0.537 0.000 1.124 126 P CB 0.450 31.906 31.700 -0.405 0.000 1.766 127 V N 0.950 120.753 119.914 -0.186 0.000 2.719 127 V HA 0.244 4.364 4.120 -0.000 0.000 0.252 127 V C 0.995 176.926 176.094 -0.272 0.000 1.065 127 V CA 1.049 63.199 62.300 -0.249 0.000 1.086 127 V CB -1.837 29.801 31.823 -0.308 0.000 0.700 127 V HN 0.693 nan 8.190 nan 0.000 0.467 128 G N -0.461 108.204 108.800 -0.225 0.000 2.781 128 G HA2 0.156 4.116 3.960 -0.000 0.000 0.683 128 G HA3 0.156 4.116 3.960 -0.000 0.000 0.683 128 G C -0.375 174.353 174.900 -0.287 0.000 1.390 128 G CA 0.081 45.032 45.100 -0.248 0.000 0.850 128 G HN 1.693 nan 8.290 nan 0.000 0.557 129 S N -1.595 113.928 115.700 -0.296 0.000 2.558 129 S HA 0.594 5.064 4.470 -0.000 0.000 0.277 129 S C -0.515 173.852 174.600 -0.389 0.000 1.143 129 S CA 0.121 58.089 58.200 -0.387 0.000 0.865 129 S CB 1.001 63.934 63.200 -0.445 0.000 1.102 129 S HN 1.601 nan 8.310 nan 0.000 0.454 130 c N 3.602 121.974 118.600 -0.379 0.000 2.355 130 c HA 0.696 5.266 4.570 -0.000 0.000 0.332 130 c C -0.734 173.088 174.090 -0.447 0.000 1.255 130 c CA -0.624 55.529 56.329 -0.293 0.000 1.792 130 c CB -0.368 42.059 42.510 -0.138 0.000 2.300 130 c HN 0.731 nan 8.230 nan 0.000 0.515 131 F N 3.177 122.933 119.950 -0.324 0.000 2.410 131 F HA 0.574 5.101 4.527 -0.000 0.000 0.349 131 F C 0.094 175.717 175.800 -0.295 0.000 1.117 131 F CA -0.566 57.192 58.000 -0.403 0.000 1.104 131 F CB 0.547 39.048 39.000 -0.832 0.000 1.122 131 F HN 0.207 nan 8.300 nan 0.000 0.483 132 L N 3.568 124.761 121.223 -0.050 0.000 2.309 132 L HA 0.793 5.133 4.340 -0.000 0.000 0.282 132 L C -0.118 176.935 176.870 0.305 0.000 1.036 132 L CA -0.497 54.361 54.840 0.029 0.000 0.806 132 L CB 1.577 43.444 42.059 -0.319 0.000 1.220 132 L HN 0.721 nan 8.230 nan 0.000 0.429 133 A N 2.641 125.718 122.820 0.428 0.000 2.393 133 A HA 0.663 4.983 4.320 -0.000 0.000 0.306 133 A C -0.880 176.887 177.584 0.306 0.000 1.050 133 A CA -0.515 51.754 52.037 0.386 0.000 0.724 133 A CB 1.382 20.562 19.000 0.300 0.000 1.248 133 A HN 0.652 nan 8.150 nan 0.000 0.424 134 Q N 3.330 123.260 119.800 0.216 0.000 2.506 134 Q HA 0.355 4.694 4.340 -0.000 0.000 0.242 134 Q C -2.094 173.927 176.000 0.036 0.000 1.060 134 Q CA -2.062 53.790 55.803 0.082 0.000 0.826 134 Q CB 1.161 29.851 28.738 -0.080 0.000 1.169 134 Q HN 0.471 nan 8.270 nan 0.000 0.521 135 P HA -0.177 nan 4.420 nan 0.000 0.215 135 P C 0.076 177.383 177.300 0.011 0.000 1.153 135 P CA 1.303 64.402 63.100 -0.003 0.000 0.853 135 P CB 0.314 32.003 31.700 -0.018 0.000 0.788 136 E N -0.704 119.516 120.200 0.032 0.000 2.478 136 E HA -0.064 4.286 4.350 -0.000 0.000 0.198 136 E C 1.648 178.252 176.600 0.006 0.000 1.046 136 E CA 1.137 57.555 56.400 0.029 0.000 0.870 136 E CB -0.187 29.535 29.700 0.035 0.000 0.818 136 E HN 0.387 nan 8.360 nan 0.000 0.527 137 S N -1.894 113.801 115.700 -0.008 0.000 2.599 137 S HA 0.273 4.743 4.470 -0.000 0.000 0.236 137 S C 1.674 176.270 174.600 -0.007 0.000 1.077 137 S CA 0.268 58.459 58.200 -0.015 0.000 0.906 137 S CB 0.887 64.064 63.200 -0.039 0.000 0.804 137 S HN 0.268 nan 8.310 nan 0.000 0.497 138 G N 1.666 110.464 108.800 -0.003 0.000 2.176 138 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.232 138 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.232 138 G C 0.051 174.970 174.900 0.032 0.000 0.986 138 G CA -0.254 44.845 45.100 -0.001 0.000 0.643 138 G HN 0.545 nan 8.290 nan 0.000 0.522 139 R N 0.384 120.915 120.500 0.052 0.000 2.590 139 R HA 0.484 4.824 4.340 -0.000 0.000 0.274 139 R C 0.206 176.658 176.300 0.255 0.000 1.061 139 R CA 0.133 56.310 56.100 0.130 0.000 1.081 139 R CB 0.361 30.698 30.300 0.062 0.000 0.984 139 R HN 0.111 nan 8.270 nan 0.000 0.448 140 R N 0.733 121.402 120.500 0.282 0.000 2.686 140 R HA 0.648 4.988 4.340 -0.000 0.000 0.283 140 R C -1.016 175.330 176.300 0.076 0.000 0.978 140 R CA -0.837 55.411 56.100 0.247 0.000 0.897 140 R CB 2.314 32.727 30.300 0.189 0.000 1.192 140 R HN 0.744 nan 8.270 nan 0.000 0.457 141 A N 1.621 124.269 122.820 -0.287 0.000 2.566 141 A HA 0.726 5.045 4.320 -0.000 0.000 0.292 141 A C -1.051 175.996 177.584 -0.894 0.000 1.112 141 A CA -0.696 50.785 52.037 -0.927 0.000 0.707 141 A CB 2.038 20.408 19.000 -1.049 0.000 1.302 141 A HN 0.645 nan 8.150 nan 0.000 0.409 142 E N -0.824 118.697 120.200 -1.132 0.000 2.378 142 E HA 0.573 4.923 4.350 -0.000 0.000 0.265 142 E C -2.123 174.503 176.600 0.044 0.000 0.932 142 E CA -0.585 55.521 56.400 -0.489 0.000 0.795 142 E CB 2.557 32.035 29.700 -0.369 0.000 1.296 142 E HN 0.528 nan 8.360 nan 0.000 0.438 143 Y N 0.399 120.607 120.300 -0.153 0.000 2.298 143 Y HA 0.272 4.822 4.550 -0.000 0.000 0.322 143 Y C -1.297 174.425 175.900 -0.297 0.000 1.138 143 Y CA -0.639 57.388 58.100 -0.121 0.000 1.127 143 Y CB 1.787 40.148 38.460 -0.164 0.000 1.178 143 Y HN 0.390 nan 8.280 nan 0.000 0.428 144 S N 8.419 123.681 115.700 -0.729 0.000 2.204 144 S HA 0.332 4.802 4.470 -0.000 0.000 0.147 144 S C -2.203 171.848 174.600 -0.914 0.000 1.711 144 S CA -1.137 56.603 58.200 -0.766 0.000 1.274 144 S CB 0.509 63.338 63.200 -0.618 0.000 1.257 144 S HN 0.593 nan 8.310 nan 0.000 0.404 145 P HA 0.137 nan 4.420 nan 0.000 0.237 145 P C 0.790 177.743 177.300 -0.578 0.000 1.178 145 P CA 0.401 63.003 63.100 -0.830 0.000 0.766 145 P CB -0.185 30.998 31.700 -0.861 0.000 0.876 146 c N -0.662 117.598 118.600 -0.567 0.000 2.799 146 c HA 0.246 4.816 4.570 -0.000 0.000 0.267 146 c C 1.343 175.135 174.090 -0.497 0.000 1.257 146 c CA -0.448 55.602 56.329 -0.465 0.000 1.702 146 c CB -1.197 41.053 42.510 -0.434 0.000 1.934 146 c HN 0.183 nan 8.230 nan 0.000 0.594 147 R N 1.360 121.433 120.500 -0.710 0.000 2.522 147 R HA 0.402 4.741 4.340 -0.000 0.000 0.284 147 R C 0.534 176.539 176.300 -0.492 0.000 1.032 147 R CA 0.575 56.085 56.100 -0.984 0.000 1.049 147 R CB 0.221 29.572 30.300 -1.582 0.000 0.956 147 R HN 0.536 nan 8.270 nan 0.000 0.422 148 G N 0.715 109.440 108.800 -0.125 0.000 2.818 148 G HA2 0.241 4.201 3.960 -0.000 0.000 0.286 148 G HA3 0.241 4.201 3.960 -0.000 0.000 0.286 148 G C -0.700 174.384 174.900 0.307 0.000 1.364 148 G CA -0.744 44.406 45.100 0.084 0.000 0.938 148 G HN 0.690 nan 8.290 nan 0.000 0.490 149 N N -0.877 117.939 118.700 0.193 0.000 2.517 149 N HA 0.189 4.928 4.740 -0.000 0.000 0.285 149 N C -0.484 175.090 175.510 0.106 0.000 1.528 149 N CA -0.413 52.743 53.050 0.178 0.000 0.892 149 N CB 0.872 39.440 38.487 0.134 0.000 1.356 149 N HN 0.219 nan 8.380 nan 0.000 0.495 150 T N 1.182 115.807 114.554 0.119 0.000 2.795 150 T HA 0.425 4.775 4.350 -0.000 0.000 0.282 150 T C 0.377 175.146 174.700 0.115 0.000 0.980 150 T CA -0.511 61.593 62.100 0.005 0.000 1.012 150 T CB 1.260 69.989 68.868 -0.233 0.000 0.936 150 T HN 0.134 nan 8.240 nan 0.000 0.457 151 L N 2.026 123.279 121.223 0.050 0.000 2.418 151 L HA 0.246 4.586 4.340 -0.000 0.000 0.265 151 L C 2.083 179.080 176.870 0.211 0.000 1.143 151 L CA -0.346 54.565 54.840 0.119 0.000 0.809 151 L CB 0.791 42.886 42.059 0.060 0.000 1.124 151 L HN 0.721 nan 8.230 nan 0.000 0.456 152 S N 1.734 117.585 115.700 0.251 0.000 2.381 152 S HA -0.288 4.182 4.470 -0.000 0.000 0.230 152 S C 2.053 176.816 174.600 0.271 0.000 1.052 152 S CA 2.270 60.655 58.200 0.309 0.000 1.068 152 S CB -0.208 63.111 63.200 0.198 0.000 0.918 152 S HN 0.722 nan 8.310 nan 0.000 0.448 153 R N 0.088 120.674 120.500 0.144 0.000 2.081 153 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 153 R C 2.093 178.409 176.300 0.027 0.000 1.131 153 R CA 1.807 57.953 56.100 0.076 0.000 0.960 153 R CB -0.363 29.963 30.300 0.043 0.000 0.856 153 R HN 0.442 nan 8.270 nan 0.000 0.436 154 I N 0.586 121.149 120.570 -0.011 0.000 2.361 154 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 154 I C 1.826 177.857 176.117 -0.142 0.000 1.133 154 I CA 1.309 62.544 61.300 -0.108 0.000 1.413 154 I CB -1.374 36.515 38.000 -0.184 0.000 1.073 154 I HN 0.173 nan 8.210 nan 0.000 0.424 155 Y N 0.722 121.006 120.300 -0.026 0.000 2.145 155 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 155 Y C 2.733 178.389 175.900 -0.406 0.000 1.145 155 Y CA 1.203 59.260 58.100 -0.073 0.000 1.148 155 Y CB -1.107 37.417 38.460 0.107 0.000 0.981 155 Y HN -0.113 nan 8.280 nan 0.000 0.507 156 V N 0.241 120.007 119.914 -0.247 0.000 2.332 156 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 156 V C 1.973 177.874 176.094 -0.321 0.000 1.055 156 V CA 2.126 64.128 62.300 -0.497 0.000 1.038 156 V CB -0.565 31.169 31.823 -0.148 0.000 0.651 156 V HN 0.448 nan 8.190 nan 0.000 0.450 157 E N 0.343 120.444 120.200 -0.164 0.000 2.204 157 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 157 E C 0.966 177.504 176.600 -0.103 0.000 0.989 157 E CA 0.981 57.318 56.400 -0.106 0.000 0.824 157 E CB -0.121 29.539 29.700 -0.066 0.000 0.756 157 E HN 0.583 nan 8.360 nan 0.000 0.477 158 N N 1.307 119.936 118.700 -0.119 0.000 2.321 158 N HA 0.001 4.741 4.740 -0.000 0.000 0.242 158 N C -0.905 174.568 175.510 -0.063 0.000 1.141 158 N CA 0.165 53.181 53.050 -0.056 0.000 0.864 158 N CB 0.586 39.072 38.487 -0.001 0.000 1.100 158 N HN -0.020 nan 8.380 nan 0.000 0.510 159 D N 0.663 120.959 120.400 -0.173 0.000 2.701 159 D HA -0.240 4.399 4.640 -0.000 0.000 0.235 159 D C -0.275 176.046 176.300 0.035 0.000 1.155 159 D CA 0.506 54.432 54.000 -0.124 0.000 0.649 159 D CB -1.646 39.155 40.800 0.001 0.000 1.050 159 D HN 0.379 nan 8.370 nan 0.000 0.425 160 F N -2.166 117.860 119.950 0.126 0.000 3.084 160 F HA -0.308 4.219 4.527 -0.000 0.000 0.286 160 F C 1.203 177.108 175.800 0.175 0.000 0.855 160 F CA 0.771 58.891 58.000 0.199 0.000 1.091 160 F CB -2.418 36.633 39.000 0.085 0.000 1.177 160 F HN 0.160 nan 8.300 nan 0.000 0.542 161 S N -1.425 114.420 115.700 0.243 0.000 2.562 161 S HA 0.256 4.726 4.470 -0.000 0.000 0.281 161 S C 0.179 174.975 174.600 0.326 0.000 1.333 161 S CA 0.017 58.286 58.200 0.115 0.000 1.052 161 S CB 0.274 63.565 63.200 0.151 0.000 0.884 161 S HN 0.496 nan 8.310 nan 0.000 0.506 162 W N -0.330 121.104 121.300 0.223 0.000 5.121 162 W HA -0.168 4.492 4.660 -0.000 0.000 0.372 162 W C -0.227 176.539 176.519 0.411 0.000 1.394 162 W CA 0.596 58.147 57.345 0.342 0.000 0.885 162 W CB -1.962 27.621 29.460 0.205 0.000 2.520 162 W HN 0.826 nan 8.180 nan 0.000 1.455 163 D N 1.232 121.932 120.400 0.499 0.000 2.402 163 D HA 0.154 4.794 4.640 -0.000 0.000 0.235 163 D C 0.870 177.107 176.300 -0.104 0.000 1.226 163 D CA 0.161 54.292 54.000 0.219 0.000 0.918 163 D CB 0.545 41.472 40.800 0.212 0.000 1.043 163 D HN 0.255 nan 8.370 nan 0.000 0.506 164 K N 2.739 123.027 120.400 -0.188 0.000 2.446 164 K HA 0.170 4.490 4.320 -0.000 0.000 0.203 164 K C 1.534 177.804 176.600 -0.550 0.000 1.027 164 K CA -0.227 55.822 56.287 -0.397 0.000 1.166 164 K CB 0.796 33.117 32.500 -0.298 0.000 0.869 164 K HN 0.221 nan 8.250 nan 0.000 0.504 165 R N -0.023 119.963 120.500 -0.857 0.000 2.148 165 R HA -0.097 4.243 4.340 -0.000 0.000 0.227 165 R C 0.545 176.335 176.300 -0.849 0.000 1.103 165 R CA 1.237 56.790 56.100 -0.911 0.000 0.983 165 R CB 0.036 29.647 30.300 -1.149 0.000 0.874 165 R HN 0.275 nan 8.270 nan 0.000 0.451 166 Y N -2.581 117.480 120.300 -0.397 0.000 2.636 166 Y HA 0.203 4.753 4.550 -0.000 0.000 0.260 166 Y C 1.678 177.358 175.900 -0.367 0.000 1.177 166 Y CA -1.377 56.478 58.100 -0.408 0.000 1.209 166 Y CB -0.851 37.194 38.460 -0.692 0.000 1.166 166 Y HN -0.061 nan 8.280 nan 0.000 0.531 167 c N 0.943 119.347 118.600 -0.327 0.000 2.336 167 c HA -0.306 4.264 4.570 -0.000 0.000 0.272 167 c C 1.378 175.346 174.090 -0.204 0.000 1.160 167 c CA 2.185 58.339 56.329 -0.292 0.000 1.783 167 c CB -0.814 41.493 42.510 -0.338 0.000 2.050 167 c HN 0.735 nan 8.230 nan 0.000 0.443 168 E N -0.876 119.211 120.200 -0.189 0.000 2.340 168 E HA -0.213 4.137 4.350 -0.000 0.000 0.240 168 E C 0.117 176.598 176.600 -0.199 0.000 1.154 168 E CA 0.055 56.348 56.400 -0.178 0.000 0.717 168 E CB -1.601 28.055 29.700 -0.072 0.000 1.250 168 E HN 0.795 nan 8.360 nan 0.000 0.386 169 A N 0.212 122.884 122.820 -0.247 0.000 2.587 169 A HA 0.343 4.663 4.320 -0.000 0.000 0.235 169 A C 1.714 179.161 177.584 -0.228 0.000 1.044 169 A CA 1.229 53.116 52.037 -0.249 0.000 0.754 169 A CB 0.050 18.851 19.000 -0.331 0.000 0.968 169 A HN 1.206 nan 8.150 nan 0.000 0.509 170 G N 1.150 109.846 108.800 -0.174 0.000 2.176 170 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.253 170 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.253 170 G C 0.754 175.547 174.900 -0.178 0.000 0.979 170 G CA 0.861 45.860 45.100 -0.170 0.000 0.641 170 G HN 1.367 nan 8.290 nan 0.000 0.530 171 F N 2.582 122.337 119.950 -0.326 0.000 2.087 171 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 171 F C 1.800 177.442 175.800 -0.262 0.000 1.100 171 F CA 2.581 60.368 58.000 -0.355 0.000 1.226 171 F CB -0.093 38.712 39.000 -0.326 0.000 0.983 171 F HN 0.653 nan 8.300 nan 0.000 0.479 172 S N -0.812 114.918 115.700 0.050 0.000 2.600 172 S HA 0.699 5.169 4.470 -0.000 0.000 0.300 172 S C -0.540 174.013 174.600 -0.077 0.000 1.087 172 S CA -0.044 58.131 58.200 -0.042 0.000 0.965 172 S CB 1.928 65.136 63.200 0.012 0.000 1.089 172 S HN 0.533 nan 8.310 nan 0.000 0.496 173 S N 0.071 115.717 115.700 -0.089 0.000 2.550 173 S HA 0.821 5.291 4.470 -0.000 0.000 0.270 173 S C -1.224 173.326 174.600 -0.084 0.000 1.145 173 S CA -0.617 57.528 58.200 -0.092 0.000 0.852 173 S CB 1.190 64.340 63.200 -0.084 0.000 1.119 173 S HN 1.944 nan 8.310 nan 0.000 0.465 174 V N 1.218 121.072 119.914 -0.101 0.000 3.204 174 V HA 0.789 4.909 4.120 -0.000 0.000 0.298 174 V C -1.836 174.189 176.094 -0.115 0.000 1.328 174 V CA -0.517 61.732 62.300 -0.084 0.000 1.035 174 V CB 2.102 33.874 31.823 -0.086 0.000 1.095 174 V HN 1.158 nan 8.190 nan 0.000 0.442 175 V N 3.541 123.405 119.914 -0.082 0.000 2.540 175 V HA 0.599 4.719 4.120 -0.000 0.000 0.302 175 V C 0.426 176.443 176.094 -0.129 0.000 1.035 175 V CA -0.054 62.148 62.300 -0.165 0.000 0.873 175 V CB 1.848 33.562 31.823 -0.181 0.000 0.992 175 V HN 1.112 nan 8.190 nan 0.000 0.428 176 T N 0.601 115.050 114.554 -0.174 0.000 2.766 176 T HA 0.118 4.468 4.350 -0.000 0.000 0.295 176 T C 0.975 175.643 174.700 -0.053 0.000 1.024 176 T CA 0.180 62.238 62.100 -0.070 0.000 1.018 176 T CB 1.047 69.899 68.868 -0.027 0.000 1.002 176 T HN 0.719 nan 8.240 nan 0.000 0.532 177 Q N 0.443 120.298 119.800 0.092 0.000 2.124 177 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 177 Q C 2.375 178.562 176.000 0.311 0.000 0.977 177 Q CA 1.387 57.349 55.803 0.266 0.000 0.850 177 Q CB -0.715 28.132 28.738 0.182 0.000 0.901 177 Q HN 0.926 nan 8.270 nan 0.000 0.429 178 A N -0.296 122.583 122.820 0.098 0.000 2.121 178 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 178 A C 1.491 179.011 177.584 -0.108 0.000 1.154 178 A CA 1.255 53.333 52.037 0.068 0.000 0.679 178 A CB -0.495 18.509 19.000 0.008 0.000 0.795 178 A HN 0.657 nan 8.150 nan 0.000 0.458 179 G N -1.359 107.094 108.800 -0.579 0.000 2.135 179 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.183 179 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.183 179 G C -0.315 174.136 174.900 -0.749 0.000 1.004 179 G CA 0.053 44.319 45.100 -1.390 0.000 0.677 179 G HN 0.389 nan 8.290 nan 0.000 0.512 180 E N 0.313 120.238 120.200 -0.458 0.000 2.105 180 E HA 0.353 4.702 4.350 -0.000 0.000 0.285 180 E C 0.223 176.631 176.600 -0.320 0.000 1.055 180 E CA -0.612 55.607 56.400 -0.302 0.000 0.843 180 E CB 1.468 31.074 29.700 -0.156 0.000 1.067 180 E HN 0.358 nan 8.360 nan 0.000 0.398 181 L N 4.515 125.551 121.223 -0.312 0.000 2.380 181 L HA 0.147 4.487 4.340 -0.000 0.000 0.273 181 L C -0.858 175.880 176.870 -0.220 0.000 1.138 181 L CA -0.133 54.552 54.840 -0.259 0.000 0.832 181 L CB 1.049 42.956 42.059 -0.253 0.000 1.124 181 L HN 0.140 nan 8.230 nan 0.000 0.454 182 V N 6.735 126.519 119.914 -0.217 0.000 2.483 182 V HA 0.427 4.547 4.120 -0.000 0.000 0.297 182 V C -0.231 175.764 176.094 -0.165 0.000 1.027 182 V CA -0.577 61.577 62.300 -0.243 0.000 0.855 182 V CB 1.496 33.044 31.823 -0.459 0.000 0.995 182 V HN 0.599 nan 8.190 nan 0.000 0.424 183 L N 3.987 125.145 121.223 -0.108 0.000 2.322 183 L HA 0.728 5.068 4.340 -0.000 0.000 0.281 183 L C 0.840 177.642 176.870 -0.114 0.000 1.014 183 L CA -0.519 54.263 54.840 -0.097 0.000 0.815 183 L CB 1.844 43.861 42.059 -0.070 0.000 1.247 183 L HN 0.752 nan 8.230 nan 0.000 0.421 184 G N 1.921 110.656 108.800 -0.107 0.000 2.370 184 G HA2 0.540 4.500 3.960 -0.000 0.000 0.272 184 G HA3 0.540 4.500 3.960 -0.000 0.000 0.272 184 G C -0.380 174.469 174.900 -0.085 0.000 1.208 184 G CA -0.204 44.836 45.100 -0.100 0.000 0.856 184 G HN 0.722 nan 8.290 nan 0.000 0.500 185 A N 4.902 127.660 122.820 -0.104 0.000 2.763 185 A HA 0.669 4.989 4.320 -0.000 0.000 0.325 185 A C -1.523 175.998 177.584 -0.105 0.000 1.209 185 A CA -1.209 50.746 52.037 -0.137 0.000 0.764 185 A CB 1.748 20.633 19.000 -0.191 0.000 1.120 185 A HN 0.456 nan 8.150 nan 0.000 0.463 186 P HA -0.033 nan 4.420 nan 0.000 0.229 186 P C 1.253 178.636 177.300 0.139 0.000 1.160 186 P CA 1.448 64.535 63.100 -0.021 0.000 0.777 186 P CB 0.266 31.786 31.700 -0.299 0.000 0.814 187 G N -0.112 108.685 108.800 -0.004 0.000 2.985 187 G HA2 0.149 4.109 3.960 -0.000 0.000 0.209 187 G HA3 0.149 4.109 3.960 -0.000 0.000 0.209 187 G C 0.875 175.620 174.900 -0.258 0.000 1.165 187 G CA 0.071 45.151 45.100 -0.032 0.000 0.776 187 G HN 0.391 nan 8.290 nan 0.000 0.541 188 G N -0.627 108.051 108.800 -0.203 0.000 2.484 188 G HA2 0.275 4.235 3.960 -0.000 0.000 0.235 188 G HA3 0.275 4.235 3.960 -0.000 0.000 0.235 188 G C -0.012 174.756 174.900 -0.220 0.000 1.282 188 G CA -0.261 44.615 45.100 -0.373 0.000 0.857 188 G HN 0.413 nan 8.290 nan 0.000 0.571 189 Y N -0.586 119.648 120.300 -0.111 0.000 3.057 189 Y HA -0.223 4.327 4.550 -0.000 0.000 0.192 189 Y C 0.764 176.673 175.900 0.015 0.000 1.448 189 Y CA 0.599 58.662 58.100 -0.061 0.000 1.065 189 Y CB -2.867 35.531 38.460 -0.102 0.000 1.369 189 Y HN 0.864 nan 8.280 nan 0.000 0.460 190 Y N -0.920 119.354 120.300 -0.043 0.000 3.037 190 Y HA -0.236 4.314 4.550 -0.000 0.000 0.204 190 Y C 0.769 176.645 175.900 -0.040 0.000 1.275 190 Y CA 1.191 59.221 58.100 -0.116 0.000 1.066 190 Y CB -1.767 36.651 38.460 -0.070 0.000 1.305 190 Y HN 0.482 nan 8.280 nan 0.000 0.499 191 F N -3.824 116.239 119.950 0.188 0.000 2.884 191 F HA -0.397 4.130 4.527 -0.000 0.000 0.294 191 F C 1.216 177.124 175.800 0.180 0.000 0.723 191 F CA 0.569 58.692 58.000 0.204 0.000 1.294 191 F CB -2.017 37.101 39.000 0.197 0.000 1.551 191 F HN 0.216 nan 8.300 nan 0.000 0.363 192 L N 0.087 121.480 121.223 0.282 0.000 2.005 192 L HA 0.355 4.695 4.340 -0.000 0.000 0.207 192 L C 1.641 178.736 176.870 0.375 0.000 1.072 192 L CA 2.224 57.240 54.840 0.293 0.000 0.744 192 L CB -0.839 41.364 42.059 0.240 0.000 0.895 192 L HN 0.595 nan 8.230 nan 0.000 0.433 193 G N -1.069 107.933 108.800 0.335 0.000 2.640 193 G HA2 0.295 4.255 3.960 -0.000 0.000 0.686 193 G HA3 0.295 4.255 3.960 -0.000 0.000 0.686 193 G C -1.538 173.618 174.900 0.428 0.000 1.229 193 G CA -0.455 44.874 45.100 0.381 0.000 0.796 193 G HN 0.484 nan 8.290 nan 0.000 0.654 194 L N -0.982 120.419 121.223 0.297 0.000 2.479 194 L HA 1.005 5.345 4.340 -0.000 0.000 0.255 194 L C -1.222 175.723 176.870 0.125 0.000 1.026 194 L CA -1.417 53.583 54.840 0.267 0.000 0.842 194 L CB 1.724 43.719 42.059 -0.106 0.000 1.444 194 L HN 0.715 nan 8.230 nan 0.000 0.409 195 L N 1.914 123.175 121.223 0.063 0.000 2.346 195 L HA 0.951 5.291 4.340 -0.000 0.000 0.276 195 L C -0.116 176.698 176.870 -0.094 0.000 1.006 195 L CA -0.186 54.618 54.840 -0.060 0.000 0.817 195 L CB 1.809 43.874 42.059 0.009 0.000 1.272 195 L HN 1.002 nan 8.230 nan 0.000 0.421 196 A N 3.714 126.508 122.820 -0.044 0.000 2.342 196 A HA 0.797 5.117 4.320 -0.000 0.000 0.323 196 A C -1.002 176.633 177.584 0.084 0.000 1.125 196 A CA -0.501 51.545 52.037 0.015 0.000 0.785 196 A CB 1.248 20.207 19.000 -0.068 0.000 1.221 196 A HN 0.674 nan 8.150 nan 0.000 0.463 197 Q N 1.030 120.904 119.800 0.123 0.000 2.423 197 Q HA 0.859 5.199 4.340 -0.000 0.000 0.278 197 Q C -0.989 175.000 176.000 -0.019 0.000 1.097 197 Q CA -0.888 54.928 55.803 0.021 0.000 0.809 197 Q CB 2.355 31.087 28.738 -0.010 0.000 1.391 197 Q HN 1.598 nan 8.270 nan 0.000 0.428 198 A N 1.694 124.413 122.820 -0.167 0.000 2.594 198 A HA 0.644 4.964 4.320 -0.000 0.000 0.296 198 A C -2.974 174.451 177.584 -0.266 0.000 1.056 198 A CA -1.278 50.619 52.037 -0.234 0.000 0.693 198 A CB 1.561 20.304 19.000 -0.428 0.000 1.278 198 A HN 0.580 nan 8.150 nan 0.000 0.408 199 P HA 0.215 nan 4.420 nan 0.000 0.268 199 P C 1.133 178.322 177.300 -0.185 0.000 1.204 199 P CA -0.072 62.916 63.100 -0.187 0.000 0.768 199 P CB 0.756 32.393 31.700 -0.105 0.000 0.842 200 V N 3.694 123.489 119.914 -0.199 0.000 2.287 200 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 200 V C 2.401 178.596 176.094 0.168 0.000 1.053 200 V CA 2.785 65.058 62.300 -0.044 0.000 1.027 200 V CB -1.595 30.232 31.823 0.006 0.000 0.646 200 V HN 0.678 nan 8.190 nan 0.000 0.447 201 A N -0.047 122.855 122.820 0.137 0.000 1.903 201 A HA -0.328 3.992 4.320 -0.000 0.000 0.219 201 A C 1.984 179.662 177.584 0.157 0.000 1.191 201 A CA 2.485 54.623 52.037 0.168 0.000 0.638 201 A CB -0.686 18.372 19.000 0.098 0.000 0.823 201 A HN 0.587 nan 8.150 nan 0.000 0.451 202 D N -0.543 119.899 120.400 0.069 0.000 2.194 202 D HA 0.005 4.645 4.640 -0.000 0.000 0.204 202 D C 1.889 178.231 176.300 0.070 0.000 0.964 202 D CA 0.691 54.727 54.000 0.061 0.000 0.846 202 D CB -0.318 40.493 40.800 0.018 0.000 0.962 202 D HN 0.525 nan 8.370 nan 0.000 0.490 203 I N 0.257 120.816 120.570 -0.018 0.000 2.151 203 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 203 I C 2.094 178.212 176.117 0.001 0.000 1.080 203 I CA 1.018 62.281 61.300 -0.061 0.000 1.339 203 I CB -0.214 37.594 38.000 -0.319 0.000 1.039 203 I HN -0.095 nan 8.210 nan 0.000 0.409 204 F N 1.130 121.102 119.950 0.037 0.000 2.113 204 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 204 F C 2.985 178.826 175.800 0.068 0.000 1.103 204 F CA 1.903 59.936 58.000 0.056 0.000 1.248 204 F CB -0.689 38.340 39.000 0.047 0.000 0.999 204 F HN 0.116 nan 8.300 nan 0.000 0.475 205 S N -1.194 114.653 115.700 0.245 0.000 2.481 205 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 205 S C 1.708 176.364 174.600 0.094 0.000 0.996 205 S CA 0.875 59.163 58.200 0.147 0.000 0.942 205 S CB -0.780 62.487 63.200 0.112 0.000 0.768 205 S HN 0.340 nan 8.310 nan 0.000 0.520 206 S N -0.863 114.900 115.700 0.105 0.000 2.540 206 S HA 0.259 4.729 4.470 -0.000 0.000 0.218 206 S C 0.059 174.560 174.600 -0.166 0.000 0.977 206 S CA -0.796 57.447 58.200 0.073 0.000 0.918 206 S CB -0.669 62.671 63.200 0.233 0.000 0.806 206 S HN 0.597 nan 8.310 nan 0.000 0.496 207 Y N 2.984 123.093 120.300 -0.319 0.000 2.304 207 Y HA 0.622 5.172 4.550 -0.000 0.000 0.328 207 Y C 0.029 175.654 175.900 -0.457 0.000 1.123 207 Y CA -0.697 57.002 58.100 -0.668 0.000 1.218 207 Y CB 0.527 38.701 38.460 -0.478 0.000 1.207 207 Y HN 