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 3cyj_1_B DATA FIRST_RESID 4 DATA SEQUENCE PRVERLEVSA YTVPTDYPES DGTLQWDSTT MILVEAHGGG RKGLGYTYGD DATA SEQUENCE VSVGRFVESK LAGVAEGSDA LSPPAVWARM QAAIRNAGRP GVGAMAVSAV DATA SEQUENCE DIALWDLKAR LLGLPLADAL PRFHAEVPVY GSGGFTSYPL RRLQEQLGGW DATA SEQUENCE AAAGIPRVKM KVGREPEKDP ERVRAAREAI GESVELMVDA NGAYTRKQAL DATA SEQUENCE YWAGAFAREA GISYLEEPVS SEDREGLRLL RDRGPGGVAI AAGEYEWTLP DATA SEQUENCE QLHDLAGCVD ILQADVTRCG GITGLLRVDG ICRGHQIPFS AHCAPAVSAH DATA SEQUENCE ACCAVESLLH LEYFHDHARV ERLLFDGTLD PEGGSLRPDP DRPGLGLELK DATA SEQUENCE RSEAGKYAA 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.293 177.300 -0.012 0.000 1.155 4 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 4 P CB 0.000 31.695 31.700 -0.008 0.000 0.726 5 R N 0.280 120.777 120.500 -0.005 0.000 2.832 5 R HA 0.635 4.975 4.340 -0.000 0.000 0.271 5 R C -0.480 175.823 176.300 0.004 0.000 0.996 5 R CA -0.988 55.109 56.100 -0.005 0.000 0.977 5 R CB 2.190 32.489 30.300 -0.001 0.000 1.168 5 R HN 0.256 nan 8.270 nan 0.000 0.482 6 V N 2.838 122.754 119.914 0.003 0.000 2.446 6 V HA 0.066 4.186 4.120 -0.000 0.000 0.276 6 V C 1.668 177.779 176.094 0.028 0.000 1.030 6 V CA 0.820 63.132 62.300 0.018 0.000 1.033 6 V CB 0.647 32.478 31.823 0.013 0.000 0.993 6 V HN 1.014 nan 8.190 nan 0.000 0.477 7 E N 5.661 125.889 120.200 0.048 0.000 2.075 7 E HA 0.126 4.476 4.350 -0.000 0.000 0.190 7 E C 0.953 177.573 176.600 0.035 0.000 0.969 7 E CA 1.015 57.437 56.400 0.037 0.000 0.815 7 E CB 0.285 30.008 29.700 0.038 0.000 0.776 7 E HN 0.847 nan 8.360 nan 0.000 0.457 8 R N -1.589 118.953 120.500 0.071 0.000 2.634 8 R HA 0.597 4.937 4.340 -0.000 0.000 0.263 8 R C -1.577 174.807 176.300 0.139 0.000 1.060 8 R CA -0.738 55.401 56.100 0.064 0.000 0.898 8 R CB 0.634 30.933 30.300 -0.003 0.000 1.253 8 R HN 0.119 nan 8.270 nan 0.000 0.461 9 L N 2.159 123.442 121.223 0.101 0.000 2.295 9 L HA 0.485 4.825 4.340 -0.000 0.000 0.285 9 L C -0.177 176.763 176.870 0.116 0.000 1.035 9 L CA -0.909 54.004 54.840 0.122 0.000 0.806 9 L CB 1.667 43.777 42.059 0.083 0.000 1.214 9 L HN 0.588 nan 8.230 nan 0.000 0.426 10 E N 3.241 123.536 120.200 0.159 0.000 2.171 10 E HA 0.473 4.822 4.350 -0.000 0.000 0.271 10 E C -0.990 175.679 176.600 0.116 0.000 0.916 10 E CA -0.550 55.926 56.400 0.127 0.000 0.774 10 E CB 2.961 32.754 29.700 0.155 0.000 1.128 10 E HN 0.185 nan 8.360 nan 0.000 0.403 11 V N 1.880 121.843 119.914 0.082 0.000 2.581 11 V HA 0.604 4.724 4.120 -0.000 0.000 0.303 11 V C 0.088 176.205 176.094 0.038 0.000 1.041 11 V CA -0.597 61.745 62.300 0.071 0.000 0.907 11 V CB 1.636 33.493 31.823 0.057 0.000 0.994 11 V HN 0.824 nan 8.190 nan 0.000 0.442 12 S N 2.288 117.999 115.700 0.018 0.000 2.596 12 S HA 0.969 5.439 4.470 -0.000 0.000 0.270 12 S C -0.781 173.655 174.600 -0.273 0.000 1.155 12 S CA -0.360 57.767 58.200 -0.122 0.000 0.827 12 S CB 2.182 65.330 63.200 -0.087 0.000 1.130 12 S HN 1.554 nan 8.310 nan 0.000 0.467 13 A N 0.674 123.155 122.820 -0.566 0.000 2.498 13 A HA 0.864 5.184 4.320 -0.000 0.000 0.298 13 A C -2.024 174.994 177.584 -0.943 0.000 1.075 13 A CA -0.782 50.931 52.037 -0.540 0.000 0.714 13 A CB 1.004 19.893 19.000 -0.185 0.000 1.299 13 A HN 0.835 nan 8.150 nan 0.000 0.407 14 Y N -0.266 120.061 120.300 0.044 0.000 2.477 14 Y HA 0.630 5.180 4.550 -0.000 0.000 0.347 14 Y C 0.191 176.135 175.900 0.073 0.000 0.981 14 Y CA -0.633 57.504 58.100 0.060 0.000 1.033 14 Y CB 2.693 41.165 38.460 0.021 0.000 1.245 14 Y HN 0.517 nan 8.280 nan 0.000 0.455 15 T N 2.978 117.666 114.554 0.224 0.000 2.786 15 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 15 T C -0.954 173.851 174.700 0.174 0.000 0.992 15 T CA -0.653 61.550 62.100 0.173 0.000 0.954 15 T CB 0.922 69.873 68.868 0.139 0.000 0.934 15 T HN 0.340 nan 8.240 nan 0.000 0.440 16 V N 6.148 126.103 119.914 0.068 0.000 2.409 16 V HA 0.378 4.498 4.120 -0.000 0.000 0.291 16 V C -2.345 173.753 176.094 0.006 0.000 1.020 16 V CA -2.395 59.858 62.300 -0.077 0.000 0.848 16 V CB 1.460 33.092 31.823 -0.317 0.000 0.990 16 V HN 0.654 nan 8.190 nan 0.000 0.430 17 P HA 0.141 nan 4.420 nan 0.000 0.266 17 P C 0.331 177.641 177.300 0.018 0.000 1.195 17 P CA 0.106 63.238 63.100 0.053 0.000 0.768 17 P CB 0.262 32.007 31.700 0.075 0.000 0.838 18 T N -1.323 113.243 114.554 0.020 0.000 2.813 18 T HA 0.079 4.428 4.350 -0.000 0.000 0.297 18 T C 0.926 175.645 174.700 0.032 0.000 1.036 18 T CA -0.344 61.763 62.100 0.011 0.000 1.044 18 T CB 0.309 69.145 68.868 -0.053 0.000 0.993 18 T HN 0.446 nan 8.240 nan 0.000 0.535 19 D N -1.374 119.083 120.400 0.095 0.000 2.355 19 D HA 0.031 4.671 4.640 -0.000 0.000 0.218 19 D C -0.009 176.388 176.300 0.162 0.000 1.004 19 D CA 0.272 54.342 54.000 0.116 0.000 0.880 19 D CB -0.345 40.542 40.800 0.146 0.000 0.911 19 D HN 0.636 nan 8.370 nan 0.000 0.528 20 Y N -0.201 120.088 120.300 -0.019 0.000 2.558 20 Y HA 0.340 4.890 4.550 -0.000 0.000 0.333 20 Y C -2.689 173.144 175.900 -0.112 0.000 1.125 20 Y CA -2.212 55.863 58.100 -0.043 0.000 1.039 20 Y CB 1.929 40.381 38.460 -0.013 0.000 1.331 20 Y HN -0.297 nan 8.280 nan 0.000 0.456 21 P HA 0.147 nan 4.420 nan 0.000 0.268 21 P C -1.273 175.827 177.300 -0.334 0.000 1.204 21 P CA 0.337 63.201 63.100 -0.393 0.000 0.768 21 P CB 0.982 32.439 31.700 -0.405 0.000 0.842 22 E N 0.607 120.406 120.200 -0.669 0.000 2.277 22 E HA 0.592 4.942 4.350 -0.000 0.000 0.266 22 E C -0.490 175.410 176.600 -1.167 0.000 0.901 22 E CA -0.734 55.025 56.400 -1.070 0.000 0.782 22 E CB 1.925 30.491 29.700 -1.890 0.000 1.228 22 E HN 0.534 nan 8.360 nan 0.000 0.424 23 S N 0.823 116.047 115.700 -0.794 0.000 2.615 23 S HA 0.632 5.102 4.470 -0.000 0.000 0.269 23 S C -1.499 173.173 174.600 0.119 0.000 1.161 23 S CA -0.977 57.020 58.200 -0.339 0.000 0.817 23 S CB 1.899 65.032 63.200 -0.112 0.000 1.131 23 S HN 0.576 nan 8.310 nan 0.000 0.467 24 D N -0.825 119.770 120.400 0.324 0.000 2.867 24 D HA 0.572 5.212 4.640 -0.000 0.000 0.308 24 D C 1.338 177.732 176.300 0.157 0.000 1.202 24 D CA -0.202 53.976 54.000 0.298 0.000 1.035 24 D CB -0.118 40.940 40.800 0.431 0.000 1.427 24 D HN 0.738 nan 8.370 nan 0.000 0.570 25 G N -1.402 107.443 108.800 0.076 0.000 2.450 25 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.220 25 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.220 25 G C 1.073 175.990 174.900 0.028 0.000 1.130 25 G CA 1.751 46.847 45.100 -0.006 0.000 0.760 25 G HN 0.770 nan 8.290 nan 0.000 0.557 26 T N -3.351 111.248 114.554 0.075 0.000 3.111 26 T HA 0.602 4.952 4.350 -0.000 0.000 0.284 26 T C -0.139 174.631 174.700 0.116 0.000 0.983 26 T CA -0.405 61.738 62.100 0.071 0.000 0.900 26 T CB 0.421 69.312 68.868 0.038 0.000 1.132 26 T HN 0.100 nan 8.240 nan 0.000 0.531 27 L N 0.725 122.069 121.223 0.202 0.000 2.469 27 L HA 0.614 4.954 4.340 -0.000 0.000 0.256 27 L C -1.877 175.218 176.870 0.374 0.000 1.006 27 L CA -0.522 54.480 54.840 0.270 0.000 0.832 27 L CB 2.527 44.746 42.059 0.266 0.000 1.421 27 L HN 0.139 nan 8.230 nan 0.000 0.410 28 Q N 1.853 121.846 119.800 0.323 0.000 2.377 28 Q HA 0.715 5.055 4.340 -0.000 0.000 0.271 28 Q C -1.909 174.305 176.000 0.356 0.000 1.077 28 Q CA -0.500 55.423 55.803 0.201 0.000 0.820 28 Q CB 2.717 31.481 28.738 0.043 0.000 1.347 28 Q HN 0.632 nan 8.270 nan 0.000 0.444 29 W N 0.654 121.940 121.300 -0.023 0.000 3.059 29 W HA 0.493 5.153 4.660 -0.000 0.000 0.329 29 W C -1.274 175.215 176.519 -0.050 0.000 1.246 29 W CA -0.749 56.584 57.345 -0.020 0.000 1.190 29 W CB 0.718 30.179 29.460 0.002 0.000 1.423 29 W HN 0.595 nan 8.180 nan 0.000 0.571 30 D N 0.188 120.635 120.400 0.079 0.000 2.651 30 D HA 0.291 4.931 4.640 -0.000 0.000 0.280 30 D C -0.235 176.110 176.300 0.074 0.000 1.496 30 D CA 0.237 54.209 54.000 -0.047 0.000 0.792 30 D CB -0.095 40.657 40.800 -0.079 0.000 1.144 30 D HN 0.611 nan 8.370 nan 0.000 0.470 31 S N -1.728 114.104 115.700 0.221 0.000 2.643 31 S HA 0.783 5.253 4.470 -0.000 0.000 0.270 31 S C -0.981 173.766 174.600 0.245 0.000 1.166 31 S CA -0.641 57.669 58.200 0.184 0.000 0.815 31 S CB 1.941 65.222 63.200 0.136 0.000 1.139 31 S HN -0.064 nan 8.310 nan 0.000 0.472 32 T N 1.559 116.213 114.554 0.166 0.000 2.916 32 T HA 0.674 5.024 4.350 -0.000 0.000 0.298 32 T C -1.191 173.616 174.700 0.179 0.000 1.031 32 T CA -0.485 61.712 62.100 0.162 0.000 0.993 32 T CB 1.808 70.745 68.868 0.116 0.000 1.045 32 T HN 0.708 nan 8.240 nan 0.000 0.454 33 T N 3.705 118.388 114.554 0.216 0.000 2.770 33 T HA 0.508 4.858 4.350 -0.000 0.000 0.283 33 T C -0.298 174.579 174.700 0.296 0.000 0.988 33 T CA -0.531 61.697 62.100 0.212 0.000 0.957 33 T CB 0.804 69.762 68.868 0.150 0.000 0.930 33 T HN 0.488 nan 8.240 nan 0.000 0.443 34 M N 4.472 124.218 119.600 0.244 0.000 2.238 34 M HA 0.528 5.008 4.480 -0.000 0.000 0.350 34 M C -1.511 174.855 176.300 0.110 0.000 1.138 34 M CA -0.821 54.546 55.300 0.112 0.000 1.040 34 M CB 0.443 33.060 32.600 0.029 0.000 1.639 34 M HN 0.452 nan 8.290 nan 0.000 0.451 35 I N 5.753 126.363 120.570 0.067 0.000 2.312 35 I HA 0.309 4.478 4.170 -0.000 0.000 0.290 35 I C -0.886 175.320 176.117 0.148 0.000 1.008 35 I CA -0.337 61.011 61.300 0.081 0.000 1.226 35 I CB 1.365 39.402 38.000 0.062 0.000 1.371 35 I HN 0.560 nan 8.210 nan 0.000 0.468 36 L N 8.140 129.477 121.223 0.189 0.000 2.295 36 L HA 0.657 4.997 4.340 -0.000 0.000 0.285 36 L C -0.689 176.294 176.870 0.189 0.000 1.035 36 L CA -0.287 54.710 54.840 0.261 0.000 0.806 36 L CB 1.435 43.723 42.059 0.380 0.000 1.214 36 L HN 0.327 nan 8.230 nan 0.000 0.426 37 V N 4.695 124.714 119.914 0.174 0.000 2.459 37 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 37 V C -0.430 175.737 176.094 0.122 0.000 1.029 37 V CA -0.703 61.677 62.300 0.133 0.000 0.874 37 V CB 1.616 33.503 31.823 0.106 0.000 0.985 37 V HN 0.732 nan 8.190 nan 0.000 0.438 38 E N 3.181 123.450 120.200 0.114 0.000 2.165 38 E HA 0.693 5.043 4.350 -0.000 0.000 0.266 38 E C -0.600 176.029 176.600 0.049 0.000 0.889 38 E CA -0.613 55.817 56.400 0.051 0.000 0.756 38 E CB 2.307 32.040 29.700 0.055 0.000 1.131 38 E HN 0.769 nan 8.360 nan 0.000 0.411 39 A N 3.578 126.382 122.820 -0.027 0.000 2.288 39 A HA 0.487 4.807 4.320 -0.000 0.000 0.320 39 A C -1.102 176.431 177.584 -0.086 0.000 1.217 39 A CA -0.627 51.423 52.037 0.022 0.000 0.840 39 A CB 0.229 19.242 19.000 0.021 0.000 1.179 39 A HN 0.602 nan 8.150 nan 0.000 0.504 40 H N 0.447 119.532 119.070 0.024 0.000 2.472 40 H HA 0.729 5.285 4.556 -0.000 0.000 0.338 40 H C 0.506 175.840 175.328 0.010 0.000 1.133 40 H CA 0.422 56.482 56.048 0.019 0.000 1.216 40 H CB 1.957 31.732 29.762 0.020 0.000 1.497 40 H HN 1.023 nan 8.280 nan 0.000 0.500 41 G N -0.418 108.447 108.800 0.108 0.000 2.633 41 G HA2 0.419 4.379 3.960 -0.000 0.000 0.299 41 G HA3 0.419 4.379 3.960 -0.000 0.000 0.299 41 G C 0.249 175.171 174.900 0.038 0.000 1.501 41 G CA -0.202 44.934 45.100 0.061 0.000 0.887 41 G HN 0.972 nan 8.290 nan 0.000 0.561 42 G N -0.559 108.259 108.800 0.029 0.000 2.258 42 G HA2 0.240 4.199 3.960 -0.000 0.000 0.274 42 G HA3 0.240 4.199 3.960 -0.000 0.000 0.274 42 G C 1.816 176.731 174.900 0.025 0.000 1.021 42 G CA 1.521 46.632 45.100 0.019 0.000 0.798 42 G HN 2.815 nan 8.290 nan 0.000 0.507 43 G N -2.030 106.793 108.800 0.039 0.000 2.184 43 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.264 43 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.264 43 G C 0.649 175.574 174.900 0.042 0.000 0.975 43 G CA 1.322 46.447 45.100 0.042 0.000 0.642 43 G HN 0.948 nan 8.290 nan 0.000 0.536 44 R N -0.044 120.476 120.500 0.032 0.000 