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 1iz8_1_A DATA FIRST_RESID 3 DATA SEQUENCE LGAKPFGEKK FIEIKGRRMA YIDEGTGDPI LFQHGNPTSS YLWRNIMPHC DATA SEQUENCE AGLGRLIACD LIGMGDSDKL DPSGPERYAY AEHRDYLDAL WEALDLGDRV DATA SEQUENCE VLVVHDWGSA LGFDWARRHR ERVQGIAYME AIAMPIEWAD FPEQDRDLFQ DATA SEQUENCE AFRSQAGEEL VLQDNVFVEQ VLPGLILRPL SEAEMAAYRE PFLAAGEARR DATA SEQUENCE PTLSWPRQIP IAGTPADVVA IARDYAGWLS ESPIPKLFIN AEPGALTTGR DATA SEQUENCE MRDFCRTWPN QTEITVAGAH FIQEDSPDEI GAAIAAFVRR LRPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.872 176.870 0.003 0.000 1.165 3 L CA 0.000 54.845 54.840 0.009 0.000 0.813 3 L CB 0.000 42.067 42.059 0.013 0.000 0.961 4 G N -0.117 108.682 108.800 -0.002 0.000 2.542 4 G HA2 0.537 4.498 3.960 0.002 0.000 0.391 4 G HA3 0.537 4.498 3.960 0.002 0.000 0.391 4 G C -0.156 174.733 174.900 -0.017 0.000 1.551 4 G CA -0.060 45.038 45.100 -0.005 0.000 0.946 4 G HN 1.382 nan 8.290 nan 0.000 0.662 5 A N 1.470 124.306 122.820 0.026 0.000 2.178 5 A HA 0.454 4.776 4.320 0.002 0.000 0.211 5 A C 1.271 178.931 177.584 0.126 0.000 1.157 5 A CA 0.984 53.075 52.037 0.090 0.000 0.780 5 A CB 0.006 19.068 19.000 0.102 0.000 0.828 5 A HN 0.563 nan 8.150 nan 0.000 0.476 6 K N 1.683 122.119 120.400 0.060 0.000 2.350 6 K HA 0.291 4.613 4.320 0.002 0.000 0.279 6 K C -2.469 174.167 176.600 0.060 0.000 1.027 6 K CA -1.698 54.633 56.287 0.073 0.000 0.969 6 K CB 0.537 33.059 32.500 0.037 0.000 0.954 6 K HN 0.228 nan 8.250 nan 0.000 0.474 7 P HA -0.026 nan 4.420 nan 0.000 0.272 7 P C -0.925 176.424 177.300 0.082 0.000 1.230 7 P CA -0.257 62.916 63.100 0.122 0.000 0.788 7 P CB 0.469 32.271 31.700 0.170 0.000 0.949 8 F N 1.566 121.493 119.950 -0.038 0.000 2.404 8 F HA 0.492 5.015 4.527 -0.006 0.000 0.358 8 F C 0.834 176.615 175.800 -0.031 0.000 1.120 8 F CA 1.097 59.069 58.000 -0.046 0.000 1.144 8 F CB 0.142 39.098 39.000 -0.073 0.000 1.133 8 F HN 0.802 nan 8.300 nan 0.000 0.495 9 G N 5.261 113.614 108.800 -0.745 0.000 2.598 9 G HA2 -0.091 3.870 3.960 0.002 0.000 0.244 9 G HA3 -0.091 3.870 3.960 0.002 0.000 0.244 9 G C -1.100 173.656 174.900 -0.240 0.000 1.302 9 G CA -0.009 44.756 45.100 -0.558 0.000 0.903 9 G HN 0.996 nan 8.290 nan 0.000 0.575 10 E N 0.263 120.354 120.200 -0.181 0.000 2.293 10 E HA 0.584 4.935 4.350 0.002 0.000 0.270 10 E C -0.845 175.671 176.600 -0.140 0.000 0.879 10 E CA -1.251 55.079 56.400 -0.117 0.000 0.756 10 E CB 1.754 31.397 29.700 -0.094 0.000 1.208 10 E HN 0.432 nan 8.360 nan 0.000 0.428 11 K N 2.056 122.377 120.400 -0.132 0.000 2.368 11 K HA 0.270 4.592 4.320 0.002 0.000 0.282 11 K C -0.040 176.336 176.600 -0.373 0.000 1.035 11 K CA -0.090 56.022 56.287 -0.292 0.000 0.973 11 K CB 0.883 33.205 32.500 -0.297 0.000 0.957 11 K HN 0.445 nan 8.250 nan 0.000 0.474 12 K N 1.864 121.849 120.400 -0.692 0.000 2.221 12 K HA 0.539 4.860 4.320 0.002 0.000 0.243 12 K C -0.638 175.450 176.600 -0.854 0.000 0.968 12 K CA -0.712 55.213 56.287 -0.603 0.000 0.846 12 K CB 1.050 33.126 32.500 -0.708 0.000 1.141 12 K HN 0.217 nan 8.250 nan 0.000 0.434 13 F N 1.095 120.951 119.950 -0.157 0.000 2.563 13 F HA 0.599 5.127 4.527 0.002 0.000 0.316 13 F C -0.313 175.605 175.800 0.198 0.000 1.076 13 F CA -0.903 57.127 58.000 0.049 0.000 0.921 13 F CB 1.537 40.557 39.000 0.034 0.000 1.209 13 F HN 0.270 nan 8.300 nan 0.000 0.462 14 I N 1.455 122.286 120.570 0.435 0.000 2.692 14 I HA 0.259 4.430 4.170 0.002 0.000 0.293 14 I C -1.126 175.139 176.117 0.247 0.000 1.200 14 I CA -0.578 60.914 61.300 0.321 0.000 1.036 14 I CB 1.816 40.008 38.000 0.319 0.000 1.258 14 I HN 0.568 nan 8.210 nan 0.000 0.421 15 E N 7.821 128.129 120.200 0.181 0.000 2.259 15 E HA 0.252 4.604 4.350 0.002 0.000 0.281 15 E C -1.509 175.170 176.600 0.132 0.000 1.037 15 E CA -0.204 56.285 56.400 0.149 0.000 0.854 15 E CB 0.973 30.738 29.700 0.109 0.000 1.051 15 E HN 0.377 nan 8.360 nan 0.000 0.409 16 I N 4.823 125.485 120.570 0.154 0.000 2.468 16 I HA 0.134 4.305 4.170 0.002 0.000 0.285 16 I C 0.234 176.426 176.117 0.126 0.000 1.039 16 I CA -0.587 60.793 61.300 0.133 0.000 1.074 16 I CB 1.274 39.383 38.000 0.181 0.000 1.228 16 I HN 0.717 nan 8.210 nan 0.000 0.436 17 K N 4.129 124.540 120.400 0.019 0.000 3.148 17 K HA -0.219 4.102 4.320 0.002 0.000 0.267 17 K C 0.941 177.579 176.600 0.063 0.000 0.996 17 K CA 0.658 56.922 56.287 -0.037 0.000 0.737 17 K CB -1.471 30.864 32.500 -0.275 0.000 1.308 17 K HN 1.197 nan 8.250 nan 0.000 0.470 18 G N -0.284 108.558 108.800 0.071 0.000 2.179 18 G HA2 -0.358 3.604 3.960 0.002 0.000 0.257 18 G HA3 -0.358 3.604 3.960 0.002 0.000 0.257 18 G C 0.768 175.733 174.900 0.108 0.000 1.010 18 G CA 0.671 45.816 45.100 0.075 0.000 0.736 18 G HN 0.348 nan 8.290 nan 0.000 0.513 19 R N -0.620 119.977 120.500 0.161 0.000 2.276 19 R HA 0.270 4.611 4.340 0.002 0.000 0.195 19 R C 1.207 177.589 176.300 0.136 0.000 0.908 19 R CA 0.596 56.791 56.100 0.158 0.000 1.083 19 R CB 0.007 30.451 30.300 0.240 0.000 1.182 19 R HN 0.845 nan 8.270 nan 0.000 0.608 20 R N 0.991 121.593 120.500 0.170 0.000 1.761 20 R HA -0.120 4.221 4.340 0.002 0.000 0.392 20 R C -1.349 175.096 176.300 0.242 0.000 1.218 20 R CA 0.359 56.581 56.100 0.202 0.000 0.940 20 R CB -1.125 29.270 30.300 0.158 0.000 2.917 20 R HN 0.088 nan 8.270 nan 0.000 0.491 21 M N 3.525 123.290 119.600 0.275 0.000 2.598 21 M HA 0.662 5.143 4.480 0.002 0.000 0.317 21 M C 0.263 176.717 176.300 0.256 0.000 1.179 21 M CA -0.649 54.805 55.300 0.257 0.000 0.936 21 M CB 2.318 35.057 32.600 0.232 0.000 1.713 21 M HN 0.630 nan 8.290 nan 0.000 0.460 22 A N 2.031 124.920 122.820 0.115 0.000 2.312 22 A HA 0.895 5.216 4.320 0.002 0.000 0.328 22 A C -1.398 176.198 177.584 0.021 0.000 1.158 22 A CA -0.381 51.490 52.037 -0.277 0.000 0.821 22 A CB 0.656 19.378 19.000 -0.463 0.000 1.170 22 A HN 0.848 nan 8.150 nan 0.000 0.490 23 Y N -1.292 118.865 120.300 -0.240 0.000 2.713 23 Y HA 0.721 5.273 4.550 0.003 0.000 0.335 23 Y C -1.412 174.453 175.900 -0.059 0.000 1.222 23 Y CA -1.581 56.488 58.100 -0.051 0.000 1.061 23 Y CB 0.652 39.135 38.460 0.039 0.000 1.314 23 Y HN 0.506 nan 8.280 nan 0.000 0.453 24 I N 2.016 122.664 120.570 0.129 0.000 2.377 24 I HA 0.407 4.579 4.170 0.002 0.000 0.293 24 I C -1.212 175.046 176.117 0.236 0.000 0.987 24 I CA -0.373 60.970 61.300 0.073 0.000 1.185 24 I CB 1.705 39.800 38.000 0.157 0.000 1.341 24 I HN 0.623 nan 8.210 nan 0.000 0.455 25 D N 5.741 126.232 120.400 0.151 0.000 2.323 25 D HA 0.264 4.906 4.640 0.002 0.000 0.242 25 D C -1.096 175.272 176.300 0.113 0.000 1.347 25 D CA -0.282 53.847 54.000 0.215 0.000 0.988 25 D CB 1.013 42.036 40.800 0.373 0.000 1.314 25 D HN 0.288 nan 8.370 nan 0.000 0.564 26 E N 1.451 121.729 120.200 0.129 0.000 2.210 26 E HA 0.655 5.006 4.350 0.002 0.000 0.266 26 E C 0.677 177.340 176.600 0.104 0.000 0.883 26 E CA -0.655 55.802 56.400 0.094 0.000 0.761 26 E CB 1.746 31.513 29.700 0.112 0.000 1.156 26 E HN 0.691 nan 8.360 nan 0.000 0.412 27 G N 2.039 110.878 108.800 0.066 0.000 2.660 27 G HA2 -0.125 3.836 3.960 0.002 0.000 0.247 27 G HA3 -0.125 3.836 3.960 0.002 0.000 0.247 27 G C -0.316 174.612 174.900 0.046 0.000 1.328 27 G CA -0.315 44.821 45.100 0.060 0.000 0.884 27 G HN 0.814 nan 8.290 nan 0.000 0.531 28 T N -2.643 111.934 114.554 0.037 0.000 2.901 28 T HA 1.042 5.393 4.350 0.002 0.000 0.293 28 T C 0.856 175.567 174.700 0.019 0.000 1.084 28 T CA 0.749 62.865 62.100 0.026 0.000 1.008 28 T CB 1.689 70.569 68.868 0.020 0.000 1.170 28 T HN 3.065 nan 8.240 nan 0.000 0.509 29 G N 0.859 109.664 108.800 0.010 0.000 2.466 29 G HA2 0.051 4.013 3.960 0.002 0.000 0.316 29 G HA3 0.051 4.013 3.960 0.002 0.000 0.316 29 G C -1.419 173.475 174.900 -0.010 0.000 1.270 29 G CA -0.555 44.545 45.100 0.001 0.000 0.982 29 G HN 0.949 nan 8.290 nan 0.000 0.506 30 D N 2.611 122.999 120.400 -0.019 0.000 2.424 30 D HA 0.413 5.055 4.640 0.002 0.000 0.244 30 D C -1.652 174.619 176.300 -0.049 0.000 1.134 30 D CA -0.048 53.931 54.000 -0.035 0.000 0.881 30 D CB 1.218 41.995 40.800 -0.039 0.000 1.191 30 D HN 0.302 nan 8.370 nan 0.000 0.445 31 P HA 0.254 nan 4.420 nan 0.000 0.278 31 P C -0.358 176.859 177.300 -0.138 0.000 1.238 31 P CA -0.294 62.746 63.100 -0.101 0.000 0.794 31 P CB 0.990 32.597 31.700 -0.154 0.000 0.955 32 I N 2.817 123.318 120.570 -0.115 0.000 2.390 32 I HA 0.196 4.368 4.170 0.002 0.000 0.283 32 I C -0.093 175.869 176.117 -0.258 0.000 1.016 32 I CA -0.941 60.233 61.300 -0.210 0.000 1.151 32 I CB 1.307 39.248 38.000 -0.098 0.000 1.293 32 I HN 0.112 nan 8.210 nan 0.000 0.458 33 L N 7.729 128.694 121.223 -0.430 0.000 2.260 33 L HA 0.474 4.816 4.340 0.002 0.000 0.289 33 L C -0.959 175.603 176.870 -0.513 0.000 1.057 33 L CA 0.048 54.636 54.840 -0.421 0.000 0.811 33 L CB 0.203 41.863 42.059 -0.664 0.000 1.184 33 L HN 0.200 nan 8.230 nan 0.000 0.429 34 F N 3.607 123.314 119.950 -0.405 0.000 2.411 34 F HA 0.557 5.087 4.527 0.006 0.000 0.352 34 F C 0.235 175.839 175.800 -0.327 0.000 1.123 34 F CA -0.606 56.949 58.000 -0.742 0.000 1.044 34 F CB 1.438 39.672 39.000 -1.278 0.000 1.135 34 F HN 0.377 nan 8.300 nan 0.000 0.461 35 Q N 3.990 123.838 119.800 0.080 0.000 2.327 35 Q HA 0.203 4.545 4.340 0.002 0.000 0.270 35 Q C -0.344 176.093 176.000 0.729 0.000 1.022 35 Q CA -0.669 55.391 55.803 0.429 0.000 0.773 35 Q CB 0.706 29.640 28.738 0.326 0.000 1.251 35 Q HN 0.690 nan 8.270 nan 0.000 0.457 36 H N 1.293 120.848 119.070 0.808 0.000 2.581 36 H HA 0.719 5.277 4.556 0.003 0.000 0.369 36 H C -0.331 175.204 175.328 0.345 0.000 1.351 36 H CA -0.009 56.398 56.048 0.598 0.000 1.434 36 H CB 0.796 30.836 29.762 0.463 0.000 1.558 36 H HN 0.638 nan 8.280 nan 0.000 0.608 37 G N 0.029 109.025 108.800 0.328 0.000 3.252 37 G HA2 0.120 4.082 3.960 0.002 0.000 0.181 37 G HA3 0.120 4.082 3.960 0.002 0.000 0.181 37 G C -0.725 174.320 174.900 0.240 0.000 1.187 37 G CA -0.876 44.267 45.100 0.072 0.000 0.886 37 G HN 0.699 nan 8.290 nan 0.000 0.615 38 N N 1.313 120.059 118.700 0.078 0.000 2.472 38 N HA 0.472 5.213 4.740 0.002 0.000 0.277 38 N C -2.268 173.433 175.510 0.319 0.000 1.081 38 N CA -1.840 51.261 53.050 0.085 0.000 0.973 38 N CB 1.913 40.304 38.487 -0.160 0.000 1.105 38 N HN 0.097 nan 8.380 nan 0.000 0.470 