0.006 nan 8.280 nan 0.000 0.495 208 R N 6.073 125.705 120.500 -1.446 0.000 2.651 208 R HA 0.371 4.711 4.340 -0.000 0.000 0.278 208 R C -3.043 172.488 176.300 -1.283 0.000 1.010 208 R CA -2.376 53.089 56.100 -1.057 0.000 0.896 208 R CB 1.539 31.528 30.300 -0.517 0.000 1.211 208 R HN 0.523 nan 8.270 nan 0.000 0.456 209 P HA 0.199 nan 4.420 nan 0.000 0.275 209 P C 0.730 177.891 177.300 -0.231 0.000 1.227 209 P CA 0.399 63.267 63.100 -0.388 0.000 0.781 209 P CB 0.724 32.373 31.700 -0.084 0.000 0.906 210 G N 2.017 110.752 108.800 -0.108 0.000 2.241 210 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 210 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 210 G C 0.880 175.773 174.900 -0.013 0.000 0.998 210 G CA 0.106 45.184 45.100 -0.036 0.000 0.621 210 G HN 0.434 nan 8.290 nan 0.000 0.519 211 I N 0.782 121.311 120.570 -0.069 0.000 2.286 211 I HA 0.087 4.257 4.170 -0.000 0.000 0.245 211 I C 2.719 178.955 176.117 0.199 0.000 1.104 211 I CA 2.082 63.394 61.300 0.020 0.000 1.397 211 I CB -1.118 36.843 38.000 -0.066 0.000 1.072 211 I HN 0.536 nan 8.210 nan 0.000 0.417 212 L N -1.498 119.925 121.223 0.334 0.000 3.412 212 L HA -0.317 4.023 4.340 -0.000 0.000 0.253 212 L C 0.589 177.645 176.870 0.310 0.000 4.367 212 L CA 1.211 56.310 54.840 0.432 0.000 0.793 212 L CB -1.426 40.884 42.059 0.418 0.000 3.488 212 L HN 0.104 nan 8.230 nan 0.000 0.786 213 L N 0.448 121.806 121.223 0.226 0.000 2.257 213 L HA 0.400 4.740 4.340 -0.000 0.000 0.290 213 L C -0.391 176.511 176.870 0.053 0.000 1.044 213 L CA -0.196 54.630 54.840 -0.023 0.000 0.810 213 L CB 0.891 42.950 42.059 0.001 0.000 1.193 213 L HN 0.417 nan 8.230 nan 0.000 0.425 214 W N 3.111 124.267 121.300 -0.238 0.000 3.018 214 W HA 0.492 5.152 4.660 -0.000 0.000 0.352 214 W C -1.294 175.041 176.519 -0.307 0.000 1.230 214 W CA -0.883 56.302 57.345 -0.267 0.000 1.162 214 W CB 0.720 30.112 29.460 -0.114 0.000 1.483 214 W HN 0.161 nan 8.180 nan 0.000 0.584 215 H N 1.030 120.218 119.070 0.196 0.000 2.476 215 H HA 0.483 5.039 4.556 -0.000 0.000 0.328 215 H C -0.725 174.723 175.328 0.199 0.000 1.073 215 H CA -0.764 55.328 56.048 0.074 0.000 1.229 215 H CB 2.047 31.852 29.762 0.072 0.000 1.432 215 H HN 0.316 nan 8.280 nan 0.000 0.477 216 V N 3.788 123.837 119.914 0.225 0.000 2.259 216 V HA -0.024 4.096 4.120 -0.000 0.000 0.267 216 V C 1.580 177.751 176.094 0.129 0.000 1.051 216 V CA -0.154 62.274 62.300 0.212 0.000 0.830 216 V CB 0.587 32.535 31.823 0.208 0.000 1.080 216 V HN 0.891 nan 8.190 nan 0.000 0.467 217 S N 3.039 118.806 115.700 0.111 0.000 2.402 217 S HA -0.192 4.277 4.470 -0.000 0.000 0.233 217 S C 1.832 176.449 174.600 0.028 0.000 1.030 217 S CA 1.701 59.931 58.200 0.050 0.000 1.003 217 S CB -0.355 62.864 63.200 0.030 0.000 0.813 217 S HN 0.853 nan 8.310 nan 0.000 0.477 218 S N 1.347 117.062 115.700 0.026 0.000 2.603 218 S HA 0.070 4.540 4.470 -0.000 0.000 0.220 218 S C 0.763 175.358 174.600 -0.009 0.000 0.967 218 S CA -0.237 57.963 58.200 -0.000 0.000 0.920 218 S CB -0.716 62.478 63.200 -0.011 0.000 0.773 218 S HN 0.902 nan 8.310 nan 0.000 0.529 219 Q N 1.084 120.895 119.800 0.018 0.000 2.382 219 Q HA 0.551 4.891 4.340 -0.000 0.000 0.229 219 Q C -0.520 175.501 176.000 0.035 0.000 1.006 219 Q CA -0.538 55.286 55.803 0.035 0.000 0.916 219 Q CB 0.725 29.526 28.738 0.105 0.000 1.235 219 Q HN 0.114 nan 8.270 nan 0.000 0.512 220 S N 2.014 117.753 115.700 0.064 0.000 2.737 220 S HA 0.418 4.887 4.470 -0.000 0.000 0.269 220 S C -1.498 173.222 174.600 0.201 0.000 1.150 220 S CA -0.726 57.536 58.200 0.103 0.000 1.077 220 S CB 0.513 63.741 63.200 0.048 0.000 1.075 220 S HN 0.524 nan 8.310 nan 0.000 0.476 221 L N 3.925 125.186 121.223 0.063 0.000 2.379 221 L HA 0.614 4.954 4.340 -0.000 0.000 0.269 221 L C 1.078 177.688 176.870 -0.435 0.000 1.084 221 L CA 0.130 54.916 54.840 -0.089 0.000 0.802 221 L CB 1.636 43.658 42.059 -0.060 0.000 1.175 221 L HN 0.826 nan 8.230 nan 0.000 0.448 222 S N 0.814 116.037 115.700 -0.795 0.000 2.640 222 S HA 0.562 5.032 4.470 -0.000 0.000 0.262 222 S C -0.221 174.026 174.600 -0.587 0.000 1.232 222 S CA -0.424 57.098 58.200 -1.130 0.000 0.988 222 S CB 0.318 63.023 63.200 -0.825 0.000 1.034 222 S HN 0.198 nan 8.310 nan 0.000 0.569 223 F N 0.032 119.932 119.950 -0.084 0.000 2.483 223 F HA 0.464 4.991 4.527 -0.000 0.000 0.329 223 F C 0.722 176.119 175.800 -0.672 0.000 1.064 223 F CA -0.947 56.952 58.000 -0.169 0.000 0.986 223 F CB 0.964 39.894 39.000 -0.117 0.000 1.218 223 F HN 0.548 nan 8.300 nan 0.000 0.484 224 D N 0.523 120.251 120.400 -1.119 0.000 2.313 224 D HA 0.394 5.034 4.640 -0.000 0.000 0.247 224 D C -0.789 175.049 176.300 -0.769 0.000 1.094 224 D CA 0.194 53.302 54.000 -1.487 0.000 0.925 224 D CB 1.593 41.072 40.800 -2.202 0.000 1.188 224 D HN 0.459 nan 8.370 nan 0.000 0.430 225 S N -0.175 115.203 115.700 -0.537 0.000 2.579 225 S HA 0.463 4.932 4.470 -0.000 0.000 0.272 225 S C -0.168 174.364 174.600 -0.114 0.000 1.141 225 S CA -0.338 57.670 58.200 -0.320 0.000 0.843 225 S CB 1.075 64.052 63.200 -0.371 0.000 1.122 225 S HN 0.365 nan 8.310 nan 0.000 0.468 226 S N 1.871 117.542 115.700 -0.048 0.000 2.593 226 S HA 0.240 4.710 4.470 -0.000 0.000 0.236 226 S C 0.053 174.646 174.600 -0.013 0.000 0.991 226 S CA -0.440 57.817 58.200 0.095 0.000 0.963 226 S CB -0.490 62.732 63.200 0.036 0.000 0.865 226 S HN 0.641 nan 8.310 nan 0.000 0.488 227 N N 3.292 121.940 118.700 -0.087 0.000 2.405 227 N HA 0.310 5.050 4.740 -0.000 0.000 0.260 227 N C -1.996 173.197 175.510 -0.529 0.000 1.152 227 N CA -2.116 50.830 53.050 -0.174 0.000 0.948 227 N CB 1.123 39.628 38.487 0.030 0.000 1.111 227 N HN -0.052 nan 8.380 nan 0.000 0.485 228 P HA -0.142 nan 4.420 nan 0.000 0.220 228 P C 0.573 177.201 177.300 -1.119 0.000 1.144 228 P CA 1.186 63.399 63.100 -1.479 0.000 0.800 228 P CB 0.273 31.570 31.700 -0.671 0.000 0.772 229 E N -1.557 118.224 120.200 -0.697 0.000 2.130 229 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 229 E C 1.417 177.337 176.600 -1.133 0.000 0.998 229 E CA 1.232 57.080 56.400 -0.920 0.000 0.806 229 E CB -0.517 28.747 29.700 -0.728 0.000 0.738 229 E HN 0.444 nan 8.360 nan 0.000 0.459 230 Y N -0.574 119.426 120.300 -0.500 0.000 2.544 230 Y HA 0.068 4.618 4.550 -0.000 0.000 0.286 230 Y C 0.612 176.500 175.900 -0.020 0.000 1.141 230 Y CA -0.145 57.871 58.100 -0.140 0.000 1.299 230 Y CB 0.106 38.584 38.460 0.029 0.000 1.030 230 Y HN -0.097 nan 8.280 nan 0.000 0.543 231 F N 2.548 122.347 119.950 -0.252 0.000 2.608 231 F HA -0.127 4.400 4.527 -0.000 0.000 0.380 231 F C 0.661 176.282 175.800 -0.298 0.000 1.083 231 F CA 0.032 57.888 58.000 -0.240 0.000 1.266 231 F CB 0.304 39.102 39.000 -0.336 0.000 1.076 231 F HN 0.329 nan 8.300 nan 0.000 0.574 232 D N 1.985 122.372 120.400 -0.022 0.000 2.911 232 D HA -0.184 4.456 4.640 -0.000 0.000 0.227 232 D C 1.185 177.182 176.300 -0.504 0.000 1.164 232 D CA 0.784 54.627 54.000 -0.261 0.000 0.782 232 D CB -1.426 39.203 40.800 -0.284 0.000 1.094 232 D HN 0.857 nan 8.370 nan 0.000 0.425 233 G N -0.580 108.109 108.800 -0.185 0.000 2.683 233 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.213 233 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.213 233 G C 0.464 175.429 174.900 0.108 0.000 1.142 233 G CA -0.055 45.025 45.100 -0.033 0.000 0.793 233 G HN 0.319 nan 8.290 nan 0.000 0.534 234 Y N -2.447 118.016 120.300 0.272 0.000 3.305 234 Y HA -0.162 4.388 4.550 -0.000 0.000 0.212 234 Y C 0.519 176.590 175.900 0.285 0.000 1.248 234 Y CA -0.674 57.578 58.100 0.254 0.000 1.359 234 Y CB -2.574 36.037 38.460 0.252 0.000 1.407 234 Y HN 0.429 nan 8.280 nan 0.000 0.572 235 W N 1.839 123.304 121.300 0.275 0.000 2.613 235 W HA 0.373 5.033 4.660 -0.000 0.000 0.342 235 W C 1.216 177.821 176.519 0.142 0.000 1.416 235 W CA 2.096 59.569 57.345 0.214 0.000 1.335 235 W CB 0.137 29.750 29.460 0.256 0.000 1.396 235 W HN 0.701 nan 8.180 nan 0.000 0.572 236 G N 3.975 112.678 108.800 -0.161 0.000 2.168 236 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.197 236 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.197 236 G C 0.569 175.457 174.900 -0.020 0.000 0.997 236 G CA 0.072 45.063 45.100 -0.181 0.000 0.658 236 G HN 0.647 nan 8.290 nan 0.000 0.513 237 Y N 2.143 122.404 120.300 -0.065 0.000 2.193 237 Y HA 0.102 4.652 4.550 -0.000 0.000 0.285 237 Y C 1.773 177.749 175.900 0.127 0.000 1.166 237 Y CA 2.485 60.600 58.100 0.024 0.000 1.181 237 Y CB 0.178 38.694 38.460 0.093 0.000 0.976 237 Y HN 0.729 nan 8.280 nan 0.000 0.520 238 S N -1.189 114.615 115.700 0.173 0.000 2.569 238 S HA 0.657 5.127 4.470 -0.000 0.000 0.280 238 S C -1.301 173.255 174.600 -0.073 0.000 1.111 238 S CA -0.592 57.629 58.200 0.036 0.000 0.887 238 S CB 2.025 65.232 63.200 0.012 0.000 1.095 238 S HN 0.081 nan 8.310 nan 0.000 0.476 239 V N 0.190 120.051 119.914 -0.088 0.000 3.012 239 V HA 0.942 5.062 4.120 -0.000 0.000 0.307 239 V C -1.053 174.992 176.094 -0.083 0.000 1.166 239 V CA 0.168 62.395 62.300 -0.122 0.000 0.974 239 V CB 1.668 33.395 31.823 -0.161 0.000 1.040 239 V HN 1.894 nan 8.190 nan 0.000 0.428 240 A N 4.030 126.816 122.820 -0.058 0.000 2.610 240 A HA 0.933 5.253 4.320 -0.000 0.000 0.291 240 A C -1.137 176.477 177.584 0.050 0.000 1.086 240 A CA 0.021 52.053 52.037 -0.007 0.000 0.677 240 A CB 1.783 20.793 19.000 0.017 0.000 1.278 240 A HN 2.111 nan 8.150 nan 0.000 0.414 241 V N -1.765 118.190 119.914 0.068 0.000 2.960 241 V HA 1.077 5.197 4.120 -0.000 0.000 0.315 241 V C 0.166 176.281 176.094 0.036 0.000 1.087 241 V CA 0.117 62.489 62.300 0.119 0.000 0.982 241 V CB 1.278 33.170 31.823 0.115 0.000 1.039 241 V HN 2.496 nan 8.190 nan 0.000 0.437 242 G N 1.209 109.990 108.800 -0.031 0.000 2.342 242 G HA2 0.517 4.477 3.960 -0.000 0.000 0.297 242 G HA3 0.517 4.477 3.960 -0.000 0.000 0.297 242 G C -1.927 172.678 174.900 -0.492 0.000 1.313 242 G CA -0.379 44.446 45.100 -0.459 0.000 0.830 242 G HN 1.097 nan 8.290 nan 0.000 0.506 243 E N -0.360 119.293 120.200 -0.910 0.000 2.114 243 E HA 0.702 5.052 4.350 -0.000 0.000 0.266 243 E C -0.998 175.262 176.600 -0.566 0.000 0.896 243 E CA -0.725 55.405 56.400 -0.450 0.000 0.750 243 E CB 0.657 30.260 29.700 -0.162 0.000 1.121 243 E HN 0.288 nan 8.360 nan 0.000 0.413 244 F N 2.456 122.432 119.950 0.043 0.000 2.825 244 F HA 0.208 4.735 4.527 -0.000 0.000 0.322 244 F C 0.544 176.415 175.800 0.118 0.000 1.127 244 F CA -0.311 57.753 58.000 0.107 0.000 1.164 244 F CB 0.998 40.076 39.000 0.130 0.000 1.101 244 F HN 0.434 nan 8.300 nan 0.000 0.529 245 D N -1.559 118.948 120.400 0.179 0.000 2.539 245 D HA 0.252 4.892 4.640 -0.000 0.000 0.232 245 D C 1.675 178.023 176.300 0.080 0.000 1.256 245 D CA 0.588 54.662 54.000 0.122 0.000 0.810 245 D CB 0.233 41.069 40.800 0.061 0.000 1.090 245 D HN 0.216 nan 8.370 nan 0.000 0.519 246 G N 0.997 109.841 108.800 0.073 0.000 2.347 246 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.247 246 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.247 246 G C 0.077 174.995 174.900 0.031 0.000 1.037 246 G CA 0.339 45.471 45.100 0.053 0.000 0.622 246 G HN 0.580 nan 8.290 nan 0.000 0.521 247 D N 1.237 121.651 120.400 0.024 0.000 2.402 247 D HA 0.464 5.104 4.640 -0.000 0.000 0.235 247 D C 1.865 178.169 176.300 0.007 0.000 1.226 247 D CA -0.347 53.660 54.000 0.012 0.000 0.918 247 D CB 0.015 40.819 40.800 0.005 0.000 1.043 247 D HN 0.255 nan 8.370 nan 0.000 0.506 248 L N 3.235 124.464 121.223 0.009 0.000 2.261 248 L HA -0.141 4.199 4.340 -0.000 0.000 0.216 248 L C 1.971 178.844 176.870 0.005 0.000 1.114 