2.893 44 R HA 0.791 5.131 4.340 -0.000 0.000 0.245 44 R C 0.232 176.522 176.300 -0.018 0.000 1.192 44 R CA -0.193 55.913 56.100 0.011 0.000 1.077 44 R CB 1.320 31.619 30.300 -0.002 0.000 1.253 44 R HN 0.581 nan 8.270 nan 0.000 0.505 45 K N -1.120 119.237 120.400 -0.070 0.000 2.527 45 K HA 0.599 4.919 4.320 -0.000 0.000 0.260 45 K C -0.845 175.680 176.600 -0.125 0.000 0.937 45 K CA -0.899 55.281 56.287 -0.179 0.000 0.826 45 K CB 2.135 34.374 32.500 -0.436 0.000 1.359 45 K HN 0.622 nan 8.250 nan 0.000 0.434 46 G N 2.739 111.468 108.800 -0.118 0.000 2.432 46 G HA2 0.624 4.584 3.960 -0.000 0.000 0.331 46 G HA3 0.624 4.584 3.960 -0.000 0.000 0.331 46 G C -1.058 173.813 174.900 -0.049 0.000 1.170 46 G CA -1.134 43.929 45.100 -0.060 0.000 0.943 46 G HN 0.702 nan 8.290 nan 0.000 0.483 47 L N 0.502 121.712 121.223 -0.022 0.000 2.354 47 L HA 1.021 5.361 4.340 -0.000 0.000 0.264 47 L C -0.278 176.610 176.870 0.030 0.000 1.008 47 L CA -0.809 54.045 54.840 0.024 0.000 0.819 47 L CB 2.332 44.425 42.059 0.057 0.000 1.339 47 L HN 0.819 nan 8.230 nan 0.000 0.420 48 G N 1.717 110.567 108.800 0.083 0.000 2.718 48 G HA2 0.639 4.599 3.960 -0.000 0.000 0.295 48 G HA3 0.639 4.599 3.960 -0.000 0.000 0.295 48 G C -2.152 172.820 174.900 0.121 0.000 1.421 48 G CA -0.460 44.656 45.100 0.027 0.000 0.902 48 G HN 0.984 nan 8.290 nan 0.000 0.501 49 Y N -1.753 118.539 120.300 -0.013 0.000 2.655 49 Y HA 0.881 5.431 4.550 -0.000 0.000 0.336 49 Y C -0.328 175.498 175.900 -0.123 0.000 1.154 49 Y CA -1.144 56.926 58.100 -0.050 0.000 1.055 49 Y CB 1.727 40.157 38.460 -0.049 0.000 1.295 49 Y HN 0.755 nan 8.280 nan 0.000 0.465 50 T N -0.192 114.354 114.554 -0.013 0.000 2.838 50 T HA 0.651 5.001 4.350 -0.000 0.000 0.292 50 T C -2.229 172.358 174.700 -0.189 0.000 1.113 50 T CA -0.624 61.428 62.100 -0.081 0.000 1.008 50 T CB 0.950 69.834 68.868 0.028 0.000 1.259 50 T HN 0.549 nan 8.240 nan 0.000 0.520 51 Y N 0.224 120.609 120.300 0.143 0.000 2.364 51 Y HA 0.731 5.281 4.550 -0.000 0.000 0.340 51 Y C 0.874 176.846 175.900 0.121 0.000 0.975 51 Y CA 0.131 58.295 58.100 0.107 0.000 1.089 51 Y CB 2.232 40.717 38.460 0.041 0.000 1.192 51 Y HN 1.101 nan 8.280 nan 0.000 0.454 52 G N 1.452 110.407 108.800 0.258 0.000 2.360 52 G HA2 0.132 4.092 3.960 -0.000 0.000 0.276 52 G HA3 0.132 4.092 3.960 -0.000 0.000 0.276 52 G C -1.897 173.080 174.900 0.128 0.000 1.256 52 G CA -1.061 44.146 45.100 0.179 0.000 0.890 52 G HN 0.478 nan 8.290 nan 0.000 0.486 53 D N -1.006 119.447 120.400 0.088 0.000 2.339 53 D HA 0.357 4.997 4.640 -0.000 0.000 0.245 53 D C 1.593 177.928 176.300 0.058 0.000 1.115 53 D CA 0.361 54.401 54.000 0.067 0.000 0.917 53 D CB 1.824 42.651 40.800 0.045 0.000 1.192 53 D HN 0.496 nan 8.370 nan 0.000 0.428 54 V N 2.576 122.520 119.914 0.050 0.000 2.546 54 V HA -0.243 3.877 4.120 -0.000 0.000 0.254 54 V C 1.879 177.995 176.094 0.036 0.000 1.076 54 V CA 2.671 64.992 62.300 0.035 0.000 1.087 54 V CB -0.695 31.143 31.823 0.024 0.000 0.674 54 V HN 0.743 nan 8.190 nan 0.000 0.470 55 S N -1.151 114.574 115.700 0.041 0.000 2.500 55 S HA -0.132 4.338 4.470 -0.000 0.000 0.239 55 S C 1.805 176.454 174.600 0.081 0.000 0.989 55 S CA 1.356 59.589 58.200 0.055 0.000 0.951 55 S CB -0.376 62.855 63.200 0.050 0.000 0.759 55 S HN 0.431 nan 8.310 nan 0.000 0.523 56 V N 2.347 122.295 119.914 0.057 0.000 2.392 56 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 56 V C 2.839 179.001 176.094 0.113 0.000 1.059 56 V CA 1.952 64.288 62.300 0.061 0.000 1.051 56 V CB -1.609 30.232 31.823 0.031 0.000 0.658 56 V HN 0.665 nan 8.190 nan 0.000 0.455 57 G N -0.322 108.525 108.800 0.078 0.000 2.418 57 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 57 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 57 G C 1.653 176.600 174.900 0.079 0.000 1.158 57 G CA 0.939 46.080 45.100 0.067 0.000 0.771 57 G HN 0.432 nan 8.290 nan 0.000 0.545 58 R N -0.137 120.409 120.500 0.076 0.000 2.096 58 R HA -0.000 4.340 4.340 -0.000 0.000 0.235 58 R C 2.123 178.470 176.300 0.080 0.000 1.127 58 R CA 1.253 57.389 56.100 0.060 0.000 0.968 58 R CB -0.842 29.486 30.300 0.048 0.000 0.861 58 R HN 0.375 nan 8.270 nan 0.000 0.440 59 F N -0.336 119.607 119.950 -0.011 0.000 2.102 59 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 59 F C 1.920 177.712 175.800 -0.012 0.000 1.105 59 F CA 1.566 59.556 58.000 -0.017 0.000 1.239 59 F CB -0.225 38.761 39.000 -0.023 0.000 0.991 59 F HN -0.150 nan 8.300 nan 0.000 0.474 60 V N 0.582 120.662 119.914 0.277 0.000 2.252 60 V HA -0.362 3.758 4.120 -0.000 0.000 0.249 60 V C 2.155 178.279 176.094 0.051 0.000 1.056 60 V CA 2.495 64.893 62.300 0.165 0.000 1.022 60 V CB -0.798 31.103 31.823 0.130 0.000 0.641 60 V HN 0.387 nan 8.190 nan 0.000 0.445 61 E N -0.352 119.866 120.200 0.030 0.000 2.106 61 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 61 E C 2.403 178.973 176.600 -0.050 0.000 0.984 61 E CA 1.400 57.799 56.400 -0.003 0.000 0.806 61 E CB -0.230 29.472 29.700 0.002 0.000 0.750 61 E HN 0.536 nan 8.360 nan 0.000 0.458 62 S N -0.060 115.582 115.700 -0.096 0.000 2.377 62 S HA -0.071 4.399 4.470 -0.000 0.000 0.223 62 S C 1.706 176.177 174.600 -0.216 0.000 1.030 62 S CA 0.946 59.052 58.200 -0.157 0.000 0.970 62 S CB 0.193 63.279 63.200 -0.191 0.000 0.830 62 S HN -0.007 nan 8.310 nan 0.000 0.473 63 K N 0.286 120.497 120.400 -0.316 0.000 2.365 63 K HA 0.377 4.697 4.320 -0.000 0.000 0.195 63 K C 1.714 178.228 176.600 -0.142 0.000 1.079 63 K CA 0.322 56.421 56.287 -0.313 0.000 0.979 63 K CB -0.115 32.020 32.500 -0.609 0.000 0.929 63 K HN 0.382 nan 8.250 nan 0.000 0.523 64 L N -0.150 121.030 121.223 -0.073 0.000 2.537 64 L HA 0.251 4.591 4.340 -0.000 0.000 0.224 64 L C 2.287 179.159 176.870 0.003 0.000 1.065 64 L CA 0.420 55.259 54.840 -0.002 0.000 0.860 64 L CB -0.348 41.754 42.059 0.071 0.000 1.086 64 L HN -0.087 nan 8.230 nan 0.000 0.482 65 A N 1.145 123.965 122.820 0.000 0.000 1.892 65 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 65 A C 2.298 179.880 177.584 -0.002 0.000 1.188 65 A CA 2.088 54.130 52.037 0.008 0.000 0.631 65 A CB -1.212 17.791 19.000 0.005 0.000 0.822 65 A HN 0.413 nan 8.150 nan 0.000 0.447 66 G N -1.263 107.526 108.800 -0.018 0.000 2.484 66 G HA2 0.061 4.020 3.960 -0.000 0.000 0.218 66 G HA3 0.061 4.020 3.960 -0.000 0.000 0.218 66 G C 1.367 176.257 174.900 -0.017 0.000 1.130 66 G CA 1.075 46.163 45.100 -0.020 0.000 0.784 66 G HN 0.331 nan 8.290 nan 0.000 0.543 67 V N 1.045 120.949 119.914 -0.017 0.000 2.379 67 V HA 0.035 4.155 4.120 -0.000 0.000 0.243 67 V C 3.199 179.292 176.094 -0.001 0.000 1.035 67 V CA 1.761 64.054 62.300 -0.012 0.000 1.035 67 V CB -0.448 31.365 31.823 -0.017 0.000 0.673 67 V HN 0.410 nan 8.190 nan 0.000 0.457 68 A N -0.539 122.285 122.820 0.007 0.000 1.898 68 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 68 A C 1.216 178.807 177.584 0.011 0.000 1.181 68 A CA 0.647 52.693 52.037 0.015 0.000 0.620 68 A CB -0.381 18.636 19.000 0.028 0.000 0.819 68 A HN 0.594 nan 8.150 nan 0.000 0.442 69 E N -1.165 119.042 120.200 0.011 0.000 2.417 69 E HA 0.357 4.707 4.350 -0.000 0.000 0.261 69 E C 0.990 177.592 176.600 0.003 0.000 1.000 69 E CA 0.646 57.052 56.400 0.010 0.000 0.919 69 E CB 0.139 29.844 29.700 0.009 0.000 0.955 69 E HN 0.650 nan 8.360 nan 0.000 0.455 70 G N 2.615 111.416 108.800 0.003 0.000 2.176 70 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.232 70 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.232 70 G C 0.312 175.209 174.900 -0.004 0.000 0.986 70 G CA 0.074 45.174 45.100 -0.001 0.000 0.643 70 G HN 0.486 nan 8.290 nan 0.000 0.522 71 S N 0.522 116.218 115.700 -0.005 0.000 2.632 71 S HA 0.474 4.944 4.470 -0.000 0.000 0.271 71 S C 0.034 174.623 174.600 -0.019 0.000 1.260 71 S CA -0.199 57.995 58.200 -0.011 0.000 1.010 71 S CB 1.535 64.729 63.200 -0.011 0.000 0.965 71 S HN 0.430 nan 8.310 nan 0.000 0.534 72 D N 1.069 121.454 120.400 -0.026 0.000 2.472 72 D HA 0.088 4.728 4.640 -0.000 0.000 0.248 72 D C 0.715 176.982 176.300 -0.055 0.000 1.174 72 D CA -0.029 53.949 54.000 -0.036 0.000 0.883 72 D CB 0.664 41.441 40.800 -0.039 0.000 1.149 72 D HN 0.527 nan 8.370 nan 0.000 0.488 73 A N 4.194 126.983 122.820 -0.052 0.000 2.238 73 A HA 0.046 4.366 4.320 -0.000 0.000 0.208 73 A C 1.859 179.379 177.584 -0.107 0.000 1.177 73 A CA 0.221 52.218 52.037 -0.068 0.000 0.804 73 A CB -0.139 18.836 19.000 -0.041 0.000 0.823 73 A HN 0.695 nan 8.150 nan 0.000 0.482 74 L N -0.830 120.328 121.223 -0.108 0.000 2.640 74 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 74 L C 0.134 176.887 176.870 -0.196 0.000 1.123 74 L CA 0.168 54.930 54.840 -0.130 0.000 0.900 74 L CB 0.518 42.528 42.059 -0.081 0.000 1.146 74 L HN 0.153 nan 8.230 nan 0.000 0.484 75 S N -0.416 115.154 115.700 -0.216 0.000 2.235 75 S HA 0.255 4.725 4.470 -0.000 0.000 0.152 75 S C -1.887 172.538 174.600 -0.293 0.000 1.649 75 S CA -0.655 57.398 58.200 -0.245 0.000 1.277 75 S CB 1.076 64.200 63.200 -0.126 0.000 1.299 75 S HN -0.070 nan 8.310 nan 0.000 0.388 76 P HA -0.067 nan 4.420 nan 0.000 0.216 76 P C -1.684 175.522 177.300 -0.155 0.000 1.150 76 P CA 1.178 64.010 63.100 -0.445 0.000 0.843 76 P CB -0.774 30.326 31.700 -1.000 0.000 0.787 77 P HA -0.139 nan 4.420 nan 0.000 0.218 77 P C 1.426 178.822 177.300 0.159 0.000 1.148 77 P CA 1.820 64.960 63.100 0.067 0.000 0.822 77 P CB -0.599 31.117 31.700 0.026 0.000 0.784 78 A N -0.543 122.315 122.820 0.063 0.000 1.902 78 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 78 A C 2.258 179.899 177.584 0.095 0.000 1.181 78 A CA 1.904 53.985 52.037 0.073 0.000 0.623 78 A CB -1.715 17.295 19.000 0.016 0.000 0.818 78 A HN 0.052 nan 8.150 nan 0.000 0.443 79 V N -2.365 117.595 119.914 0.076 0.000 2.427 79 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 79 V C 2.154 178.331 176.094 0.138 0.000 1.051 79 V CA 1.628 63.973 62.300 0.076 0.000 1.048 79 V CB -1.132 30.717 31.823 0.043 0.000 0.666 79 V HN 0.835 nan 8.190 nan 0.000 0.456 80 W N 1.291 122.597 121.300 0.009 0.000 2.321 80 W HA -0.266 4.394 4.660 0.000 0.000 0.306 80 W C 2.460 179.005 176.519 0.044 0.000 1.217 80 W CA 2.401 59.772 57.345 0.043 0.000 1.257 80 W CB -0.235 29.267 29.460 0.070 0.000 1.145 80 W HN 0.197 nan 8.180 nan 0.000 0.509 81 A N 0.334 123.357 122.820 0.338 0.000 1.933 81 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 81 A C 1.981 179.563 177.584 -0.003 0.000 1.175 81 A CA 1.780 53.925 52.037 0.179 0.000 0.628 81 A CB -0.690 18.452 19.000 0.237 0.000 0.814 81 A HN 0.408 nan 8.150 nan 0.000 0.444 82 R N -1.263 119.244 120.500 0.012 0.000 2.090 82 R HA 0.078 4.418 4.340 -0.000 0.000 0.228 82 R C 2.278 178.542 176.300 -0.060 0.000 1.110 82 R CA 1.309 57.399 56.100 -0.016 0.000 0.973 82 R CB -0.291 30.012 30.300 0.004 0.000 0.869 82 R HN 0.530 nan 8.270 nan 0.000 0.440 83 M N 0.393 119.938 119.600 -0.090 0.000 2.067 83 M HA -0.210 4.269 4.480 -0.000 0.000 0.260 83 M C 2.168 178.364 176.300 -0.173 0.000 1.069 83 M CA 1.576 56.806 55.300 -0.116 0.000 1.117 83 M CB -0.249 32.279 32.600 -0.119 0.000 1.334 83 M HN 0.071 nan 8.290 nan 0.000 0.407 84 Q N -0.076 119.525 119.800 -0.333 0.000 2.152 84 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 84 Q C 2.137 178.044 176.000 -0.155 0.000 0.985 84 Q CA 1.938 57.548 55.803 -0.322 0.000 0.863 84 Q CB -0.670 27.753 28.738 -0.525 0.000 0.904 84 Q HN 0.604 nan 8.270 nan 0.000 0.422 85 A N 0.924 123.676 122.820 -0.112 0.000 1.929 85 A HA 0.062 4.382 4.320 -0.000 0.000 0.216 85 A C 2.329 179.886 177.584 -0.046 0.000 1.176 85 A CA 1.470 53.472 