39 P HA 0.181 nan 4.420 nan 0.000 0.253 39 P C -0.639 176.820 177.300 0.265 0.000 1.872 39 P CA -0.262 62.895 63.100 0.095 0.000 1.148 39 P CB 0.082 31.730 31.700 -0.087 0.000 1.753 40 T N -2.223 112.541 114.554 0.349 0.000 2.920 40 T HA 0.721 5.072 4.350 0.002 0.000 0.292 40 T C 0.486 175.220 174.700 0.056 0.000 1.093 40 T CA -0.372 61.925 62.100 0.328 0.000 0.944 40 T CB 0.836 69.906 68.868 0.337 0.000 1.605 40 T HN 0.239 nan 8.240 nan 0.000 0.590 41 S N -1.158 114.438 115.700 -0.173 0.000 2.843 41 S HA 0.406 4.877 4.470 0.002 0.000 0.301 41 S C 1.411 175.884 174.600 -0.211 0.000 1.206 41 S CA 0.019 57.796 58.200 -0.706 0.000 0.875 41 S CB 0.655 63.754 63.200 -0.168 0.000 1.248 41 S HN 1.175 nan 8.310 nan 0.000 0.555 42 S N 0.100 115.844 115.700 0.074 0.000 2.400 42 S HA -0.207 4.264 4.470 0.002 0.000 0.232 42 S C 1.587 176.367 174.600 0.300 0.000 1.025 42 S CA 1.489 59.908 58.200 0.366 0.000 0.993 42 S CB -1.318 62.067 63.200 0.308 0.000 0.808 42 S HN 0.776 nan 8.310 nan 0.000 0.478 43 Y N 2.230 122.548 120.300 0.031 0.000 2.228 43 Y HA -0.165 4.387 4.550 0.003 0.000 0.285 43 Y C 2.150 178.021 175.900 -0.049 0.000 1.178 43 Y CA 1.338 59.402 58.100 -0.060 0.000 1.202 43 Y CB -0.416 37.888 38.460 -0.261 0.000 0.974 43 Y HN 0.283 nan 8.280 nan 0.000 0.527 44 L N -1.039 120.208 121.223 0.040 0.000 2.187 44 L HA -0.241 4.100 4.340 0.002 0.000 0.213 44 L C 0.921 177.563 176.870 -0.379 0.000 1.100 44 L CA 1.869 56.620 54.840 -0.147 0.000 0.765 44 L CB -0.529 41.365 42.059 -0.275 0.000 0.904 44 L HN 0.496 nan 8.230 nan 0.000 0.437 45 W N -0.131 121.159 121.300 -0.016 0.000 3.239 45 W HA 0.148 4.807 4.660 -0.001 0.000 0.348 45 W C 2.236 178.596 176.519 -0.266 0.000 1.183 45 W CA -0.456 56.804 57.345 -0.142 0.000 1.819 45 W CB -0.092 29.247 29.460 -0.202 0.000 1.091 45 W HN 0.093 nan 8.180 nan 0.000 0.629 46 R N 0.845 121.292 120.500 -0.090 0.000 2.139 46 R HA -0.152 4.189 4.340 0.002 0.000 0.243 46 R C 0.871 177.116 176.300 -0.091 0.000 1.145 46 R CA 1.703 57.741 56.100 -0.102 0.000 0.976 46 R CB -0.614 29.515 30.300 -0.286 0.000 0.866 46 R HN 0.122 nan 8.270 nan 0.000 0.449 47 N N -0.107 118.536 118.700 -0.095 0.000 2.230 47 N HA 0.168 4.910 4.740 0.002 0.000 0.202 47 N C 1.145 176.676 175.510 0.035 0.000 1.119 47 N CA 0.367 53.400 53.050 -0.028 0.000 0.851 47 N CB 0.622 39.096 38.487 -0.022 0.000 0.990 47 N HN 0.349 nan 8.380 nan 0.000 0.497 48 I N -0.074 120.486 120.570 -0.017 0.000 3.300 48 I HA 0.084 4.256 4.170 0.002 0.000 0.279 48 I C 1.970 178.031 176.117 -0.093 0.000 1.172 48 I CA 0.244 61.571 61.300 0.045 0.000 1.431 48 I CB 0.114 38.209 38.000 0.159 0.000 1.240 48 I HN -0.090 nan 8.210 nan 0.000 0.453 49 M N 0.942 120.238 119.600 -0.506 0.000 2.144 49 M HA -0.149 4.333 4.480 0.002 0.000 0.260 49 M C -0.623 175.264 176.300 -0.688 0.000 1.067 49 M CA 2.195 56.946 55.300 -0.915 0.000 1.095 49 M CB -1.494 30.185 32.600 -1.535 0.000 1.365 49 M HN 0.067 nan 8.290 nan 0.000 0.406 50 P HA -0.160 nan 4.420 nan 0.000 0.216 50 P C 0.778 177.994 177.300 -0.139 0.000 1.150 50 P CA 1.482 64.445 63.100 -0.229 0.000 0.843 50 P CB -0.213 31.427 31.700 -0.100 0.000 0.787 51 H N -2.442 116.576 119.070 -0.087 0.000 2.489 51 H HA -0.045 4.513 4.556 0.005 0.000 0.293 51 H C 1.419 176.750 175.328 0.005 0.000 1.066 51 H CA 1.024 57.061 56.048 -0.018 0.000 1.305 51 H CB -0.882 28.882 29.762 0.003 0.000 1.386 51 H HN 0.177 nan 8.280 nan 0.000 0.551 52 C N 0.732 120.090 119.300 0.096 0.000 2.697 52 C HA 0.494 4.956 4.460 0.002 0.000 0.267 52 C C 1.383 176.411 174.990 0.063 0.000 1.278 52 C CA -0.269 58.807 59.018 0.097 0.000 1.708 52 C CB -1.465 26.374 27.740 0.166 0.000 1.860 52 C HN 0.566 nan 8.230 nan 0.000 0.589 53 A N 0.525 123.372 122.820 0.044 0.000 2.587 53 A HA 0.382 4.704 4.320 0.002 0.000 0.233 53 A C 1.544 179.161 177.584 0.056 0.000 1.049 53 A CA 1.200 53.280 52.037 0.072 0.000 0.754 53 A CB -0.487 18.558 19.000 0.075 0.000 0.977 53 A HN 1.537 nan 8.150 nan 0.000 0.509 54 G N 0.804 109.639 108.800 0.058 0.000 2.189 54 G HA2 -0.272 3.689 3.960 0.002 0.000 0.267 54 G HA3 -0.272 3.689 3.960 0.002 0.000 0.267 54 G C 0.583 175.502 174.900 0.033 0.000 0.975 54 G CA 0.780 45.904 45.100 0.040 0.000 0.644 54 G HN 0.922 nan 8.290 nan 0.000 0.537 55 L N 0.047 121.293 121.223 0.039 0.000 2.607 55 L HA 0.529 4.871 4.340 0.002 0.000 0.228 55 L C 1.423 178.303 176.870 0.016 0.000 1.123 55 L CA 0.582 55.437 54.840 0.025 0.000 0.890 55 L CB 0.010 42.088 42.059 0.032 0.000 1.103 55 L HN 0.774 nan 8.230 nan 0.000 0.468 56 G N 0.012 108.829 108.800 0.029 0.000 2.356 56 G HA2 0.035 3.997 3.960 0.002 0.000 0.288 56 G HA3 0.035 3.997 3.960 0.002 0.000 0.288 56 G C -1.463 173.461 174.900 0.040 0.000 1.302 56 G CA -0.965 44.146 45.100 0.019 0.000 0.887 56 G HN -0.047 nan 8.290 nan 0.000 0.521 57 R N 0.519 121.035 120.500 0.026 0.000 2.291 57 R HA 0.421 4.762 4.340 0.002 0.000 0.333 57 R C -0.095 176.245 176.300 0.067 0.000 1.082 57 R CA -0.318 55.808 56.100 0.042 0.000 0.948 57 R CB -0.306 30.003 30.300 0.014 0.000 1.009 57 R HN 0.386 nan 8.270 nan 0.000 0.460 58 L N 7.065 128.363 121.223 0.125 0.000 2.281 58 L HA 0.404 4.745 4.340 0.002 0.000 0.285 58 L C -0.056 176.924 176.870 0.183 0.000 1.074 58 L CA -0.329 54.621 54.840 0.183 0.000 0.817 58 L CB 0.843 43.009 42.059 0.179 0.000 1.168 58 L HN 0.542 nan 8.230 nan 0.000 0.434 59 I N 2.885 123.566 120.570 0.185 0.000 2.545 59 I HA 0.673 4.844 4.170 0.002 0.000 0.292 59 I C -0.319 175.919 176.117 0.202 0.000 1.040 59 I CA -0.575 60.821 61.300 0.161 0.000 1.068 59 I CB 2.240 40.253 38.000 0.022 0.000 1.251 59 I HN 0.656 nan 8.210 nan 0.000 0.424 60 A N 5.070 128.033 122.820 0.239 0.000 2.446 60 A HA 0.635 4.956 4.320 0.002 0.000 0.282 60 A C -0.997 176.806 177.584 0.364 0.000 1.102 60 A CA -0.364 51.848 52.037 0.291 0.000 0.737 60 A CB 0.864 20.032 19.000 0.280 0.000 1.212 60 A HN 0.746 nan 8.150 nan 0.000 0.434 61 C N 1.524 121.074 119.300 0.416 0.000 2.365 61 C HA 0.593 5.054 4.460 0.002 0.000 0.351 61 C C -0.139 175.149 174.990 0.498 0.000 1.240 61 C CA -0.490 58.788 59.018 0.434 0.000 2.062 61 C CB 0.750 28.754 27.740 0.441 0.000 2.387 61 C HN 0.778 nan 8.230 nan 0.000 0.537 62 D N 2.457 123.108 120.400 0.419 0.000 2.313 62 D HA 0.373 5.014 4.640 0.002 0.000 0.239 62 D C 0.159 176.737 176.300 0.464 0.000 1.142 62 D CA 0.068 54.354 54.000 0.475 0.000 0.847 62 D CB 0.785 41.730 40.800 0.242 0.000 1.082 62 D HN 0.381 nan 8.370 nan 0.000 0.480 63 L N 2.002 123.593 121.223 0.613 0.000 2.499 63 L HA 0.049 4.390 4.340 0.002 0.000 0.281 63 L C 0.968 178.069 176.870 0.386 0.000 1.234 63 L CA -0.501 54.590 54.840 0.418 0.000 0.839 63 L CB 0.256 42.545 42.059 0.384 0.000 1.104 63 L HN 0.313 nan 8.230 nan 0.000 0.500 64 I N 1.815 122.563 120.570 0.297 0.000 2.775 64 I HA 0.121 4.293 4.170 0.002 0.000 0.290 64 I C 1.137 177.385 176.117 0.218 0.000 1.203 64 I CA 1.560 62.909 61.300 0.081 0.000 1.433 64 I CB 0.592 38.379 38.000 -0.355 0.000 1.354 64 I HN 0.770 nan 8.210 nan 0.000 0.579 65 G N 5.461 114.365 108.800 0.173 0.000 2.179 65 G HA2 -0.256 3.705 3.960 0.002 0.000 0.260 65 G HA3 -0.256 3.705 3.960 0.002 0.000 0.260 65 G C 0.232 175.196 174.900 0.106 0.000 0.977 65 G CA 0.502 45.693 45.100 0.152 0.000 0.641 65 G HN 0.563 nan 8.290 nan 0.000 0.533 66 M N -0.665 119.047 119.600 0.187 0.000 2.716 66 M HA 0.587 5.068 4.480 0.002 0.000 0.307 66 M C 1.336 177.676 176.300 0.068 0.000 1.223 66 M CA -0.083 55.334 55.300 0.194 0.000 0.871 66 M CB 1.806 34.696 32.600 0.484 0.000 1.739 66 M HN 1.208 nan 8.290 nan 0.000 0.475 67 G N 1.090 109.861 108.800 -0.048 0.000 2.634 67 G HA2 -0.255 3.706 3.960 0.002 0.000 0.309 67 G HA3 -0.255 3.706 3.960 0.002 0.000 0.309 67 G C 0.059 174.930 174.900 -0.050 0.000 1.265 67 G CA 0.586 45.651 45.100 -0.058 0.000 0.998 67 G HN 0.815 nan 8.290 nan 0.000 0.551 68 D N 1.137 121.554 120.400 0.028 0.000 2.339 68 D HA 0.270 4.911 4.640 0.002 0.000 0.217 68 D C 1.148 177.567 176.300 0.199 0.000 1.050 68 D CA 0.620 54.690 54.000 0.117 0.000 0.856 68 D CB 0.234 41.156 40.800 0.203 0.000 0.922 68 D HN 0.250 nan 8.370 nan 0.000 0.518 69 S N 1.141 116.924 115.700 0.139 0.000 2.585 69 S HA 0.041 4.512 4.470 0.002 0.000 0.273 69 S C 0.218 174.884 174.600 0.109 0.000 1.339 69 S CA -0.464 57.832 58.200 0.160 0.000 1.028 69 S CB 1.111 64.404 63.200 0.156 0.000 0.906 69 S HN 0.064 nan 8.310 nan 0.000 0.528 70 D N 2.189 122.651 120.400 0.102 0.000 2.400 70 D HA 0.117 4.759 4.640 0.002 0.000 0.238 70 D C 0.235 176.554 176.300 0.032 0.000 1.157 70 D CA 0.361 54.392 54.000 0.053 0.000 0.889 70 D CB 0.462 41.288 40.800 0.042 0.000 1.199 70 D HN 0.186 nan 8.370 nan 0.000 0.436 71 K N 1.101 121.522 120.400 0.036 0.000 2.118 71 K HA 0.380 4.702 4.320 0.002 0.000 0.264 71 K C -0.046 176.570 176.600 0.026 0.000 1.000 71 K CA -0.573 55.768 56.287 0.090 0.000 0.929 71 K CB 0.946 33.496 32.500 0.083 0.000 1.021 71 K HN 0.352 nan 8.250 nan 0.000 0.463 72 L N 2.733 123.961 121.223 0.008 0.000 2.312 72 L HA 0.244 4.585 4.340 0.002 0.000 0.281 72 L C 0.290 177.092 176.870 -0.112 0.000 1.070 72 L CA -0.288 54.435 54.840 -0.195 0.000 0.805 72 L CB 0.911 42.632 42.059 -0.563 0.000 1.174 72 L HN 0.704 nan 8.230 nan 0.000 0.434 73 D N 3.164 123.511 120.400 -0.089 0.000 2.857 73 D HA 0.432 5.074 4.640 0.002 0.000 0.227 73 D C -2.640 173.628 176.300 -0.053 0.000 1.192 73 D CA -1.356 52.612 54.000 -0.054 0.000 0.857 73 D CB 1.654 42.442 40.800 -0.021 0.000 1.645 73 D HN 0.219 nan 8.370 nan 0.000 0.482 74 P HA 0.185 nan 4.420 nan 0.000 0.272 74 P C -0.423 176.840 177.300 -0.061 0.000 1.223 74 P CA -0.298 62.779 63.100 -0.039 0.000 0.784 74 P CB 1.122 32.804 31.700 -0.030 0.000 0.923 75 S N -0.322 115.361 115.700 -0.027 0.000 2.593 75 S HA 0.788 5.260 4.470 0.002 0.000 0.297 75 S C -0.116 174.486 174.600 0.003 0.000 1.112 75 S CA 0.127 58.321 58.200 -0.010 0.000 1.043 75 S CB 0.870 64.130 63.200 0.100 0.000 1.054 75 S HN 0.921 nan 8.310 nan 0.000 0.516 76 G N 2.502 111.307 108.800 0.007 0.000 2.430 76 G HA2 0.420 4.381 3.960 0.002 0.000 0.300 76 G HA3 0.420 4.381 3.960 0.002 0.000 0.300 76 G C -2.830 172.075 174.900 0.008 0.000 1.330 