248 L CA 0.546 55.391 54.840 0.008 0.000 0.777 248 L CB -0.390 41.677 42.059 0.013 0.000 0.910 248 L HN 0.373 nan 8.230 nan 0.000 0.440 249 N N -0.339 118.364 118.700 0.005 0.000 2.270 249 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 249 N C 0.712 176.222 175.510 -0.000 0.000 1.016 249 N CA 1.083 54.136 53.050 0.005 0.000 0.870 249 N CB 0.090 38.581 38.487 0.007 0.000 0.979 249 N HN 0.357 nan 8.380 nan 0.000 0.431 250 T N -3.022 111.527 114.554 -0.008 0.000 2.934 250 T HA 0.530 4.880 4.350 -0.000 0.000 0.283 250 T C -0.106 174.565 174.700 -0.049 0.000 1.005 250 T CA -0.779 61.305 62.100 -0.026 0.000 1.041 250 T CB 1.659 70.513 68.868 -0.024 0.000 1.042 250 T HN -0.111 nan 8.240 nan 0.000 0.505 251 T N 2.153 116.651 114.554 -0.093 0.000 2.823 251 T HA 0.546 4.896 4.350 -0.000 0.000 0.279 251 T C -0.625 173.932 174.700 -0.240 0.000 0.998 251 T CA -0.646 61.389 62.100 -0.108 0.000 0.994 251 T CB 1.474 70.320 68.868 -0.037 0.000 0.960 251 T HN 0.642 nan 8.240 nan 0.000 0.448 252 E N 1.396 121.526 120.200 -0.118 0.000 2.214 252 E HA 0.525 4.875 4.350 -0.000 0.000 0.274 252 E C -1.165 175.480 176.600 0.075 0.000 0.977 252 E CA -0.557 55.792 56.400 -0.086 0.000 0.827 252 E CB 0.756 30.550 29.700 0.156 0.000 1.130 252 E HN 0.434 nan 8.360 nan 0.000 0.394 253 Y N 0.200 120.535 120.300 0.058 0.000 2.377 253 Y HA 0.473 5.023 4.550 -0.000 0.000 0.339 253 Y C -0.250 175.656 175.900 0.010 0.000 1.011 253 Y CA -1.402 56.714 58.100 0.027 0.000 1.093 253 Y CB 1.153 39.621 38.460 0.014 0.000 1.201 253 Y HN 0.145 nan 8.280 nan 0.000 0.455 254 V N 4.496 124.494 119.914 0.139 0.000 2.370 254 V HA 0.512 4.632 4.120 -0.000 0.000 0.283 254 V C -0.293 175.745 176.094 -0.093 0.000 1.023 254 V CA -0.832 61.465 62.300 -0.005 0.000 0.857 254 V CB 1.288 33.097 31.823 -0.022 0.000 0.985 254 V HN 0.535 nan 8.190 nan 0.000 0.443 255 V N 3.473 123.279 119.914 -0.180 0.000 2.581 255 V HA 0.760 4.880 4.120 -0.000 0.000 0.303 255 V C 0.701 176.605 176.094 -0.318 0.000 1.041 255 V CA -0.437 61.631 62.300 -0.387 0.000 0.907 255 V CB 2.029 33.318 31.823 -0.890 0.000 0.994 255 V HN 0.931 nan 8.190 nan 0.000 0.442 256 G N 2.268 110.907 108.800 -0.267 0.000 2.335 256 G HA2 0.609 4.569 3.960 -0.000 0.000 0.316 256 G HA3 0.609 4.569 3.960 -0.000 0.000 0.316 256 G C -0.248 174.611 174.900 -0.068 0.000 1.129 256 G CA -0.145 44.873 45.100 -0.137 0.000 0.899 256 G HN 1.149 nan 8.290 nan 0.000 0.448 257 A N 4.813 127.646 122.820 0.021 0.000 3.159 257 A HA 0.643 4.963 4.320 -0.000 0.000 0.330 257 A C -1.415 176.236 177.584 0.113 0.000 1.032 257 A CA -1.169 50.975 52.037 0.178 0.000 0.841 257 A CB 1.342 20.567 19.000 0.374 0.000 1.093 257 A HN 0.439 nan 8.150 nan 0.000 0.478 258 P HA -0.111 nan 4.420 nan 0.000 0.222 258 P C 1.058 178.155 177.300 -0.338 0.000 1.147 258 P CA 1.824 64.720 63.100 -0.340 0.000 0.790 258 P CB -0.007 31.107 31.700 -0.977 0.000 0.780 259 T N -7.258 107.182 114.554 -0.191 0.000 3.129 259 T HA 0.126 4.476 4.350 -0.000 0.000 0.267 259 T C 0.044 174.720 174.700 -0.040 0.000 1.018 259 T CA -0.805 61.219 62.100 -0.127 0.000 0.903 259 T CB -0.914 67.839 68.868 -0.191 0.000 1.067 259 T HN -0.049 nan 8.240 nan 0.000 0.549 260 W N 2.595 123.824 121.300 -0.119 0.000 2.274 260 W HA 0.350 5.010 4.660 -0.000 0.000 0.345 260 W C 0.746 177.185 176.519 -0.135 0.000 1.265 260 W CA 1.226 58.490 57.345 -0.135 0.000 1.293 260 W CB 0.213 29.621 29.460 -0.086 0.000 1.175 260 W HN 0.332 nan 8.180 nan 0.000 0.577 261 S N 6.648 121.709 115.700 -1.064 0.000 3.310 261 S HA -0.249 4.221 4.470 -0.000 0.000 0.381 261 S C 0.017 174.569 174.600 -0.079 0.000 0.908 261 S CA 0.846 58.556 58.200 -0.817 0.000 1.333 261 S CB -1.465 61.086 63.200 -1.081 0.000 0.931 261 S HN 0.959 nan 8.310 nan 0.000 0.570 262 W N 0.392 121.522 121.300 -0.283 0.000 6.111 262 W HA -0.329 4.330 4.660 -0.000 0.000 0.409 262 W C 1.240 177.707 176.519 -0.086 0.000 1.586 262 W CA 1.410 58.663 57.345 -0.154 0.000 1.027 262 W CB -3.054 26.320 29.460 -0.144 0.000 2.784 262 W HN 1.764 nan 8.180 nan 0.000 1.485 263 T N -4.195 110.381 114.554 0.037 0.000 4.543 263 T HA -0.366 3.984 4.350 -0.000 0.000 0.313 263 T C 0.731 175.497 174.700 0.109 0.000 1.051 263 T CA 1.444 63.586 62.100 0.069 0.000 2.160 263 T CB -1.685 67.247 68.868 0.107 0.000 1.904 263 T HN 0.384 nan 8.240 nan 0.000 0.924 264 L N 1.350 122.644 121.223 0.119 0.000 2.109 264 L HA 0.505 4.845 4.340 -0.000 0.000 0.207 264 L C 1.551 178.516 176.870 0.159 0.000 1.086 264 L CA 2.589 57.508 54.840 0.132 0.000 0.760 264 L CB -0.817 41.325 42.059 0.137 0.000 0.910 264 L HN 1.593 nan 8.230 nan 0.000 0.437 265 G N -1.072 107.868 108.800 0.233 0.000 2.716 265 G HA2 0.337 4.297 3.960 -0.000 0.000 0.686 265 G HA3 0.337 4.297 3.960 -0.000 0.000 0.686 265 G C -0.549 174.536 174.900 0.309 0.000 1.337 265 G CA -0.239 45.024 45.100 0.272 0.000 0.829 265 G HN 1.144 nan 8.290 nan 0.000 0.599 266 A N -0.224 122.765 122.820 0.281 0.000 2.601 266 A HA 0.976 5.296 4.320 -0.000 0.000 0.291 266 A C -0.825 176.812 177.584 0.089 0.000 1.075 266 A CA 0.079 52.166 52.037 0.083 0.000 0.671 266 A CB 1.877 20.547 19.000 -0.550 0.000 1.277 266 A HN 2.182 nan 8.150 nan 0.000 0.417 267 V N 1.117 121.059 119.914 0.046 0.000 2.577 267 V HA 0.491 4.611 4.120 -0.000 0.000 0.303 267 V C -0.445 175.577 176.094 -0.119 0.000 1.042 267 V CA -0.447 61.807 62.300 -0.077 0.000 0.872 267 V CB 1.670 33.405 31.823 -0.146 0.000 0.998 267 V HN 0.936 nan 8.190 nan 0.000 0.423 268 E N 3.950 124.104 120.200 -0.077 0.000 2.235 268 E HA 0.664 5.014 4.350 -0.000 0.000 0.265 268 E C -1.225 175.356 176.600 -0.031 0.000 0.940 268 E CA -0.830 55.562 56.400 -0.013 0.000 0.819 268 E CB 2.945 32.757 29.700 0.188 0.000 1.206 268 E HN 0.507 nan 8.360 nan 0.000 0.409 269 I N 3.360 123.912 120.570 -0.030 0.000 2.389 269 I HA 0.337 4.507 4.170 -0.000 0.000 0.288 269 I C -0.697 175.415 176.117 -0.007 0.000 0.999 269 I CA -0.473 60.794 61.300 -0.056 0.000 1.129 269 I CB 0.742 38.662 38.000 -0.133 0.000 1.288 269 I HN 0.229 nan 8.210 nan 0.000 0.444 270 L N 4.435 125.695 121.223 0.061 0.000 2.333 270 L HA 0.566 4.906 4.340 -0.000 0.000 0.263 270 L C -0.533 176.312 176.870 -0.043 0.000 1.014 270 L CA -1.140 53.747 54.840 0.080 0.000 0.820 270 L CB 1.720 43.939 42.059 0.267 0.000 1.352 270 L HN 0.513 nan 8.230 nan 0.000 0.421 271 D N -0.673 119.688 120.400 -0.064 0.000 2.414 271 D HA 0.040 4.679 4.640 -0.000 0.000 0.251 271 D C 0.970 177.048 176.300 -0.370 0.000 1.252 271 D CA -0.227 53.675 54.000 -0.165 0.000 0.999 271 D CB 0.747 41.521 40.800 -0.044 0.000 1.093 271 D HN 0.558 nan 8.370 nan 0.000 0.515 272 S N -1.551 113.873 115.700 -0.460 0.000 2.555 272 S HA -0.141 4.329 4.470 -0.000 0.000 0.230 272 S C 1.177 175.456 174.600 -0.535 0.000 0.978 272 S CA 0.267 58.059 58.200 -0.679 0.000 0.934 272 S CB -0.746 62.164 63.200 -0.484 0.000 0.766 272 S HN 0.511 nan 8.310 nan 0.000 0.533 273 Y N 0.205 120.327 120.300 -0.296 0.000 2.461 273 Y HA 0.309 4.859 4.550 -0.000 0.000 0.277 273 Y C -0.172 175.782 175.900 0.090 0.000 1.182 273 Y CA -1.092 56.939 58.100 -0.114 0.000 1.276 273 Y CB -0.714 37.758 38.460 0.020 0.000 1.087 273 Y HN 0.192 nan 8.280 nan 0.000 0.519 274 Y N -1.444 119.027 120.300 0.285 0.000 4.272 274 Y HA -0.299 4.251 4.550 -0.000 0.000 0.232 274 Y C 0.242 176.325 175.900 0.305 0.000 1.149 274 Y CA -0.369 57.926 58.100 0.326 0.000 1.961 274 Y CB -2.533 36.119 38.460 0.320 0.000 1.611 274 Y HN 0.239 nan 8.280 nan 0.000 0.682 275 Q N 0.802 120.786 119.800 0.307 0.000 2.261 275 Q HA 0.356 4.696 4.340 -0.000 0.000 0.252 275 Q C 0.432 176.510 176.000 0.130 0.000 0.915 275 Q CA -0.781 55.133 55.803 0.185 0.000 0.915 275 Q CB 0.985 29.779 28.738 0.095 0.000 1.204 275 Q HN 0.250 nan 8.270 nan 0.000 0.421 276 R N 2.300 122.864 120.500 0.105 0.000 2.449 276 R HA 0.049 4.389 4.340 -0.000 0.000 0.296 276 R C 0.848 177.127 176.300 -0.035 0.000 1.047 276 R CA 0.225 56.363 56.100 0.064 0.000 1.018 276 R CB 0.484 30.828 30.300 0.074 0.000 0.962 276 R HN 0.609 nan 8.270 nan 0.000 0.428 277 L N 2.099 123.242 121.223 -0.134 0.000 2.349 277 L HA 0.167 4.506 4.340 -0.000 0.000 0.200 277 L C 0.189 176.748 176.870 -0.519 0.000 1.064 277 L CA 0.495 55.111 54.840 -0.372 0.000 0.821 277 L CB 0.106 41.853 42.059 -0.520 0.000 1.027 277 L HN 0.656 nan 8.230 nan 0.000 0.476 278 H N -1.388 117.660 119.070 -0.036 0.000 2.961 278 H HA 0.579 5.135 4.556 -0.000 0.000 0.371 278 H C -1.011 174.258 175.328 -0.097 0.000 1.190 278 H CA -0.792 55.211 56.048 -0.076 0.000 1.138 278 H CB 2.214 31.898 29.762 -0.130 0.000 1.816 278 H HN -0.139 nan 8.280 nan 0.000 0.551 279 R N 1.837 122.341 120.500 0.008 0.000 2.686 279 R HA 0.537 4.877 4.340 -0.000 0.000 0.286 279 R C -1.770 174.437 176.300 -0.155 0.000 0.969 279 R CA -0.779 55.255 56.100 -0.110 0.000 0.898 279 R CB 1.229 31.431 30.300 -0.163 0.000 1.183 279 R HN 0.589 nan 8.270 nan 0.000 0.456 280 L N 4.969 126.071 121.223 -0.201 0.000 2.342 280 L HA 0.540 4.879 4.340 -0.000 0.000 0.276 280 L C -0.105 176.652 176.870 -0.189 0.000 0.997 280 L CA -0.801 53.917 54.840 -0.205 0.000 0.838 280 L CB 1.745 43.624 42.059 -0.299 0.000 1.224 280 L HN 0.552 nan 8.230 nan 0.000 0.416 281 R N 1.392 121.740 120.500 -0.253 0.000 2.441 281 R HA 0.414 4.754 4.340 -0.000 0.000 0.284 281 R C 0.617 176.471 176.300 -0.743 0.000 1.070 281 R CA -0.410 55.508 56.100 -0.304 0.000 1.047 281 R CB 0.962 31.195 30.300 -0.111 0.000 1.016 281 R HN 0.729 nan 8.270 nan 0.000 0.477 282 G N 0.443 108.749 108.800 -0.824 0.000 2.636 282 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.246 282 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.246 282 G C 0.234 174.825 174.900 -0.514 0.000 1.216 282 G CA -0.290 44.099 45.100 -1.185 0.000 0.854 282 G HN 0.819 nan 8.290 nan 0.000 0.572 283 E N -1.090 118.930 120.200 -0.301 0.000 2.162 283 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 283 E C 0.855 177.537 176.600 0.137 0.000 0.953 283 E CA 0.242 56.651 56.400 0.014 0.000 0.849 283 E CB 0.151 29.992 29.700 0.236 0.000 0.810 283 E HN 0.511 nan 8.360 nan 0.000 0.470 284 Q N 0.725 120.653 119.800 0.213 0.000 2.305 284 Q HA 0.272 4.612 4.340 -0.000 0.000 0.271 284 Q C -1.088 175.009 176.000 0.161 0.000 1.046 284 Q CA -0.602 55.309 55.803 0.180 0.000 0.798 284 Q CB 1.546 30.392 28.738 0.180 0.000 1.286 284 Q HN 0.080 nan 8.270 nan 0.000 0.435 285 M N 2.360 122.028 119.600 0.112 0.000 2.252 285 M HA 0.111 4.591 4.480 -0.000 0.000 0.329 285 M C 1.059 177.448 176.300 0.149 0.000 1.101 285 M CA 1.556 56.929 55.300 0.122 0.000 1.117 285 M CB 0.379 33.035 32.600 0.094 0.000 1.563 285 M HN 1.027 nan 8.290 nan 0.000 0.445 286 A N 0.427 123.356 122.820 0.182 0.000 3.420 286 A HA -0.223 4.097 4.320 -0.000 0.000 0.269 286 A C 1.529 179.291 177.584 0.298 0.000 1.122 286 A CA 1.507 53.685 52.037 0.235 0.000 1.023 286 A CB -2.576 16.530 19.000 0.177 0.000 1.099 286 A HN 1.046 nan 8.150 nan 0.000 0.860 287 S N -2.685 113.196 115.700 0.303 0.000 2.561 287 S HA 0.127 4.597 4.470 -0.000 0.000 0.225 287 S C 0.753 175.626 174.600 0.455 0.000 0.977 287 S CA 1.195 59.617 58.200 0.370 0.000 0.926 287 S CB -0.434 63.043 63.200 0.462 0.000 0.769 287 S HN 1.670 nan 8.310 nan 0.000 0.533 288 Y N -0.370 120.067 120.300 0.228 0.000 3.929 288 Y HA -0.234 4.316 4.550 -0.000 0.000 0.225 288 Y C 0.083 176.124 175.900 0.235 0.000 1.200 288 Y CA -0.031 58.182 58.100 0.188 0.000 1.791 288 Y CB -2.548 35.981 38.460 0.116 0.000 1.561 288 Y HN 0.566 nan 8.280 nan 0.000 