52.037 -0.058 0.000 0.628 85 A CB -0.507 18.472 19.000 -0.035 0.000 0.816 85 A HN 0.352 nan 8.150 nan 0.000 0.444 86 A N 0.421 123.211 122.820 -0.051 0.000 2.015 86 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 86 A C 1.791 179.354 177.584 -0.035 0.000 1.163 86 A CA 1.303 53.314 52.037 -0.044 0.000 0.646 86 A CB -0.686 18.285 19.000 -0.049 0.000 0.806 86 A HN 0.997 nan 8.150 nan 0.000 0.448 87 I N -4.149 116.413 120.570 -0.014 0.000 3.884 87 I HA 0.283 4.453 4.170 -0.000 0.000 0.330 87 I C 1.547 177.683 176.117 0.031 0.000 1.451 87 I CA -0.182 61.142 61.300 0.041 0.000 1.165 87 I CB -0.070 38.042 38.000 0.186 0.000 1.097 87 I HN 0.188 nan 8.210 nan 0.000 0.404 88 R N 2.001 122.499 120.500 -0.003 0.000 2.115 88 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 88 R C 1.648 177.950 176.300 0.003 0.000 1.133 88 R CA 2.650 58.747 56.100 -0.005 0.000 0.935 88 R CB -0.146 30.148 30.300 -0.010 0.000 0.853 88 R HN 0.467 nan 8.270 nan 0.000 0.433 89 N N 0.102 118.802 118.700 -0.001 0.000 2.270 89 N HA -0.078 4.662 4.740 -0.000 0.000 0.181 89 N C 1.442 176.962 175.510 0.016 0.000 1.016 89 N CA 1.312 54.362 53.050 -0.000 0.000 0.870 89 N CB -0.315 38.165 38.487 -0.012 0.000 0.979 89 N HN 0.329 nan 8.380 nan 0.000 0.431 90 A N 0.042 122.882 122.820 0.033 0.000 2.066 90 A HA 0.353 4.673 4.320 -0.000 0.000 0.218 90 A C 0.922 178.619 177.584 0.189 0.000 1.157 90 A CA 1.048 53.138 52.037 0.088 0.000 0.670 90 A CB -0.396 18.607 19.000 0.006 0.000 0.804 90 A HN 0.347 nan 8.150 nan 0.000 0.453 91 G N -1.358 107.510 108.800 0.114 0.000 3.199 91 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.680 91 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.680 91 G C 0.122 174.992 174.900 -0.050 0.000 1.197 91 G CA 0.101 45.212 45.100 0.018 0.000 1.143 91 G HN 0.334 nan 8.290 nan 0.000 0.492 92 R N 1.299 121.757 120.500 -0.071 0.000 2.066 92 R HA 0.070 4.410 4.340 -0.000 0.000 0.232 92 R C -0.963 175.221 176.300 -0.194 0.000 1.131 92 R CA 1.884 57.925 56.100 -0.098 0.000 0.955 92 R CB -0.294 29.975 30.300 -0.053 0.000 0.851 92 R HN 0.537 nan 8.270 nan 0.000 0.432 93 P HA 0.224 nan 4.420 nan 0.000 0.280 93 P C 0.153 176.885 177.300 -0.946 0.000 1.272 93 P CA 0.371 63.145 63.100 -0.545 0.000 0.819 93 P CB 1.227 32.629 31.700 -0.497 0.000 1.122 94 G N -0.308 107.318 108.800 -1.957 0.000 2.536 94 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.280 94 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.280 94 G C 0.996 175.429 174.900 -0.778 0.000 1.152 94 G CA 0.349 44.490 45.100 -1.599 0.000 0.970 94 G HN 0.345 nan 8.290 nan 0.000 0.549 95 V N 2.028 121.634 119.914 -0.514 0.000 2.282 95 V HA -0.111 4.009 4.120 -0.000 0.000 0.249 95 V C 3.267 178.961 176.094 -0.667 0.000 1.057 95 V CA 3.623 65.668 62.300 -0.425 0.000 1.032 95 V CB -1.367 30.257 31.823 -0.332 0.000 0.645 95 V HN 1.492 nan 8.190 nan 0.000 0.447 96 G N -0.800 107.436 108.800 -0.940 0.000 2.440 96 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 96 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 96 G C 1.727 176.329 174.900 -0.496 0.000 1.154 96 G CA 1.075 45.457 45.100 -1.196 0.000 0.767 96 G HN 0.649 nan 8.290 nan 0.000 0.552 97 A N 0.255 122.896 122.820 -0.298 0.000 1.968 97 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 97 A C 2.439 180.062 177.584 0.066 0.000 1.169 97 A CA 1.540 53.561 52.037 -0.027 0.000 0.638 97 A CB -0.277 18.839 19.000 0.193 0.000 0.812 97 A HN 0.384 nan 8.150 nan 0.000 0.446 98 M N -0.514 119.103 119.600 0.029 0.000 2.132 98 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 98 M C 2.536 178.852 176.300 0.026 0.000 1.065 98 M CA 1.336 56.688 55.300 0.086 0.000 1.122 98 M CB -0.377 32.277 32.600 0.090 0.000 1.365 98 M HN 0.470 nan 8.290 nan 0.000 0.411 99 A N -0.023 122.760 122.820 -0.063 0.000 1.865 99 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 99 A C 2.229 179.851 177.584 0.063 0.000 1.191 99 A CA 1.896 53.938 52.037 0.009 0.000 0.623 99 A CB -1.120 17.895 19.000 0.026 0.000 0.826 99 A HN 0.285 nan 8.150 nan 0.000 0.444 100 V N 0.200 120.137 119.914 0.038 0.000 2.295 100 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 100 V C 2.808 178.984 176.094 0.137 0.000 1.049 100 V CA 2.382 64.718 62.300 0.060 0.000 1.024 100 V CB -0.929 30.869 31.823 -0.041 0.000 0.648 100 V HN 0.586 nan 8.190 nan 0.000 0.447 101 S N 0.382 116.169 115.700 0.145 0.000 2.370 101 S HA -0.215 4.255 4.470 -0.000 0.000 0.226 101 S C 2.210 176.868 174.600 0.098 0.000 1.033 101 S CA 1.500 59.798 58.200 0.162 0.000 1.011 101 S CB -0.557 62.725 63.200 0.136 0.000 0.852 101 S HN 0.670 nan 8.310 nan 0.000 0.457 102 A N 1.328 124.186 122.820 0.064 0.000 1.858 102 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 102 A C 2.385 180.010 177.584 0.069 0.000 1.190 102 A CA 1.604 53.661 52.037 0.034 0.000 0.617 102 A CB -1.017 18.014 19.000 0.052 0.000 0.827 102 A HN 0.335 nan 8.150 nan 0.000 0.443 103 V N 0.663 120.635 119.914 0.096 0.000 2.287 103 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 103 V C 2.349 178.520 176.094 0.128 0.000 1.053 103 V CA 2.608 64.969 62.300 0.103 0.000 1.027 103 V CB -0.956 30.928 31.823 0.102 0.000 0.646 103 V HN 0.768 nan 8.190 nan 0.000 0.447 104 D N -0.052 120.462 120.400 0.190 0.000 2.123 104 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 104 D C 1.955 178.421 176.300 0.276 0.000 0.992 104 D CA 1.589 55.756 54.000 0.279 0.000 0.833 104 D CB -0.168 40.891 40.800 0.432 0.000 0.954 104 D HN 0.454 nan 8.370 nan 0.000 0.455 105 I N 0.515 121.190 120.570 0.175 0.000 2.179 105 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 105 I C 2.550 178.728 176.117 0.103 0.000 1.088 105 I CA 1.118 62.481 61.300 0.105 0.000 1.357 105 I CB -0.430 37.536 38.000 -0.057 0.000 1.051 105 I HN 0.081 nan 8.210 nan 0.000 0.409 106 A N 0.916 123.779 122.820 0.071 0.000 1.908 106 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 106 A C 2.307 179.924 177.584 0.054 0.000 1.181 106 A CA 1.614 53.683 52.037 0.053 0.000 0.627 106 A CB -0.900 18.132 19.000 0.053 0.000 0.818 106 A HN 0.413 nan 8.150 nan 0.000 0.445 107 L N -3.143 118.120 121.223 0.066 0.000 2.109 107 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 107 L C 2.558 179.409 176.870 -0.032 0.000 1.086 107 L CA 0.991 55.829 54.840 -0.004 0.000 0.760 107 L CB -0.444 41.593 42.059 -0.037 0.000 0.910 107 L HN 0.602 nan 8.230 nan 0.000 0.437 108 W N 0.759 122.050 121.300 -0.014 0.000 2.381 108 W HA -0.222 4.438 4.660 -0.000 0.000 0.301 108 W C 2.410 178.898 176.519 -0.051 0.000 1.205 108 W CA 1.290 58.616 57.345 -0.032 0.000 1.285 108 W CB -0.131 29.305 29.460 -0.041 0.000 1.133 108 W HN 0.203 nan 8.180 nan 0.000 0.521 109 D N 0.067 120.569 120.400 0.170 0.000 2.144 109 D HA -0.203 4.437 4.640 -0.000 0.000 0.199 109 D C 2.005 178.321 176.300 0.026 0.000 0.984 109 D CA 1.295 55.325 54.000 0.050 0.000 0.834 109 D CB -0.326 40.467 40.800 -0.012 0.000 0.955 109 D HN 0.025 nan 8.370 nan 0.000 0.465 110 L N 0.966 122.196 121.223 0.012 0.000 2.027 110 L HA -0.077 4.262 4.340 -0.000 0.000 0.206 110 L C 2.212 179.071 176.870 -0.018 0.000 1.074 110 L CA 1.956 56.786 54.840 -0.017 0.000 0.745 110 L CB -0.860 41.181 42.059 -0.030 0.000 0.898 110 L HN -0.040 nan 8.230 nan 0.000 0.433 111 K N -0.381 119.998 120.400 -0.036 0.000 2.020 111 K HA -0.240 4.080 4.320 -0.000 0.000 0.212 111 K C 1.998 178.609 176.600 0.017 0.000 1.050 111 K CA 1.837 58.093 56.287 -0.051 0.000 0.929 111 K CB -0.446 31.949 32.500 -0.174 0.000 0.714 111 K HN 0.439 nan 8.250 nan 0.000 0.443 112 A N 1.514 124.383 122.820 0.082 0.000 1.892 112 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 112 A C 2.169 179.772 177.584 0.032 0.000 1.188 112 A CA 1.995 54.079 52.037 0.078 0.000 0.631 112 A CB -0.645 18.409 19.000 0.089 0.000 0.822 112 A HN 0.444 nan 8.150 nan 0.000 0.447 113 R N -0.755 119.754 120.500 0.015 0.000 2.096 113 R HA -0.020 4.320 4.340 -0.000 0.000 0.235 113 R C 2.060 178.362 176.300 0.003 0.000 1.127 113 R CA 1.384 57.486 56.100 0.004 0.000 0.968 113 R CB -0.516 29.779 30.300 -0.008 0.000 0.861 113 R HN 0.519 nan 8.270 nan 0.000 0.440 114 L N 0.590 121.812 121.223 -0.001 0.000 2.131 114 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 114 L C 2.032 178.903 176.870 0.001 0.000 1.092 114 L CA 1.050 55.889 54.840 -0.003 0.000 0.759 114 L CB -0.227 41.825 42.059 -0.012 0.000 0.903 114 L HN 0.214 nan 8.230 nan 0.000 0.435 115 L N -0.625 120.602 121.223 0.007 0.000 2.554 115 L HA 0.128 4.468 4.340 -0.000 0.000 0.226 115 L C 1.395 178.273 176.870 0.013 0.000 1.137 115 L CA 0.474 55.320 54.840 0.011 0.000 0.863 115 L CB -0.570 41.500 42.059 0.019 0.000 0.985 115 L HN 0.468 nan 8.230 nan 0.000 0.451 116 G N 1.262 110.070 108.800 0.013 0.000 2.221 116 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.265 116 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.265 116 G C -0.110 174.801 174.900 0.018 0.000 1.041 116 G CA 0.119 45.228 45.100 0.014 0.000 0.807 116 G HN 0.280 nan 8.290 nan 0.000 0.502 117 L N -0.706 120.532 121.223 0.024 0.000 2.342 117 L HA 0.589 4.929 4.340 -0.000 0.000 0.271 117 L C -2.162 174.729 176.870 0.034 0.000 1.008 117 L CA -2.879 51.979 54.840 0.030 0.000 0.818 117 L CB 1.917 43.998 42.059 0.037 0.000 1.296 117 L HN -0.198 nan 8.230 nan 0.000 0.427 118 P HA -0.042 nan 4.420 nan 0.000 0.265 118 P C 0.483 177.823 177.300 0.066 0.000 1.193 118 P CA -0.228 62.909 63.100 0.061 0.000 0.765 118 P CB 0.641 32.392 31.700 0.085 0.000 0.823 119 L N 5.019 126.266 121.223 0.041 0.000 2.013 119 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 119 L C 2.195 179.104 176.870 0.065 0.000 1.073 119 L CA 2.546 57.406 54.840 0.032 0.000 0.753 119 L CB -1.604 40.398 42.059 -0.095 0.000 0.890 119 L HN 0.445 nan 8.230 nan 0.000 0.432 120 A N -1.012 121.905 122.820 0.161 0.000 1.997 120 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 120 A C 1.894 179.490 177.584 0.020 0.000 1.172 120 A CA 2.142 54.227 52.037 0.079 0.000 0.645 120 A CB -0.791 18.256 19.000 0.078 0.000 0.813 120 A HN 0.647 nan 8.150 nan 0.000 0.454 121 D N -0.833 119.587 120.400 0.033 0.000 2.354 121 D HA 0.223 4.863 4.640 -0.000 0.000 0.209 121 D C 1.724 178.036 176.300 0.020 0.000 1.015 121 D CA 0.925 54.932 54.000 0.012 0.000 0.867 121 D CB 0.017 40.828 40.800 0.018 0.000 0.933 121 D HN 0.465 nan 8.370 nan 0.000 0.520 122 A N 0.189 123.036 122.820 0.044 0.000 2.218 122 A HA 0.187 4.506 4.320 -0.000 0.000 0.209 122 A C 0.958 178.582 177.584 0.067 0.000 1.168 122 A CA 0.164 52.255 52.037 0.091 0.000 0.804 122 A CB 0.059 19.161 19.000 0.170 0.000 0.834 122 A HN 0.099 nan 8.150 nan 0.000 0.482 123 L N 0.044 121.246 121.223 -0.035 0.000 2.322 123 L HA 0.411 4.751 4.340 -0.000 0.000 0.269 123 L C -2.409 174.401 176.870 -0.101 0.000 1.012 123 L CA -2.624 52.145 54.840 -0.119 0.000 0.815 123 L CB 1.367 43.289 42.059 -0.228 0.000 1.295 123 L HN -0.077 nan 8.230 nan 0.000 0.438 124 P HA 0.033 nan 4.420 nan 0.000 0.264 124 P C -1.069 176.108 177.300 -0.205 0.000 1.183 124 P CA 0.145 63.141 63.100 -0.173 0.000 0.763 124 P CB 0.355 31.963 31.700 -0.153 0.000 0.807 125 R N 2.864 123.188 120.500 -0.292 0.000 2.451 125 R HA 0.362 4.702 4.340 -0.000 0.000 0.307 125 R C -0.058 176.010 176.300 -0.387 0.000 0.965 125 R CA -0.413 55.547 56.100 -0.234 0.000 0.865 125 R CB 0.410 30.631 30.300 -0.131 0.000 1.174 125 R HN 0.287 nan 8.270 nan 0.000 0.455 126 F N 1.148 120.911 119.950 -0.310 0.000 2.582 126 F HA 0.222 4.749 4.527 -0.000 0.000 0.290 126 F C 