76 G CA -0.744 44.360 45.100 0.006 0.000 0.813 76 G HN 0.398 nan 8.290 nan 0.000 0.487 77 P HA -0.060 nan 4.420 nan 0.000 0.218 77 P C 1.143 178.441 177.300 -0.003 0.000 1.146 77 P CA 1.203 64.306 63.100 0.006 0.000 0.820 77 P CB 0.372 32.077 31.700 0.008 0.000 0.778 78 E N -1.575 118.614 120.200 -0.019 0.000 2.472 78 E HA 0.062 4.413 4.350 0.002 0.000 0.196 78 E C 0.917 177.473 176.600 -0.073 0.000 1.033 78 E CA 0.021 56.400 56.400 -0.033 0.000 0.886 78 E CB 0.045 29.727 29.700 -0.030 0.000 0.944 78 E HN 0.145 nan 8.360 nan 0.000 0.492 79 R N -0.300 120.143 120.500 -0.094 0.000 2.560 79 R HA 0.024 4.365 4.340 0.002 0.000 0.270 79 R C -0.438 175.760 176.300 -0.169 0.000 1.074 79 R CA -0.027 55.934 56.100 -0.232 0.000 1.140 79 R CB -0.014 30.082 30.300 -0.339 0.000 1.073 79 R HN -0.037 nan 8.270 nan 0.000 0.527 80 Y N -1.160 118.964 120.300 -0.293 0.000 4.490 80 Y HA -0.269 4.282 4.550 0.003 0.000 0.233 80 Y C 0.241 175.875 175.900 -0.443 0.000 1.101 80 Y CA 0.593 58.416 58.100 -0.461 0.000 2.010 80 Y CB -2.468 35.729 38.460 -0.439 0.000 1.622 80 Y HN 0.703 nan 8.280 nan 0.000 0.675 81 A N -0.351 122.360 122.820 -0.181 0.000 2.327 81 A HA 0.315 4.636 4.320 0.002 0.000 0.255 81 A C 1.120 178.644 177.584 -0.100 0.000 1.099 81 A CA 0.279 52.241 52.037 -0.125 0.000 0.801 81 A CB 0.062 19.045 19.000 -0.029 0.000 1.062 81 A HN 0.466 nan 8.150 nan 0.000 0.496 82 Y N 0.950 121.192 120.300 -0.097 0.000 2.114 82 Y HA -0.214 4.337 4.550 0.002 0.000 0.282 82 Y C 2.419 178.404 175.900 0.142 0.000 1.165 82 Y CA 2.865 61.016 58.100 0.085 0.000 1.148 82 Y CB -0.483 38.108 38.460 0.220 0.000 0.972 82 Y HN 0.621 nan 8.280 nan 0.000 0.504 83 A N -0.151 122.804 122.820 0.226 0.000 1.978 83 A HA -0.265 4.057 4.320 0.002 0.000 0.220 83 A C 2.184 179.769 177.584 0.001 0.000 1.170 83 A CA 1.979 54.093 52.037 0.128 0.000 0.636 83 A CB -0.846 18.241 19.000 0.144 0.000 0.810 83 A HN 0.707 nan 8.150 nan 0.000 0.448 84 E N -1.462 118.719 120.200 -0.032 0.000 2.112 84 E HA -0.171 4.180 4.350 0.002 0.000 0.190 84 E C 1.703 178.301 176.600 -0.003 0.000 0.979 84 E CA 0.822 57.197 56.400 -0.043 0.000 0.814 84 E CB -0.173 29.445 29.700 -0.136 0.000 0.762 84 E HN 0.807 nan 8.360 nan 0.000 0.460 85 H N -0.338 118.668 119.070 -0.106 0.000 2.395 85 H HA 0.011 4.568 4.556 0.002 0.000 0.299 85 H C 2.136 177.414 175.328 -0.083 0.000 1.070 85 H CA 1.605 57.616 56.048 -0.062 0.000 1.356 85 H CB 0.166 29.881 29.762 -0.080 0.000 1.401 85 H HN 0.006 nan 8.280 nan 0.000 0.524 86 R N 0.615 121.053 120.500 -0.103 0.000 2.092 86 R HA -0.128 4.213 4.340 0.002 0.000 0.231 86 R C 1.240 177.513 176.300 -0.046 0.000 1.119 86 R CA 1.669 57.687 56.100 -0.136 0.000 0.970 86 R CB 0.080 30.266 30.300 -0.189 0.000 0.864 86 R HN 0.295 nan 8.270 nan 0.000 0.440 87 D N -0.383 119.996 120.400 -0.034 0.000 2.144 87 D HA -0.173 4.468 4.640 0.002 0.000 0.199 87 D C 1.545 177.749 176.300 -0.160 0.000 0.984 87 D CA 1.319 55.262 54.000 -0.095 0.000 0.834 87 D CB -0.137 40.571 40.800 -0.153 0.000 0.955 87 D HN 0.325 nan 8.370 nan 0.000 0.465 88 Y N 0.100 120.353 120.300 -0.079 0.000 2.243 88 Y HA -0.046 4.505 4.550 0.002 0.000 0.293 88 Y C 2.144 177.984 175.900 -0.100 0.000 1.124 88 Y CA 0.240 58.300 58.100 -0.066 0.000 1.159 88 Y CB -0.264 38.161 38.460 -0.057 0.000 1.008 88 Y HN -0.079 nan 8.280 nan 0.000 0.527 89 L N 0.246 121.454 121.223 -0.025 0.000 2.046 89 L HA -0.198 4.144 4.340 0.002 0.000 0.208 89 L C 1.579 178.192 176.870 -0.429 0.000 1.077 89 L CA 1.842 56.475 54.840 -0.345 0.000 0.747 89 L CB -0.726 41.006 42.059 -0.546 0.000 0.896 89 L HN 0.077 nan 8.230 nan 0.000 0.432 90 D N -0.309 119.988 120.400 -0.173 0.000 2.104 90 D HA -0.167 4.474 4.640 0.002 0.000 0.194 90 D C 2.184 178.530 176.300 0.077 0.000 0.994 90 D CA 1.619 55.648 54.000 0.047 0.000 0.830 90 D CB -0.199 40.679 40.800 0.129 0.000 0.959 90 D HN 0.456 nan 8.370 nan 0.000 0.452 91 A N 0.086 122.913 122.820 0.011 0.000 2.015 91 A HA -0.073 4.249 4.320 0.002 0.000 0.219 91 A C 2.054 179.667 177.584 0.049 0.000 1.163 91 A CA 0.752 52.803 52.037 0.023 0.000 0.646 91 A CB -0.470 18.505 19.000 -0.041 0.000 0.806 91 A HN 0.255 nan 8.150 nan 0.000 0.448 92 L N -1.709 119.536 121.223 0.036 0.000 2.072 92 L HA -0.016 4.325 4.340 0.002 0.000 0.205 92 L C 2.006 178.974 176.870 0.163 0.000 1.079 92 L CA 1.616 56.497 54.840 0.068 0.000 0.752 92 L CB -0.713 41.381 42.059 0.058 0.000 0.906 92 L HN 0.529 nan 8.230 nan 0.000 0.436 93 W N 0.281 121.516 121.300 -0.108 0.000 2.425 93 W HA -0.070 4.591 4.660 0.002 0.000 0.277 93 W C 2.626 179.093 176.519 -0.086 0.000 1.231 93 W CA 1.131 58.369 57.345 -0.179 0.000 1.248 93 W CB -0.732 28.519 29.460 -0.349 0.000 1.117 93 W HN 0.351 nan 8.180 nan 0.000 0.568 94 E N 0.486 120.813 120.200 0.210 0.000 2.072 94 E HA -0.090 4.262 4.350 0.002 0.000 0.190 94 E C 2.219 178.868 176.600 0.081 0.000 0.982 94 E CA 1.928 58.416 56.400 0.147 0.000 0.803 94 E CB -0.611 29.171 29.700 0.136 0.000 0.755 94 E HN -0.035 nan 8.360 nan 0.000 0.453 95 A N 0.757 123.614 122.820 0.062 0.000 1.933 95 A HA -0.090 4.231 4.320 0.002 0.000 0.218 95 A C 2.163 179.747 177.584 -0.001 0.000 1.175 95 A CA 1.318 53.374 52.037 0.031 0.000 0.628 95 A CB -0.739 18.277 19.000 0.027 0.000 0.814 95 A HN 0.359 nan 8.150 nan 0.000 0.444 96 L N -0.621 120.577 121.223 -0.042 0.000 2.622 96 L HA -0.050 4.291 4.340 0.002 0.000 0.233 96 L C 0.032 176.870 176.870 -0.053 0.000 1.156 96 L CA 0.292 55.075 54.840 -0.094 0.000 0.866 96 L CB -0.945 40.994 42.059 -0.200 0.000 0.980 96 L HN 0.374 nan 8.230 nan 0.000 0.448 97 D N 0.128 120.519 120.400 -0.015 0.000 3.003 97 D HA -0.209 4.433 4.640 0.002 0.000 0.223 97 D C 0.855 177.139 176.300 -0.026 0.000 1.204 97 D CA 0.376 54.375 54.000 -0.001 0.000 0.828 97 D CB -0.475 40.331 40.800 0.009 0.000 0.918 97 D HN 0.209 nan 8.370 nan 0.000 0.401 98 L N 0.486 121.683 121.223 -0.043 0.000 2.341 98 L HA 0.261 4.603 4.340 0.002 0.000 0.214 98 L C 1.962 178.811 176.870 -0.035 0.000 1.115 98 L CA 0.478 55.267 54.840 -0.086 0.000 0.820 98 L CB -0.615 41.331 42.059 -0.187 0.000 0.944 98 L HN 0.648 nan 8.230 nan 0.000 0.452 99 G N 1.657 110.463 108.800 0.011 0.000 2.568 99 G HA2 -0.279 3.682 3.960 0.002 0.000 0.222 99 G HA3 -0.279 3.682 3.960 0.002 0.000 0.222 99 G C -0.464 174.468 174.900 0.053 0.000 1.321 99 G CA 0.047 45.162 45.100 0.024 0.000 0.893 99 G HN 0.425 nan 8.290 nan 0.000 0.569 100 D N -1.099 119.327 120.400 0.044 0.000 2.650 100 D HA 0.352 4.993 4.640 0.002 0.000 0.265 100 D C 0.757 177.086 176.300 0.048 0.000 1.339 100 D CA -0.299 53.738 54.000 0.061 0.000 0.816 100 D CB 0.359 41.189 40.800 0.050 0.000 1.091 100 D HN 0.385 nan 8.370 nan 0.000 0.483 101 R N 0.836 121.352 120.500 0.027 0.000 2.655 101 R HA 0.296 4.637 4.340 0.002 0.000 0.261 101 R C -1.154 175.136 176.300 -0.018 0.000 1.624 101 R CA -0.420 55.685 56.100 0.007 0.000 1.655 101 R CB 1.291 31.584 30.300 -0.011 0.000 1.356 101 R HN 0.004 nan 8.270 nan 0.000 0.684 102 V N 1.488 121.403 119.914 0.002 0.000 2.439 102 V HA 0.394 4.515 4.120 0.002 0.000 0.282 102 V C 0.466 176.523 176.094 -0.060 0.000 1.039 102 V CA -0.758 61.503 62.300 -0.064 0.000 0.913 102 V CB 2.202 33.970 31.823 -0.091 0.000 0.983 102 V HN 0.049 nan 8.190 nan 0.000 0.460 103 V N 6.512 126.348 119.914 -0.130 0.000 2.398 103 V HA 0.441 4.562 4.120 0.002 0.000 0.286 103 V C -0.109 175.869 176.094 -0.194 0.000 1.026 103 V CA -0.440 61.791 62.300 -0.115 0.000 0.868 103 V CB 1.528 33.261 31.823 -0.149 0.000 0.982 103 V HN 0.616 nan 8.190 nan 0.000 0.443 104 L N 5.527 126.690 121.223 -0.100 0.000 2.295 104 L HA 0.642 4.983 4.340 0.002 0.000 0.285 104 L C -0.629 176.142 176.870 -0.165 0.000 1.035 104 L CA -0.715 54.028 54.840 -0.161 0.000 0.806 104 L CB 1.845 43.908 42.059 0.006 0.000 1.214 104 L HN 0.332 nan 8.230 nan 0.000 0.426 105 V N 4.341 124.024 119.914 -0.386 0.000 2.349 105 V HA 0.419 4.541 4.120 0.002 0.000 0.284 105 V C -0.062 175.858 176.094 -0.290 0.000 1.014 105 V CA -0.592 61.448 62.300 -0.433 0.000 0.826 105 V CB 1.771 32.971 31.823 -1.038 0.000 1.009 105 V HN 0.550 nan 8.190 nan 0.000 0.431 106 V N 1.287 121.219 119.914 0.030 0.000 3.046 106 V HA 0.764 4.885 4.120 0.002 0.000 0.316 106 V C -0.739 175.600 176.094 0.408 0.000 1.104 106 V CA -0.562 61.851 62.300 0.188 0.000 1.006 106 V CB 2.211 34.017 31.823 -0.028 0.000 1.058 106 V HN 0.946 nan 8.190 nan 0.000 0.440 107 H N 0.273 119.497 119.070 0.256 0.000 3.046 107 H HA 0.317 4.875 4.556 0.004 0.000 0.363 107 H C 0.081 175.421 175.328 0.019 0.000 1.203 107 H CA 0.464 56.600 56.048 0.147 0.000 1.169 107 H CB 2.524 32.387 29.762 0.169 0.000 1.851 107 H HN 1.106 nan 8.280 nan 0.000 0.546 108 D N 2.041 122.144 120.400 -0.496 0.000 3.899 108 D HA -0.348 4.293 4.640 0.002 0.000 0.146 108 D C 0.790 176.797 176.300 -0.487 0.000 0.820 108 D CA 2.792 56.483 54.000 -0.515 0.000 1.056 108 D CB -1.009 39.426 40.800 -0.608 0.000 0.474 108 D HN 0.654 nan 8.370 nan 0.000 0.457 109 W N 0.377 121.444 121.300 -0.389 0.000 2.595 109 W HA 0.239 4.899 4.660 0.002 0.000 0.257 109 W C 2.442 178.761 176.519 -0.333 0.000 1.267 109 W CA 0.642 57.674 57.345 -0.522 0.000 1.300 109 W CB -0.371 28.297 29.460 -1.319 0.000 1.120 109 W HN 0.391 nan 8.180 nan 0.000 0.618 110 G N -0.190 108.567 108.800 -0.072 0.000 2.422 110 G HA2 -0.286 3.676 3.960 0.002 0.000 0.218 110 G HA3 -0.286 3.676 3.960 0.002 0.000 0.218 110 G C 1.589 176.438 174.900 -0.086 0.000 1.140 110 G CA 1.394 46.497 45.100 0.005 0.000 0.775 110 G HN 0.302 nan 8.290 nan 0.000 0.545 111 S N 1.047 116.596 115.700 -0.251 0.000 2.387 111 S HA 0.230 4.701 4.470 0.002 0.000 0.226 111 S C 2.603 176.775 174.600 -0.714 0.000 1.026 111 S CA 1.307 59.064 58.200 -0.739 0.000 0.972 111 S CB -0.379 62.379 63.200 -0.736 0.000 0.814 111 S HN 0.506 nan 8.310 nan 0.000 0.477 112 A N 2.123 124.808 122.820 -0.224 0.000 1.877 112 A HA 0.151 4.472 4.320 0.002 0.000 0.216 112 A C 2.332 180.130 177.584 0.355 0.000 1.186 112 A CA 1.456 53.577 52.037 0.140 0.000 0.620 112 A CB -0.900 18.279 19.000 0.299 0.000 0.822 112 A HN 0.530 nan 8.150 nan 0.000 0.443 113 L N -0.884 120.560 121.223 0.368 0.000 2.109 113 L