0.657 289 F N 1.273 121.314 119.950 0.153 0.000 2.569 289 F HA 0.306 4.833 4.527 -0.000 0.000 0.395 289 F C 1.293 177.104 175.800 0.018 0.000 1.028 289 F CA 1.873 59.929 58.000 0.095 0.000 1.158 289 F CB 0.181 39.193 39.000 0.020 0.000 1.023 289 F HN 0.389 nan 8.300 nan 0.000 0.547 290 G N 4.281 112.889 108.800 -0.321 0.000 2.184 290 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.206 290 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.206 290 G C 1.219 176.095 174.900 -0.040 0.000 0.995 290 G CA 0.190 45.160 45.100 -0.217 0.000 0.651 290 G HN 0.824 nan 8.290 nan 0.000 0.511 291 H N 0.724 119.785 119.070 -0.015 0.000 2.352 291 H HA 0.088 4.644 4.556 -0.000 0.000 0.299 291 H C 0.485 175.889 175.328 0.126 0.000 1.097 291 H CA 2.009 58.139 56.048 0.136 0.000 1.311 291 H CB 0.241 30.151 29.762 0.246 0.000 1.377 291 H HN 0.389 nan 8.280 nan 0.000 0.504 292 S N 0.729 116.462 115.700 0.055 0.000 2.521 292 S HA 0.471 4.941 4.470 -0.000 0.000 0.295 292 S C -0.725 173.836 174.600 -0.066 0.000 1.098 292 S CA -0.535 57.645 58.200 -0.034 0.000 0.999 292 S CB 2.692 65.909 63.200 0.027 0.000 1.034 292 S HN 0.322 nan 8.310 nan 0.000 0.483 293 V N -0.614 119.258 119.914 -0.070 0.000 2.789 293 V HA 1.063 5.183 4.120 -0.000 0.000 0.311 293 V C -0.529 175.553 176.094 -0.020 0.000 1.073 293 V CA -1.012 61.251 62.300 -0.061 0.000 0.921 293 V CB 1.199 32.973 31.823 -0.082 0.000 1.009 293 V HN 1.105 nan 8.190 nan 0.000 0.426 294 A N 2.922 125.753 122.820 0.019 0.000 2.486 294 A HA 0.900 5.220 4.320 -0.000 0.000 0.300 294 A C -1.202 176.454 177.584 0.119 0.000 1.048 294 A CA -0.674 51.395 52.037 0.054 0.000 0.696 294 A CB 2.212 21.236 19.000 0.039 0.000 1.278 294 A HN 1.425 nan 8.150 nan 0.000 0.405 295 V N 1.452 121.455 119.914 0.149 0.000 2.444 295 V HA 0.856 4.976 4.120 -0.000 0.000 0.294 295 V C -0.013 176.224 176.094 0.238 0.000 1.022 295 V CA -0.027 62.416 62.300 0.238 0.000 0.850 295 V CB 1.400 33.363 31.823 0.232 0.000 0.992 295 V HN 1.171 nan 8.190 nan 0.000 0.426 296 T N 2.326 117.030 114.554 0.250 0.000 2.893 296 T HA 0.260 4.610 4.350 -0.000 0.000 0.337 296 T C -1.989 172.767 174.700 0.094 0.000 1.587 296 T CA -0.574 61.632 62.100 0.176 0.000 1.066 296 T CB 1.757 70.692 68.868 0.112 0.000 1.414 296 T HN 0.736 nan 8.240 nan 0.000 0.488 297 D N 2.540 122.917 120.400 -0.038 0.000 2.393 297 D HA 0.321 4.961 4.640 -0.000 0.000 0.232 297 D C 1.472 177.790 176.300 0.030 0.000 1.192 297 D CA -0.140 53.831 54.000 -0.048 0.000 0.882 297 D CB 0.794 41.491 40.800 -0.173 0.000 1.038 297 D HN 0.417 nan 8.370 nan 0.000 0.499 298 V N 1.859 121.814 119.914 0.069 0.000 3.471 298 V HA 0.117 4.237 4.120 -0.000 0.000 0.258 298 V C 1.131 177.293 176.094 0.114 0.000 1.192 298 V CA 0.509 62.863 62.300 0.090 0.000 1.116 298 V CB -0.420 31.443 31.823 0.066 0.000 0.792 298 V HN 0.531 nan 8.190 nan 0.000 0.459 299 N N 1.166 119.933 118.700 0.112 0.000 2.235 299 N HA 0.206 4.946 4.740 -0.000 0.000 0.209 299 N C 1.334 177.026 175.510 0.304 0.000 1.122 299 N CA 0.358 53.487 53.050 0.133 0.000 0.845 299 N CB 0.193 38.709 38.487 0.048 0.000 1.004 299 N HN 0.799 nan 8.380 nan 0.000 0.499 300 G N 1.958 110.916 108.800 0.263 0.000 2.305 300 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.287 300 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.287 300 G C 0.175 175.110 174.900 0.058 0.000 1.036 300 G CA 0.698 45.872 45.100 0.124 0.000 0.887 300 G HN 0.669 nan 8.290 nan 0.000 0.505 301 D N -1.554 118.875 120.400 0.048 0.000 2.398 301 D HA 0.350 4.990 4.640 -0.000 0.000 0.210 301 D C 1.768 178.061 176.300 -0.010 0.000 1.094 301 D CA 0.556 54.571 54.000 0.024 0.000 0.839 301 D CB -0.393 40.431 40.800 0.039 0.000 0.963 301 D HN 1.450 nan 8.370 nan 0.000 0.506 302 G N 0.601 109.375 108.800 -0.043 0.000 2.195 302 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.246 302 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.246 302 G C 0.196 175.038 174.900 -0.098 0.000 0.984 302 G CA -0.136 44.917 45.100 -0.078 0.000 0.633 302 G HN 0.431 nan 8.290 nan 0.000 0.525 303 R N 0.434 120.896 120.500 -0.062 0.000 2.294 303 R HA 0.500 4.840 4.340 -0.000 0.000 0.319 303 R C -0.160 176.099 176.300 -0.068 0.000 0.984 303 R CA -0.828 55.249 56.100 -0.038 0.000 0.861 303 R CB 0.635 30.954 30.300 0.032 0.000 1.104 303 R HN 0.458 nan 8.270 nan 0.000 0.451 304 H N 0.948 119.936 119.070 -0.138 0.000 2.972 304 H HA -0.000 4.556 4.556 -0.000 0.000 0.343 304 H C -0.129 175.224 175.328 0.041 0.000 1.054 304 H CA 1.024 56.980 56.048 -0.153 0.000 1.412 304 H CB 0.511 29.987 29.762 -0.475 0.000 1.385 304 H HN 0.399 nan 8.280 nan 0.000 0.600 305 D N 1.139 121.694 120.400 0.258 0.000 2.392 305 D HA 0.312 4.952 4.640 -0.000 0.000 0.246 305 D C -0.629 175.917 176.300 0.411 0.000 1.013 305 D CA -0.680 53.516 54.000 0.327 0.000 0.993 305 D CB 2.234 43.154 40.800 0.199 0.000 1.219 305 D HN 0.119 nan 8.370 nan 0.000 0.538 306 L N 0.456 121.903 121.223 0.373 0.000 2.362 306 L HA 0.534 4.874 4.340 -0.000 0.000 0.271 306 L C -1.710 175.333 176.870 0.288 0.000 1.002 306 L CA -0.511 54.510 54.840 0.301 0.000 0.818 306 L CB 1.454 43.591 42.059 0.130 0.000 1.298 306 L HN 0.292 nan 8.230 nan 0.000 0.420 307 L N 5.450 126.789 121.223 0.194 0.000 2.376 307 L HA 0.694 5.034 4.340 -0.000 0.000 0.275 307 L C -1.040 175.885 176.870 0.092 0.000 0.987 307 L CA -0.681 54.252 54.840 0.156 0.000 0.828 307 L CB 2.107 44.212 42.059 0.077 0.000 1.249 307 L HN 0.344 nan 8.230 nan 0.000 0.409 308 V N 1.522 121.508 119.914 0.119 0.000 2.628 308 V HA 0.715 4.835 4.120 -0.000 0.000 0.306 308 V C 0.350 176.437 176.094 -0.012 0.000 1.045 308 V CA -0.585 61.659 62.300 -0.092 0.000 0.905 308 V CB 1.916 33.479 31.823 -0.432 0.000 0.997 308 V HN 0.817 nan 8.190 nan 0.000 0.436 309 G N 2.293 111.051 108.800 -0.070 0.000 2.422 309 G HA2 0.621 4.581 3.960 -0.000 0.000 0.317 309 G HA3 0.621 4.581 3.960 -0.000 0.000 0.317 309 G C -0.332 174.646 174.900 0.130 0.000 1.210 309 G CA -0.261 44.881 45.100 0.070 0.000 0.930 309 G HN 1.097 nan 8.290 nan 0.000 0.468 310 A N 5.121 128.116 122.820 0.292 0.000 2.786 310 A HA 0.663 4.983 4.320 -0.000 0.000 0.346 310 A C -1.321 176.484 177.584 0.369 0.000 1.265 310 A CA -1.392 50.884 52.037 0.399 0.000 0.858 310 A CB 1.278 20.662 19.000 0.639 0.000 1.118 310 A HN 0.457 nan 8.150 nan 0.000 0.482 311 P HA -0.052 nan 4.420 nan 0.000 0.229 311 P C 0.712 178.157 177.300 0.241 0.000 1.160 311 P CA 0.742 63.969 63.100 0.211 0.000 0.777 311 P CB 0.247 31.971 31.700 0.040 0.000 0.814 312 L N -1.655 119.723 121.223 0.258 0.000 2.685 312 L HA 0.210 4.550 4.340 -0.000 0.000 0.233 312 L C 0.792 177.821 176.870 0.265 0.000 1.173 312 L CA -0.830 54.153 54.840 0.238 0.000 0.961 312 L CB -0.739 41.437 42.059 0.194 0.000 1.217 312 L HN -0.085 nan 8.230 nan 0.000 0.478 313 Y N 2.089 122.514 120.300 0.208 0.000 2.620 313 Y HA 0.095 4.645 4.550 -0.000 0.000 0.330 313 Y C 0.356 176.332 175.900 0.126 0.000 1.186 313 Y CA 0.233 58.447 58.100 0.191 0.000 1.467 313 Y CB 0.453 39.046 38.460 0.222 0.000 1.262 313 Y HN 0.052 nan 8.280 nan 0.000 0.550 314 M N 6.696 125.973 119.600 -0.539 0.000 2.066 314 M HA 0.209 4.689 4.480 -0.000 0.000 0.340 314 M C -0.487 175.518 176.300 -0.492 0.000 1.053 314 M CA -0.313 54.773 55.300 -0.356 0.000 0.983 314 M CB 1.152 33.623 32.600 -0.216 0.000 1.520 314 M HN 0.673 nan 8.290 nan 0.000 0.428 315 E N 1.834 121.945 120.200 -0.149 0.000 2.354 315 E HA 0.232 4.582 4.350 -0.000 0.000 0.269 315 E C -0.647 175.934 176.600 -0.032 0.000 1.036 315 E CA -0.189 56.219 56.400 0.012 0.000 0.876 315 E CB 1.076 30.842 29.700 0.110 0.000 1.009 315 E HN 0.568 nan 8.360 nan 0.000 0.416 316 S N 2.794 118.493 115.700 -0.001 0.000 2.576 316 S HA 0.361 4.831 4.470 -0.000 0.000 0.276 316 S C -0.117 174.481 174.600 -0.003 0.000 1.339 316 S CA -0.326 57.869 58.200 -0.008 0.000 1.039 316 S CB 0.734 63.938 63.200 0.007 0.000 0.902 316 S HN 0.432 nan 8.310 nan 0.000 0.516 317 R N 0.066 120.560 120.500 -0.010 0.000 2.810 317 R HA 0.620 4.960 4.340 -0.000 0.000 0.266 317 R C -0.798 175.497 176.300 -0.008 0.000 1.061 317 R CA -1.092 55.002 56.100 -0.009 0.000 0.943 317 R CB 0.917 31.208 30.300 -0.016 0.000 1.237 317 R HN 0.654 nan 8.270 nan 0.000 0.459 318 A N 0.971 123.787 122.820 -0.007 0.000 2.561 318 A HA 0.098 4.418 4.320 -0.000 0.000 0.234 318 A C -0.366 177.214 177.584 -0.005 0.000 1.055 318 A CA 0.744 52.778 52.037 -0.005 0.000 0.756 318 A CB -0.355 18.643 19.000 -0.005 0.000 0.986 318 A HN 0.796 nan 8.150 nan 0.000 0.505 319 D N 0.080 120.478 120.400 -0.004 0.000 2.723 319 D HA -0.195 4.445 4.640 -0.000 0.000 0.236 319 D C 0.508 176.806 176.300 -0.005 0.000 1.138 319 D CA 1.544 55.542 54.000 -0.003 0.000 0.676 319 D CB -1.237 39.561 40.800 -0.003 0.000 1.069 319 D HN 0.817 nan 8.370 nan 0.000 0.430 320 R N -2.382 118.115 120.500 -0.005 0.000 3.953 320 R HA -0.257 4.083 4.340 -0.000 0.000 0.340 320 R C -0.210 176.084 176.300 -0.010 0.000 1.195 320 R CA 1.276 57.372 56.100 -0.006 0.000 0.929 320 R CB -1.325 28.972 30.300 -0.005 0.000 1.402 320 R HN 0.369 nan 8.270 nan 0.000 0.540 321 K N 1.223 121.616 120.400 -0.012 0.000 2.234 321 K HA 0.355 4.675 4.320 -0.000 0.000 0.282 321 K C 0.172 176.756 176.600 -0.026 0.000 1.039 321 K CA -0.333 55.944 56.287 -0.016 0.000 0.928 321 K CB 0.933 33.424 32.500 -0.015 0.000 1.039 321 K HN 0.002 nan 8.250 nan 0.000 0.470 322 L N 1.841 123.044 121.223 -0.034 0.000 2.360 322 L HA 0.546 4.886 4.340 -0.000 0.000 0.271 322 L C -0.151 176.681 176.870 -0.062 0.000 1.057 322 L CA -0.600 54.207 54.840 -0.054 0.000 0.803 322 L CB 1.572 43.594 42.059 -0.063 0.000 1.207 322 L HN 0.677 nan 8.230 nan 0.000 0.445 323 A N 1.888 124.660 122.820 -0.080 0.000 2.446 323 A HA 0.299 4.619 4.320 -0.000 0.000 0.282 323 A C -0.563 176.960 177.584 -0.102 0.000 1.102 323 A CA -0.532 51.443 52.037 -0.103 0.000 0.737 323 A CB 0.906 19.850 19.000 -0.092 0.000 1.212 323 A HN 0.734 nan 8.150 nan 0.000 0.434 324 E N 2.130 122.255 120.200 -0.124 0.000 2.383 324 E HA 0.224 4.573 4.350 -0.000 0.000 0.257 324 E C 0.653 177.237 176.600 -0.027 0.000 1.079 324 E CA 0.504 56.879 56.400 -0.042 0.000 0.934 324 E CB 0.415 30.138 29.700 0.038 0.000 0.978 324 E HN 0.802 nan 8.360 nan 0.000 0.462 325 V N 1.437 121.398 119.914 0.077 0.000 3.480 325 V HA 0.467 4.587 4.120 -0.000 0.000 0.263 325 V C 0.680 176.904 176.094 0.217 0.000 1.442 325 V CA 0.424 62.788 62.300 0.106 0.000 1.053 325 V CB -0.048 31.802 31.823 0.045 0.000 0.846 325 V HN 0.830 nan 8.190 nan 0.000 0.440 326 G N 0.695 109.673 108.800 0.297 0.000 2.690 326 G HA2 0.052 4.012 3.960 -0.000 0.000 0.686 326 G HA3 0.052 4.012 3.960 -0.000 0.000 0.686 326 G C -0.681 174.432 174.900 0.354 0.000 1.277 326 G CA -0.136 45.188 45.100 0.373 0.000 0.799 326 G HN 0.913 nan 8.290 nan 0.000 0.613 327 R N -0.572 120.133 120.500 0.341 0.000 2.604 327 R HA 0.641 4.981 4.340 -0.000 0.000 0.270 327 R C -1.319 175.075 176.300 0.156 0.000 1.052 327 R CA -0.803 55.367 56.100 0.117 0.000 0.902 327 R CB 2.092 32.156 30.300 -0.393 0.000 1.233 327 R HN 0.831 nan 8.270 nan 0.000 0.455 328 V N 4.361 124.327 119.914 0.087 0.000 2.459 328 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 328 V C -1.225 174.791 176.094 -0.129 0.000 1.029 328 V CA -0.590 61.739 62.300 0.049 0.000 0.874 328 V CB 1.566 33.389 31.823 -0.001 0.000 0.985 328 V HN 0.608 nan 8.190 nan 0.000 0.438 329 Y N 4.679 124.973 120.300 -0.011 0.000 2.352 329 Y HA 0.679 5.229 4.550 -0.000 0.000 0.339 329 Y C -0.195 175.620 175.900 -0.142 0.000 0.992 329 Y CA -1.008 57.036 58.100 -0.093 0.000 1.100 329 Y CB 1.704 40.213 38.460 0.082 0.000 1.192 329 Y HN 0.511 nan 8.280 nan 0.000 0.458 330 L N 4.484 125.593 121.223 -0.190 0.000 2.313 330 L HA 0.669 5.009 4.340 -0.000 0.000 0.283 330 L C -1.894 174.781 176.870 -0.325 0.000 1.013 330 L CA -0.775 53.989 54.840 -0.126 0.000 0.816 330 L CB 0.297 42.295 42.059 -0.101 0.000 1.236 330 L HN 0.399 nan 8.230 nan 0.000 0.419 331 F N 5.808 125.805 119.950 0.078 0.000 2.445 331 F HA 0.481 5.008 4.527 -0.000 0.000 0.348 331 F C -0.232 175.616 175.800 0.081 0.000 1.125 331 F CA -0.607 57.433 58.000 0.067 0.000 0.983 331 F CB 1.177 40.204 39.000 0.045 0.000 1.198 331 F HN 0.257 nan 8.300 nan 0.000 0.436 332 L N 2.965 124.300 121.223 0.186 0.000 2.397 332 L HA 0.289 4.629 4.340 -0.000 0.000 0.271 332 L C 0.282 177.258 176.870 0.177 0.000 1.148 332 L CA -0.406 54.528 54.840 0.156 0.000 0.825 332 L CB 0.981 43.091 42.059 0.085 0.000 1.117 332 L HN 0.612 nan 8.230 nan 0.000 0.456 333 Q N 4.799 124.712 119.800 0.189 0.000 2.279 333 Q HA 0.336 4.676 4.340 -0.000 0.000 0.256 333 Q C -2.288 173.785 176.000 0.122 0.000 0.937 333 Q CA -1.671 54.246 55.803 0.190 0.000 0.933 333 Q CB 1.545 30.439 28.738 0.261 0.000 1.189 333 Q HN 0.300 nan 8.270 nan 0.000 0.417 334 P HA 0.157 nan 4.420 nan 0.000 0.282 334 P C -1.101 176.244 177.300 0.076 0.000 1.287 334 P CA -0.411 62.722 63.100 0.055 0.000 0.792 334 P CB 0.791 32.502 31.700 0.019 0.000 1.163 335 R N -0.900 119.621 120.500 0.034 0.000 2.541 335 R HA 0.576 4.916 4.340 -0.000 0.000 0.263 335 R C 0.465 176.873 176.300 0.180 0.000 1.112 335 R CA 0.082 56.226 56.100 0.073 0.000 1.170 335 R CB -0.641 29.679 30.300 0.034 0.000 1.167 335 R HN 0.736 nan 8.270 nan 0.000 0.582 336 G N 0.688 109.602 108.800 0.191 0.000 2.752 336 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.234 336 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.234 336 G C -2.123 172.919 174.900 0.237 0.000 1.367 336 G CA -0.250 45.004 45.100 0.255 0.000 0.879 336 G HN 0.674 nan 8.290 nan 0.000 0.563 337 P HA 0.274 nan 4.420 nan 0.000 0.230 337 P C -0.566 176.621 177.300 -0.189 0.000 1.791 337 P CA 0.387 63.469 63.100 -0.029 0.000 1.020 337 P CB -0.478 31.175 31.700 -0.078 0.000 1.977 338 H N 0.303 119.424 119.070 0.085 0.000 2.538 338 H HA 0.606 5.162 4.556 -0.000 0.000 0.353 338 H C 0.279 175.652 175.328 0.075 0.000 1.109 338 H CA -0.603 55.488 56.048 0.072 0.000 1.192 338 H CB 1.800 31.593 29.762 0.052 0.000 1.555 338 H HN 0.248 nan 8.280 nan 0.000 0.518 339 A N 2.417 125.322 122.820 0.143 0.000 2.296 339 A HA 0.353 4.673 4.320 -0.000 0.000 0.264 339 A C -0.410 177.066 177.584 -0.180 0.000 1.097 339 A CA -0.500 51.495 52.037 -0.071 0.000 0.811 339 A CB 0.225 19.239 19.000 0.023 0.000 1.072 339 A HN 0.523 nan 8.150 nan 0.000 0.495 340 L N 0.866 121.799 121.223 -0.485 0.000 2.456 340 L HA 0.398 4.738 4.340 -0.000 0.000 0.272 340 L C 1.214 178.037 176.870 -0.078 0.000 1.189 340 L CA 1.520 56.232 54.840 -0.214 0.000 0.846 340 L CB 0.410 42.285 42.059 -0.307 0.000 1.111 340 L HN 0.896 nan 8.230 nan 0.000 0.475 341 G N 1.039 109.882 108.800 0.073 0.000 3.194 341 G HA2 0.679 4.639 3.960 -0.000 0.000 0.160 341 G HA3 0.679 4.639 3.960 -0.000 0.000 0.160 341 G C -0.525 174.513 174.900 0.230 0.000 1.267 341 G CA -0.003 45.163 45.100 0.109 0.000 0.962 341 G HN 0.866 nan 8.290 nan 0.000 0.612 342 A N 0.086 123.013 122.820 0.178 0.000 2.327 342 A HA 0.623 4.943 4.320 -0.000 0.000 0.255 342 A C -2.237 175.412 177.584 0.109 0.000 1.099 342 A CA -0.669 51.479 52.037 0.184 0.000 0.801 342 A CB -0.370 18.683 19.000 0.087 0.000 1.062 342 A HN 0.369 nan 8.150 nan 0.000 0.496 343 P HA 0.211 nan 4.420 nan 0.000 0.271 343 P C 0.334 177.493 177.300 -0.236 0.000 1.216 343 P CA 0.013 62.802 63.100 -0.519 0.000 0.771 343 P CB 0.966 32.381 31.700 -0.474 0.000 0.864 344 S N 1.608 117.178 115.700 -0.216 0.000 2.428 344 S HA 0.023 4.493 4.470 -0.000 0.000 0.230 344 S C 0.590 175.116 174.600 -0.123 0.000 1.014 344 S CA 0.755 58.888 58.200 -0.110 0.000 0.957 344 S CB -0.339 62.823 63.200 -0.062 0.000 0.784 344 S HN 0.411 nan 8.310 nan 0.000 0.499 345 L N 0.307 121.424 121.223 -0.178 0.000 2.506 345 L HA 0.509 4.849 4.340 -0.000 0.000 0.257 345 L C -2.104 174.632 176.870 -0.224 0.000 0.964 345 L CA -0.512 54.229 54.840 -0.165 0.000 0.836 345 L CB 1.460 43.439 42.059 -0.134 0.000 1.384 345 L HN 0.005 nan 8.230 nan 0.000 0.410 346 L N 5.195 126.282 121.223 -0.227 0.000 2.325 346 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 346 L C -1.024 175.682 176.870 -0.273 0.000 1.004 346 L CA -0.628 54.014 54.840 -0.329 0.000 0.823 346 L CB 1.644 43.487 42.059 -0.359 0.000 1.236 346 L HN 0.465 nan 8.230 nan 0.000 0.415 347 L N 3.327 124.385 121.223 -0.274 0.000 2.280 347 L HA 0.491 4.831 4.340 -0.000 0.000 0.287 347 L C -0.156 176.566 176.870 -0.248 0.000 1.023 347 L CA -0.294 54.427 54.840 -0.199 0.000 0.819 347 L CB 1.679 43.659 42.059 -0.132 0.000 1.212 347 L HN 0.579 nan 8.230 nan 0.000 0.420 348 T N 1.311 115.650 114.554 -0.359 0.000 2.867 348 T HA 0.456 4.805 4.350 -0.000 0.000 0.282 348 T C 0.617 174.877 174.700 -0.732 0.000 1.000 348 T CA -0.499 61.364 62.100 -0.395 0.000 1.042 348 T CB 1.841 70.583 68.868 -0.211 0.000 0.973 348 T HN 0.682 nan 8.240 nan 0.000 0.465 349 G N 0.699 109.071 108.800 -0.714 0.000 2.634 349 G HA2 0.383 4.343 3.960 -0.000 0.000 0.255 349 G HA3 0.383 4.343 3.960 -0.000 0.000 0.255 349 G C 0.935 175.681 174.900 -0.257 0.000 1.205 349 G CA -0.051 44.664 45.100 -0.642 0.000 0.884 349 G HN 0.808 nan 8.290 nan 0.000 0.549 350 T N -2.897 111.575 114.554 -0.137 0.000 2.964 350 T HA 0.178 4.528 4.350 -0.000 0.000 0.249 350 T C 0.875 175.569 174.700 -0.009 0.000 1.000 350 T CA 0.008 62.071 62.100 -0.061 0.000 0.992 350 T CB 0.180 69.020 68.868 -0.048 0.000 1.087 350 T HN 0.400 nan 8.240 nan 0.000 0.489 351 Q N 1.602 121.425 119.800 0.037 0.000 2.267 351 Q HA 0.539 4.879 4.340 -0.000 0.000 0.255 351 Q C -0.678 175.345 176.000 0.039 0.000 0.923 351 Q CA -0.848 54.990 55.803 0.058 0.000 0.925 351 Q CB 0.930 29.738 28.738 0.117 0.000 1.195 351 Q HN 0.401 nan 8.270 nan 0.000 0.417 352 L N 5.189 126.393 121.223 -0.031 0.000 2.490 352 L HA 0.036 4.376 4.340 -0.000 0.000 0.274 352 L C -0.577 176.240 176.870 -0.088 0.000 1.201 352 L CA 0.888 55.607 54.840 -0.202 0.000 0.869 352 L CB -0.243 41.607 42.059 -0.347 0.000 1.123 352 L HN 0.806 nan 8.230 nan 0.000 0.484 353 Y N 1.629 121.988 120.300 0.098 0.000 4.324 353 Y HA -0.257 4.293 4.550 -0.000 0.000 0.224 353 Y C 1.697 177.711 175.900 0.190 0.000 1.113 353 Y CA 0.939 59.104 58.100 0.109 0.000 1.887 353 Y CB -2.264 36.227 38.460 0.052 0.000 1.602 353 Y HN 0.700 nan 8.280 nan 0.000 0.654 354 G N -0.038 108.941 108.800 0.298 0.000 2.484 354 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.218 354 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.218 354 G C 0.945 176.054 174.900 0.349 0.000 1.130 354 G CA 0.399 45.696 45.100 0.328 0.000 0.784 354 G HN 0.495 nan 8.290 nan 0.000 0.543 355 R N -1.516 119.179 120.500 0.326 0.000 3.422 355 R HA -0.193 4.146 4.340 -0.000 0.000 0.267 355 R C -0.114 176.336 176.300 0.249 0.000 1.074 355 R CA 0.250 56.516 56.100 0.277 0.000 0.718 355 R CB -2.529 27.942 30.300 0.285 0.000 1.157 355 R HN 0.384 nan 8.270 nan 0.000 0.440 356 F N 1.215 121.248 119.950 0.139 0.000 2.623 356 F HA 0.128 4.655 4.527 -0.000 0.000 0.383 356 F C 1.639 177.499 175.800 0.100 0.000 1.077 356 F CA 2.063 60.131 58.000 0.114 0.000 1.268 356 F CB 0.509 39.572 39.000 0.106 0.000 1.053 356 F HN 0.419 nan 8.300 nan 0.000 0.571 357 G N 3.324 111.872 108.800 -0.420 0.000 2.136 357 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.242 357 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.242 357 G C 1.052 175.942 174.900 -0.017 0.000 0.989 357 G CA 0.580 45.550 45.100 -0.216 0.000 0.682 357 G HN 0.974 nan 8.290 nan 0.000 0.522 358 S N -0.891 114.800 115.700 -0.016 0.000 2.428 358 S HA 0.531 5.001 4.470 -0.000 0.000 0.230 358 S C 1.291 175.917 174.600 0.043 0.000 1.014 358 S CA 1.871 60.105 58.200 0.056 0.000 0.957 358 S CB -0.094 63.126 63.200 0.034 0.000 0.784 358 S HN 1.923 nan 8.310 nan 0.000 0.499 359 A N 0.292 123.061 122.820 -0.086 0.000 2.475 359 A HA 0.764 5.084 4.320 -0.000 0.000 0.301 359 A C -1.250 176.258 177.584 -0.127 0.000 1.059 359 A CA -0.684 51.274 52.037 -0.131 0.000 0.710 359 A CB 1.158 20.049 19.000 -0.181 0.000 1.288 359 A HN 0.370 nan 8.150 nan 0.000 0.408 360 I N 1.411 121.923 120.570 -0.096 0.000 2.497 360 I HA 0.545 4.715 4.170 -0.000 0.000 0.284 360 I C 0.061 176.157 176.117 -0.036 0.000 1.060 360 I CA -0.375 60.881 61.300 -0.072 0.000 1.071 360 I CB 2.016 39.982 38.000 -0.057 0.000 1.216 360 I HN 0.734 nan 8.210 nan 0.000 0.442 361 A N 7.789 130.600 122.820 -0.015 0.000 2.291 361 A HA 0.819 5.139 4.320 -0.000 0.000 0.311 361 A C -2.735 174.876 177.584 0.044 0.000 1.224 361 A CA -1.700 50.346 52.037 0.015 0.000 0.821 361 A CB 0.652 19.661 19.000 0.014 0.000 1.172 361 A HN 0.319 nan 8.150 nan 0.000 0.494 362 P HA 0.176 nan 4.420 nan 0.000 0.267 362 P C 0.269 177.609 177.300 0.066 0.000 1.205 362 P CA 0.125 63.265 63.100 0.066 0.000 0.765 362 P CB 0.576 32.319 31.700 0.073 0.000 0.828 363 L N 1.988 123.249 121.223 0.063 0.000 2.640 363 L HA 0.265 4.605 4.340 -0.000 0.000 0.230 363 L C 1.468 178.357 176.870 0.033 0.000 1.123 363 L CA 0.367 55.241 54.840 0.056 0.000 0.900 363 L CB -0.662 41.435 42.059 0.064 0.000 1.146 363 L HN 0.677 nan 8.230 nan 0.000 0.484 364 G N 0.879 109.696 108.800 0.030 0.000 2.539 364 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.256 364 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.256 364 G C -0.418 174.493 174.900 0.019 0.000 1.233 364 G CA -0.040 45.066 45.100 0.009 0.000 0.936 364 G HN 0.235 nan 8.290 nan 0.000 0.571 365 D N 0.837 121.235 120.400 -0.004 0.000 2.500 365 D HA 0.427 5.067 4.640 -0.000 0.000 0.219 365 D C 1.581 177.892 176.300 0.019 0.000 1.137 365 D CA -0.533 53.471 54.000 0.006 0.000 0.946 365 D CB 0.790 41.571 40.800 -0.033 0.000 1.022 365 D HN 0.378 nan 8.370 nan 0.000 0.518 366 L N 3.351 124.610 121.223 0.060 0.000 2.042 366 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 366 L C 1.292 178.262 176.870 0.167 0.000 1.076 366 L CA 1.949 56.850 54.840 0.101 0.000 0.749 366 L CB -0.217 41.895 42.059 0.089 0.000 0.893 366 L HN 0.389 nan 8.230 nan 0.000 0.432 367 D N -1.887 118.592 120.400 0.132 0.000 2.363 367 D HA -0.011 4.628 4.640 -0.000 0.000 0.214 367 D C 0.600 176.963 176.300 0.106 0.000 1.093 367 D CA -0.280 53.822 54.000 0.169 0.000 0.837 367 D CB -0.299 40.575 40.800 0.123 0.000 0.948 367 D HN 0.292 nan 8.370 nan 0.000 0.507 368 R N 0.707 121.210 120.500 0.003 0.000 3.333 368 R HA -0.149 4.191 4.340 -0.000 0.000 0.256 368 R C -0.077 176.197 176.300 -0.044 0.000 1.010 368 R CA 1.013 57.059 56.100 -0.090 0.000 0.680 368 R CB -1.552 28.600 30.300 -0.247 0.000 1.102 368 R HN 0.417 nan 8.270 nan 0.000 0.440 369 D N -1.657 118.740 120.400 -0.005 0.000 2.369 369 D HA 0.121 4.760 4.640 -0.000 0.000 0.211 369 D C 1.304 177.550 176.300 -0.090 0.000 1.077 369 D CA 0.893 54.895 54.000 0.003 0.000 0.842 369 D CB 0.497 41.350 40.800 0.088 0.000 0.947 369 D HN 0.397 nan 8.370 nan 0.000 0.509 370 G N -0.371 108.340 108.800 -0.147 0.000 2.436 370 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.204 370 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.204 370 