0.581 176.097 175.800 -0.474 0.000 1.115 126 F CA 0.231 57.951 58.000 -0.467 0.000 1.445 126 F CB 0.421 38.951 39.000 -0.784 0.000 1.126 126 F HN 0.351 nan 8.300 nan 0.000 0.574 127 H N -1.087 118.073 119.070 0.150 0.000 2.538 127 H HA 0.531 5.087 4.556 -0.000 0.000 0.353 127 H C 0.814 176.158 175.328 0.026 0.000 1.109 127 H CA -0.432 55.664 56.048 0.079 0.000 1.192 127 H CB 1.644 31.446 29.762 0.067 0.000 1.555 127 H HN 0.012 nan 8.280 nan 0.000 0.518 128 A N 2.748 125.647 122.820 0.132 0.000 1.929 128 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 128 A C 0.666 178.275 177.584 0.043 0.000 1.176 128 A CA 1.178 53.251 52.037 0.059 0.000 0.628 128 A CB -0.075 18.949 19.000 0.040 0.000 0.816 128 A HN 0.816 nan 8.150 nan 0.000 0.444 129 E N -1.362 118.870 120.200 0.054 0.000 2.429 129 E HA 0.565 4.915 4.350 -0.000 0.000 0.276 129 E C -1.080 175.518 176.600 -0.004 0.000 0.953 129 E CA -0.954 55.451 56.400 0.008 0.000 0.787 129 E CB 1.880 31.570 29.700 -0.016 0.000 1.307 129 E HN 0.295 nan 8.360 nan 0.000 0.458 130 V N -2.102 117.789 119.914 -0.038 0.000 2.604 130 V HA 0.645 4.765 4.120 -0.000 0.000 0.305 130 V C -2.705 173.348 176.094 -0.068 0.000 1.043 130 V CA -2.672 59.583 62.300 -0.074 0.000 0.888 130 V CB 1.191 32.989 31.823 -0.041 0.000 0.995 130 V HN 0.620 nan 8.190 nan 0.000 0.429 131 P HA 0.422 nan 4.420 nan 0.000 0.278 131 P C -0.394 176.899 177.300 -0.011 0.000 1.238 131 P CA -0.109 62.968 63.100 -0.038 0.000 0.794 131 P CB 1.597 33.287 31.700 -0.016 0.000 0.955 132 V N 1.099 120.975 119.914 -0.063 0.000 2.960 132 V HA 0.757 4.877 4.120 -0.000 0.000 0.315 132 V C -1.168 174.844 176.094 -0.136 0.000 1.087 132 V CA -1.191 61.032 62.300 -0.128 0.000 0.982 132 V CB 1.644 33.338 31.823 -0.215 0.000 1.039 132 V HN 0.555 nan 8.190 nan 0.000 0.437 133 Y N 0.636 120.737 120.300 -0.332 0.000 2.393 133 Y HA 0.902 5.452 4.550 -0.000 0.000 0.341 133 Y C 0.323 175.950 175.900 -0.454 0.000 0.988 133 Y CA -0.875 56.971 58.100 -0.423 0.000 1.078 133 Y CB 1.372 39.472 38.460 -0.601 0.000 1.203 133 Y HN 1.009 nan 8.280 nan 0.000 0.453 134 G N 1.604 110.104 108.800 -0.500 0.000 2.361 134 G HA2 0.370 4.330 3.960 -0.000 0.000 0.260 134 G HA3 0.370 4.330 3.960 -0.000 0.000 0.260 134 G C -0.780 173.559 174.900 -0.936 0.000 1.261 134 G CA -0.413 43.953 45.100 -1.222 0.000 0.897 134 G HN 0.728 nan 8.290 nan 0.000 0.499 135 S N 1.677 116.831 115.700 -0.909 0.000 2.707 135 S HA 0.811 5.281 4.470 -0.000 0.000 0.303 135 S C 0.528 175.173 174.600 0.075 0.000 1.132 135 S CA 0.281 58.355 58.200 -0.210 0.000 1.046 135 S CB 1.119 64.273 63.200 -0.077 0.000 1.004 135 S HN 1.328 nan 8.310 nan 0.000 0.483 136 G N 2.396 111.253 108.800 0.095 0.000 3.262 136 G HA2 0.451 4.411 3.960 -0.000 0.000 0.148 136 G HA3 0.451 4.411 3.960 -0.000 0.000 0.148 136 G C 0.578 174.957 174.900 -0.868 0.000 1.197 136 G CA 0.395 45.191 45.100 -0.507 0.000 1.469 136 G HN 1.825 nan 8.290 nan 0.000 0.717 137 G N 0.559 108.962 108.800 -0.661 0.000 2.350 137 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.298 137 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.298 137 G C 0.071 174.562 174.900 -0.683 0.000 1.037 137 G CA 0.414 45.225 45.100 -0.482 0.000 1.074 137 G HN 0.735 nan 8.290 nan 0.000 0.511 138 F N -0.196 119.250 119.950 -0.839 0.000 2.496 138 F HA 0.318 4.845 4.527 -0.000 0.000 0.344 138 F C 2.282 177.847 175.800 -0.391 0.000 1.155 138 F CA 0.415 58.064 58.000 -0.585 0.000 1.302 138 F CB 0.481 39.049 39.000 -0.720 0.000 1.159 138 F HN 0.208 nan 8.300 nan 0.000 0.595 139 T N -3.320 111.244 114.554 0.017 0.000 3.051 139 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 139 T C 1.707 176.434 174.700 0.045 0.000 1.127 139 T CA 0.932 63.039 62.100 0.013 0.000 1.107 139 T CB -0.567 68.317 68.868 0.026 0.000 0.898 139 T HN 0.592 nan 8.240 nan 0.000 0.517 140 S N -0.437 115.299 115.700 0.061 0.000 2.527 140 S HA 0.082 4.552 4.470 -0.000 0.000 0.222 140 S C 0.264 175.078 174.600 0.357 0.000 0.985 140 S CA -0.554 57.741 58.200 0.158 0.000 0.921 140 S CB -0.656 62.609 63.200 0.107 0.000 0.772 140 S HN 0.422 nan 8.310 nan 0.000 0.529 141 Y N 3.371 123.719 120.300 0.080 0.000 2.442 141 Y HA 0.463 5.013 4.550 -0.000 0.000 0.330 141 Y C -2.149 173.723 175.900 -0.047 0.000 1.129 141 Y CA -3.266 54.796 58.100 -0.063 0.000 1.365 141 Y CB -0.584 37.801 38.460 -0.124 0.000 1.233 141 Y HN 0.141 nan 8.280 nan 0.000 0.529 142 P HA 0.067 nan 4.420 nan 0.000 0.271 142 P C 1.025 178.318 177.300 -0.011 0.000 1.233 142 P CA -0.138 62.971 63.100 0.015 0.000 0.789 142 P CB 0.832 32.514 31.700 -0.029 0.000 0.951 143 L N 0.465 121.683 121.223 -0.008 0.000 2.021 143 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 143 L C 2.598 179.434 176.870 -0.057 0.000 1.074 143 L CA 1.828 56.656 54.840 -0.019 0.000 0.760 143 L CB -0.678 41.374 42.059 -0.011 0.000 0.889 143 L HN 0.471 nan 8.230 nan 0.000 0.433 144 R N 0.414 120.868 120.500 -0.078 0.000 2.083 144 R HA -0.233 4.107 4.340 -0.000 0.000 0.237 144 R C 2.529 178.725 176.300 -0.172 0.000 1.137 144 R CA 1.983 58.018 56.100 -0.108 0.000 0.951 144 R CB -0.236 30.001 30.300 -0.106 0.000 0.851 144 R HN 0.235 nan 8.270 nan 0.000 0.434 145 R N 0.230 120.582 120.500 -0.247 0.000 2.075 145 R HA -0.139 4.200 4.340 -0.000 0.000 0.232 145 R C 2.356 178.447 176.300 -0.347 0.000 1.126 145 R CA 1.365 57.209 56.100 -0.426 0.000 0.963 145 R CB -0.388 29.471 30.300 -0.735 0.000 0.858 145 R HN 0.271 nan 8.270 nan 0.000 0.435 146 L N 1.592 122.744 121.223 -0.119 0.000 1.997 146 L HA -0.268 4.072 4.340 -0.000 0.000 0.216 146 L C 2.147 178.970 176.870 -0.078 0.000 1.074 146 L CA 1.952 56.803 54.840 0.019 0.000 0.763 146 L CB -0.563 41.520 42.059 0.041 0.000 0.890 146 L HN 0.285 nan 8.230 nan 0.000 0.434 147 Q N -0.945 118.799 119.800 -0.094 0.000 2.084 147 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 147 Q C 2.134 178.053 176.000 -0.134 0.000 0.978 147 Q CA 1.858 57.605 55.803 -0.093 0.000 0.844 147 Q CB -0.138 28.555 28.738 -0.074 0.000 0.898 147 Q HN 0.647 nan 8.270 nan 0.000 0.426 148 E N 0.639 120.731 120.200 -0.179 0.000 2.038 148 E HA -0.265 4.085 4.350 -0.000 0.000 0.195 148 E C 2.061 178.480 176.600 -0.303 0.000 1.000 148 E CA 1.192 57.459 56.400 -0.220 0.000 0.803 148 E CB -0.072 29.480 29.700 -0.246 0.000 0.750 148 E HN 0.310 nan 8.360 nan 0.000 0.448 149 Q N 0.494 120.060 119.800 -0.390 0.000 2.050 149 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 149 Q C 2.273 177.830 176.000 -0.738 0.000 0.980 149 Q CA 1.198 56.617 55.803 -0.640 0.000 0.840 149 Q CB 0.039 28.419 28.738 -0.596 0.000 0.898 149 Q HN 0.280 nan 8.270 nan 0.000 0.424 150 L N -0.761 120.256 121.223 -0.344 0.000 2.072 150 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 150 L C 2.486 179.339 176.870 -0.028 0.000 1.079 150 L CA 0.914 55.710 54.840 -0.072 0.000 0.752 150 L CB -0.942 41.136 42.059 0.031 0.000 0.906 150 L HN 0.389 nan 8.230 nan 0.000 0.436 151 G N 0.396 109.144 108.800 -0.087 0.000 2.476 151 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 151 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 151 G C 1.588 176.449 174.900 -0.065 0.000 1.164 151 G CA 0.916 45.980 45.100 -0.060 0.000 0.768 151 G HN 0.477 nan 8.290 nan 0.000 0.560 152 G N 0.018 108.723 108.800 -0.159 0.000 2.491 152 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 152 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 152 G C 1.607 176.494 174.900 -0.021 0.000 1.180 152 G CA 1.069 46.076 45.100 -0.154 0.000 0.774 152 G HN 0.396 nan 8.290 nan 0.000 0.562 153 W N 1.164 122.455 121.300 -0.014 0.000 2.338 153 W HA 0.018 4.678 4.660 -0.000 0.000 0.304 153 W C 3.018 179.516 176.519 -0.036 0.000 1.212 153 W CA 1.028 58.361 57.345 -0.021 0.000 1.264 153 W CB -1.251 28.205 29.460 -0.007 0.000 1.142 153 W HN 0.359 nan 8.180 nan 0.000 0.512 154 A N 0.686 123.624 122.820 0.197 0.000 1.892 154 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 154 A C 2.248 179.866 177.584 0.055 0.000 1.188 154 A CA 3.116 55.211 52.037 0.095 0.000 0.631 154 A CB -1.194 17.841 19.000 0.059 0.000 0.822 154 A HN 0.160 nan 8.150 nan 0.000 0.447 155 A N -0.516 122.329 122.820 0.040 0.000 1.969 155 A HA 0.290 4.610 4.320 -0.000 0.000 0.218 155 A C 2.220 179.819 177.584 0.025 0.000 1.169 155 A CA 1.554 53.603 52.037 0.020 0.000 0.635 155 A CB -0.791 18.210 19.000 0.002 0.000 0.810 155 A HN 1.167 nan 8.150 nan 0.000 0.445 156 A N -1.261 121.588 122.820 0.047 0.000 2.258 156 A HA 0.382 4.702 4.320 -0.000 0.000 0.206 156 A C 1.725 179.319 177.584 0.017 0.000 1.222 156 A CA 1.165 53.226 52.037 0.041 0.000 0.822 156 A CB -1.313 17.735 19.000 0.079 0.000 0.804 156 A HN 1.877 nan 8.150 nan 0.000 0.483 157 G N -0.952 107.858 108.800 0.016 0.000 2.143 157 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 157 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 157 G C 0.068 174.957 174.900 -0.018 0.000 0.991 157 G CA 0.277 45.375 45.100 -0.003 0.000 0.689 157 G HN 0.574 nan 8.290 nan 0.000 0.522 158 I N 1.765 122.330 120.570 -0.008 0.000 2.281 158 I HA 0.236 4.406 4.170 -0.000 0.000 0.293 158 I C -1.092 175.020 176.117 -0.009 0.000 1.085 158 I CA -2.095 59.180 61.300 -0.040 0.000 1.257 158 I CB 1.270 39.215 38.000 -0.092 0.000 1.430 158 I HN -0.089 nan 8.210 nan 0.000 0.489 159 P HA 0.116 nan 4.420 nan 0.000 0.255 159 P C -0.291 176.996 177.300 -0.022 0.000 1.357 159 P CA 0.150 63.243 63.100 -0.011 0.000 0.839 159 P CB 0.170 31.862 31.700 -0.013 0.000 1.356 160 R N -0.049 120.429 120.500 -0.036 0.000 2.522 160 R HA 0.540 4.880 4.340 -0.000 0.000 0.283 160 R C -0.965 175.301 176.300 -0.057 0.000 1.074 160 R CA -0.820 55.235 56.100 -0.076 0.000 0.925 160 R CB 2.694 32.916 30.300 -0.129 0.000 1.205 160 R HN -0.145 nan 8.270 nan 0.000 0.436 161 V N -1.108 118.777 119.914 -0.049 0.000 2.925 161 V HA 0.677 4.797 4.120 -0.000 0.000 0.311 161 V C -0.923 175.148 176.094 -0.040 0.000 1.104 161 V CA -0.991 61.324 62.300 0.024 0.000 0.954 161 V CB 2.273 34.206 31.823 0.184 0.000 1.022 161 V HN 0.695 nan 8.190 nan 0.000 0.427 162 K N 4.062 124.470 120.400 0.013 0.000 2.316 162 K HA 0.848 5.168 4.320 -0.000 0.000 0.251 162 K C -0.652 175.949 176.600 0.002 0.000 0.934 162 K CA -0.869 55.392 56.287 -0.043 0.000 0.802 162 K CB 2.044 34.517 32.500 -0.044 0.000 1.171 162 K HN 1.042 nan 8.250 nan 0.000 0.426 163 M N 0.831 120.396 119.600 -0.058 0.000 2.727 163 M HA 0.590 5.070 4.480 -0.000 0.000 0.300 163 M C -1.089 175.137 176.300 -0.124 0.000 1.246 163 M CA -1.073 54.158 55.300 -0.115 0.000 0.835 163 M CB 1.749 34.281 32.600 -0.112 0.000 1.755 163 M HN 0.128 nan 8.290 nan 0.000 0.473 164 K N 1.781 122.091 120.400 -0.150 0.000 2.118 164 K HA 0.724 5.044 4.320 -0.000 0.000 0.267 164 K C -0.524 176.013 176.600 -0.105 0.000 0.991 164 K CA -0.500 55.737 56.287 -0.084 0.000 0.916 164 K CB 2.035 34.522 32.500 -0.022 0.000 1.041 164 K HN 0.750 nan 8.250 nan 0.000 0.455 165 V N -3.370 116.487 119.914 -0.095 0.000 3.160 165 V HA 0.853 4.973 4.120 -0.000 0.000 0.310 165 V C 0.713 176.736 176.094 -0.117 0.000 1.181 165 V CA -0.148 62.094 62.300 -0.097 0.000 1.047 165 V CB 1.399 33.163 31.823 -0.099 0.000 1.068 165 V HN 0.859 nan 8.190 nan 0.000 0.441 166 G N 0.796 109.529 108.800 -0.111 0.000 2.194 166 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.236 166 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.236 166 G C 0.946 175.779 174.900 -0.113 0.000 0.987 166 G CA 0.846 45.818 45.100 -0.214 0.000 0.635 166 G HN 1.074 nan 8.290 nan 0.000 0.520 167 R N 