HA -0.054 4.288 4.340 0.002 0.000 0.207 113 L C 2.792 179.817 176.870 0.258 0.000 1.086 113 L CA 0.959 55.999 54.840 0.334 0.000 0.760 113 L CB -0.598 41.531 42.059 0.116 0.000 0.910 113 L HN 0.494 nan 8.230 nan 0.000 0.437 114 G N -0.501 108.385 108.800 0.143 0.000 2.394 114 G HA2 -0.218 3.743 3.960 0.002 0.000 0.214 114 G HA3 -0.218 3.743 3.960 0.002 0.000 0.214 114 G C 1.320 176.422 174.900 0.336 0.000 1.176 114 G CA 0.216 45.468 45.100 0.253 0.000 0.786 114 G HN 0.125 nan 8.290 nan 0.000 0.533 115 F N 1.552 121.520 119.950 0.031 0.000 2.126 115 F HA -0.008 4.521 4.527 0.003 0.000 0.299 115 F C 2.261 178.077 175.800 0.027 0.000 1.096 115 F CA 0.838 58.761 58.000 -0.129 0.000 1.255 115 F CB -0.884 37.626 39.000 -0.817 0.000 0.997 115 F HN 0.205 nan 8.300 nan 0.000 0.479 116 D N -1.187 119.395 120.400 0.303 0.000 2.097 116 D HA -0.259 4.382 4.640 0.002 0.000 0.195 116 D C 2.198 178.703 176.300 0.342 0.000 0.989 116 D CA 1.306 55.571 54.000 0.443 0.000 0.827 116 D CB -0.492 40.672 40.800 0.607 0.000 0.966 116 D HN 0.297 nan 8.370 nan 0.000 0.456 117 W N 1.140 122.600 121.300 0.267 0.000 2.358 117 W HA -0.090 4.572 4.660 0.004 0.000 0.303 117 W C 2.305 179.009 176.519 0.308 0.000 1.208 117 W CA 2.344 59.887 57.345 0.330 0.000 1.274 117 W CB -0.464 29.223 29.460 0.379 0.000 1.138 117 W HN 0.059 nan 8.180 nan 0.000 0.515 118 A N 0.663 123.803 122.820 0.533 0.000 1.883 118 A HA -0.248 4.073 4.320 0.002 0.000 0.217 118 A C 2.084 179.465 177.584 -0.338 0.000 1.186 118 A CA 2.044 54.264 52.037 0.304 0.000 0.624 118 A CB -1.073 18.247 19.000 0.533 0.000 0.822 118 A HN 0.432 nan 8.150 nan 0.000 0.444 119 R N -0.473 119.645 120.500 -0.637 0.000 2.070 119 R HA -0.129 4.213 4.340 0.002 0.000 0.233 119 R C 2.363 178.186 176.300 -0.794 0.000 1.137 119 R CA 1.707 57.017 56.100 -1.317 0.000 0.945 119 R CB -0.266 29.570 30.300 -0.773 0.000 0.845 119 R HN 0.519 nan 8.270 nan 0.000 0.430 120 R N -1.121 119.069 120.500 -0.517 0.000 2.193 120 R HA -0.100 4.242 4.340 0.002 0.000 0.229 120 R C 0.390 176.142 176.300 -0.913 0.000 1.110 120 R CA 1.270 56.999 56.100 -0.619 0.000 0.988 120 R CB -0.048 29.931 30.300 -0.534 0.000 0.871 120 R HN 0.460 nan 8.270 nan 0.000 0.458 121 H N -0.806 117.866 119.070 -0.663 0.000 2.587 121 H HA 0.156 4.714 4.556 0.003 0.000 0.245 121 H C 0.763 175.856 175.328 -0.390 0.000 1.238 121 H CA -0.424 55.237 56.048 -0.645 0.000 0.963 121 H CB 0.384 29.410 29.762 -1.226 0.000 1.904 121 H HN 0.143 nan 8.280 nan 0.000 0.584 122 R N 0.551 120.895 120.500 -0.259 0.000 2.119 122 R HA -0.161 4.180 4.340 0.002 0.000 0.246 122 R C 0.820 177.145 176.300 0.042 0.000 1.146 122 R CA 1.640 57.703 56.100 -0.062 0.000 0.962 122 R CB -0.166 30.099 30.300 -0.058 0.000 0.863 122 R HN 0.220 nan 8.270 nan 0.000 0.442 123 E N 1.044 121.240 120.200 -0.006 0.000 2.267 123 E HA -0.153 4.199 4.350 0.002 0.000 0.197 123 E C 1.755 178.386 176.600 0.051 0.000 0.998 123 E CA 1.125 57.539 56.400 0.023 0.000 0.830 123 E CB -0.118 29.581 29.700 -0.001 0.000 0.751 123 E HN 0.560 nan 8.360 nan 0.000 0.491 124 R N 0.292 120.832 120.500 0.067 0.000 2.317 124 R HA 0.142 4.484 4.340 0.002 0.000 0.208 124 R C 0.147 176.546 176.300 0.164 0.000 0.914 124 R CA -0.041 56.129 56.100 0.117 0.000 1.060 124 R CB 0.746 31.143 30.300 0.162 0.000 1.015 124 R HN -0.129 nan 8.270 nan 0.000 0.498 125 V N 1.647 121.662 119.914 0.170 0.000 2.333 125 V HA 0.067 4.189 4.120 0.002 0.000 0.274 125 V C 1.001 177.171 176.094 0.126 0.000 1.028 125 V CA -0.180 62.238 62.300 0.197 0.000 0.851 125 V CB 1.378 33.374 31.823 0.287 0.000 1.000 125 V HN 0.207 nan 8.190 nan 0.000 0.456 126 Q N 3.649 123.491 119.800 0.070 0.000 2.137 126 Q HA 0.225 4.567 4.340 0.002 0.000 0.198 126 Q C 0.822 176.820 176.000 -0.003 0.000 0.960 126 Q CA 1.096 56.905 55.803 0.010 0.000 0.847 126 Q CB 0.539 29.251 28.738 -0.043 0.000 0.915 126 Q HN 0.919 nan 8.270 nan 0.000 0.448 127 G N -0.248 108.577 108.800 0.041 0.000 2.632 127 G HA2 0.502 4.464 3.960 0.002 0.000 0.292 127 G HA3 0.502 4.464 3.960 0.002 0.000 0.292 127 G C -1.721 173.334 174.900 0.258 0.000 1.465 127 G CA -0.768 44.404 45.100 0.121 0.000 0.824 127 G HN 0.138 nan 8.290 nan 0.000 0.509 128 I N 0.759 121.579 120.570 0.417 0.000 2.478 128 I HA 0.600 4.772 4.170 0.002 0.000 0.287 128 I C 0.083 176.445 176.117 0.407 0.000 1.042 128 I CA -0.969 60.557 61.300 0.376 0.000 1.067 128 I CB 2.234 40.437 38.000 0.339 0.000 1.233 128 I HN 0.676 nan 8.210 nan 0.000 0.431 129 A N 6.743 129.746 122.820 0.304 0.000 2.291 129 A HA 0.777 5.098 4.320 0.002 0.000 0.311 129 A C -1.143 176.617 177.584 0.294 0.000 1.224 129 A CA -0.373 51.754 52.037 0.150 0.000 0.821 129 A CB 0.452 19.460 19.000 0.013 0.000 1.172 129 A HN 0.651 nan 8.150 nan 0.000 0.494 130 Y N 0.527 120.936 120.300 0.182 0.000 2.570 130 Y HA 0.863 5.415 4.550 0.003 0.000 0.345 130 Y C -0.672 175.394 175.900 0.276 0.000 1.014 130 Y CA -2.106 56.155 58.100 0.267 0.000 1.063 130 Y CB 1.459 40.212 38.460 0.487 0.000 1.272 130 Y HN 0.782 nan 8.280 nan 0.000 0.477 131 M N 0.410 120.156 119.600 0.243 0.000 2.471 131 M HA 0.431 4.912 4.480 0.002 0.000 0.284 131 M C -1.074 175.370 176.300 0.240 0.000 1.203 131 M CA -0.792 54.583 55.300 0.125 0.000 0.915 131 M CB 2.376 34.983 32.600 0.012 0.000 1.734 131 M HN 0.721 nan 8.290 nan 0.000 0.485 132 E N 0.379 120.688 120.200 0.182 0.000 2.103 132 E HA -0.168 4.183 4.350 0.002 0.000 0.186 132 E C -0.634 176.069 176.600 0.173 0.000 1.392 132 E CA 1.245 57.750 56.400 0.174 0.000 0.691 132 E CB -1.166 28.585 29.700 0.084 0.000 1.068 132 E HN 0.786 nan 8.360 nan 0.000 0.328 133 A N 0.670 123.618 122.820 0.214 0.000 2.299 133 A HA 0.710 5.031 4.320 0.002 0.000 0.332 133 A C 0.504 178.161 177.584 0.121 0.000 1.131 133 A CA -0.636 51.502 52.037 0.169 0.000 0.844 133 A CB 0.944 20.185 19.000 0.403 0.000 1.251 133 A HN 0.270 nan 8.150 nan 0.000 0.486 134 I N 1.955 122.543 120.570 0.031 0.000 2.256 134 I HA 0.194 4.365 4.170 0.002 0.000 0.294 134 I C 1.224 177.561 176.117 0.367 0.000 1.127 134 I CA -0.030 61.290 61.300 0.033 0.000 1.247 134 I CB 0.858 38.710 38.000 -0.247 0.000 1.460 134 I HN 0.757 nan 8.210 nan 0.000 0.511 135 A N 7.546 130.610 122.820 0.407 0.000 2.081 135 A HA 0.255 4.576 4.320 0.002 0.000 0.214 135 A C 0.816 178.770 177.584 0.616 0.000 1.158 135 A CA 0.625 53.028 52.037 0.610 0.000 0.724 135 A CB 0.170 19.423 19.000 0.422 0.000 0.826 135 A HN 0.756 nan 8.150 nan 0.000 0.463 136 M N -3.303 116.485 119.600 0.313 0.000 2.790 136 M HA 0.488 4.969 4.480 0.002 0.000 0.272 136 M C -3.299 172.984 176.300 -0.028 0.000 1.168 136 M CA -1.914 53.434 55.300 0.081 0.000 0.829 136 M CB 1.548 34.066 32.600 -0.138 0.000 1.675 136 M HN -0.242 nan 8.290 nan 0.000 0.505 137 P HA 0.381 nan 4.420 nan 0.000 0.271 137 P C -1.040 176.189 177.300 -0.118 0.000 1.218 137 P CA -0.063 62.972 63.100 -0.108 0.000 0.780 137 P CB 0.614 32.242 31.700 -0.119 0.000 0.901 138 I N -1.468 119.026 120.570 -0.128 0.000 3.294 138 I HA 0.611 4.783 4.170 0.002 0.000 0.311 138 I C -0.398 175.605 176.117 -0.190 0.000 1.111 138 I CA -1.275 59.943 61.300 -0.136 0.000 0.976 138 I CB 2.246 40.182 38.000 -0.108 0.000 1.260 138 I HN 0.104 nan 8.210 nan 0.000 0.474 139 E N 0.674 120.779 120.200 -0.159 0.000 2.281 139 E HA 0.182 4.534 4.350 0.002 0.000 0.262 139 E C -0.379 176.122 176.600 -0.165 0.000 0.933 139 E CA -0.474 55.827 56.400 -0.164 0.000 0.809 139 E CB 1.730 31.405 29.700 -0.042 0.000 1.242 139 E HN 0.819 nan 8.360 nan 0.000 0.418 140 W N 0.953 122.277 121.300 0.039 0.000 2.342 140 W HA -0.180 4.481 4.660 0.002 0.000 0.297 140 W C 2.217 178.789 176.519 0.089 0.000 1.213 140 W CA 1.434 58.811 57.345 0.054 0.000 1.251 140 W CB -0.112 29.358 29.460 0.016 0.000 1.136 140 W HN 0.691 nan 8.180 nan 0.000 0.526 141 A N 0.027 122.994 122.820 0.246 0.000 2.024 141 A HA -0.211 4.110 4.320 0.002 0.000 0.220 141 A C 1.512 179.165 177.584 0.115 0.000 1.164 141 A CA 1.968 54.100 52.037 0.159 0.000 0.643 141 A CB -0.656 18.403 19.000 0.098 0.000 0.806 141 A HN 0.253 nan 8.150 nan 0.000 0.451 142 D N -1.842 118.611 120.400 0.087 0.000 2.347 142 D HA 0.056 4.698 4.640 0.002 0.000 0.213 142 D C -0.010 176.317 176.300 0.045 0.000 0.985 142 D CA 0.120 54.141 54.000 0.036 0.000 0.879 142 D CB -0.029 40.767 40.800 -0.007 0.000 0.919 142 D HN 0.425 nan 8.370 nan 0.000 0.526 143 F N 1.880 121.822 119.950 -0.013 0.000 2.412 143 F HA 0.234 4.763 4.527 0.003 0.000 0.348 143 F C -1.991 173.803 175.800 -0.009 0.000 1.102 143 F CA -2.528 55.458 58.000 -0.023 0.000 1.196 143 F CB 0.835 39.888 39.000 0.087 0.000 1.144 143 F HN -0.317 nan 8.300 nan 0.000 0.541 144 P HA -0.095 nan 4.420 nan 0.000 0.256 144 P C 0.315 177.551 177.300 -0.107 0.000 1.173 144 P CA 0.710 63.568 63.100 -0.402 0.000 0.768 144 P CB 0.385 31.714 31.700 -0.617 0.000 0.758 145 E N 3.519 123.712 120.200 -0.011 0.000 2.153 145 E HA -0.283 4.069 4.350 0.002 0.000 0.194 145 E C 1.711 178.344 176.600 0.055 0.000 0.988 145 E CA 1.144 57.580 56.400 0.060 0.000 0.811 145 E CB 0.082 29.804 29.700 0.037 0.000 0.746 145 E HN 0.557 nan 8.360 nan 0.000 0.466 146 Q N -0.173 119.638 119.800 0.018 0.000 2.226 146 Q HA -0.152 4.190 4.340 0.002 0.000 0.204 146 Q C 0.874 176.912 176.000 0.063 0.000 0.975 146 Q CA 1.670 57.489 55.803 0.027 0.000 0.866 146 Q CB 0.221 28.964 28.738 0.008 0.000 0.915 146 Q HN 0.151 nan 8.270 nan 0.000 0.440 147 D N -0.292 120.176 120.400 0.114 0.000 2.469 147 D HA 0.098 4.740 4.640 0.002 0.000 0.215 147 D C 1.177 177.707 176.300 0.383 0.000 1.154 147 D CA -0.201 53.941 54.000 0.236 0.000 0.832 147 D CB 0.250 41.222 40.800 0.287 0.000 1.008 147 D HN 0.273 nan 8.370 nan 0.000 0.506 148 R N 1.255 121.955 120.500 0.334 0.000 2.080 148 R HA -0.156 4.186 4.340 0.002 0.000 0.236 148 R C 1.136 177.412 176.300 -0.041 0.000 1.137 148 R CA 1.674 57.950 56.100 0.294 0.000 0.943 148 R CB 0.183 30.636 30.300 0.255 0.000 0.846 148 R HN -0.080 nan 8.270 nan 0.000 0.431 149 D N 0.426 120.783 120.400 -0.072 0.000 2.144 149 D HA -0.163 4.478 4.640 0.002 0.000 0.199 149 D C 1.777 177.948 176.300 -0.214 0.000 0.984 149 D CA 0.754 54.650 54.000 -0.173 0.000 0.834 149 D CB -0.219 40.511 40.800 -0.117 0.000 0.955 149 D HN 0.163 nan 8.370 nan 0.000 0.465 150 L N -0.388 120.730 121.223 -0.176 0.000 2.046 150 L HA -0.104 4.238 4.340 0.002 0.000 0.208 150 L C 1.893 178.289 176.870 -0.790 0.000 1.077 150 L CA 1.525 56.118 54.840 -0.412 0.000 0.747 150 L CB -0.603 41.270 42.059 -0.309 0.000 0.896 150 L HN -0.101 nan 8.230 nan 0.000 0.432 151 F N -0.188 119.416 119.950 -0.578 0.000 2.259 151 F HA -0.133 4.395 4.527 0.002 0.000 0.298 151 F C 2.538 178.188 175.800 -0.250 0.000 1.088 151 F CA 1.287 59.034 58.000 -0.422 0.000 1.358 151 F CB -0.491 38.386 39.000 -0.206 0.000 1.040 151 F HN 0.224 nan 8.300 nan 0.000 0.505 152 Q N -0.429 119.192 119.800 -0.298 0.000 2.224 152 Q HA -0.101 4.240 4.340 0.002 0.000 0.203 152 Q C 2.414 178.302 176.000 -0.187 0.000 0.970 152 Q CA 1.200 56.766 55.803 -0.395 0.000 0.865 152 Q CB -0.395 27.921 28.738 -0.705 0.000 0.922 152 Q HN 0.415 nan 8.270 nan 0.000 0.445 153 A N 0.395 123.074 122.820 -0.234 0.000 1.968 153 A HA -0.100 4.221 4.320 0.002 0.000 0.217 153 A C 1.571 179.169 177.584 0.024 0.000 1.169 153 A CA 0.726 52.681 52.037 -0.136 0.000 0.638 153 A CB -0.397 18.494 19.000 -0.182 0.000 0.812 153 A HN 0.239 nan 8.150 nan 0.000 0.446 154 F N 0.155 120.086 119.950 -0.032 0.000 2.234 154 F HA -0.021 4.507 4.527 0.002 0.000 0.299 154 F C 1.878 177.698 175.800 0.035 0.000 1.087 154 F CA 0.848 58.837 58.000 -0.018 0.000 1.340 154 F CB -0.483 38.481 39.000 -0.058 0.000 1.031 154 F HN 0.131 nan 8.300 nan 0.000 0.500 155 R N 0.176 120.827 120.500 0.251 0.000 2.752 155 R HA 0.201 4.543 4.340 0.002 0.000 0.279 155 R C 0.121 176.495 176.300 0.124 0.000 1.212 155 R CA 0.046 56.268 56.100 0.203 0.000 1.169 155 R CB -0.151 30.305 30.300 0.261 0.000 1.286 155 R HN 0.196 nan 8.270 nan 0.000 0.564 156 S N -1.838 113.921 115.700 0.099 0.000 2.697 156 S HA 0.175 4.646 4.470 0.002 0.000 0.289 156 S C 0.598 175.234 174.600 0.060 0.000 1.149 156 S CA -1.022 57.213 58.200 0.058 0.000 0.850 156 S CB 1.600 64.812 63.200 0.021 0.000 1.151 156 S HN -0.063 nan 8.310 nan 0.000 0.491 157 Q N 0.093 119.918 119.800 0.041 0.000 2.508 157 Q HA 0.058 4.400 4.340 0.002 0.000 0.214 157 Q C 1.734 177.758 176.000 0.040 0.000 0.979 157 Q CA 1.250 57.076 55.803 0.037 0.000 0.911 157 Q CB -0.822 27.931 28.738 0.026 0.000 0.969 157 Q HN 0.829 nan 8.270 nan 0.000 0.504 158 A N 0.089 122.937 122.820 0.046 0.000 2.218 158 A HA 0.212 4.534 4.320 0.002 0.000 0.209 158 A C 2.152 179.788 177.584 0.087 0.000 1.168 158 A CA 0.726 52.793 52.037 0.051 0.000 0.804 158 A CB -0.294 18.726 19.000 0.034 0.000 0.834 158 A HN 0.380 nan 8.150 nan 0.000 0.482 159 G N -0.031 108.837 108.800 0.113 0.000 2.432 159 G HA2 -0.167 3.794 3.960 0.002 0.000 0.219 159 G HA3 -0.167 3.794 3.960 0.002 0.000 0.219 159 G C 1.297 176.235 174.900 0.063 0.000 1.135 159 G CA 1.128 46.320 45.100 0.153 0.000 0.767 159 G HN 0.507 nan 8.290 nan 0.000 0.550 160 E N 0.188 120.412 120.200 0.041 0.000 2.051 160 E HA -0.067 4.285 4.350 0.002 0.000 0.192 160 E C 2.277 178.886 176.600 0.016 0.000 0.991 160 E CA 1.143 57.553 56.400 0.016 0.000 0.799 160 E CB -0.183 29.527 29.700 0.017 0.000 0.748 160 E HN 0.641 nan 8.360 nan 0.000 0.449 161 E N 0.132 120.350 120.200 0.030 0.000 2.047 161 E HA -0.171 4.180 4.350 0.002 0.000 0.191 161 E C 2.041 178.663 176.600 0.036 0.000 0.987 161 E CA 0.776 57.193 56.400 0.029 0.000 0.799 161 E CB -0.083 29.636 29.700 0.031 0.000 0.752 161 E HN 0.195 nan 8.360 nan 0.000 0.449 162 L N 0.229 121.490 121.223 0.064 0.000 2.012 162 L HA -0.212 4.129 4.340 0.002 0.000 0.210 162 L C 2.438 179.328 176.870 0.033 0.000 1.073 162 L CA 1.127 56.022 54.840 0.093 0.000 0.748 162 L CB -0.273 41.923 42.059 0.228 0.000 0.891 162 L HN 0.125 nan 8.230 nan 0.000 0.431 163 V N -0.894 119.000 119.914 -0.033 0.000 2.403 163 V HA -0.105 4.017 4.120 0.002 0.000 0.239 163 V C 2.143 178.191 176.094 -0.076 0.000 1.041 163 V CA 0.825 63.056 62.300 -0.114 0.000 1.051 163 V CB -0.253 31.425 31.823 -0.242 0.000 0.704 163 V HN 0.255 nan 8.190 nan 0.000 0.472 164 L N 0.058 121.249 121.223 -0.054 0.000 2.093 164 L HA -0.178 4.164 4.340 0.002 0.000 0.208 164 L C 2.555 179.423 176.870 -0.004 0.000 1.085 164 L CA 1.927 56.750 54.840 -0.028 0.000 0.755 164 L CB -0.544 41.505 42.059 -0.016 0.000 0.904 164 L HN 0.444 nan 8.230 nan 0.000 0.435 165 Q N -0.128 119.673 119.800 0.002 0.000 2.134 165 Q HA -0.121 4.220 4.340 0.002 0.000 0.195 165 Q C 1.076 177.086 176.000 0.015 0.000 0.958 165 Q CA 1.137 56.947 55.803 0.012 0.000 0.840 165 Q CB 0.430 29.177 28.738 0.015 0.000 0.918 165 Q HN 0.393 nan 8.270 nan 0.000 0.467 166 D N 0.038 120.447 120.400 0.016 0.000 2.369 166 D HA 0.030 4.671 4.640 0.002 0.000 0.211 166 D C -0.211 176.100 176.300 0.019 0.000 1.077 166 D CA 0.080 54.092 54.000 0.021 0.000 0.842 166 D CB 0.172 40.990 40.800 0.029 0.000 0.947 166 D HN 0.207 nan 8.370 nan 0.000 0.509 167 N N 0.289 118.990 118.700 0.001 0.000 2.740 167 N HA -0.172 4.569 4.740 0.002 0.000 0.248 167 N C 0.921 176.433 175.510 0.004 0.000 1.062 167 N CA 0.131 53.175 53.050 -0.009 0.000 0.704 167 N CB -1.322 37.180 38.487 0.025 0.000 0.968 167 N HN -0.012 nan 8.380 nan 0.000 0.547 168 V N -0.578 119.341 119.914 0.008 0.000 2.343 168 V HA -0.234 3.887 4.120 0.002 0.000 0.247 168 V C 1.977 178.090 176.094 0.032 0.000 1.051 168 V CA 2.092 64.417 62.300 0.043 0.000 1.036 168 V CB -0.584 31.311 31.823 0.120 0.000 0.654 168 V HN 0.477 nan 8.190 nan 0.000 0.451 169 F N 0.275 120.146 119.950 -0.131 0.000 2.095 169 F HA -0.193 4.334 4.527 0.001 0.000 0.298 169 F C 2.246 178.011 175.800 -0.059 0.000 1.104 169 F CA 1.876 59.816 58.000 -0.101 0.000 1.232 169 F CB -0.314 38.525 39.000 -0.269 0.000 0.987 169 F HN -0.055 nan 8.300 nan 0.000 0.475 170 V N -0.338 119.647 119.914 0.119 0.000 2.379 170 V HA -0.190 3.931 4.120 0.002 0.000 0.245 170 V C 2.080 178.189 176.094 0.025 0.000 1.044 170 V CA 1.922 64.254 62.300 0.054 0.000 1.036 170 V CB -0.442 31.415 31.823 0.056 0.000 0.664 170 V HN 0.263 nan 8.190 nan 0.000 0.453 171 E N -0.670 119.549 120.200 0.032 0.000 2.340 171 E HA -0.082 4.269 4.350 0.002 0.000 0.194 171 E C 1.922 178.534 176.600 0.020 0.000 0.996 171 E CA 0.490 56.907 56.400 0.028 0.000 0.869 171 E CB 0.406 30.127 29.700 0.035 0.000 0.835 171 E HN 0.684 nan 8.360 nan 0.000 0.493 172 Q N 0.399 120.210 119.800 0.019 0.000 2.606 172 Q HA 0.013 4.355 4.340 0.002 0.000 0.215 172 Q C 2.212 178.222 176.000 0.018 0.000 0.908 172 Q CA 0.339 56.155 55.803 0.022 0.000 0.908 172 Q CB 0.474 29.232 28.738 0.033 0.000 1.120 172 Q HN -0.010 nan 8.270 nan 0.000 0.628 173 V N 2.108 122.012 119.914 -0.018 0.000 2.233 173 V HA -0.272 3.849 4.120 0.002 0.000 0.247 173 V C 2.442 178.603 176.094 0.113 0.000 1.050 173 V CA 1.835 64.127 62.300 -0.014 0.000 1.010 173 V CB -0.813 30.772 31.823 -0.397 0.000 0.637 173 V HN 0.406 nan 8.190 nan 0.000 0.444 174 L N 1.188 122.412 121.223 0.002 0.000 1.970 174 L HA -0.087 4.255 4.340 0.002 0.000 0.212 174 L C -0.053 176.722 176.870 -0.158 0.000 1.071 174 L CA 2.622 57.283 54.840 -0.298 0.000 0.751 174 L CB -1.989 39.776 42.059 -0.490 0.000 0.889 174 L HN 0.249 nan 8.230 nan 0.000 0.432 175 P HA -0.073 nan 4.420 nan 0.000 0.217 175 P C 1.582 178.907 177.300 0.042 0.000 1.150 175 P CA 1.747 64.838 63.100 -0.015 0.000 0.832 175 P CB -0.393 31.308 31.700 0.003 0.000 0.787 176 G N -0.547 108.290 108.800 0.062 0.000 2.470 176 G HA2 -0.168 3.794 3.960 0.002 0.000 0.220 176 G HA3 -0.168 3.794 3.960 0.002 0.000 0.220 176 G C 1.053 176.027 174.900 0.124 0.000 1.121 176 G CA 0.401 45.550 45.100 0.082 0.000 0.766 176 G HN 0.265 nan 8.290 nan 0.000 0.553 177 L N 0.532 121.885 121.223 0.217 0.000 2.872 177 L HA 0.471 4.812 4.340 0.002 0.000 0.245 177 L C -0.320 176.730 176.870 0.299 0.000 1.211 177 L CA -0.147 54.864 54.840 0.284 0.000 1.013 177 L CB 0.281 42.596 42.059 0.425 0.000 1.326 177 L HN 0.076 nan 8.230 nan 0.000 0.525 178 I N -0.154 120.529 120.570 0.189 0.000 2.447 178 I HA 0.134 4.306 4.170 0.002 0.000 0.287 178 I C 0.957 177.119 176.117 0.075 0.000 1.023 178 I CA -0.508 60.871 61.300 0.131 0.000 1.083 178 I CB 2.475 40.529 38.000 0.090 0.000 1.245 178 I HN 0.076 nan 8.210 nan 0.000 0.434 179 L N 4.469 125.724 121.223 0.053 0.000 2.201 179 L HA -0.059 4.282 4.340 0.002 0.000 0.212 179 L C 1.023 177.909 176.870 0.027 0.000 1.105 179 L CA 1.009 55.869 54.840 0.033 0.000 0.775 179 L CB -0.622 41.447 42.059 0.017 0.000 0.913 179 L HN 0.650 nan 8.230 nan 0.000 0.440 180 R N 0.539 121.057 120.500 0.029 0.000 2.604 180 R HA 0.453 4.795 4.340 0.002 0.000 0.287 180 R C -2.639 173.681 176.300 0.033 0.000 0.970 180 R CA -2.095 54.021 56.100 0.026 0.000 0.946 180 R CB -0.614 29.699 30.300 0.022 0.000 1.127 180 R HN -0.231 nan 8.270 nan 0.000 0.473 181 P HA 0.058 nan 4.420 nan 0.000 0.271 181 P C -0.582 176.744 177.300 0.043 0.000 1.226 181 P CA -0.081 63.039 63.100 0.034 0.000 0.765 181 P CB 0.699 32.416 31.700 0.028 0.000 0.835 182 L N 2.116 123.370 121.223 0.053 0.000 2.453 182 L HA 0.202 4.543 4.340 0.002 0.000 0.261 182 L C 1.520 178.430 176.870 0.066 0.000 1.179 182 L CA -0.317 54.567 54.840 0.074 0.000 0.813 182 L CB 0.625 42.745 42.059 0.101 0.000 1.110 182 L HN 0.510 nan 8.230 nan 0.000 0.466 183 S N -0.234 115.510 115.700 0.073 0.000 2.652 183 S HA 0.087 4.559 4.470 0.002 0.000 0.270 183 S C 0.828 175.462 174.600 0.057 0.000 1.243 183 S CA -0.517 57.717 58.200 0.057 0.000 0.999 183 S CB 1.486 64.719 63.200 0.054 0.000 0.973 183 S HN 0.765 nan 8.310 nan 0.000 0.544 184 E N 1.022 121.246 120.200 0.040 0.000 2.085 184 E HA -0.203 4.148 4.350 0.002 0.000 0.194 184 E C 2.003 178.618 176.600 0.024 0.000 0.994 184 E CA 1.429 57.848 56.400 0.031 0.000 0.801 184 E CB -0.576 29.137 29.700 0.021 0.000 0.743 184 E HN 0.832 nan 8.360 nan 0.000 0.453 185 A N 0.890 123.725 122.820 0.025 0.000 1.969 185 A HA -0.164 4.157 4.320 0.002 0.000 0.218 185 A C 1.870 179.454 177.584 0.000 0.000 1.169 185 A CA 1.376 53.418 52.037 0.008 0.000 0.635 185 A CB -0.348 18.667 19.000 0.024 0.000 0.810 185 A HN 0.338 nan 8.150 nan 0.000 0.445 186 E N -0.913 119.328 120.200 0.068 0.000 2.107 186 E HA -0.119 