G C -0.238 174.445 174.900 -0.362 0.000 1.026 370 G CA -0.276 44.635 45.100 -0.316 0.000 0.658 370 G HN 0.319 nan 8.290 nan 0.000 0.499 371 Y N 2.438 122.733 120.300 -0.009 0.000 2.313 371 Y HA 0.565 5.115 4.550 -0.000 0.000 0.332 371 Y C 0.720 176.621 175.900 0.002 0.000 1.071 371 Y CA -1.016 57.083 58.100 -0.003 0.000 1.169 371 Y CB 0.781 39.247 38.460 0.010 0.000 1.192 371 Y HN 0.070 nan 8.280 nan 0.000 0.487 372 N N 3.168 121.955 118.700 0.146 0.000 2.453 372 N HA 0.067 4.807 4.740 -0.000 0.000 0.253 372 N C -0.818 174.760 175.510 0.113 0.000 1.252 372 N CA 0.111 53.216 53.050 0.092 0.000 0.917 372 N CB 0.559 39.080 38.487 0.057 0.000 1.117 372 N HN 0.600 nan 8.380 nan 0.000 0.442 373 D N 0.251 120.707 120.400 0.095 0.000 2.450 373 D HA 0.587 5.227 4.640 -0.000 0.000 0.238 373 D C 0.357 176.718 176.300 0.102 0.000 1.020 373 D CA -0.357 53.707 54.000 0.107 0.000 1.010 373 D CB 1.895 42.756 40.800 0.102 0.000 1.342 373 D HN 0.482 nan 8.370 nan 0.000 0.530 374 I N -3.366 117.283 120.570 0.132 0.000 3.174 374 I HA 0.850 5.020 4.170 -0.000 0.000 0.313 374 I C -1.465 174.748 176.117 0.159 0.000 1.155 374 I CA -1.199 60.174 61.300 0.121 0.000 0.977 374 I CB 2.333 40.390 38.000 0.095 0.000 1.248 374 I HN 0.357 nan 8.210 nan 0.000 0.453 375 A N 2.867 125.753 122.820 0.111 0.000 2.355 375 A HA 0.834 5.154 4.320 -0.000 0.000 0.317 375 A C -1.102 176.517 177.584 0.058 0.000 1.094 375 A CA -0.655 51.444 52.037 0.103 0.000 0.764 375 A CB 1.748 20.764 19.000 0.027 0.000 1.230 375 A HN 0.561 nan 8.150 nan 0.000 0.448 376 V N 1.544 121.503 119.914 0.076 0.000 2.540 376 V HA 0.670 4.790 4.120 -0.000 0.000 0.302 376 V C 0.466 176.449 176.094 -0.186 0.000 1.035 376 V CA -0.392 61.828 62.300 -0.134 0.000 0.873 376 V CB 1.551 33.185 31.823 -0.316 0.000 0.992 376 V HN 1.228 nan 8.190 nan 0.000 0.428 377 A N 3.725 126.408 122.820 -0.228 0.000 2.301 377 A HA 0.830 5.150 4.320 -0.000 0.000 0.298 377 A C 0.299 177.797 177.584 -0.142 0.000 1.185 377 A CA -0.108 51.831 52.037 -0.164 0.000 0.830 377 A CB 0.971 19.875 19.000 -0.160 0.000 1.112 377 A HN 1.402 nan 8.150 nan 0.000 0.508 378 A N 4.465 127.286 122.820 0.003 0.000 2.938 378 A HA 0.645 4.965 4.320 -0.000 0.000 0.344 378 A C -2.065 175.582 177.584 0.105 0.000 1.142 378 A CA -1.328 50.788 52.037 0.132 0.000 0.841 378 A CB 0.322 19.507 19.000 0.308 0.000 1.083 378 A HN 0.484 nan 8.150 nan 0.000 0.479 379 P HA -0.132 nan 4.420 nan 0.000 0.221 379 P C -0.083 176.960 177.300 -0.429 0.000 1.145 379 P CA 1.602 64.570 63.100 -0.220 0.000 0.795 379 P CB -0.046 31.451 31.700 -0.339 0.000 0.775 380 Y N -1.793 118.626 120.300 0.199 0.000 2.713 380 Y HA 0.471 5.020 4.550 -0.000 0.000 0.269 380 Y C 1.480 177.488 175.900 0.180 0.000 1.106 380 Y CA -0.802 57.405 58.100 0.177 0.000 1.174 380 Y CB -0.089 38.467 38.460 0.160 0.000 1.186 380 Y HN -0.181 nan 8.280 nan 0.000 0.555 381 G N -0.282 108.675 108.800 0.262 0.000 2.525 381 G HA2 0.534 4.494 3.960 -0.000 0.000 0.287 381 G HA3 0.534 4.494 3.960 -0.000 0.000 0.287 381 G C 0.259 175.272 174.900 0.188 0.000 1.350 381 G CA -0.078 45.160 45.100 0.230 0.000 1.039 381 G HN 0.588 nan 8.290 nan 0.000 0.513 382 G N -1.346 107.546 108.800 0.153 0.000 2.722 382 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.686 382 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.686 382 G C -1.488 173.469 174.900 0.096 0.000 1.282 382 G CA -0.061 45.106 45.100 0.112 0.000 0.817 382 G HN 0.528 nan 8.290 nan 0.000 0.605 383 P HA -0.136 nan 4.420 nan 0.000 0.217 383 P C 2.001 179.339 177.300 0.064 0.000 1.148 383 P CA 2.414 65.549 63.100 0.058 0.000 0.834 383 P CB 0.029 31.753 31.700 0.041 0.000 0.783 384 S N -2.793 112.947 115.700 0.066 0.000 2.503 384 S HA 0.272 4.742 4.470 -0.000 0.000 0.217 384 S C 1.705 176.363 174.600 0.097 0.000 0.999 384 S CA 0.519 58.760 58.200 0.067 0.000 0.914 384 S CB -0.921 62.308 63.200 0.049 0.000 0.782 384 S HN 0.279 nan 8.310 nan 0.000 0.520 385 G N 1.928 110.805 108.800 0.127 0.000 2.143 385 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.249 385 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.249 385 G C 0.836 175.868 174.900 0.219 0.000 0.981 385 G CA 0.269 45.483 45.100 0.188 0.000 0.665 385 G HN 0.511 nan 8.290 nan 0.000 0.528 386 R N 0.407 120.999 120.500 0.154 0.000 2.276 386 R HA 0.376 4.716 4.340 -0.000 0.000 0.203 386 R C 1.420 177.818 176.300 0.164 0.000 1.017 386 R CA 0.948 57.132 56.100 0.140 0.000 1.010 386 R CB 0.049 30.387 30.300 0.063 0.000 0.900 386 R HN 1.500 nan 8.270 nan 0.000 0.469 387 G N 0.388 109.303 108.800 0.192 0.000 2.406 387 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.680 387 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.680 387 G C -1.548 173.566 174.900 0.355 0.000 1.338 387 G CA -0.898 44.374 45.100 0.286 0.000 0.941 387 G HN 0.109 nan 8.290 nan 0.000 0.633 388 Q N -1.310 118.747 119.800 0.430 0.000 2.438 388 Q HA 0.570 4.910 4.340 -0.000 0.000 0.272 388 Q C -1.521 174.643 176.000 0.275 0.000 0.994 388 Q CA -0.837 55.191 55.803 0.375 0.000 0.887 388 Q CB 2.777 31.656 28.738 0.235 0.000 1.432 388 Q HN 0.955 nan 8.270 nan 0.000 0.392 389 V N 3.832 123.892 119.914 0.243 0.000 2.483 389 V HA 0.488 4.608 4.120 -0.000 0.000 0.297 389 V C -1.032 175.084 176.094 0.037 0.000 1.027 389 V CA -0.656 61.672 62.300 0.047 0.000 0.855 389 V CB 1.487 33.247 31.823 -0.105 0.000 0.995 389 V HN 0.602 nan 8.190 nan 0.000 0.424 390 L N 5.507 126.762 121.223 0.053 0.000 2.295 390 L HA 0.591 4.931 4.340 -0.000 0.000 0.285 390 L C 0.003 176.809 176.870 -0.106 0.000 1.035 390 L CA -0.189 54.633 54.840 -0.030 0.000 0.806 390 L CB 1.757 43.863 42.059 0.078 0.000 1.214 390 L HN 0.363 nan 8.230 nan 0.000 0.426 391 V N 3.313 123.079 119.914 -0.246 0.000 2.567 391 V HA 0.416 4.536 4.120 -0.000 0.000 0.289 391 V C -0.583 175.266 176.094 -0.409 0.000 1.049 391 V CA -0.284 61.915 62.300 -0.167 0.000 0.969 391 V CB 1.225 32.988 31.823 -0.100 0.000 0.995 391 V HN 0.416 nan 8.190 nan 0.000 0.471 392 F N 4.147 124.116 119.950 0.030 0.000 2.553 392 F HA 0.522 5.048 4.527 -0.000 0.000 0.335 392 F C -0.023 175.794 175.800 0.029 0.000 1.148 392 F CA -0.507 57.513 58.000 0.033 0.000 0.963 392 F CB 1.324 40.347 39.000 0.039 0.000 1.217 392 F HN 0.185 nan 8.300 nan 0.000 0.441 393 L N 3.029 124.341 121.223 0.149 0.000 2.397 393 L HA 0.519 4.859 4.340 -0.000 0.000 0.271 393 L C 0.970 177.900 176.870 0.100 0.000 1.148 393 L CA -0.447 54.461 54.840 0.113 0.000 0.825 393 L CB 0.695 42.800 42.059 0.078 0.000 1.117 393 L HN 0.754 nan 8.230 nan 0.000 0.456 394 G N 1.858 110.713 108.800 0.093 0.000 2.562 394 G HA2 0.553 4.513 3.960 -0.000 0.000 0.275 394 G HA3 0.553 4.513 3.960 -0.000 0.000 0.275 394 G C -0.863 173.939 174.900 -0.163 0.000 1.196 394 G CA -0.221 44.896 45.100 0.028 0.000 0.908 394 G HN 0.731 nan 8.290 nan 0.000 0.524 395 Q N -2.158 117.369 119.800 -0.456 0.000 2.702 395 Q HA 0.401 4.741 4.340 -0.000 0.000 0.289 395 Q C 0.717 176.197 176.000 -0.867 0.000 0.923 395 Q CA -0.206 55.006 55.803 -0.984 0.000 0.787 395 Q CB 0.763 29.239 28.738 -0.436 0.000 1.476 395 Q HN 0.637 nan 8.270 nan 0.000 0.402 396 S N 0.140 115.331 115.700 -0.847 0.000 2.392 396 S HA -0.272 4.198 4.470 -0.000 0.000 0.232 396 S C 0.892 175.413 174.600 -0.132 0.000 1.041 396 S CA 1.888 59.935 58.200 -0.255 0.000 1.026 396 S CB -0.534 62.635 63.200 -0.052 0.000 0.845 396 S HN 0.656 nan 8.310 nan 0.000 0.465 397 E N 1.036 121.146 120.200 -0.149 0.000 2.481 397 E HA 0.351 4.701 4.350 -0.000 0.000 0.195 397 E C 1.409 177.965 176.600 -0.074 0.000 1.047 397 E CA 0.266 56.616 56.400 -0.083 0.000 0.867 397 E CB 0.097 29.754 29.700 -0.071 0.000 0.858 397 E HN 0.717 nan 8.360 nan 0.000 0.513 398 G N 0.837 109.577 108.800 -0.099 0.000 1.674 398 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.192 398 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.192 398 G C -0.604 174.257 174.900 -0.065 0.000 1.551 398 G CA -0.616 44.447 45.100 -0.062 0.000 1.320 398 G HN 0.073 nan 8.290 nan 0.000 0.432 399 L N 0.518 121.711 121.223 -0.050 0.000 2.277 399 L HA 0.726 5.066 4.340 -0.000 0.000 0.254 399 L C -0.159 176.714 176.870 0.005 0.000 1.044 399 L CA -1.307 53.523 54.840 -0.017 0.000 0.842 399 L CB 2.089 44.133 42.059 -0.024 0.000 1.422 399 L HN 0.350 nan 8.230 nan 0.000 0.422 400 R N 0.199 120.750 120.500 0.085 0.000 2.404 400 R HA 0.210 4.550 4.340 -0.000 0.000 0.291 400 R C 0.723 177.127 176.300 0.175 0.000 1.025 400 R CA -0.150 56.016 56.100 0.110 0.000 0.991 400 R CB 1.579 31.954 30.300 0.126 0.000 1.053 400 R HN 0.729 nan 8.270 nan 0.000 0.479 401 S N 2.525 118.287 115.700 0.104 0.000 2.355 401 S HA -0.051 4.419 4.470 -0.000 0.000 0.222 401 S C 0.587 175.310 174.600 0.205 0.000 1.031 401 S CA 0.802 59.069 58.200 0.111 0.000 0.993 401 S CB 0.266 63.487 63.200 0.035 0.000 0.859 401 S HN 0.341 nan 8.310 nan 0.000 0.453 402 R N 2.829 123.407 120.500 0.130 0.000 2.298 402 R HA 0.418 4.758 4.340 -0.000 0.000 0.310 402 R C -2.564 173.753 176.300 0.027 0.000 1.068 402 R CA -2.649 53.497 56.100 0.076 0.000 0.957 402 R CB -0.337 29.978 30.300 0.025 0.000 1.003 402 R HN 0.428 nan 8.270 nan 0.000 0.454 403 P HA 0.053 nan 4.420 nan 0.000 0.275 403 P C 0.324 177.468 177.300 -0.260 0.000 1.228 403 P CA -0.194 62.595 63.100 -0.518 0.000 0.786 403 P CB 0.762 32.042 31.700 -0.700 0.000 0.927 404 S N 0.783 116.335 115.700 -0.246 0.000 2.436 404 S HA -0.041 4.429 4.470 -0.000 0.000 0.228 404 S C 0.681 175.218 174.600 -0.105 0.000 1.014 404 S CA 0.335 58.465 58.200 -0.116 0.000 0.950 404 S CB -0.191 62.969 63.200 -0.066 0.000 0.784 404 S HN 0.697 nan 8.310 nan 0.000 0.504 405 Q N -0.255 119.455 119.800 -0.151 0.000 2.438 405 Q HA 0.542 4.882 4.340 -0.000 0.000 0.272 405 Q C -2.420 173.509 176.000 -0.118 0.000 0.994 405 Q CA -0.591 55.151 55.803 -0.101 0.000 0.887 405 Q CB 2.156 30.854 28.738 -0.066 0.000 1.432 405 Q HN 0.148 nan 8.270 nan 0.000 0.392 406 V N 4.406 124.280 119.914 -0.066 0.000 2.495 406 V HA 0.528 4.648 4.120 -0.000 0.000 0.298 406 V C -0.572 175.521 176.094 -0.002 0.000 1.031 406 V CA -0.633 61.647 62.300 -0.034 0.000 0.871 406 V CB 1.694 33.513 31.823 -0.008 0.000 0.988 406 V HN 0.701 nan 8.190 nan 0.000 0.432 407 L N 4.295 125.530 121.223 0.020 0.000 2.313 407 L HA 0.581 4.921 4.340 -0.000 0.000 0.283 407 L C -0.549 176.405 176.870 0.141 0.000 1.013 407 L CA -0.537 54.334 54.840 0.051 0.000 0.816 407 L CB 1.620 43.633 42.059 -0.077 0.000 1.236 407 L HN 0.537 nan 8.230 nan 0.000 0.419 408 D N 1.510 121.939 120.400 0.049 0.000 2.175 408 D HA 0.083 4.723 4.640 -0.000 0.000 0.248 408 D C 0.009 176.080 176.300 -0.382 0.000 1.047 408 D CA -0.164 53.805 54.000 -0.052 0.000 0.883 408 D CB 2.141 42.917 40.800 -0.039 0.000 1.180 408 D HN 0.344 nan 8.370 nan 0.000 0.438 409 S N 2.183 117.494 115.700 -0.649 0.000 2.596 409 S HA 0.029 4.499 4.470 -0.000 0.000 0.298 409 S C -1.382 172.852 174.600 -0.611 0.000 1.255 409 S CA -0.899 56.621 58.200 -1.133 0.000 1.083 409 S CB 0.473 63.387 63.200 -0.476 0.000 0.837 409 S HN 0.276 nan 8.310 nan 0.000 0.499 410 P HA 0.158 nan 4.420 nan 0.000 0.245 410 P C -0.299 176.604 177.300 -0.662 0.000 1.206 410 P CA 0.172 62.903 63.100 -0.614 0.000 0.781 410 P CB 0.004 31.331 31.700 -0.621 0.000 0.994 411 F N 1.325 121.145 119.950 -0.217 0.000 2.380 411 F HA 0.475 5.002 4.527 -0.000 0.000 0.321 411 F C -1.711 174.029 175.800 -0.100 0.000 1.103 411 F CA -2.933 54.975 58.000 -0.153 0.000 1.067 411 F CB -0.933 38.010 39.000 -0.095 0.000 1.265 