0.625 121.093 120.500 -0.054 0.000 2.073 167 R HA 0.116 4.456 4.340 -0.000 0.000 0.229 167 R C 0.445 176.754 176.300 0.014 0.000 1.120 167 R CA 1.587 57.682 56.100 -0.008 0.000 0.967 167 R CB 0.004 30.313 30.300 0.014 0.000 0.862 167 R HN 0.456 nan 8.270 nan 0.000 0.436 168 E N -0.557 119.650 120.200 0.012 0.000 2.675 168 E HA 0.159 4.509 4.350 -0.000 0.000 0.236 168 E C -2.227 174.390 176.600 0.027 0.000 1.059 168 E CA -1.811 54.609 56.400 0.033 0.000 0.775 168 E CB 2.037 31.760 29.700 0.039 0.000 1.356 168 E HN 0.132 nan 8.360 nan 0.000 0.403 169 P HA -0.207 nan 4.420 nan 0.000 0.218 169 P C 0.641 177.982 177.300 0.068 0.000 1.148 169 P CA 1.176 64.246 63.100 -0.049 0.000 0.822 169 P CB 0.368 32.135 31.700 0.112 0.000 0.784 170 E N -0.380 119.918 120.200 0.164 0.000 2.160 170 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 170 E C 1.724 178.416 176.600 0.152 0.000 0.991 170 E CA 1.086 57.600 56.400 0.190 0.000 0.810 170 E CB -0.654 29.127 29.700 0.135 0.000 0.742 170 E HN 0.166 nan 8.360 nan 0.000 0.466 171 K N 0.594 121.054 120.400 0.100 0.000 2.365 171 K HA -0.005 4.314 4.320 -0.000 0.000 0.197 171 K C 1.054 177.707 176.600 0.088 0.000 1.042 171 K CA 0.524 56.862 56.287 0.084 0.000 0.987 171 K CB -0.003 32.531 32.500 0.057 0.000 0.779 171 K HN 0.142 nan 8.250 nan 0.000 0.484 172 D N 0.567 121.012 120.400 0.076 0.000 2.144 172 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 172 D C -0.973 175.464 176.300 0.229 0.000 0.984 172 D CA 0.950 55.008 54.000 0.096 0.000 0.834 172 D CB -1.148 39.685 40.800 0.056 0.000 0.955 172 D HN 0.134 nan 8.370 nan 0.000 0.465 173 P HA -0.140 nan 4.420 nan 0.000 0.215 173 P C 1.400 178.814 177.300 0.191 0.000 1.157 173 P CA 1.241 64.542 63.100 0.335 0.000 0.874 173 P CB 0.027 31.923 31.700 0.325 0.000 0.790 174 E N -0.517 119.767 120.200 0.140 0.000 2.110 174 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 174 E C 2.090 178.726 176.600 0.059 0.000 0.988 174 E CA 0.828 57.281 56.400 0.089 0.000 0.804 174 E CB -0.067 29.677 29.700 0.074 0.000 0.745 174 E HN 0.101 nan 8.360 nan 0.000 0.458 175 R N -0.005 120.525 120.500 0.050 0.000 2.073 175 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 175 R C 2.634 178.925 176.300 -0.015 0.000 1.134 175 R CA 1.706 57.812 56.100 0.009 0.000 0.952 175 R CB -0.447 29.847 30.300 -0.010 0.000 0.850 175 R HN 0.230 nan 8.270 nan 0.000 0.433 176 V N -1.003 118.899 119.914 -0.019 0.000 2.548 176 V HA -0.128 3.992 4.120 -0.000 0.000 0.249 176 V C 2.042 178.138 176.094 0.002 0.000 1.055 176 V CA 1.318 63.584 62.300 -0.056 0.000 1.065 176 V CB -0.562 31.188 31.823 -0.122 0.000 0.681 176 V HN 0.178 nan 8.190 nan 0.000 0.462 177 R N 1.062 121.588 120.500 0.043 0.000 2.075 177 R HA 0.050 4.390 4.340 -0.000 0.000 0.232 177 R C 2.610 178.923 176.300 0.021 0.000 1.126 177 R CA 1.490 57.616 56.100 0.043 0.000 0.963 177 R CB -0.721 29.614 30.300 0.059 0.000 0.858 177 R HN 0.610 nan 8.270 nan 0.000 0.435 178 A N 1.504 124.332 122.820 0.014 0.000 1.877 178 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 178 A C 2.412 179.990 177.584 -0.010 0.000 1.186 178 A CA 1.760 53.798 52.037 0.001 0.000 0.620 178 A CB -0.704 18.295 19.000 -0.002 0.000 0.822 178 A HN 0.393 nan 8.150 nan 0.000 0.443 179 A N -0.075 122.735 122.820 -0.017 0.000 1.883 179 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 179 A C 2.201 179.777 177.584 -0.013 0.000 1.186 179 A CA 2.390 54.413 52.037 -0.022 0.000 0.624 179 A CB -0.489 18.490 19.000 -0.035 0.000 0.822 179 A HN 0.499 nan 8.150 nan 0.000 0.444 180 R N 0.040 120.535 120.500 -0.008 0.000 2.096 180 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 180 R C 1.926 178.226 176.300 0.001 0.000 1.127 180 R CA 2.064 58.164 56.100 -0.000 0.000 0.968 180 R CB -0.568 29.738 30.300 0.009 0.000 0.861 180 R HN 0.482 nan 8.270 nan 0.000 0.440 181 E N 0.026 120.227 120.200 0.001 0.000 2.106 181 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 181 E C 1.707 178.303 176.600 -0.007 0.000 0.984 181 E CA 1.638 58.038 56.400 -0.000 0.000 0.806 181 E CB -0.398 29.303 29.700 0.001 0.000 0.750 181 E HN 0.408 nan 8.360 nan 0.000 0.458 182 A N 0.780 123.592 122.820 -0.013 0.000 1.930 182 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 182 A C 2.268 179.844 177.584 -0.014 0.000 1.175 182 A CA 1.593 53.617 52.037 -0.020 0.000 0.627 182 A CB -0.774 18.206 19.000 -0.034 0.000 0.815 182 A HN 0.506 nan 8.150 nan 0.000 0.443 183 I N -4.504 116.062 120.570 -0.006 0.000 3.462 183 I HA 0.462 4.632 4.170 -0.000 0.000 0.290 183 I C 1.077 177.195 176.117 0.002 0.000 1.236 183 I CA 0.494 61.795 61.300 0.002 0.000 1.418 183 I CB -0.594 37.413 38.000 0.012 0.000 1.102 183 I HN 0.450 nan 8.210 nan 0.000 0.441 184 G N 2.206 111.006 108.800 0.001 0.000 2.760 184 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.246 184 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.246 184 G C 0.182 175.084 174.900 0.004 0.000 1.359 184 G CA 0.132 45.233 45.100 0.002 0.000 0.861 184 G HN 0.316 nan 8.290 nan 0.000 0.541 185 E N -0.083 120.119 120.200 0.004 0.000 2.427 185 E HA -0.006 4.344 4.350 -0.000 0.000 0.196 185 E C 2.593 179.195 176.600 0.003 0.000 1.028 185 E CA 1.306 57.709 56.400 0.005 0.000 0.864 185 E CB -0.038 29.665 29.700 0.005 0.000 0.813 185 E HN 0.804 nan 8.360 nan 0.000 0.514 186 S N -0.553 115.149 115.700 0.003 0.000 2.575 186 S HA 0.140 4.610 4.470 -0.000 0.000 0.215 186 S C 0.669 175.270 174.600 0.001 0.000 0.966 186 S CA -0.414 57.787 58.200 0.002 0.000 0.911 186 S CB 0.274 63.475 63.200 0.001 0.000 0.780 186 S HN -0.132 nan 8.310 nan 0.000 0.514 187 V N 1.862 121.776 119.914 0.001 0.000 2.513 187 V HA 0.416 4.536 4.120 -0.000 0.000 0.299 187 V C -0.033 176.057 176.094 -0.008 0.000 1.035 187 V CA -0.987 61.313 62.300 -0.000 0.000 0.889 187 V CB 1.766 33.595 31.823 0.010 0.000 0.988 187 V HN 0.457 nan 8.190 nan 0.000 0.440 188 E N 2.934 123.122 120.200 -0.021 0.000 2.316 188 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 188 E C -1.308 175.261 176.600 -0.051 0.000 1.029 188 E CA -0.577 55.801 56.400 -0.036 0.000 0.871 188 E CB 1.176 30.843 29.700 -0.054 0.000 1.022 188 E HN 0.462 nan 8.360 nan 0.000 0.418 189 L N 5.823 127.022 121.223 -0.040 0.000 2.305 189 L HA 0.421 4.761 4.340 -0.000 0.000 0.284 189 L C -1.116 175.721 176.870 -0.055 0.000 1.013 189 L CA -0.121 54.691 54.840 -0.047 0.000 0.819 189 L CB 1.116 43.158 42.059 -0.029 0.000 1.227 189 L HN 0.657 nan 8.230 nan 0.000 0.417 190 M N 5.671 125.211 119.600 -0.099 0.000 2.535 190 M HA 0.741 5.221 4.480 -0.000 0.000 0.314 190 M C -0.779 175.503 176.300 -0.030 0.000 1.153 190 M CA -0.966 54.286 55.300 -0.079 0.000 0.924 190 M CB 2.318 34.655 32.600 -0.438 0.000 1.710 190 M HN 0.436 nan 8.290 nan 0.000 0.451 191 V N -1.807 118.155 119.914 0.081 0.000 3.040 191 V HA 0.825 4.945 4.120 -0.000 0.000 0.312 191 V C -1.859 174.290 176.094 0.092 0.000 1.115 191 V CA -0.541 61.763 62.300 0.006 0.000 0.998 191 V CB 2.245 33.979 31.823 -0.149 0.000 1.042 191 V HN 0.854 nan 8.190 nan 0.000 0.433 192 D N 1.841 122.264 120.400 0.038 0.000 2.696 192 D HA 0.752 5.392 4.640 -0.000 0.000 0.251 192 D C 0.319 176.619 176.300 -0.000 0.000 1.188 192 D CA 0.136 54.168 54.000 0.052 0.000 0.876 192 D CB 2.219 43.062 40.800 0.071 0.000 1.334 192 D HN 0.917 nan 8.370 nan 0.000 0.540 193 A N 3.621 126.425 122.820 -0.027 0.000 2.267 193 A HA 0.118 4.438 4.320 -0.000 0.000 0.213 193 A C 0.807 178.308 177.584 -0.139 0.000 1.192 193 A CA -0.104 51.832 52.037 -0.169 0.000 0.851 193 A CB -0.356 18.446 19.000 -0.329 0.000 0.881 193 A HN 0.746 nan 8.150 nan 0.000 0.494 194 N N -0.511 118.168 118.700 -0.034 0.000 2.707 194 N HA -0.238 4.501 4.740 -0.000 0.000 0.253 194 N C 0.876 176.383 175.510 -0.006 0.000 0.998 194 N CA 1.146 54.206 53.050 0.015 0.000 0.751 194 N CB -1.374 37.153 38.487 0.067 0.000 0.920 194 N HN 1.303 nan 8.380 nan 0.000 0.539 195 G N -1.709 107.072 108.800 -0.032 0.000 2.148 195 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 195 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 195 G C 0.970 175.841 174.900 -0.049 0.000 0.981 195 G CA 0.799 45.890 45.100 -0.014 0.000 0.670 195 G HN 0.848 nan 8.290 nan 0.000 0.528 196 A N -1.319 121.397 122.820 -0.174 0.000 2.066 196 A HA 0.500 4.820 4.320 -0.000 0.000 0.218 196 A C 0.892 178.435 177.584 -0.067 0.000 1.157 196 A CA 1.093 53.011 52.037 -0.198 0.000 0.670 196 A CB -0.062 18.713 19.000 -0.375 0.000 0.804 196 A HN 0.645 nan 8.150 nan 0.000 0.453 197 Y N 0.053 120.401 120.300 0.079 0.000 2.453 197 Y HA 0.463 5.013 4.550 -0.000 0.000 0.326 197 Y C 1.227 177.180 175.900 0.089 0.000 1.186 197 Y CA -1.230 56.934 58.100 0.107 0.000 1.200 197 Y CB 0.585 39.136 38.460 0.152 0.000 1.247 197 Y HN 0.134 nan 8.280 nan 0.000 0.482 198 T N -1.916 112.800 114.554 0.270 0.000 2.816 198 T HA 0.317 4.667 4.350 -0.000 0.000 0.282 198 T C 1.151 175.941 174.700 0.150 0.000 0.993 198 T CA -0.607 61.590 62.100 0.161 0.000 0.994 198 T CB 0.840 69.775 68.868 0.110 0.000 1.025 198 T HN 0.660 nan 8.240 nan 0.000 0.529 199 R N 0.273 120.831 120.500 0.097 0.000 2.080 199 R HA -0.062 4.278 4.340 -0.000 0.000 0.236 199 R C 2.459 178.790 176.300 0.051 0.000 1.137 199 R CA 1.283 57.427 56.100 0.073 0.000 0.943 199 R CB -0.213 30.115 30.300 0.047 0.000 0.846 199 R HN 0.450 nan 8.270 nan 0.000 0.431 200 K N 0.737 121.158 120.400 0.034 0.000 2.217 200 K HA -0.130 4.190 4.320 -0.000 0.000 0.202 200 K C 1.982 178.582 176.600 -0.001 0.000 1.051 200 K CA 1.055 57.347 56.287 0.009 0.000 0.952 200 K CB -0.058 32.440 32.500 -0.004 0.000 0.736 200 K HN 0.323 nan 8.250 nan 0.000 0.453 201 Q N 0.182 119.998 119.800 0.025 0.000 2.049 201 Q HA -0.079 4.261 4.340 -0.000 0.000 0.198 201 Q C 1.943 177.908 176.000 -0.058 0.000 0.971 201 Q CA 1.379 57.190 55.803 0.015 0.000 0.833 201 Q CB -0.053 28.759 28.738 0.123 0.000 0.896 201 Q HN 0.223 nan 8.270 nan 0.000 0.434 202 A N 1.033 123.840 122.820 -0.022 0.000 1.892 202 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 202 A C 1.997 179.562 177.584 -0.031 0.000 1.188 202 A CA 1.639 53.670 52.037 -0.011 0.000 0.631 202 A CB -0.907 18.203 19.000 0.183 0.000 0.822 202 A HN 0.498 nan 8.150 nan 0.000 0.447 203 L N -1.699 119.508 121.223 -0.026 0.000 2.046 203 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 203 L C 2.294 179.080 176.870 -0.140 0.000 1.077 203 L CA 2.419 57.225 54.840 -0.055 0.000 0.747 203 L CB -0.973 41.066 42.059 -0.033 0.000 0.896 203 L HN 0.541 nan 8.230 nan 0.000 0.432 204 Y N -1.047 119.081 120.300 -0.287 0.000 2.097 204 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 204 Y C 2.080 177.630 175.900 -0.582 0.000 1.152 204 Y CA 2.100 59.919 58.100 -0.469 0.000 1.136 204 Y CB -0.836 37.240 38.460 -0.639 0.000 0.975 204 Y HN 0.241 nan 8.280 nan 0.000 0.498 205 W N 0.002 120.974 121.300 -0.546 0.000 2.402 205 W HA -0.106 4.554 4.660 -0.000 0.000 0.286 205 W C 2.688 178.833 176.519 -0.623 0.000 1.221 205 W CA 1.406 58.260 57.345 -0.818 0.000 1.257 205 W CB -0.603 28.333 29.460 -0.874 0.000 1.120 205 W HN 0.189 nan 8.180 nan 0.000 0.551 206 A N 0.696 123.451 122.820 -0.108 0.000 1.883 206 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 206 A C 2.236 179.771 177.584 -0.081 0.000 1.186 206 A CA 2.127 54.168 52.037 0.006 0.000 0.624 206 A CB -1.548 17.457 19.000 0.009 0.000 0.822 206 A HN 0.320 nan 8.150 nan 0.000 0.444 207 G N -0.616 108.044 108.800 -0.234 0.000 2.421 207 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.216 207 