4.232 4.350 0.002 0.000 0.191 186 E C 1.886 178.536 176.600 0.083 0.000 0.982 186 E CA 1.018 57.496 56.400 0.129 0.000 0.809 186 E CB -0.182 29.644 29.700 0.209 0.000 0.756 186 E HN 0.410 nan 8.360 nan 0.000 0.459 187 M N 0.304 119.964 119.600 0.100 0.000 2.254 187 M HA -0.019 4.462 4.480 0.002 0.000 0.265 187 M C 2.325 178.652 176.300 0.044 0.000 1.066 187 M CA 0.929 56.303 55.300 0.122 0.000 1.123 187 M CB -0.845 31.808 32.600 0.087 0.000 1.388 187 M HN 0.104 nan 8.290 nan 0.000 0.425 188 A N 0.178 122.982 122.820 -0.026 0.000 1.877 188 A HA -0.047 4.275 4.320 0.002 0.000 0.216 188 A C 2.387 179.875 177.584 -0.161 0.000 1.186 188 A CA 2.203 54.200 52.037 -0.067 0.000 0.620 188 A CB -1.013 17.944 19.000 -0.071 0.000 0.822 188 A HN 0.462 nan 8.150 nan 0.000 0.443 189 A N -1.743 120.870 122.820 -0.346 0.000 1.978 189 A HA -0.090 4.232 4.320 0.002 0.000 0.220 189 A C 2.075 179.340 177.584 -0.531 0.000 1.170 189 A CA 1.705 53.352 52.037 -0.652 0.000 0.636 189 A CB -0.705 17.396 19.000 -1.499 0.000 0.810 189 A HN 0.588 nan 8.150 nan 0.000 0.448 190 Y N -0.065 120.094 120.300 -0.235 0.000 2.286 190 Y HA -0.070 4.482 4.550 0.003 0.000 0.293 190 Y C 2.542 178.463 175.900 0.035 0.000 1.124 190 Y CA 1.445 59.504 58.100 -0.068 0.000 1.178 190 Y CB -0.272 38.183 38.460 -0.008 0.000 1.010 190 Y HN 0.522 nan 8.280 nan 0.000 0.536 191 R N 0.603 121.206 120.500 0.171 0.000 2.240 191 R HA -0.053 4.289 4.340 0.002 0.000 0.203 191 R C 1.813 178.156 176.300 0.071 0.000 1.011 191 R CA 1.087 57.289 56.100 0.170 0.000 1.007 191 R CB -0.454 29.916 30.300 0.117 0.000 0.911 191 R HN 0.324 nan 8.270 nan 0.000 0.468 192 E N 1.607 121.785 120.200 -0.037 0.000 2.070 192 E HA -0.144 4.207 4.350 0.002 0.000 0.197 192 E C -0.753 175.742 176.600 -0.176 0.000 1.004 192 E CA 1.493 57.833 56.400 -0.099 0.000 0.805 192 E CB -0.559 29.057 29.700 -0.139 0.000 0.744 192 E HN 0.370 nan 8.360 nan 0.000 0.451 193 P HA -0.086 nan 4.420 nan 0.000 0.230 193 P C -0.118 176.702 177.300 -0.801 0.000 1.158 193 P CA 1.019 63.729 63.100 -0.650 0.000 0.769 193 P CB 0.008 31.127 31.700 -0.969 0.000 0.807 194 F N -2.161 117.788 119.950 -0.002 0.000 2.850 194 F HA 0.297 4.825 4.527 0.002 0.000 0.329 194 F C 1.427 177.225 175.800 -0.004 0.000 1.182 194 F CA -0.345 57.651 58.000 -0.006 0.000 1.270 194 F CB -0.742 38.256 39.000 -0.003 0.000 0.979 194 F HN -0.245 nan 8.300 nan 0.000 0.506 195 L N 0.407 121.673 121.223 0.072 0.000 2.141 195 L HA 0.036 4.377 4.340 0.002 0.000 0.209 195 L C 1.538 178.439 176.870 0.053 0.000 1.094 195 L CA 0.515 55.386 54.840 0.053 0.000 0.763 195 L CB -0.317 41.748 42.059 0.010 0.000 0.908 195 L HN 0.234 nan 8.230 nan 0.000 0.437 196 A N 0.362 123.213 122.820 0.051 0.000 2.328 196 A HA 0.615 4.937 4.320 0.002 0.000 0.284 196 A C 0.303 177.922 177.584 0.057 0.000 1.160 196 A CA -0.312 51.751 52.037 0.043 0.000 0.818 196 A CB 0.386 19.403 19.000 0.028 0.000 1.087 196 A HN 0.195 nan 8.150 nan 0.000 0.504 197 A N 2.053 124.898 122.820 0.042 0.000 2.406 197 A HA 0.662 4.983 4.320 0.002 0.000 0.243 197 A C 1.254 178.858 177.584 0.033 0.000 1.082 197 A CA 0.856 52.915 52.037 0.037 0.000 0.786 197 A CB -0.331 18.685 19.000 0.026 0.000 1.029 197 A HN 2.887 nan 8.150 nan 0.000 0.495 198 G N 0.228 109.044 108.800 0.027 0.000 2.475 198 G HA2 -0.155 3.806 3.960 0.002 0.000 0.223 198 G HA3 -0.155 3.806 3.960 0.002 0.000 0.223 198 G C 0.499 175.416 174.900 0.029 0.000 1.201 198 G CA 0.256 45.370 45.100 0.023 0.000 0.962 198 G HN 0.662 nan 8.290 nan 0.000 0.586 199 E N 0.446 120.667 120.200 0.036 0.000 2.209 199 E HA -0.073 4.279 4.350 0.002 0.000 0.196 199 E C 2.844 179.487 176.600 0.071 0.000 0.993 199 E CA 1.809 58.240 56.400 0.052 0.000 0.819 199 E CB -0.674 29.061 29.700 0.058 0.000 0.745 199 E HN 1.009 nan 8.360 nan 0.000 0.477 200 A N 1.003 123.870 122.820 0.078 0.000 2.019 200 A HA -0.168 4.154 4.320 0.002 0.000 0.219 200 A C 1.996 179.709 177.584 0.215 0.000 1.164 200 A CA 1.178 53.283 52.037 0.114 0.000 0.644 200 A CB -0.291 18.764 19.000 0.092 0.000 0.805 200 A HN 0.121 nan 8.150 nan 0.000 0.449 201 R N -1.593 118.988 120.500 0.134 0.000 2.317 201 R HA 0.108 4.449 4.340 0.002 0.000 0.208 201 R C 1.936 178.139 176.300 -0.161 0.000 0.914 201 R CA 0.339 56.447 56.100 0.015 0.000 1.060 201 R CB -0.046 30.230 30.300 -0.041 0.000 1.015 201 R HN 0.387 nan 8.270 nan 0.000 0.498 202 R N 2.097 122.531 120.500 -0.110 0.000 2.133 202 R HA -0.109 4.233 4.340 0.002 0.000 0.247 202 R C -1.010 175.089 176.300 -0.336 0.000 1.151 202 R CA 1.734 57.747 56.100 -0.145 0.000 0.971 202 R CB -1.191 29.121 30.300 0.020 0.000 0.866 202 R HN 0.119 nan 8.270 nan 0.000 0.447 203 P HA -0.097 nan 4.420 nan 0.000 0.218 203 P C 0.821 177.845 177.300 -0.460 0.000 1.148 203 P CA 2.109 64.753 63.100 -0.761 0.000 0.822 203 P CB -0.252 30.996 31.700 -0.753 0.000 0.784 204 T N -3.844 110.436 114.554 -0.457 0.000 3.118 204 T HA -0.005 4.347 4.350 0.002 0.000 0.260 204 T C 1.425 175.860 174.700 -0.442 0.000 1.139 204 T CA 0.387 62.193 62.100 -0.491 0.000 1.085 204 T CB -0.648 67.805 68.868 -0.692 0.000 0.934 204 T HN -0.034 nan 8.240 nan 0.000 0.518 205 L N 0.281 121.306 121.223 -0.329 0.000 2.467 205 L HA 0.484 4.826 4.340 0.002 0.000 0.213 205 L C 2.344 179.134 176.870 -0.133 0.000 1.053 205 L CA 0.872 55.559 54.840 -0.255 0.000 0.847 205 L CB -0.435 41.508 42.059 -0.193 0.000 1.075 205 L HN 0.102 nan 8.230 nan 0.000 0.479 206 S N -0.703 114.897 115.700 -0.168 0.000 2.402 206 S HA -0.159 4.313 4.470 0.002 0.000 0.229 206 S C 1.552 176.079 174.600 -0.122 0.000 1.021 206 S CA 1.593 59.707 58.200 -0.143 0.000 0.974 206 S CB -0.512 62.571 63.200 -0.197 0.000 0.800 206 S HN 0.598 nan 8.310 nan 0.000 0.484 207 W N 2.281 123.444 121.300 -0.229 0.000 2.353 207 W HA -0.088 4.574 4.660 0.003 0.000 0.319 207 W C -0.607 175.939 176.519 0.045 0.000 1.207 207 W CA 0.537 57.667 57.345 -0.358 0.000 1.291 207 W CB -1.247 27.944 29.460 -0.448 0.000 1.159 207 W HN 0.219 nan 8.180 nan 0.000 0.478 208 P HA -0.153 nan 4.420 nan 0.000 0.221 208 P C 0.783 178.382 177.300 0.497 0.000 1.145 208 P CA 1.630 65.099 63.100 0.615 0.000 0.795 208 P CB -0.210 31.835 31.700 0.575 0.000 0.775 209 R N -0.794 119.900 120.500 0.324 0.000 2.275 209 R HA 0.054 4.395 4.340 0.002 0.000 0.199 209 R C 2.211 178.662 176.300 0.251 0.000 0.989 209 R CA 0.531 56.784 56.100 0.256 0.000 1.016 209 R CB -0.087 30.305 30.300 0.154 0.000 0.918 209 R HN 0.181 nan 8.270 nan 0.000 0.473 210 Q N 0.220 120.202 119.800 0.303 0.000 2.402 210 Q HA 0.142 4.484 4.340 0.002 0.000 0.206 210 Q C 0.468 176.809 176.000 0.568 0.000 0.919 210 Q CA 0.234 56.225 55.803 0.313 0.000 0.923 210 Q CB 0.471 29.273 28.738 0.106 0.000 1.048 210 Q HN 0.320 nan 8.270 nan 0.000 0.515 211 I N 4.774 125.771 120.570 0.711 0.000 2.826 211 I HA -0.074 4.097 4.170 0.002 0.000 0.295 211 I C -1.780 174.487 176.117 0.250 0.000 1.213 211 I CA -0.819 60.820 61.300 0.566 0.000 1.436 211 I CB 0.234 38.472 38.000 0.398 0.000 1.348 211 I HN -0.124 nan 8.210 nan 0.000 0.570 212 P HA 0.260 nan 4.420 nan 0.000 0.252 212 P C -0.703 176.546 177.300 -0.085 0.000 1.727 212 P CA 0.293 63.409 63.100 0.028 0.000 1.134 212 P CB -0.272 31.429 31.700 0.002 0.000 1.876 213 I N 0.605 121.085 120.570 -0.150 0.000 2.509 213 I HA 0.504 4.675 4.170 0.002 0.000 0.293 213 I C 0.699 176.646 176.117 -0.285 0.000 1.020 213 I CA -1.359 59.716 61.300 -0.375 0.000 1.088 213 I CB 1.970 39.472 38.000 -0.830 0.000 1.267 213 I HN 0.124 nan 8.210 nan 0.000 0.430 214 A N 4.366 127.022 122.820 -0.273 0.000 2.704 214 A HA -0.096 4.225 4.320 0.002 0.000 0.299 214 A C 1.531 179.098 177.584 -0.030 0.000 1.507 214 A CA 1.097 53.072 52.037 -0.103 0.000 0.776 214 A CB -1.933 17.069 19.000 0.004 0.000 1.027 214 A HN 2.052 nan 8.150 nan 0.000 0.475 215 G N -3.162 105.609 108.800 -0.047 0.000 2.212 215 G HA2 -0.102 3.859 3.960 0.002 0.000 0.266 215 G HA3 -0.102 3.859 3.960 0.002 0.000 0.266 215 G C 0.462 175.366 174.900 0.006 0.000 0.978 215 G CA 1.147 46.236 45.100 -0.018 0.000 0.632 215 G HN 1.941 nan 8.290 nan 0.000 0.537 216 T N 3.158 117.725 114.554 0.022 0.000 2.841 216 T HA 0.623 4.974 4.350 0.002 0.000 0.283 216 T C -2.684 172.062 174.700 0.075 0.000 1.000 216 T CA -0.842 61.291 62.100 0.055 0.000 0.977 216 T CB 3.262 72.178 68.868 0.080 0.000 0.979 216 T HN 0.123 nan 8.240 nan 0.000 0.446 217 P HA 0.304 nan 4.420 nan 0.000 0.279 217 P C 0.436 177.768 177.300 0.053 0.000 1.239 217 P CA -0.356 62.792 63.100 0.080 0.000 0.789 217 P CB 1.090 32.850 31.700 0.100 0.000 0.933 218 A N 4.015 126.858 122.820 0.039 0.000 1.908 218 A HA -0.226 4.096 4.320 0.002 0.000 0.218 218 A C 1.801 179.394 177.584 0.014 0.000 1.181 218 A CA 2.166 54.215 52.037 0.020 0.000 0.627 218 A CB -1.270 17.741 19.000 0.018 0.000 0.818 218 A HN 0.659 nan 8.150 nan 0.000 0.445 219 D N 0.036 120.455 120.400 0.031 0.000 2.117 219 D HA -0.116 4.526 4.640 0.002 0.000 0.198 219 D C 1.794 178.101 176.300 0.011 0.000 0.982 219 D CA 1.720 55.739 54.000 0.032 0.000 0.828 219 D CB -0.986 39.852 40.800 0.062 0.000 0.967 219 D HN 0.254 nan 8.370 nan 0.000 0.464 220 V N 0.823 120.748 119.914 0.019 0.000 2.427 220 V HA -0.184 3.937 4.120 0.002 0.000 0.248 220 V C 2.954 179.007 176.094 -0.070 0.000 1.051 220 V CA 1.078 63.355 62.300 -0.037 0.000 1.048 220 V CB -0.297 31.569 31.823 0.071 0.000 0.666 220 V HN 0.099 nan 8.190 nan 0.000 0.456 221 V N 0.590 120.482 119.914 -0.037 0.000 2.287 221 V HA -0.306 3.816 4.120 0.002 0.000 0.248 221 V C 2.755 178.782 176.094 -0.111 0.000 1.053 221 V CA 2.243 64.501 62.300 -0.070 0.000 1.027 221 V CB -1.214 30.583 31.823 -0.044 0.000 0.646 221 V HN 0.565 nan 8.190 nan 0.000 0.447 222 A N -0.297 122.475 122.820 -0.079 0.000 1.902 222 A HA -0.190 4.132 4.320 0.002 0.000 0.217 222 A C 2.193 179.705 177.584 -0.120 0.000 1.181 222 A CA 2.033 54.022 52.037 -0.081 0.000 0.623 222 A CB -0.570 18.406 19.000 -0.040 0.000 0.818 222 A HN 0.519 nan 8.150 nan 0.000 0.443 223 I N -0.407 120.086 120.570 -0.129 0.000 2.179 223 I HA -0.278 3.893 4.170 0.002 0.000 0.242 223 I C 2.961 178.815 176.117 -0.439 0.000 1.088 223 I CA 1.100 62.310 61.300 -0.150 0.000 