411 F HN -0.276 nan 8.300 nan 0.000 0.517 412 P HA 0.089 nan 4.420 nan 0.000 0.273 412 P C -0.420 176.929 177.300 0.081 0.000 1.250 412 P CA -0.408 62.730 63.100 0.063 0.000 0.793 412 P CB 0.242 31.968 31.700 0.043 0.000 1.011 413 T N 0.823 115.417 114.554 0.067 0.000 2.923 413 T HA 0.265 4.615 4.350 -0.000 0.000 0.304 413 T C 1.367 176.121 174.700 0.089 0.000 1.044 413 T CA 2.005 64.159 62.100 0.090 0.000 1.141 413 T CB -0.721 68.189 68.868 0.069 0.000 1.023 413 T HN 0.823 nan 8.240 nan 0.000 0.533 414 G N 2.158 111.043 108.800 0.143 0.000 2.213 414 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.236 414 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.236 414 G C 1.339 176.253 174.900 0.024 0.000 0.991 414 G CA 0.871 46.044 45.100 0.122 0.000 0.629 414 G HN 1.066 nan 8.290 nan 0.000 0.517 415 S N 0.426 116.128 115.700 0.004 0.000 2.440 415 S HA 0.266 4.736 4.470 -0.000 0.000 0.238 415 S C 2.118 176.555 174.600 -0.271 0.000 1.010 415 S CA 1.896 60.028 58.200 -0.113 0.000 0.972 415 S CB -0.390 62.822 63.200 0.020 0.000 0.774 415 S HN 2.480 nan 8.310 nan 0.000 0.501 416 A N -0.210 122.475 122.820 -0.225 0.000 2.905 416 A HA -0.209 4.111 4.320 -0.000 0.000 0.260 416 A C 0.203 177.715 177.584 -0.120 0.000 1.398 416 A CA 0.637 52.444 52.037 -0.384 0.000 0.840 416 A CB -2.983 15.632 19.000 -0.642 0.000 1.059 416 A HN 1.200 nan 8.150 nan 0.000 0.647 417 F N 0.451 120.340 119.950 -0.103 0.000 2.514 417 F HA 0.351 4.878 4.527 -0.000 0.000 0.399 417 F C 1.385 177.213 175.800 0.048 0.000 1.011 417 F CA 1.646 59.685 58.000 0.065 0.000 1.109 417 F CB -0.257 38.872 39.000 0.216 0.000 0.980 417 F HN 1.442 nan 8.300 nan 0.000 0.538 418 G N 5.180 113.710 108.800 -0.450 0.000 2.316 418 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.203 418 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.203 418 G C 0.827 175.642 174.900 -0.141 0.000 0.999 418 G CA 0.049 44.916 45.100 -0.390 0.000 0.649 418 G HN 0.696 nan 8.290 nan 0.000 0.489 419 F N 3.099 122.948 119.950 -0.168 0.000 2.236 419 F HA 0.121 4.648 4.527 -0.000 0.000 0.302 419 F C 1.544 177.263 175.800 -0.135 0.000 1.073 419 F CA 2.182 60.126 58.000 -0.094 0.000 1.336 419 F CB 0.171 39.184 39.000 0.022 0.000 1.040 419 F HN 0.436 nan 8.300 nan 0.000 0.507 420 S N -0.274 115.381 115.700 -0.075 0.000 2.548 420 S HA 0.759 5.229 4.470 -0.000 0.000 0.286 420 S C -1.066 173.461 174.600 -0.122 0.000 1.098 420 S CA -0.867 57.244 58.200 -0.149 0.000 0.930 420 S CB 2.572 65.719 63.200 -0.088 0.000 1.070 420 S HN 0.096 nan 8.310 nan 0.000 0.480 421 L N 0.952 122.108 121.223 -0.113 0.000 2.506 421 L HA 0.772 5.112 4.340 -0.000 0.000 0.257 421 L C -0.814 176.037 176.870 -0.030 0.000 0.964 421 L CA -0.755 54.044 54.840 -0.070 0.000 0.836 421 L CB 2.575 44.588 42.059 -0.076 0.000 1.384 421 L HN 0.766 nan 8.230 nan 0.000 0.410 422 R N 0.388 120.903 120.500 0.025 0.000 2.604 422 R HA 0.841 5.181 4.340 -0.000 0.000 0.270 422 R C -0.948 175.546 176.300 0.323 0.000 1.052 422 R CA -0.096 56.076 56.100 0.120 0.000 0.902 422 R CB 2.289 32.615 30.300 0.044 0.000 1.233 422 R HN 0.788 nan 8.270 nan 0.000 0.455 423 G N 0.312 109.305 108.800 0.321 0.000 2.947 423 G HA2 0.547 4.507 3.960 -0.000 0.000 0.293 423 G HA3 0.547 4.507 3.960 -0.000 0.000 0.293 423 G C -0.691 174.252 174.900 0.072 0.000 1.243 423 G CA -0.067 45.183 45.100 0.250 0.000 0.802 423 G HN 1.327 nan 8.290 nan 0.000 0.560 424 A N -2.235 120.569 122.820 -0.026 0.000 2.860 424 A HA 0.059 4.379 4.320 -0.000 0.000 0.267 424 A C 0.058 177.521 177.584 -0.202 0.000 1.421 424 A CA 1.088 53.079 52.037 -0.076 0.000 0.831 424 A CB -2.059 16.932 19.000 -0.014 0.000 1.041 424 A HN 1.784 nan 8.150 nan 0.000 0.623 425 V N 0.170 119.831 119.914 -0.421 0.000 2.686 425 V HA 0.509 4.629 4.120 -0.000 0.000 0.306 425 V C -0.445 175.307 176.094 -0.570 0.000 1.065 425 V CA -0.346 61.582 62.300 -0.621 0.000 0.894 425 V CB 2.024 33.122 31.823 -1.208 0.000 1.004 425 V HN 0.488 nan 8.190 nan 0.000 0.424 426 D N 3.458 123.645 120.400 -0.356 0.000 2.441 426 D HA 0.266 4.906 4.640 -0.000 0.000 0.221 426 D C 0.708 176.835 176.300 -0.288 0.000 1.156 426 D CA 0.026 53.872 54.000 -0.257 0.000 0.896 426 D CB 1.143 41.855 40.800 -0.147 0.000 1.028 426 D HN 0.549 nan 8.370 nan 0.000 0.509 427 I N 2.491 122.837 120.570 -0.373 0.000 2.406 427 I HA -0.144 4.026 4.170 -0.000 0.000 0.249 427 I C 1.149 176.939 176.117 -0.545 0.000 1.122 427 I CA 0.866 61.905 61.300 -0.434 0.000 1.431 427 I CB 0.399 38.094 38.000 -0.508 0.000 1.087 427 I HN 0.326 nan 8.210 nan 0.000 0.424 428 D N -1.430 118.683 120.400 -0.479 0.000 2.369 428 D HA -0.072 4.568 4.640 -0.000 0.000 0.211 428 D C 0.583 176.874 176.300 -0.016 0.000 1.077 428 D CA 0.212 54.084 54.000 -0.213 0.000 0.842 428 D CB -0.173 40.591 40.800 -0.061 0.000 0.947 428 D HN 0.211 nan 8.370 nan 0.000 0.509 429 D N 0.816 121.183 120.400 -0.055 0.000 2.835 429 D HA -0.185 4.455 4.640 -0.000 0.000 0.230 429 D C 0.091 176.408 176.300 0.027 0.000 1.130 429 D CA 0.922 54.917 54.000 -0.009 0.000 0.738 429 D CB -1.776 39.035 40.800 0.018 0.000 1.090 429 D HN 0.473 nan 8.370 nan 0.000 0.433 430 N N 0.002 118.729 118.700 0.044 0.000 2.270 430 N HA 0.236 4.976 4.740 -0.000 0.000 0.198 430 N C 1.626 177.245 175.510 0.182 0.000 1.117 430 N CA 1.161 54.270 53.050 0.098 0.000 0.845 430 N CB 0.261 38.799 38.487 0.086 0.000 0.980 430 N HN 0.524 nan 8.380 nan 0.000 0.486 431 G N -0.811 108.049 108.800 0.099 0.000 2.217 431 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.246 431 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.246 431 G C -0.603 174.248 174.900 -0.082 0.000 0.990 431 G CA 0.263 45.371 45.100 0.013 0.000 0.627 431 G HN 0.381 nan 8.290 nan 0.000 0.522 432 Y N 1.965 122.235 120.300 -0.049 0.000 2.409 432 Y HA 0.600 5.150 4.550 -0.000 0.000 0.339 432 Y C -1.869 173.985 175.900 -0.076 0.000 1.033 432 Y CA -2.500 55.572 58.100 -0.048 0.000 1.094 432 Y CB 1.938 40.382 38.460 -0.027 0.000 1.210 432 Y HN -0.024 nan 8.280 nan 0.000 0.456 433 P HA 0.152 nan 4.420 nan 0.000 0.276 433 P C -0.902 176.392 177.300 -0.011 0.000 1.244 433 P CA -0.117 62.956 63.100 -0.045 0.000 0.801 433 P CB 1.639 33.306 31.700 -0.056 0.000 1.006 434 D N 0.356 120.711 120.400 -0.074 0.000 2.650 434 D HA 0.580 5.220 4.640 -0.000 0.000 0.255 434 D C -0.765 175.614 176.300 0.131 0.000 1.135 434 D CA -0.139 53.875 54.000 0.022 0.000 1.099 434 D CB 0.895 41.682 40.800 -0.022 0.000 1.273 434 D HN 0.176 nan 8.370 nan 0.000 0.628 435 L N 0.899 122.272 121.223 0.251 0.000 2.528 435 L HA 0.427 4.767 4.340 -0.000 0.000 0.267 435 L C -1.302 175.782 176.870 0.356 0.000 0.961 435 L CA -0.631 54.387 54.840 0.297 0.000 0.866 435 L CB 1.182 43.345 42.059 0.173 0.000 1.248 435 L HN 0.400 nan 8.230 nan 0.000 0.404 436 I N 3.436 124.181 120.570 0.292 0.000 2.331 436 I HA 0.761 4.931 4.170 -0.000 0.000 0.292 436 I C -0.935 175.260 176.117 0.129 0.000 0.998 436 I CA -0.795 60.607 61.300 0.170 0.000 1.267 436 I CB 1.618 39.546 38.000 -0.120 0.000 1.386 436 I HN 0.318 nan 8.210 nan 0.000 0.476 437 V N 5.212 125.258 119.914 0.220 0.000 2.555 437 V HA 0.713 4.833 4.120 -0.000 0.000 0.302 437 V C 0.756 176.931 176.094 0.135 0.000 1.038 437 V CA -0.415 61.945 62.300 0.100 0.000 0.887 437 V CB 1.538 33.386 31.823 0.041 0.000 0.991 437 V HN 0.976 nan 8.190 nan 0.000 0.434 438 G N 2.215 111.031 108.800 0.027 0.000 2.412 438 G HA2 0.655 4.615 3.960 -0.000 0.000 0.318 438 G HA3 0.655 4.615 3.960 -0.000 0.000 0.318 438 G C -0.430 174.504 174.900 0.058 0.000 1.146 438 G CA -0.254 44.881 45.100 0.058 0.000 0.882 438 G HN 1.200 nan 8.290 nan 0.000 0.501 439 A N 1.518 124.347 122.820 0.014 0.000 3.082 439 A HA 0.465 4.785 4.320 -0.000 0.000 0.328 439 A C 0.343 177.850 177.584 -0.128 0.000 1.089 439 A CA -0.593 51.386 52.037 -0.097 0.000 0.802 439 A CB -0.076 18.737 19.000 -0.312 0.000 1.138 439 A HN 1.086 nan 8.150 nan 0.000 0.474 440 Y N 0.073 120.365 120.300 -0.013 0.000 2.274 440 Y HA 0.022 4.572 4.550 -0.000 0.000 0.290 440 Y C 1.706 177.623 175.900 0.029 0.000 1.145 440 Y CA 1.710 59.839 58.100 0.048 0.000 1.203 440 Y CB -0.702 37.837 38.460 0.132 0.000 0.984 440 Y HN 0.378 nan 8.280 nan 0.000 0.533 441 G N 0.526 108.945 108.800 -0.635 0.000 2.422 441 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 441 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 441 G C 1.672 176.480 174.900 -0.154 0.000 1.146 441 G CA 0.947 45.826 45.100 -0.368 0.000 0.769 441 G HN 0.683 nan 8.290 nan 0.000 0.547 442 A N 0.064 122.764 122.820 -0.199 0.000 2.238 442 A HA 0.230 4.550 4.320 -0.000 0.000 0.210 442 A C 1.211 178.712 177.584 -0.138 0.000 1.179 442 A CA 0.713 52.635 52.037 -0.191 0.000 0.827 442 A CB -0.116 18.655 19.000 -0.382 0.000 0.856 442 A HN 0.333 nan 8.150 nan 0.000 0.488 443 N N -0.358 118.318 118.700 -0.040 0.000 2.754 443 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 443 N C -0.424 175.172 175.510 0.142 0.000 1.093 443 N CA 1.371 54.478 53.050 0.096 0.000 0.699 443 N CB -1.521 36.984 38.487 0.030 0.000 1.016 443 N HN 0.804 nan 8.380 nan 0.000 0.552 444 Q N -0.827 119.015 119.800 0.070 0.000 2.501 444 Q HA 0.739 5.079 4.340 -0.000 0.000 0.288 444 Q C -0.895 175.213 176.000 0.181 0.000 1.051 444 Q CA -0.889 54.992 55.803 0.129 0.000 0.788 444 Q CB 2.771 31.395 28.738 -0.190 0.000 1.469 444 Q HN 0.021 nan 8.270 nan 0.000 0.416 445 V N 0.784 120.945 119.914 0.412 0.000 2.525 445 V HA 0.648 4.768 4.120 -0.000 0.000 0.299 445 V C -0.826 175.628 176.094 0.600 0.000 1.034 445 V CA -0.777 61.766 62.300 0.404 0.000 0.863 445 V CB 1.462 33.465 31.823 0.300 0.000 0.999 445 V HN 0.841 nan 8.190 nan 0.000 0.423 446 A N 4.593 127.818 122.820 0.676 0.000 2.309 446 A HA 0.816 5.136 4.320 -0.000 0.000 0.298 446 A C -0.457 177.368 177.584 0.402 0.000 1.165 446 A CA -0.423 51.992 52.037 0.630 0.000 0.821 446 A CB 1.045 20.505 19.000 0.767 0.000 1.102 446 A HN 0.766 nan 8.150 nan 0.000 0.500 447 V N 3.092 123.132 119.914 0.211 0.000 2.409 447 V HA 0.347 4.467 4.120 -0.000 0.000 0.291 447 V C -1.164 174.957 176.094 0.045 0.000 1.020 447 V CA -0.358 62.089 62.300 0.244 0.000 0.848 447 V CB 0.573 32.627 31.823 0.384 0.000 0.990 447 V HN 0.751 nan 8.190 nan 0.000 0.430 448 Y N 3.493 123.896 120.300 0.171 0.000 2.360 448 Y HA 0.662 5.212 4.550 -0.000 0.000 0.337 448 Y C 0.569 176.517 175.900 0.080 0.000 1.039 448 Y CA -0.691 57.481 58.100 0.120 0.000 1.109 448 Y CB 1.556 40.091 38.460 0.126 0.000 1.201 448 Y HN 0.461 nan 8.280 nan 0.000 0.458 449 R N 1.452 122.059 120.500 0.177 0.000 2.514 449 R HA 0.772 5.112 4.340 -0.000 0.000 0.301 449 R C -0.744 175.595 176.300 0.064 0.000 0.962 449 R CA -0.973 55.177 56.100 0.084 0.000 0.882 449 R CB 1.537 31.869 30.300 0.054 0.000 1.143 449 R HN 0.804 nan 8.270 nan 0.000 0.452 450 A N 2.878 125.718 122.820 0.034 0.000 2.363 450 A HA 0.303 4.623 4.320 -0.000 0.000 0.270 450 A C -0.602 176.882 177.584 -0.166 0.000 1.121 450 A CA -0.383 51.649 52.037 -0.007 0.000 0.800 450 A CB 0.708 19.762 19.000 0.091 0.000 1.052 450 A HN 0.497 nan 8.150 nan 0.000 0.493 451 Q N 1.350 120.982 119.800 -0.281 0.000 2.397 451 Q HA 0.462 4.802 4.340 -0.000 0.000 0.275 451 Q C -2.643 173.005 176.000 -0.586 0.000 1.090 451 Q CA -1.896 53.674 55.803 -0.388 0.000 0.809 451 Q CB 1.259 29.892 28.738 -0.174 0.000 1.362 451 Q HN 0.471 nan 8.270 nan 0.000 0.431 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 62.860 63.100 -0.400 0.000 0.800 452 P CB 0.000 31.599 31.700 -0.168 0.000 0.726