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.216 207 G C 1.793 176.522 174.900 -0.286 0.000 1.171 207 G CA 1.689 46.637 45.100 -0.253 0.000 0.775 207 G HN 0.827 nan 8.290 nan 0.000 0.543 208 A N 0.598 123.092 122.820 -0.543 0.000 1.858 208 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 208 A C 2.190 179.733 177.584 -0.067 0.000 1.190 208 A CA 1.676 53.435 52.037 -0.464 0.000 0.617 208 A CB -0.646 17.819 19.000 -0.891 0.000 0.827 208 A HN 0.246 nan 8.150 nan 0.000 0.443 209 F N 0.305 120.290 119.950 0.059 0.000 2.126 209 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 209 F C 2.855 178.678 175.800 0.039 0.000 1.096 209 F CA 0.402 58.461 58.000 0.099 0.000 1.255 209 F CB -1.249 37.832 39.000 0.135 0.000 0.997 209 F HN 0.281 nan 8.300 nan 0.000 0.479 210 A N 0.348 123.280 122.820 0.187 0.000 1.865 210 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 210 A C 2.415 180.035 177.584 0.062 0.000 1.191 210 A CA 1.911 54.005 52.037 0.094 0.000 0.623 210 A CB -0.777 18.248 19.000 0.041 0.000 0.826 210 A HN 0.320 nan 8.150 nan 0.000 0.444 211 R N -0.537 119.979 120.500 0.026 0.000 2.081 211 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 211 R C 2.185 178.515 176.300 0.051 0.000 1.131 211 R CA 1.726 57.836 56.100 0.016 0.000 0.960 211 R CB -0.322 29.964 30.300 -0.024 0.000 0.856 211 R HN 0.700 nan 8.270 nan 0.000 0.436 212 E N -0.430 119.828 120.200 0.097 0.000 2.072 212 E HA -0.065 4.285 4.350 -0.000 0.000 0.190 212 E C 1.101 177.764 176.600 0.106 0.000 0.982 212 E CA 1.264 57.739 56.400 0.124 0.000 0.803 212 E CB 0.230 30.057 29.700 0.212 0.000 0.755 212 E HN 0.349 nan 8.360 nan 0.000 0.453 213 A N -0.760 122.127 122.820 0.112 0.000 2.704 213 A HA 0.448 4.768 4.320 -0.000 0.000 0.260 213 A C 1.060 178.676 177.584 0.054 0.000 1.144 213 A CA 0.270 52.349 52.037 0.071 0.000 0.985 213 A CB 0.450 19.483 19.000 0.055 0.000 1.256 213 A HN 0.208 nan 8.150 nan 0.000 0.598 214 G N 1.355 110.194 108.800 0.064 0.000 2.273 214 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.280 214 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.280 214 G C 0.311 175.239 174.900 0.047 0.000 1.047 214 G CA 0.441 45.570 45.100 0.048 0.000 0.869 214 G HN 1.733 nan 8.290 nan 0.000 0.502 215 I N -1.897 118.713 120.570 0.067 0.000 2.892 215 I HA 0.527 4.697 4.170 -0.000 0.000 0.287 215 I C 1.085 177.243 176.117 0.068 0.000 1.205 215 I CA 0.513 61.850 61.300 0.060 0.000 1.409 215 I CB 1.080 39.124 38.000 0.073 0.000 1.367 215 I HN 0.414 nan 8.210 nan 0.000 0.597 216 S N 3.124 118.869 115.700 0.074 0.000 2.780 216 S HA 0.282 4.752 4.470 -0.000 0.000 0.248 216 S C -0.288 174.400 174.600 0.147 0.000 1.036 216 S CA -0.381 57.868 58.200 0.081 0.000 1.061 216 S CB -0.291 62.942 63.200 0.055 0.000 1.037 216 S HN 0.850 nan 8.310 nan 0.000 0.584 217 Y N 0.495 120.777 120.300 -0.029 0.000 2.390 217 Y HA 0.614 5.164 4.550 -0.000 0.000 0.324 217 Y C -2.313 173.574 175.900 -0.023 0.000 1.151 217 Y CA -1.155 56.917 58.100 -0.046 0.000 1.053 217 Y CB 1.456 39.849 38.460 -0.111 0.000 1.277 217 Y HN 0.213 nan 8.280 nan 0.000 0.432 218 L N 6.461 127.510 121.223 -0.290 0.000 2.404 218 L HA 0.539 4.879 4.340 -0.000 0.000 0.272 218 L C -1.327 175.367 176.870 -0.293 0.000 0.980 218 L CA -0.311 54.445 54.840 -0.139 0.000 0.836 218 L CB 1.724 43.809 42.059 0.043 0.000 1.238 218 L HN 0.740 nan 8.230 nan 0.000 0.408 219 E N 4.117 124.206 120.200 -0.185 0.000 2.191 219 E HA 0.256 4.606 4.350 -0.000 0.000 0.278 219 E C -0.510 176.059 176.600 -0.052 0.000 0.972 219 E CA -0.361 55.938 56.400 -0.169 0.000 0.804 219 E CB 0.872 30.583 29.700 0.019 0.000 1.110 219 E HN 0.655 nan 8.360 nan 0.000 0.394 220 E N 2.824 122.988 120.200 -0.060 0.000 2.228 220 E HA -0.163 4.187 4.350 -0.000 0.000 0.213 220 E C -1.784 174.828 176.600 0.020 0.000 1.282 220 E CA 0.262 56.652 56.400 -0.016 0.000 0.707 220 E CB -0.426 29.270 29.700 -0.007 0.000 1.150 220 E HN 0.540 nan 8.360 nan 0.000 0.362 221 P HA -0.146 nan 4.420 nan 0.000 0.215 221 P C 1.003 178.414 177.300 0.184 0.000 1.153 221 P CA 1.746 64.959 63.100 0.188 0.000 0.853 221 P CB -0.025 31.793 31.700 0.196 0.000 0.788 222 V N -4.840 115.141 119.914 0.112 0.000 3.166 222 V HA 0.528 4.648 4.120 -0.000 0.000 0.317 222 V C 1.787 177.915 176.094 0.057 0.000 1.136 222 V CA -0.159 62.201 62.300 0.101 0.000 1.035 222 V CB 0.733 32.611 31.823 0.092 0.000 1.110 222 V HN -0.081 nan 8.190 nan 0.000 0.450 223 S N 1.135 116.864 115.700 0.049 0.000 2.423 223 S HA -0.204 4.266 4.470 -0.000 0.000 0.238 223 S C 1.830 176.447 174.600 0.029 0.000 1.028 223 S CA 3.505 61.723 58.200 0.029 0.000 1.000 223 S CB -1.124 62.090 63.200 0.023 0.000 0.797 223 S HN 2.794 nan 8.310 nan 0.000 0.487 224 S N -0.558 115.161 115.700 0.033 0.000 2.206 224 S HA -0.291 4.179 4.470 -0.000 0.000 0.241 224 S C 0.927 175.548 174.600 0.034 0.000 1.163 224 S CA 1.510 59.730 58.200 0.034 0.000 1.532 224 S CB -2.585 60.652 63.200 0.060 0.000 1.946 224 S HN 0.783 nan 8.310 nan 0.000 0.590 225 E N 0.500 120.716 120.200 0.027 0.000 2.265 225 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 225 E C 0.498 177.114 176.600 0.026 0.000 0.996 225 E CA 0.777 57.194 56.400 0.028 0.000 0.832 225 E CB -0.219 29.492 29.700 0.019 0.000 0.756 225 E HN 0.751 nan 8.360 nan 0.000 0.491 226 D N 0.754 121.169 120.400 0.024 0.000 2.619 226 D HA 0.040 4.680 4.640 -0.000 0.000 0.224 226 D C 0.758 177.069 176.300 0.018 0.000 1.133 226 D CA -0.028 53.986 54.000 0.024 0.000 1.017 226 D CB 0.013 40.831 40.800 0.030 0.000 1.077 226 D HN -0.015 nan 8.370 nan 0.000 0.503 227 R N 1.031 121.539 120.500 0.014 0.000 2.096 227 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 227 R C 1.582 177.884 176.300 0.002 0.000 1.127 227 R CA 1.066 57.168 56.100 0.004 0.000 0.968 227 R CB 0.075 30.375 30.300 0.001 0.000 0.861 227 R HN 0.286 nan 8.270 nan 0.000 0.440 228 E N 0.420 120.625 120.200 0.009 0.000 2.106 228 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 228 E C 1.866 178.472 176.600 0.011 0.000 0.984 228 E CA 1.670 58.075 56.400 0.009 0.000 0.806 228 E CB -0.422 29.285 29.700 0.012 0.000 0.750 228 E HN 0.318 nan 8.360 nan 0.000 0.458 229 G N 0.576 109.387 108.800 0.017 0.000 2.421 229 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 229 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 229 G C 1.608 176.519 174.900 0.019 0.000 1.143 229 G CA 0.684 45.798 45.100 0.023 0.000 0.784 229 G HN 0.288 nan 8.290 nan 0.000 0.541 230 L N -0.269 120.961 121.223 0.011 0.000 1.989 230 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 230 L C 2.968 179.833 176.870 -0.009 0.000 1.071 230 L CA 1.548 56.387 54.840 -0.001 0.000 0.749 230 L CB -0.392 41.658 42.059 -0.015 0.000 0.890 230 L HN 0.193 nan 8.230 nan 0.000 0.431 231 R N 0.283 120.777 120.500 -0.010 0.000 2.103 231 R HA -0.239 4.100 4.340 -0.000 0.000 0.242 231 R C 2.380 178.676 176.300 -0.007 0.000 1.142 231 R CA 1.729 57.823 56.100 -0.011 0.000 0.960 231 R CB -0.346 29.949 30.300 -0.009 0.000 0.858 231 R HN 0.314 nan 8.270 nan 0.000 0.439 232 L N 0.636 121.858 121.223 -0.001 0.000 2.083 232 L HA -0.144 4.195 4.340 -0.000 0.000 0.209 232 L C 2.021 178.890 176.870 -0.002 0.000 1.083 232 L CA 1.302 56.142 54.840 0.000 0.000 0.752 232 L CB -0.092 41.970 42.059 0.006 0.000 0.899 232 L HN 0.229 nan 8.230 nan 0.000 0.433 233 L N -0.549 120.675 121.223 0.001 0.000 2.109 233 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 233 L C 2.826 179.689 176.870 -0.012 0.000 1.086 233 L CA 0.812 55.652 54.840 -0.001 0.000 0.760 233 L CB -0.621 41.445 42.059 0.013 0.000 0.910 233 L HN 0.261 nan 8.230 nan 0.000 0.437 234 R N 0.494 120.983 120.500 -0.018 0.000 2.096 234 R HA -0.204 4.136 4.340 -0.000 0.000 0.240 234 R C 1.621 177.910 176.300 -0.018 0.000 1.139 234 R CA 2.190 58.276 56.100 -0.024 0.000 0.952 234 R CB -0.522 29.762 30.300 -0.027 0.000 0.854 234 R HN 0.346 nan 8.270 nan 0.000 0.436 235 D N -0.259 120.133 120.400 -0.013 0.000 2.183 235 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 235 D C 1.689 177.981 176.300 -0.012 0.000 0.969 235 D CA 0.899 54.892 54.000 -0.011 0.000 0.842 235 D CB 0.094 40.890 40.800 -0.008 0.000 0.957 235 D HN 0.169 nan 8.370 nan 0.000 0.484 236 R N 0.132 120.624 120.500 -0.014 0.000 2.373 236 R HA 0.257 4.596 4.340 -0.000 0.000 0.221 236 R C 1.167 177.453 176.300 -0.023 0.000 0.893 236 R CA -0.088 56.002 56.100 -0.017 0.000 1.049 236 R CB -0.243 30.048 30.300 -0.016 0.000 1.119 236 R HN -0.019 nan 8.270 nan 0.000 0.535 237 G N 3.415 112.202 108.800 -0.021 0.000 2.664 237 G HA2 0.221 4.181 3.960 -0.000 0.000 0.242 237 G HA3 0.221 4.181 3.960 -0.000 0.000 0.242 237 G C -2.125 172.760 174.900 -0.025 0.000 1.225 237 G CA -0.525 44.561 45.100 -0.024 0.000 0.849 237 G HN -0.014 nan 8.290 nan 0.000 0.581 238 P HA 0.261 nan 4.420 nan 0.000 0.274 238 P C 0.563 177.854 177.300 -0.014 0.000 1.231 238 P CA -0.133 62.953 63.100 -0.024 0.000 0.790 238 P CB 0.693 32.377 31.700 -0.028 0.000 0.951 239 G N 0.342 109.134 108.800 -0.012 0.000 2.414 239 G HA2 0.300 4.260 3.960 -0.000 0.000 0.236 239 G HA3 0.300 4.260 3.960 -0.000 0.000 0.236 239 G C 1.036 175.936 174.900 -0.000 0.000 1.293 239 G CA 0.282 45.378 45.100 -0.007 0.000 0.869 239 G HN 0.898 nan 8.290 nan 0.000 0.556 240 G N -0.166 108.636 108.800 0.003 0.000 2.199 240 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 240 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 240 G C 0.256 175.168 174.900 0.021 0.000 0.982 240 G CA 0.391 45.498 45.100 0.011 0.000 0.632 240 G HN 1.447 nan 8.290 nan 0.000 0.529 241 V N 1.701 121.623 119.914 0.014 0.000 2.293 241 V HA 0.731 4.851 4.120 -0.000 0.000 0.275 241 V C 0.787 176.873 176.094 -0.014 0.000 1.021 241 V CA -0.417 61.894 62.300 0.019 0.000 0.815 241 V CB 0.982 32.821 31.823 0.026 0.000 1.025 241 V HN 1.049 nan 8.190 nan 0.000 0.448 242 A N 6.809 129.617 122.820 -0.021 0.000 2.450 242 A HA 0.569 4.889 4.320 -0.000 0.000 0.255 242 A C -0.026 177.439 177.584 -0.200 0.000 1.096 242 A CA -0.219 51.769 52.037 -0.082 0.000 0.778 242 A CB 0.036 19.013 19.000 -0.039 0.000 1.031 242 A HN 0.636 nan 8.150 nan 0.000 0.494 243 I N 2.136 122.606 120.570 -0.166 0.000 2.325 243 I HA 0.433 4.603 4.170 -0.000 0.000 0.291 243 I C 0.649 176.615 176.117 -0.251 0.000 1.019 243 I CA 0.279 61.464 61.300 -0.192 0.000 1.302 243 I CB 0.469 38.410 38.000 -0.100 0.000 1.401 243 I HN 0.689 nan 8.210 nan 0.000 0.485 244 A N 5.507 128.108 122.820 -0.366 0.000 2.365 244 A HA 0.979 5.299 4.320 -0.000 0.000 0.318 244 A C -0.487 176.974 177.584 -0.206 0.000 1.091 244 A CA -0.337 51.501 52.037 -0.332 0.000 0.763 244 A CB 1.921 20.572 19.000 -0.583 0.000 1.248 244 A HN 0.889 nan 8.150 nan 0.000 0.442 245 A N -0.146 122.586 122.820 -0.145 0.000 2.564 245 A HA 0.861 5.181 4.320 -0.000 0.000 0.291 245 A C 0.302 177.803 177.584 -0.138 0.000 1.102 245 A CA -0.011 51.948 52.037 -0.129 0.000 0.660 245 A CB 0.385 19.329 19.000 -0.093 0.000 1.283 245 A HN 2.601 nan 8.150 nan 0.000 0.430 246 G N -0.631 108.062 108.800 -0.178 0.000 2.485 246 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.181 246 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.181 246 G C 0.701 175.389 174.900 -0.353 0.000 0.999 246 G CA 1.166 46.147 45.100 -0.199 0.000 0.721 246 G HN 1.492 nan 8.290 nan 0.000 0.486 247 E N -0.102 119.748 120.200 -0.582 0.000 2.219 247 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 247 E C 1.456 177.451 176.600 -1.009 0.000 0.998 247 E CA 1.410 57.240 56.400 -0.951 0.000 0.818 247 E