1.357 223 I CB -0.310 37.634 38.000 -0.093 0.000 1.051 223 I HN 0.367 nan 8.210 nan 0.000 0.409 224 A N 0.602 123.077 122.820 -0.576 0.000 1.930 224 A HA -0.233 4.089 4.320 0.002 0.000 0.217 224 A C 2.322 179.512 177.584 -0.657 0.000 1.175 224 A CA 1.699 53.111 52.037 -1.043 0.000 0.627 224 A CB -0.523 18.199 19.000 -0.464 0.000 0.815 224 A HN 0.301 nan 8.150 nan 0.000 0.443 225 R N 0.133 120.433 120.500 -0.334 0.000 2.096 225 R HA -0.130 4.212 4.340 0.002 0.000 0.235 225 R C 1.796 178.011 176.300 -0.142 0.000 1.127 225 R CA 1.750 57.734 56.100 -0.194 0.000 0.968 225 R CB -0.438 29.782 30.300 -0.132 0.000 0.861 225 R HN 0.538 nan 8.270 nan 0.000 0.440 226 D N -0.751 119.552 120.400 -0.163 0.000 2.078 226 D HA -0.185 4.457 4.640 0.002 0.000 0.193 226 D C 1.738 178.093 176.300 0.092 0.000 0.990 226 D CA 1.713 55.688 54.000 -0.043 0.000 0.827 226 D CB -0.172 40.607 40.800 -0.035 0.000 0.975 226 D HN 0.417 nan 8.370 nan 0.000 0.451 227 Y N 0.020 120.399 120.300 0.132 0.000 2.457 227 Y HA 0.352 4.904 4.550 0.003 0.000 0.292 227 Y C 2.032 177.984 175.900 0.086 0.000 1.125 227 Y CA 0.425 58.652 58.100 0.211 0.000 1.254 227 Y CB -1.051 37.570 38.460 0.269 0.000 1.012 227 Y HN -0.077 nan 8.280 nan 0.000 0.555 228 A N 1.619 124.627 122.820 0.313 0.000 1.873 228 A HA 0.046 4.367 4.320 0.002 0.000 0.215 228 A C 2.535 180.248 177.584 0.215 0.000 1.186 228 A CA 1.577 53.822 52.037 0.346 0.000 0.616 228 A CB -1.524 17.655 19.000 0.299 0.000 0.823 228 A HN 0.551 nan 8.150 nan 0.000 0.442 229 G N -1.223 107.658 108.800 0.135 0.000 2.459 229 G HA2 -0.305 3.656 3.960 0.002 0.000 0.217 229 G HA3 -0.305 3.656 3.960 0.002 0.000 0.217 229 G C 1.397 176.314 174.900 0.027 0.000 1.183 229 G CA 1.227 46.382 45.100 0.091 0.000 0.776 229 G HN 0.696 nan 8.290 nan 0.000 0.552 230 W N 1.348 122.590 121.300 -0.096 0.000 2.333 230 W HA -0.032 4.629 4.660 0.002 0.000 0.316 230 W C 2.358 178.697 176.519 -0.300 0.000 1.215 230 W CA 1.498 58.755 57.345 -0.147 0.000 1.278 230 W CB -0.675 28.727 29.460 -0.097 0.000 1.154 230 W HN 0.133 nan 8.180 nan 0.000 0.486 231 L N 1.195 121.899 121.223 -0.866 0.000 2.079 231 L HA -0.296 4.045 4.340 0.002 0.000 0.210 231 L C 2.885 178.861 176.870 -1.490 0.000 1.081 231 L CA 2.034 55.935 54.840 -1.566 0.000 0.752 231 L CB -1.242 39.601 42.059 -2.027 0.000 0.896 231 L HN 0.203 nan 8.230 nan 0.000 0.433 232 S N -1.270 113.779 115.700 -1.085 0.000 2.442 232 S HA -0.139 4.333 4.470 0.002 0.000 0.236 232 S C 1.626 175.998 174.600 -0.378 0.000 1.007 232 S CA 1.032 58.845 58.200 -0.645 0.000 0.965 232 S CB -0.103 63.039 63.200 -0.096 0.000 0.773 232 S HN 0.414 nan 8.310 nan 0.000 0.504 233 E N 0.872 120.825 120.200 -0.412 0.000 2.490 233 E HA 0.285 4.636 4.350 0.002 0.000 0.209 233 E C 0.300 176.700 176.600 -0.333 0.000 0.971 233 E CA 0.033 56.269 56.400 -0.274 0.000 0.988 233 E CB 0.561 30.168 29.700 -0.155 0.000 1.029 233 E HN 0.464 nan 8.360 nan 0.000 0.496 234 S N 2.966 118.311 115.700 -0.591 0.000 2.549 234 S HA 0.114 4.585 4.470 0.002 0.000 0.279 234 S C -1.612 172.788 174.600 -0.334 0.000 1.321 234 S CA -1.070 56.796 58.200 -0.556 0.000 1.054 234 S CB 0.908 63.439 63.200 -1.116 0.000 0.899 234 S HN -0.087 nan 8.310 nan 0.000 0.497 235 P HA 0.157 nan 4.420 nan 0.000 0.249 235 P C 0.156 177.421 177.300 -0.060 0.000 1.229 235 P CA 0.020 63.065 63.100 -0.093 0.000 0.788 235 P CB -0.080 31.592 31.700 -0.046 0.000 1.072 236 I N 2.412 122.932 120.570 -0.083 0.000 2.741 236 I HA -0.001 4.170 4.170 0.002 0.000 0.288 236 I C -1.891 174.248 176.117 0.036 0.000 1.192 236 I CA -1.688 59.608 61.300 -0.007 0.000 1.426 236 I CB -0.231 37.779 38.000 0.016 0.000 1.367 236 I HN -0.162 nan 8.210 nan 0.000 0.563 237 P HA 0.062 nan 4.420 nan 0.000 0.265 237 P C -1.224 176.313 177.300 0.395 0.000 1.193 237 P CA 0.217 63.451 63.100 0.223 0.000 0.765 237 P CB 0.416 32.226 31.700 0.182 0.000 0.823 238 K N 2.138 122.745 120.400 0.346 0.000 2.464 238 K HA 0.584 4.905 4.320 0.002 0.000 0.253 238 K C -1.337 175.210 176.600 -0.088 0.000 0.933 238 K CA -0.999 55.441 56.287 0.255 0.000 0.801 238 K CB 1.996 34.658 32.500 0.270 0.000 1.271 238 K HN 0.199 nan 8.250 nan 0.000 0.430 239 L N 3.617 124.574 121.223 -0.443 0.000 2.316 239 L HA 0.438 4.779 4.340 0.002 0.000 0.280 239 L C -1.450 175.285 176.870 -0.226 0.000 1.006 239 L CA -0.507 53.969 54.840 -0.605 0.000 0.836 239 L CB 0.625 41.958 42.059 -1.211 0.000 1.221 239 L HN 0.570 nan 8.230 nan 0.000 0.418 240 F N 6.940 126.663 119.950 -0.379 0.000 2.350 240 F HA 0.502 5.031 4.527 0.004 0.000 0.365 240 F C -0.347 175.161 175.800 -0.488 0.000 1.122 240 F CA -1.366 56.221 58.000 -0.688 0.000 1.139 240 F CB 0.302 38.981 39.000 -0.534 0.000 1.220 240 F HN 0.381 nan 8.300 nan 0.000 0.499 241 I N 6.210 126.404 120.570 -0.627 0.000 2.269 241 I HA 0.074 4.246 4.170 0.002 0.000 0.293 241 I C 0.162 175.776 176.117 -0.838 0.000 1.106 241 I CA -0.375 60.562 61.300 -0.606 0.000 1.248 241 I CB -0.136 37.678 38.000 -0.311 0.000 1.444 241 I HN 0.539 nan 8.210 nan 0.000 0.497 242 N N 5.138 123.114 118.700 -1.207 0.000 2.503 242 N HA 0.542 5.284 4.740 0.002 0.000 0.267 242 N C -0.697 174.546 175.510 -0.446 0.000 1.214 242 N CA -0.165 52.284 53.050 -1.003 0.000 0.959 242 N CB 1.127 39.014 38.487 -1.001 0.000 1.142 242 N HN 0.613 nan 8.380 nan 0.000 0.455 243 A N 1.416 124.079 122.820 -0.262 0.000 2.380 243 A HA 0.616 4.938 4.320 0.002 0.000 0.315 243 A C -1.061 176.453 177.584 -0.116 0.000 1.101 243 A CA -0.521 51.416 52.037 -0.167 0.000 0.771 243 A CB 1.275 20.201 19.000 -0.124 0.000 1.287 243 A HN 0.673 nan 8.150 nan 0.000 0.436 244 E N 1.448 121.590 120.200 -0.096 0.000 2.241 244 E HA 0.489 4.841 4.350 0.002 0.000 0.263 244 E C -2.168 174.400 176.600 -0.053 0.000 0.882 244 E CA -1.948 54.410 56.400 -0.070 0.000 0.769 244 E CB 2.024 31.681 29.700 -0.071 0.000 1.185 244 E HN 0.304 nan 8.360 nan 0.000 0.415 245 P HA 0.085 nan 4.420 nan 0.000 0.237 245 P C 0.491 177.763 177.300 -0.046 0.000 1.178 245 P CA 0.806 63.882 63.100 -0.041 0.000 0.766 245 P CB 0.203 31.883 31.700 -0.033 0.000 0.876 246 G N -0.003 108.768 108.800 -0.047 0.000 2.806 246 G HA2 -0.029 3.932 3.960 0.002 0.000 0.236 246 G HA3 -0.029 3.932 3.960 0.002 0.000 0.236 246 G C 0.350 175.223 174.900 -0.046 0.000 1.387 246 G CA -0.067 45.008 45.100 -0.043 0.000 0.884 246 G HN 0.542 nan 8.290 nan 0.000 0.560 247 A N -2.421 120.368 122.820 -0.053 0.000 1.702 247 A HA 0.639 4.961 4.320 0.002 0.000 0.151 247 A C 1.970 179.438 177.584 -0.194 0.000 1.611 247 A CA 1.341 53.302 52.037 -0.127 0.000 1.414 247 A CB -0.591 18.331 19.000 -0.130 0.000 1.183 247 A HN 1.908 nan 8.150 nan 0.000 0.917 248 L N 1.234 122.356 121.223 -0.170 0.000 2.005 248 L HA 0.100 4.441 4.340 0.002 0.000 0.207 248 L C 0.819 177.635 176.870 -0.091 0.000 1.072 248 L CA 2.449 57.165 54.840 -0.206 0.000 0.744 248 L CB -0.477 41.493 42.059 -0.148 0.000 0.895 248 L HN 0.329 nan 8.230 nan 0.000 0.433 249 T N 1.532 116.086 114.554 0.000 0.000 3.579 249 T HA 0.384 4.736 4.350 0.002 0.000 0.328 249 T C -0.020 174.705 174.700 0.041 0.000 1.481 249 T CA 0.338 62.465 62.100 0.046 0.000 1.144 249 T CB -0.815 68.142 68.868 0.149 0.000 1.205 249 T HN 0.591 nan 8.240 nan 0.000 0.812 250 T N -1.508 113.041 114.554 -0.009 0.000 2.754 250 T HA 0.801 5.152 4.350 0.002 0.000 0.296 250 T C 0.724 175.411 174.700 -0.022 0.000 1.205 250 T CA -0.264 61.829 62.100 -0.012 0.000 1.009 250 T CB 1.423 70.267 68.868 -0.040 0.000 1.368 250 T HN 0.571 nan 8.240 nan 0.000 0.509 251 G N 1.093 109.881 108.800 -0.019 0.000 2.614 251 G HA2 -0.333 3.629 3.960 0.002 0.000 0.303 251 G HA3 -0.333 3.629 3.960 0.002 0.000 0.303 251 G C 0.901 175.794 174.900 -0.011 0.000 1.270 251 G CA 0.817 45.907 45.100 -0.017 0.000 0.988 251 G HN 0.966 nan 8.290 nan 0.000 0.551 252 R N -0.652 119.843 120.500 -0.010 0.000 2.083 252 R HA -0.073 4.269 4.340 0.002 0.000 0.237 252 R C 2.863 179.174 176.300 0.018 0.000 1.137 252 R CA 1.930 58.029 56.100 -0.002 0.000 0.951 252 R CB -0.400 29.890 30.300 -0.016 0.000 0.851 252 R HN 0.594 nan 8.270 nan 0.000 0.434 253 M N 0.406 120.011 119.600 0.008 0.000 2.117 253 M HA -0.220 4.262 4.480 0.002 0.000 0.262 253 M C 2.398 178.688 176.300 -0.017 0.000 1.065 253 M CA 1.647 56.972 55.300 0.043 0.000 1.114 253 M CB -0.097 32.518 32.600 0.026 0.000 1.361 253 M HN -0.014 nan 8.290 nan 0.000 0.408 254 R N 0.094 120.563 120.500 -0.052 0.000 2.115 254 R HA -0.152 4.189 4.340 0.002 0.000 0.230 254 R C 1.520 177.737 176.300 -0.139 0.000 1.111 254 R CA 1.929 57.963 56.100 -0.110 0.000 0.976 254 R CB -0.210 30.098 30.300 0.012 0.000 0.870 254 R HN 0.416 nan 8.270 nan 0.000 0.445 255 D N 0.053 120.421 120.400 -0.053 0.000 2.097 255 D HA -0.205 4.437 4.640 0.002 0.000 0.195 255 D C 1.562 177.826 176.300 -0.060 0.000 0.989 255 D CA 1.158 55.135 54.000 -0.037 0.000 0.827 255 D CB -0.315 40.490 40.800 0.009 0.000 0.966 255 D HN 0.196 nan 8.370 nan 0.000 0.456 256 F N 1.687 121.519 119.950 -0.197 0.000 2.102 256 F HA -0.208 4.321 4.527 0.002 0.000 0.298 256 F C 2.329 177.811 175.800 -0.530 0.000 1.105 256 F CA 0.891 58.761 58.000 -0.217 0.000 1.239 256 F CB -0.650 38.273 39.000 -0.127 0.000 0.991 256 F HN -0.017 nan 8.300 nan 0.000 0.474 257 C N 0.666 119.334 119.300 -1.053 0.000 2.413 257 C HA -0.143 4.318 4.460 0.002 0.000 0.277 257 C C 2.658 176.926 174.990 -1.205 0.000 1.265 257 C CA 0.973 58.890 59.018 -1.835 0.000 1.752 257 C CB -1.500 25.300 27.740 -1.567 0.000 1.998 257 C HN 0.399 nan 8.230 nan 0.000 0.489 258 R N -0.190 119.914 120.500 -0.660 0.000 2.357 258 R HA -0.075 4.267 4.340 0.002 0.000 0.202 258 R C 1.854 178.015 176.300 -0.231 0.000 1.047 258 R CA 0.873 56.782 56.100 -0.319 0.000 1.034 258 R CB -0.248 29.964 30.300 -0.146 0.000 0.875 258 R HN 0.448 nan 8.270 nan 0.000 0.473 259 T N -0.522 113.840 114.554 -0.319 0.000 3.044 259 T HA 0.025 4.376 4.350 0.002 0.000 0.250 259 T C -0.362 174.338 174.700 0.000 0.000 1.081 259 T CA -0.095 61.929 62.100 -0.127 0.000 1.040 259 T CB 0.114 68.937 68.868 -0.075 0.000 0.962 259 T HN 0.142 nan 8.240 nan 0.000 0.506 260 W N 3.217 124.314 121.300 -0.337 0.000 2.181 260 W HA 0.338 4.999 4.660 