CB -0.343 28.381 29.700 -1.628 0.000 0.741 247 E HN 0.572 nan 8.360 nan 0.000 0.477 248 Y N 0.826 120.828 120.300 -0.496 0.000 2.493 248 Y HA 0.307 4.857 4.550 -0.000 0.000 0.275 248 Y C -0.056 175.310 175.900 -0.890 0.000 1.183 248 Y CA -0.309 57.376 58.100 -0.691 0.000 1.258 248 Y CB 0.207 38.489 38.460 -0.297 0.000 1.108 248 Y HN -0.071 nan 8.280 nan 0.000 0.521 249 E N -0.468 119.413 120.200 -0.531 0.000 2.223 249 E HA 0.039 4.389 4.350 -0.000 0.000 0.282 249 E C -0.407 175.958 176.600 -0.391 0.000 1.046 249 E CA -0.042 56.160 56.400 -0.331 0.000 0.857 249 E CB 0.154 29.767 29.700 -0.144 0.000 1.055 249 E HN 0.369 nan 8.360 nan 0.000 0.409 250 W N 1.669 123.013 121.300 0.073 0.000 2.762 250 W HA 0.065 4.725 4.660 0.000 0.000 0.265 250 W C 0.726 177.296 176.519 0.085 0.000 1.263 250 W CA 0.267 57.654 57.345 0.070 0.000 1.411 250 W CB 0.299 29.790 29.460 0.050 0.000 1.065 250 W HN 0.391 nan 8.180 nan 0.000 0.609 251 T N -2.572 112.142 114.554 0.266 0.000 2.926 251 T HA 0.325 4.675 4.350 -0.000 0.000 0.289 251 T C 0.372 175.167 174.700 0.158 0.000 1.054 251 T CA -0.737 61.491 62.100 0.213 0.000 1.015 251 T CB 1.931 70.915 68.868 0.193 0.000 1.167 251 T HN -0.179 nan 8.240 nan 0.000 0.526 252 L N 1.325 122.646 121.223 0.163 0.000 2.046 252 L HA 0.221 4.561 4.340 -0.000 0.000 0.208 252 L C -0.912 176.037 176.870 0.131 0.000 1.077 252 L CA 1.320 56.237 54.840 0.128 0.000 0.747 252 L CB -1.691 40.442 42.059 0.124 0.000 0.896 252 L HN 0.560 nan 8.230 nan 0.000 0.432 253 P HA -0.157 nan 4.420 nan 0.000 0.220 253 P C 1.502 178.902 177.300 0.167 0.000 1.148 253 P CA 1.237 64.423 63.100 0.144 0.000 0.803 253 P CB 0.044 31.811 31.700 0.111 0.000 0.782 254 Q N -1.049 118.829 119.800 0.130 0.000 2.096 254 Q HA -0.030 4.310 4.340 -0.000 0.000 0.197 254 Q C 2.158 178.192 176.000 0.057 0.000 0.964 254 Q CA 0.920 56.782 55.803 0.098 0.000 0.838 254 Q CB -0.572 28.226 28.738 0.101 0.000 0.906 254 Q HN 0.274 nan 8.270 nan 0.000 0.444 255 L N -0.036 121.222 121.223 0.059 0.000 2.012 255 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 255 L C 2.554 179.420 176.870 -0.007 0.000 1.073 255 L CA 1.701 56.553 54.840 0.019 0.000 0.748 255 L CB -0.529 41.550 42.059 0.034 0.000 0.891 255 L HN 0.363 nan 8.230 nan 0.000 0.431 256 H N 0.125 119.184 119.070 -0.019 0.000 2.319 256 H HA -0.232 4.324 4.556 -0.000 0.000 0.297 256 H C 1.836 177.140 175.328 -0.039 0.000 1.097 256 H CA 2.317 58.355 56.048 -0.017 0.000 1.285 256 H CB -0.071 29.730 29.762 0.066 0.000 1.368 256 H HN 0.282 nan 8.280 nan 0.000 0.495 257 D N 0.086 120.379 120.400 -0.177 0.000 2.097 257 D HA -0.136 4.503 4.640 -0.000 0.000 0.195 257 D C 2.321 178.510 176.300 -0.186 0.000 0.989 257 D CA 1.076 54.960 54.000 -0.194 0.000 0.827 257 D CB -0.551 40.238 40.800 -0.018 0.000 0.966 257 D HN 0.328 nan 8.370 nan 0.000 0.456 258 L N 1.105 122.248 121.223 -0.132 0.000 2.042 258 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 258 L C 2.116 178.879 176.870 -0.179 0.000 1.076 258 L CA 1.580 56.348 54.840 -0.119 0.000 0.749 258 L CB -0.866 41.143 42.059 -0.084 0.000 0.893 258 L HN -0.011 nan 8.230 nan 0.000 0.432 259 A N -0.831 121.813 122.820 -0.294 0.000 2.084 259 A HA -0.116 4.204 4.320 -0.000 0.000 0.221 259 A C 2.158 179.546 177.584 -0.327 0.000 1.161 259 A CA 1.459 53.247 52.037 -0.415 0.000 0.653 259 A CB -1.323 17.192 19.000 -0.809 0.000 0.802 259 A HN 0.534 nan 8.150 nan 0.000 0.457 260 G N -2.303 106.352 108.800 -0.241 0.000 2.985 260 G HA2 0.094 4.054 3.960 -0.000 0.000 0.209 260 G HA3 0.094 4.054 3.960 -0.000 0.000 0.209 260 G C 0.853 175.722 174.900 -0.052 0.000 1.165 260 G CA 1.048 46.108 45.100 -0.067 0.000 0.776 260 G HN 0.549 nan 8.290 nan 0.000 0.541 261 C N 0.176 119.431 119.300 -0.075 0.000 3.336 261 C HA 0.493 4.952 4.460 -0.000 0.000 0.291 261 C C 0.782 175.740 174.990 -0.054 0.000 1.363 261 C CA -0.423 58.564 59.018 -0.052 0.000 1.737 261 C CB -0.971 26.740 27.740 -0.048 0.000 2.274 261 C HN 0.265 nan 8.230 nan 0.000 0.663 262 V N -2.206 117.668 119.914 -0.066 0.000 3.102 262 V HA 0.618 4.738 4.120 -0.000 0.000 0.312 262 V C -0.191 175.865 176.094 -0.063 0.000 1.135 262 V CA -0.362 61.895 62.300 -0.072 0.000 1.022 262 V CB 1.436 33.206 31.823 -0.089 0.000 1.056 262 V HN -0.030 nan 8.190 nan 0.000 0.436 263 D N 0.636 120.993 120.400 -0.072 0.000 2.213 263 D HA 0.259 4.899 4.640 -0.000 0.000 0.205 263 D C 0.364 176.632 176.300 -0.054 0.000 0.961 263 D CA 1.627 55.593 54.000 -0.057 0.000 0.853 263 D CB 0.586 41.350 40.800 -0.060 0.000 0.967 263 D HN 0.540 nan 8.370 nan 0.000 0.496 264 I N 0.961 121.486 120.570 -0.076 0.000 2.533 264 I HA 0.184 4.353 4.170 -0.000 0.000 0.290 264 I C -1.054 175.023 176.117 -0.068 0.000 1.056 264 I CA -0.952 60.313 61.300 -0.059 0.000 1.057 264 I CB 2.964 40.944 38.000 -0.033 0.000 1.240 264 I HN -0.223 nan 8.210 nan 0.000 0.423 265 L N 6.400 127.603 121.223 -0.034 0.000 2.307 265 L HA 0.501 4.841 4.340 -0.000 0.000 0.282 265 L C -0.641 176.198 176.870 -0.052 0.000 1.051 265 L CA 0.345 55.177 54.840 -0.013 0.000 0.804 265 L CB 1.194 43.286 42.059 0.054 0.000 1.197 265 L HN 0.571 nan 8.230 nan 0.000 0.431 266 Q N 3.092 122.847 119.800 -0.076 0.000 2.399 266 Q HA 0.918 5.258 4.340 -0.000 0.000 0.276 266 Q C -1.420 174.580 176.000 0.000 0.000 1.098 266 Q CA -1.059 54.647 55.803 -0.162 0.000 0.827 266 Q CB 2.333 30.977 28.738 -0.157 0.000 1.386 266 Q HN 0.832 nan 8.270 nan 0.000 0.443 267 A N 1.130 123.995 122.820 0.074 0.000 2.604 267 A HA 0.462 4.782 4.320 -0.000 0.000 0.295 267 A C -1.999 175.651 177.584 0.110 0.000 1.067 267 A CA -0.633 51.466 52.037 0.104 0.000 0.683 267 A CB 1.856 21.015 19.000 0.265 0.000 1.281 267 A HN 0.643 nan 8.150 nan 0.000 0.407 268 D N 1.480 121.899 120.400 0.033 0.000 2.381 268 D HA 0.271 4.911 4.640 -0.000 0.000 0.235 268 D C 0.831 177.181 176.300 0.084 0.000 1.068 268 D CA -0.151 53.907 54.000 0.096 0.000 0.832 268 D CB 1.964 42.815 40.800 0.085 0.000 1.101 268 D HN 0.340 nan 8.370 nan 0.000 0.515 269 V N 3.940 123.911 119.914 0.094 0.000 2.828 269 V HA -0.188 3.932 4.120 -0.000 0.000 0.260 269 V C 1.865 177.981 176.094 0.037 0.000 1.101 269 V CA 2.872 65.204 62.300 0.053 0.000 1.123 269 V CB -0.508 31.326 31.823 0.019 0.000 0.704 269 V HN 0.798 nan 8.190 nan 0.000 0.493 270 T N -3.699 110.887 114.554 0.052 0.000 3.107 270 T HA 0.135 4.485 4.350 -0.000 0.000 0.249 270 T C 1.614 176.388 174.700 0.123 0.000 1.096 270 T CA 0.390 62.517 62.100 0.045 0.000 1.012 270 T CB 0.003 68.902 68.868 0.052 0.000 0.977 270 T HN 0.565 nan 8.240 nan 0.000 0.527 271 R N -0.039 120.539 120.500 0.130 0.000 2.444 271 R HA 0.248 4.588 4.340 -0.000 0.000 0.201 271 R C 2.069 178.503 176.300 0.224 0.000 0.861 271 R CA 0.699 56.923 56.100 0.207 0.000 1.034 271 R CB -0.198 30.091 30.300 -0.019 0.000 1.347 271 R HN 0.539 nan 8.270 nan 0.000 0.659 272 C N 0.099 119.472 119.300 0.122 0.000 2.551 272 C HA 0.496 4.956 4.460 -0.000 0.000 0.284 272 C C 1.317 176.454 174.990 0.246 0.000 1.329 272 C CA 0.029 59.135 59.018 0.147 0.000 1.683 272 C CB -0.793 26.988 27.740 0.069 0.000 1.730 272 C HN 0.691 nan 8.230 nan 0.000 0.591 273 G N -0.672 108.304 108.800 0.293 0.000 2.154 273 G HA2 0.405 4.365 3.960 -0.000 0.000 0.186 273 G HA3 0.405 4.365 3.960 -0.000 0.000 0.186 273 G C 0.785 175.923 174.900 0.397 0.000 1.000 273 G CA 0.195 45.590 45.100 0.491 0.000 0.664 273 G HN 2.409 nan 8.290 nan 0.000 0.513 274 G N -0.376 108.542 108.800 0.197 0.000 2.632 274 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.224 274 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.224 274 G C 0.944 175.848 174.900 0.007 0.000 1.341 274 G CA -0.022 45.148 45.100 0.116 0.000 0.880 274 G HN 0.907 nan 8.290 nan 0.000 0.566 275 I N 0.717 121.248 120.570 -0.066 0.000 2.151 275 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 275 I C 3.071 179.013 176.117 -0.292 0.000 1.080 275 I CA 2.845 63.972 61.300 -0.288 0.000 1.339 275 I CB -2.092 35.481 38.000 -0.711 0.000 1.039 275 I HN 0.681 nan 8.210 nan 0.000 0.409 276 T N 1.015 115.472 114.554 -0.161 0.000 2.684 276 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 276 T C 1.946 176.342 174.700 -0.506 0.000 1.036 276 T CA 1.710 63.618 62.100 -0.319 0.000 1.148 276 T CB -0.778 67.730 68.868 -0.601 0.000 0.863 276 T HN 0.576 nan 8.240 nan 0.000 0.436 277 G N 0.913 109.480 108.800 -0.389 0.000 2.402 277 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 277 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 277 G C 1.498 176.310 174.900 -0.146 0.000 1.162 277 G CA 0.443 45.428 45.100 -0.192 0.000 0.777 277 G HN 0.407 nan 8.290 nan 0.000 0.539 278 L N 0.419 121.559 121.223 -0.139 0.000 2.201 278 L HA 0.169 4.509 4.340 -0.000 0.000 0.212 278 L C 2.595 179.327 176.870 -0.230 0.000 1.105 278 L CA 0.929 55.669 54.840 -0.166 0.000 0.775 278 L CB -0.185 41.796 42.059 -0.131 0.000 0.913 278 L HN 0.167 nan 8.230 nan 0.000 0.440 279 L N -1.240 119.846 121.223 -0.229 0.000 2.265 279 L HA -0.197 4.143 4.340 -0.000 0.000 0.215 279 L C 2.324 179.090 176.870 -0.172 0.000 1.117 279 L CA 0.719 55.436 54.840 -0.206 0.000 0.782 279 L CB -0.331 41.605 42.059 -0.204 0.000 0.914 279 L HN 0.174 nan 8.230 nan 0.000 0.441 280 R N -0.712 119.684 120.500 -0.173 0.000 2.246 280 R HA -0.047 4.293 4.340 -0.000 0.000 0.199 280 R C 2.084 178.309 176.300 -0.125 0.000 0.984 280 R CA 0.681 56.706 56.100 -0.125 0.000 1.015 280 R CB -0.269 29.970 30.300 -0.102 0.000 0.930 280 R HN 0.350 nan 8.270 nan 0.000 0.475 281 V N -1.706 118.087 119.914 -0.202 0.000 2.759 281 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 281 V C 1.636 177.588 176.094 -0.236 0.000 1.080 281 V CA 1.957 64.111 62.300 -0.243 0.000 1.101 281 V CB -0.302 31.253 31.823 -0.445 0.000 0.698 281 V HN 0.058 nan 8.190 nan 0.000 0.477 282 D N 1.804 122.059 120.400 -0.243 0.000 2.117 282 D HA -0.055 4.585 4.640 -0.000 0.000 0.197 282 D C 2.190 178.432 176.300 -0.097 0.000 0.987 282 D CA 1.945 55.831 54.000 -0.190 0.000 0.829 282 D CB -0.621 40.076 40.800 -0.172 0.000 0.961 282 D HN 0.522 nan 8.370 nan 0.000 0.460 283 G N 0.436 109.201 108.800 -0.058 0.000 2.421 283 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.217 283 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.217 283 G C 1.726 176.649 174.900 0.038 0.000 1.143 283 G CA 0.267 45.361 45.100 -0.011 0.000 0.784 283 G HN 0.268 nan 8.290 nan 0.000 0.541 284 I N 0.719 121.317 120.570 0.046 0.000 2.179 284 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 284 I C 2.719 178.937 176.117 0.169 0.000 1.088 284 I CA 0.936 62.318 61.300 0.137 0.000 1.357 284 I CB -0.933 37.106 38.000 0.065 0.000 1.051 284 I HN 0.180 nan 8.210 nan 0.000 0.409 285 C N 0.706 120.040 119.300 0.057 0.000 2.457 285 C HA -0.024 4.436 4.460 -0.000 0.000 0.278 285 C C 2.866 177.894 174.990 0.063 0.000 1.309 285 C CA 0.213 59.268 59.018 0.061 0.000 1.735 285 C CB -0.857 26.905 27.740 0.036 0.000 1.992 285 C HN 0.434 nan 8.230 nan 0.000 0.493 286 R N 1.039 121.553 120.500 0.022 0.000 2.090 286 R HA -0.007 4.333 4.340 -0.000 0.000 0.228 286 R C 2.393 178.710 176.300 0.028 0.000 1.110 286 R CA 1.473 57.576 56.100 0.005 0.000 0.973 286 R CB -1.530 28.753 30.300 -0.028 0.000 0.869 286 R HN 0.593 nan 8.270 nan 0.000 0.440 287 G N 0.308 109.142 108.800 0.055 0.000 2.421 287 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 287 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 287 G C 0.856 175.736 174.900 -0.034 0.000 1.171 287 G CA 0.795 45.907 45.100 0.019 0.000 0.775 287 G HN 