0.002 0.000 0.335 260 W C -2.544 173.853 176.519 -0.203 0.000 1.310 260 W CA -3.474 53.674 57.345 -0.328 0.000 1.226 260 W CB -0.763 28.447 29.460 -0.416 0.000 1.155 260 W HN 0.055 nan 8.180 nan 0.000 0.565 261 P HA -0.025 nan 4.420 nan 0.000 0.272 261 P C 0.302 177.603 177.300 0.002 0.000 1.223 261 P CA 0.018 63.106 63.100 -0.020 0.000 0.784 261 P CB 0.489 32.139 31.700 -0.084 0.000 0.923 262 N N 0.204 118.914 118.700 0.016 0.000 2.714 262 N HA -0.233 4.508 4.740 0.002 0.000 0.252 262 N C -0.680 174.880 175.510 0.084 0.000 1.014 262 N CA 0.838 53.914 53.050 0.043 0.000 0.735 262 N CB -1.020 37.485 38.487 0.030 0.000 0.924 262 N HN 0.631 nan 8.380 nan 0.000 0.540 263 Q N -0.081 119.768 119.800 0.081 0.000 2.337 263 Q HA 0.471 4.812 4.340 0.002 0.000 0.266 263 Q C -0.940 175.098 176.000 0.064 0.000 1.023 263 Q CA -0.544 55.319 55.803 0.100 0.000 0.829 263 Q CB 1.182 30.004 28.738 0.139 0.000 1.306 263 Q HN 0.213 nan 8.270 nan 0.000 0.449 264 T N 3.156 117.726 114.554 0.026 0.000 2.867 264 T HA 0.351 4.703 4.350 0.002 0.000 0.282 264 T C -1.076 173.591 174.700 -0.055 0.000 1.000 264 T CA -0.444 61.645 62.100 -0.018 0.000 1.042 264 T CB 1.237 70.081 68.868 -0.040 0.000 0.973 264 T HN 0.613 nan 8.240 nan 0.000 0.465 265 E N 2.396 122.557 120.200 -0.064 0.000 2.317 265 E HA 0.627 4.978 4.350 0.002 0.000 0.270 265 E C -1.540 174.946 176.600 -0.190 0.000 0.885 265 E CA -0.757 55.562 56.400 -0.134 0.000 0.760 265 E CB 1.485 31.156 29.700 -0.049 0.000 1.227 265 E HN 0.310 nan 8.360 nan 0.000 0.434 266 I N 2.466 122.856 120.570 -0.299 0.000 2.913 266 I HA 0.324 4.495 4.170 0.002 0.000 0.302 266 I C -1.190 174.730 176.117 -0.328 0.000 1.246 266 I CA -0.343 60.807 61.300 -0.249 0.000 1.010 266 I CB 2.204 40.084 38.000 -0.201 0.000 1.259 266 I HN 0.757 nan 8.210 nan 0.000 0.434 267 T N 4.340 118.747 114.554 -0.245 0.000 2.829 267 T HA 0.785 5.136 4.350 0.002 0.000 0.280 267 T C -0.440 174.149 174.700 -0.186 0.000 0.999 267 T CA -0.590 61.359 62.100 -0.251 0.000 0.983 267 T CB 1.576 70.325 68.868 -0.198 0.000 0.968 267 T HN 0.628 nan 8.240 nan 0.000 0.446 268 V N 0.103 119.907 119.914 -0.184 0.000 3.001 268 V HA 0.981 5.103 4.120 0.002 0.000 0.314 268 V C 0.239 176.265 176.094 -0.113 0.000 1.099 268 V CA -1.438 60.780 62.300 -0.136 0.000 0.989 268 V CB 1.165 32.906 31.823 -0.135 0.000 1.040 268 V HN 1.366 nan 8.190 nan 0.000 0.434 269 A N 1.390 124.159 122.820 -0.085 0.000 2.477 269 A HA 0.832 5.153 4.320 0.002 0.000 0.246 269 A C 0.738 178.285 177.584 -0.061 0.000 1.078 269 A CA 0.658 52.656 52.037 -0.065 0.000 0.770 269 A CB -0.392 18.580 19.000 -0.047 0.000 1.011 269 A HN 2.717 nan 8.150 nan 0.000 0.494 270 G N -0.846 107.923 108.800 -0.051 0.000 2.350 270 G HA2 0.606 4.567 3.960 0.002 0.000 0.305 270 G HA3 0.606 4.567 3.960 0.002 0.000 0.305 270 G C -0.147 174.736 174.900 -0.028 0.000 1.479 270 G CA -0.002 45.076 45.100 -0.037 0.000 0.949 270 G HN 1.529 nan 8.290 nan 0.000 0.651 271 A N -0.485 122.337 122.820 0.004 0.000 2.686 271 A HA 0.593 4.914 4.320 0.002 0.000 0.221 271 A C 1.566 179.167 177.584 0.030 0.000 2.249 271 A CA 1.892 53.941 52.037 0.019 0.000 1.005 271 A CB -0.505 18.531 19.000 0.059 0.000 1.391 271 A HN 1.345 nan 8.150 nan 0.000 0.536 272 H N -1.665 117.362 119.070 -0.072 0.000 2.367 272 H HA 0.325 4.883 4.556 0.003 0.000 0.304 272 H C -0.196 175.000 175.328 -0.220 0.000 1.023 272 H CA 0.288 56.213 56.048 -0.205 0.000 1.342 272 H CB -0.058 29.453 29.762 -0.418 0.000 1.486 272 H HN 0.300 nan 8.280 nan 0.000 0.596 273 F N 3.218 123.142 119.950 -0.043 0.000 2.733 273 F HA 0.158 4.686 4.527 0.002 0.000 0.344 273 F C 1.562 177.227 175.800 -0.226 0.000 1.179 273 F CA -0.219 57.662 58.000 -0.199 0.000 1.316 273 F CB -0.563 38.401 39.000 -0.059 0.000 1.577 273 F HN 0.300 nan 8.300 nan 0.000 0.591 274 I N -2.273 118.183 120.570 -0.190 0.000 2.657 274 I HA -0.272 3.900 4.170 0.002 0.000 0.261 274 I C 1.560 177.591 176.117 -0.144 0.000 1.212 274 I CA 1.221 62.436 61.300 -0.142 0.000 1.453 274 I CB -0.364 37.539 38.000 -0.162 0.000 1.092 274 I HN 0.245 nan 8.210 nan 0.000 0.452 275 Q N 1.361 121.027 119.800 -0.222 0.000 2.291 275 Q HA -0.118 4.223 4.340 0.002 0.000 0.206 275 Q C 1.863 177.806 176.000 -0.095 0.000 0.976 275 Q CA 1.225 56.917 55.803 -0.185 0.000 0.875 275 Q CB -0.179 28.353 28.738 -0.344 0.000 0.927 275 Q HN 0.576 nan 8.270 nan 0.000 0.450 276 E N -0.108 120.063 120.200 -0.048 0.000 2.385 276 E HA -0.044 4.307 4.350 0.002 0.000 0.194 276 E C 0.644 177.242 176.600 -0.002 0.000 1.013 276 E CA 0.497 56.897 56.400 -0.001 0.000 0.866 276 E CB 0.331 30.060 29.700 0.048 0.000 0.832 276 E HN 0.433 nan 8.360 nan 0.000 0.500 277 D N -0.168 120.221 120.400 -0.017 0.000 2.323 277 D HA 0.069 4.711 4.640 0.002 0.000 0.218 277 D C 0.213 176.494 176.300 -0.031 0.000 0.973 277 D CA 0.489 54.479 54.000 -0.017 0.000 0.890 277 D CB 0.574 41.365 40.800 -0.015 0.000 1.011 277 D HN -0.119 nan 8.370 nan 0.000 0.499 278 S N 1.573 117.243 115.700 -0.050 0.000 2.526 278 S HA 0.162 4.634 4.470 0.002 0.000 0.220 278 S C -1.852 172.707 174.600 -0.068 0.000 1.159 278 S CA -0.806 57.359 58.200 -0.058 0.000 1.196 278 S CB 1.814 64.969 63.200 -0.074 0.000 1.225 278 S HN 0.089 nan 8.310 nan 0.000 0.432 279 P HA -0.159 nan 4.420 nan 0.000 0.216 279 P C 0.552 177.787 177.300 -0.108 0.000 1.153 279 P CA 1.439 64.508 63.100 -0.051 0.000 0.858 279 P CB 0.165 31.853 31.700 -0.020 0.000 0.789 280 D N -0.036 120.311 120.400 -0.088 0.000 2.183 280 D HA -0.102 4.539 4.640 0.002 0.000 0.203 280 D C 1.961 178.109 176.300 -0.253 0.000 0.969 280 D CA 0.963 54.854 54.000 -0.181 0.000 0.842 280 D CB -0.306 40.515 40.800 0.034 0.000 0.957 280 D HN 0.283 nan 8.370 nan 0.000 0.484 281 E N 0.663 120.777 120.200 -0.144 0.000 2.072 281 E HA -0.061 4.291 4.350 0.002 0.000 0.191 281 E C 2.252 178.761 176.600 -0.152 0.000 0.985 281 E CA 0.424 56.749 56.400 -0.125 0.000 0.801 281 E CB -0.063 29.580 29.700 -0.096 0.000 0.750 281 E HN 0.258 nan 8.360 nan 0.000 0.452 282 I N 0.580 121.062 120.570 -0.147 0.000 2.142 282 I HA -0.201 3.970 4.170 0.002 0.000 0.240 282 I C 2.425 178.463 176.117 -0.131 0.000 1.078 282 I CA 1.351 62.585 61.300 -0.110 0.000 1.343 282 I CB -0.615 37.355 38.000 -0.051 0.000 1.046 282 I HN 0.216 nan 8.210 nan 0.000 0.405 283 G N 0.399 109.038 108.800 -0.269 0.000 2.491 283 G HA2 -0.315 3.647 3.960 0.002 0.000 0.218 283 G HA3 -0.315 3.647 3.960 0.002 0.000 0.218 283 G C 1.842 176.551 174.900 -0.319 0.000 1.180 283 G CA 0.979 45.843 45.100 -0.392 0.000 0.774 283 G HN 0.507 nan 8.290 nan 0.000 0.562 284 A N 1.208 123.776 122.820 -0.419 0.000 1.892 284 A HA 0.139 4.460 4.320 0.002 0.000 0.218 284 A C 2.860 180.431 177.584 -0.021 0.000 1.188 284 A CA 2.702 54.684 52.037 -0.092 0.000 0.631 284 A CB -0.956 18.009 19.000 -0.059 0.000 0.822 284 A HN 0.953 nan 8.150 nan 0.000 0.447 285 A N -0.171 122.616 122.820 -0.054 0.000 1.902 285 A HA -0.100 4.221 4.320 0.002 0.000 0.217 285 A C 2.141 179.747 177.584 0.036 0.000 1.181 285 A CA 1.613 53.634 52.037 -0.026 0.000 0.623 285 A CB -0.640 18.311 19.000 -0.082 0.000 0.818 285 A HN 0.526 nan 8.150 nan 0.000 0.443 286 I N -0.264 120.332 120.570 0.042 0.000 2.179 286 I HA -0.260 3.911 4.170 0.002 0.000 0.242 286 I C 2.974 179.191 176.117 0.167 0.000 1.088 286 I CA 1.048 62.423 61.300 0.125 0.000 1.357 286 I CB -0.419 37.646 38.000 0.108 0.000 1.051 286 I HN 0.344 nan 8.210 nan 0.000 0.409 287 A N 0.858 123.754 122.820 0.127 0.000 1.940 287 A HA -0.188 4.133 4.320 0.002 0.000 0.219 287 A C 2.542 180.188 177.584 0.103 0.000 1.176 287 A CA 2.001 54.109 52.037 0.119 0.000 0.631 287 A CB -0.833 18.248 19.000 0.135 0.000 0.814 287 A HN 0.447 nan 8.150 nan 0.000 0.446 288 A N -1.181 121.705 122.820 0.109 0.000 1.898 288 A HA -0.001 4.320 4.320 0.002 0.000 0.216 288 A C 2.019 179.693 177.584 0.150 0.000 1.181 288 A CA 1.586 53.684 52.037 0.101 0.000 0.620 288 A CB -0.720 18.329 19.000 0.082 0.000 0.819 288 A HN 0.661 nan 8.150 nan 0.000 0.442 289 F N 0.939 120.889 119.950 -0.000 0.000 2.095 289 F HA -0.173 4.354 4.527 0.001 0.000 0.298 289 F C 2.261 178.060 175.800 -0.002 0.000 1.104 289 F CA 1.940 59.940 58.000 -0.001 0.000 1.232 289 F CB -0.595 38.403 39.000 -0.004 0.000 0.987 289 F HN 0.028 nan 8.300 nan 0.000 0.475 290 V N 1.041 120.928 119.914 -0.045 0.000 2.358 290 V HA -0.268 3.854 4.120 0.002 0.000 0.246 290 V C 2.591 178.613 176.094 -0.119 0.000 1.047 290 V CA 2.085 64.280 62.300 -0.175 0.000 1.035 290 V CB -0.645 31.140 31.823 -0.064 0.000 0.658 290 V HN 0.273 nan 8.190 nan 0.000 0.452 291 R N -0.127 120.351 120.500 -0.037 0.000 2.083 291 R HA -0.150 4.192 4.340 0.002 0.000 0.237 291 R C 2.504 178.779 176.300 -0.042 0.000 1.137 291 R CA 1.574 57.660 56.100 -0.024 0.000 0.951 291 R CB -0.386 29.920 30.300 0.009 0.000 0.851 291 R HN 0.479 nan 8.270 nan 0.000 0.434 292 R N 0.476 120.951 120.500 -0.041 0.000 2.152 292 R HA -0.064 4.277 4.340 0.002 0.000 0.232 292 R C 2.239 178.483 176.300 -0.094 0.000 1.117 292 R CA 0.966 57.041 56.100 -0.042 0.000 0.981 292 R CB -0.213 30.087 30.300 0.000 0.000 0.870 292 R HN 0.244 nan 8.270 nan 0.000 0.451 293 L N -0.106 121.007 121.223 -0.183 0.000 2.313 293 L HA -0.029 4.313 4.340 0.002 0.000 0.214 293 L C 0.766 177.558 176.870 -0.130 0.000 1.119 293 L CA 0.928 55.641 54.840 -0.211 0.000 0.809 293 L CB 0.093 41.922 42.059 -0.383 0.000 0.933 293 L HN -0.006 nan 8.230 nan 0.000 0.449 294 R N 0.030 120.468 120.500 -0.103 0.000 2.651 294 R HA 0.283 4.624 4.340 0.002 0.000 0.282 294 R C -2.419 173.856 176.300 -0.041 0.000 1.565 294 R CA -1.598 54.463 56.100 -0.066 0.000 1.661 294 R CB 0.543 30.805 30.300 -0.063 0.000 1.189 294 R HN -0.067 nan 8.270 nan 0.000 0.621 295 P HA 0.194 nan 4.420 nan 0.000 0.267 295 P C -0.605 176.686 177.300 -0.015 0.000 1.205 295 P CA 0.216 63.304 63.100 -0.021 0.000 0.765 295 P CB 1.249 32.938 31.700 -0.018 0.000 0.828 296 A N 0.000 122.814 122.820 -0.009 0.000 2.254 296 A HA 0.000 4.321 4.320 0.002 0.000 0.244 296 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 296 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 296 A HN 0.000 nan 8.150 nan 0.000 0.486