0.405 nan 8.290 nan 0.000 0.543 288 H N -0.416 118.661 119.070 0.013 0.000 2.539 288 H HA 0.272 4.828 4.556 -0.000 0.000 0.267 288 H C 0.935 176.262 175.328 -0.003 0.000 0.982 288 H CA 0.359 56.411 56.048 0.006 0.000 1.146 288 H CB 0.246 30.008 29.762 -0.000 0.000 1.382 288 H HN 0.365 nan 8.280 nan 0.000 0.577 289 Q N -0.328 119.528 119.800 0.094 0.000 2.468 289 Q HA -0.171 4.169 4.340 -0.000 0.000 0.289 289 Q C -0.651 175.377 176.000 0.045 0.000 1.299 289 Q CA 0.724 56.556 55.803 0.047 0.000 0.838 289 Q CB -1.805 26.947 28.738 0.022 0.000 1.195 289 Q HN 0.652 nan 8.270 nan 0.000 0.456 290 I N -4.548 116.056 120.570 0.057 0.000 2.846 290 I HA 0.793 4.963 4.170 -0.000 0.000 0.307 290 I C -2.473 173.660 176.117 0.027 0.000 1.053 290 I CA -3.099 58.220 61.300 0.032 0.000 1.050 290 I CB 1.843 39.858 38.000 0.024 0.000 1.239 290 I HN -0.286 nan 8.210 nan 0.000 0.439 291 P HA 0.236 nan 4.420 nan 0.000 0.274 291 P C -1.338 175.998 177.300 0.059 0.000 1.237 291 P CA 0.044 63.147 63.100 0.006 0.000 0.793 291 P CB 0.385 32.052 31.700 -0.054 0.000 0.977 292 F N 0.965 120.866 119.950 -0.081 0.000 2.508 292 F HA 0.622 5.149 4.527 -0.000 0.000 0.325 292 F C -0.475 175.292 175.800 -0.056 0.000 1.090 292 F CA -0.452 57.513 58.000 -0.059 0.000 0.945 292 F CB 1.611 40.581 39.000 -0.051 0.000 1.156 292 F HN 0.153 nan 8.300 nan 0.000 0.463 293 S N 4.410 119.438 115.700 -1.121 0.000 2.594 293 S HA 0.812 5.282 4.470 -0.000 0.000 0.296 293 S C -0.906 173.148 174.600 -0.910 0.000 1.124 293 S CA -0.465 57.294 58.200 -0.736 0.000 1.011 293 S CB 0.821 63.947 63.200 -0.123 0.000 1.016 293 S HN 1.073 nan 8.310 nan 0.000 0.485 294 A N 3.984 126.501 122.820 -0.504 0.000 2.354 294 A HA 0.461 4.781 4.320 -0.000 0.000 0.269 294 A C -0.188 177.376 177.584 -0.033 0.000 1.109 294 A CA -0.335 51.599 52.037 -0.172 0.000 0.800 294 A CB 0.225 19.288 19.000 0.106 0.000 1.045 294 A HN 0.932 nan 8.150 nan 0.000 0.489 295 H N 1.306 120.318 119.070 -0.096 0.000 2.551 295 H HA 0.443 4.999 4.556 -0.000 0.000 0.321 295 H C -0.005 175.271 175.328 -0.087 0.000 1.028 295 H CA 0.239 56.213 56.048 -0.123 0.000 1.215 295 H CB 0.561 30.220 29.762 -0.171 0.000 1.414 295 H HN 1.005 nan 8.280 nan 0.000 0.480 296 C N 2.025 121.014 119.300 -0.517 0.000 0.168 296 C HA -0.173 4.287 4.460 -0.000 0.000 0.017 296 C C 1.228 176.300 174.990 0.137 0.000 0.171 296 C CA 0.715 59.573 59.018 -0.266 0.000 0.499 296 C CB -1.456 26.076 27.740 -0.346 0.000 3.212 296 C HN 1.485 nan 8.230 nan 0.000 1.118 297 A N 0.104 123.219 122.820 0.492 0.000 2.415 297 A HA -0.134 4.186 4.320 -0.000 0.000 0.292 297 A C -0.552 177.197 177.584 0.275 0.000 1.452 297 A CA 1.321 53.629 52.037 0.451 0.000 0.750 297 A CB -1.117 18.088 19.000 0.341 0.000 1.099 297 A HN 0.909 nan 8.150 nan 0.000 0.391 298 P HA -0.201 nan 4.420 nan 0.000 0.216 298 P C 1.627 179.034 177.300 0.178 0.000 1.150 298 P CA 1.951 65.138 63.100 0.145 0.000 0.837 298 P CB -0.047 31.719 31.700 0.111 0.000 0.786 299 A N -0.225 122.734 122.820 0.232 0.000 1.930 299 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 299 A C 2.459 180.168 177.584 0.209 0.000 1.175 299 A CA 1.836 54.005 52.037 0.220 0.000 0.627 299 A CB -1.597 17.531 19.000 0.213 0.000 0.815 299 A HN 0.173 nan 8.150 nan 0.000 0.443 300 V N -0.489 119.524 119.914 0.164 0.000 2.488 300 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 300 V C 2.360 178.506 176.094 0.086 0.000 1.046 300 V CA 2.601 64.930 62.300 0.048 0.000 1.053 300 V CB -0.388 31.334 31.823 -0.169 0.000 0.679 300 V HN 0.499 nan 8.190 nan 0.000 0.458 301 S N 0.839 116.590 115.700 0.086 0.000 2.400 301 S HA -0.138 4.332 4.470 -0.000 0.000 0.232 301 S C 2.146 176.791 174.600 0.075 0.000 1.025 301 S CA 1.445 59.693 58.200 0.080 0.000 0.993 301 S CB -0.584 62.667 63.200 0.084 0.000 0.808 301 S HN 0.854 nan 8.310 nan 0.000 0.478 302 A N 1.554 124.417 122.820 0.072 0.000 1.933 302 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 302 A C 1.871 179.386 177.584 -0.114 0.000 1.175 302 A CA 1.311 53.334 52.037 -0.023 0.000 0.628 302 A CB -0.697 18.264 19.000 -0.065 0.000 0.814 302 A HN 0.582 nan 8.150 nan 0.000 0.444 303 H N -0.802 118.268 119.070 -0.001 0.000 2.317 303 H HA 0.047 4.603 4.556 -0.000 0.000 0.304 303 H C 2.672 177.971 175.328 -0.049 0.000 1.067 303 H CA 1.274 57.307 56.048 -0.026 0.000 1.352 303 H CB -0.450 29.284 29.762 -0.047 0.000 1.398 303 H HN 0.524 nan 8.280 nan 0.000 0.510 304 A N 0.815 123.667 122.820 0.053 0.000 1.908 304 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 304 A C 2.653 180.233 177.584 -0.006 0.000 1.181 304 A CA 1.664 53.675 52.037 -0.043 0.000 0.627 304 A CB -1.122 17.842 19.000 -0.060 0.000 0.818 304 A HN 0.499 nan 8.150 nan 0.000 0.445 305 C N -1.442 117.893 119.300 0.058 0.000 2.472 305 C HA -0.048 4.412 4.460 -0.000 0.000 0.278 305 C C 2.619 177.721 174.990 0.186 0.000 1.447 305 C CA 0.252 59.343 59.018 0.122 0.000 1.773 305 C CB -2.018 25.810 27.740 0.146 0.000 1.793 305 C HN 0.735 nan 8.230 nan 0.000 0.544 306 C N 0.742 120.121 119.300 0.131 0.000 2.437 306 C HA 0.010 4.470 4.460 -0.000 0.000 0.283 306 C C 2.681 177.746 174.990 0.125 0.000 1.424 306 C CA 1.188 60.310 59.018 0.174 0.000 1.782 306 C CB -1.494 26.287 27.740 0.069 0.000 1.833 306 C HN 0.731 nan 8.230 nan 0.000 0.532 307 A N -0.498 122.376 122.820 0.090 0.000 2.275 307 A HA 0.347 4.667 4.320 -0.000 0.000 0.212 307 A C 0.611 178.309 177.584 0.189 0.000 1.201 307 A CA 0.438 52.540 52.037 0.107 0.000 0.843 307 A CB 0.057 19.041 19.000 -0.026 0.000 0.873 307 A HN 0.316 nan 8.150 nan 0.000 0.492 308 V N 0.876 120.855 119.914 0.108 0.000 2.311 308 V HA 0.134 4.254 4.120 -0.000 0.000 0.275 308 V C 1.143 177.164 176.094 -0.122 0.000 1.022 308 V CA -0.283 61.991 62.300 -0.044 0.000 0.830 308 V CB 0.974 32.749 31.823 -0.081 0.000 1.012 308 V HN 0.691 nan 8.190 nan 0.000 0.452 309 E N 3.242 123.044 120.200 -0.663 0.000 2.153 309 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 309 E C 1.841 178.285 176.600 -0.261 0.000 0.988 309 E CA 1.595 57.431 56.400 -0.941 0.000 0.811 309 E CB 0.244 29.094 29.700 -1.416 0.000 0.746 309 E HN 0.837 nan 8.360 nan 0.000 0.466 310 S N 0.161 115.763 115.700 -0.164 0.000 2.631 310 S HA 0.040 4.510 4.470 -0.000 0.000 0.217 310 S C 0.584 175.218 174.600 0.056 0.000 0.958 310 S CA -0.502 57.671 58.200 -0.045 0.000 0.920 310 S CB -0.144 63.041 63.200 -0.025 0.000 0.776 310 S HN 0.194 nan 8.310 nan 0.000 0.517 311 L N 1.874 123.158 121.223 0.103 0.000 2.540 311 L HA 0.259 4.599 4.340 -0.000 0.000 0.276 311 L C 0.875 177.708 176.870 -0.061 0.000 1.212 311 L CA -0.008 54.903 54.840 0.118 0.000 0.893 311 L CB 0.778 42.901 42.059 0.106 0.000 1.138 311 L HN 0.297 nan 8.230 nan 0.000 0.491 312 L N 4.141 125.271 121.223 -0.155 0.000 2.262 312 L HA 0.348 4.688 4.340 -0.000 0.000 0.197 312 L C -0.186 176.490 176.870 -0.324 0.000 1.073 312 L CA 0.997 55.649 54.840 -0.314 0.000 0.800 312 L CB -0.196 41.572 42.059 -0.486 0.000 0.987 312 L HN 0.969 nan 8.230 nan 0.000 0.470 313 H N -2.279 116.765 119.070 -0.043 0.000 2.967 313 H HA 0.570 5.126 4.556 -0.000 0.000 0.318 313 H C -1.066 174.251 175.328 -0.018 0.000 1.375 313 H CA -1.339 54.697 56.048 -0.020 0.000 1.132 313 H CB -0.001 29.788 29.762 0.045 0.000 1.848 313 H HN 0.095 nan 8.280 nan 0.000 0.524 314 L N -1.967 119.340 121.223 0.139 0.000 2.334 314 L HA 0.644 4.984 4.340 -0.000 0.000 0.270 314 L C 0.168 176.871 176.870 -0.279 0.000 1.018 314 L CA -0.851 53.993 54.840 0.007 0.000 0.811 314 L CB 1.519 43.578 42.059 -0.000 0.000 1.271 314 L HN 0.839 nan 8.230 nan 0.000 0.443 315 E N 0.831 120.779 120.200 -0.421 0.000 2.152 315 E HA 0.087 4.437 4.350 -0.000 0.000 0.285 315 E C -1.446 174.851 176.600 -0.504 0.000 1.043 315 E CA -0.551 55.292 56.400 -0.927 0.000 0.839 315 E CB 0.518 29.829 29.700 -0.647 0.000 1.069 315 E HN 0.700 nan 8.360 nan 0.000 0.399 316 Y N 6.862 126.742 120.300 -0.700 0.000 2.636 316 Y HA 0.131 4.681 4.550 -0.000 0.000 0.334 316 Y C -1.037 174.668 175.900 -0.326 0.000 1.286 316 Y CA -0.739 57.105 58.100 -0.428 0.000 1.688 316 Y CB -0.392 37.777 38.460 -0.485 0.000 1.662 316 Y HN 0.446 nan 8.280 nan 0.000 0.465 317 F N 4.074 123.714 119.950 -0.516 0.000 2.506 317 F HA 0.142 4.669 4.527 -0.000 0.000 0.371 317 F C 1.546 177.160 175.800 -0.310 0.000 1.078 317 F CA -0.378 57.375 58.000 -0.412 0.000 1.195 317 F CB 0.476 39.179 39.000 -0.494 0.000 1.099 317 F HN 0.626 nan 8.300 nan 0.000 0.548 318 H N 3.361 122.076 119.070 -0.591 0.000 2.289 318 H HA -0.199 4.357 4.556 -0.000 0.000 0.294 318 H C 1.558 176.618 175.328 -0.447 0.000 1.095 318 H CA 2.771 58.635 56.048 -0.307 0.000 1.256 318 H CB -0.020 29.806 29.762 0.106 0.000 1.359 318 H HN 0.721 nan 8.280 nan 0.000 0.487 319 D N -0.730 119.090 120.400 -0.966 0.000 2.133 319 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 319 D C 2.129 178.243 176.300 -0.309 0.000 0.997 319 D CA 1.910 55.557 54.000 -0.588 0.000 0.840 319 D CB -0.439 40.130 40.800 -0.384 0.000 0.947 319 D HN 0.699 nan 8.370 nan 0.000 0.452 320 H N -0.439 118.401 119.070 -0.385 0.000 2.384 320 H HA 0.214 4.770 4.556 -0.000 0.000 0.300 320 H C 2.083 177.307 175.328 -0.173 0.000 1.057 320 H CA 0.513 56.428 56.048 -0.222 0.000 1.370 320 H CB 0.223 29.941 29.762 -0.074 0.000 1.417 320 H HN 0.086 nan 8.280 nan 0.000 0.527 321 A N 1.625 124.319 122.820 -0.211 0.000 1.908 321 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 321 A C 2.255 179.745 177.584 -0.157 0.000 1.181 321 A CA 1.747 53.604 52.037 -0.300 0.000 0.627 321 A CB -0.564 17.924 19.000 -0.854 0.000 0.818 321 A HN 0.324 nan 8.150 nan 0.000 0.445 322 R N -0.514 119.840 120.500 -0.242 0.000 2.070 322 R HA -0.093 4.247 4.340 -0.000 0.000 0.233 322 R C 1.921 178.134 176.300 -0.144 0.000 1.137 322 R CA 1.863 57.846 56.100 -0.196 0.000 0.945 322 R CB -0.504 29.591 30.300 -0.341 0.000 0.845 322 R HN 0.259 nan 8.270 nan 0.000 0.430 323 V N 1.391 121.221 119.914 -0.139 0.000 2.490 323 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 323 V C 1.926 177.947 176.094 -0.121 0.000 1.061 323 V CA 2.081 64.302 62.300 -0.132 0.000 1.064 323 V CB -0.400 31.398 31.823 -0.042 0.000 0.670 323 V HN 0.444 nan 8.190 nan 0.000 0.461 324 E N -0.404 119.792 120.200 -0.007 0.000 2.112 324 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 324 E C 2.363 179.032 176.600 0.116 0.000 0.979 324 E CA 0.642 57.116 56.400 0.122 0.000 0.814 324 E CB -0.125 29.712 29.700 0.229 0.000 0.762 324 E HN 0.287 nan 8.360 nan 0.000 0.460 325 R N 0.925 121.455 120.500 0.050 0.000 2.120 325 R HA -0.102 4.238 4.340 -0.000 0.000 0.234 325 R C 1.959 178.252 176.300 -0.012 0.000 1.123 325 R CA 0.797 56.925 56.100 0.047 0.000 0.975 325 R CB -0.346 29.981 30.300 0.044 0.000 0.866 325 R HN 0.159 nan 8.270 nan 0.000 0.446 326 L N -0.642 120.528 121.223 -0.089 0.000 2.209 326 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 326 L C 1.557 178.309 176.870 -0.198 0.000 1.094 326 L CA 1.411 56.174 54.840 -0.128 0.000 0.790 326 L CB 0.068 42.008 42.059 -0.198 0.000 0.932 326 L HN 0.210 nan 8.230 nan 0.000 0.447 327 L N -2.215 118.789 121.223 -0.366 0.000 2.513 327 L HA 0.190 4.530 4.340 -0.000 0.000 0.222 327 L C -0.237 176.214 176.870 -0.699 0.000 1.096 327 L CA -0.111 54.342 54.840 -0.646 0.000 0.857 327 L CB 0.068 41.514 42.059 -1.022 0.000 1.026 327 L HN 0.003 nan 8.230 nan 0.000 0.469 328 F N -0.619 119.271 119.950 -0.100 0.000 2.551 328 F HA 0.305 4.832 4.527 -0.000 0.000 0.316 328 F C -0.089 175.696 175.800 -0.025 0.000 1.089 328 F CA -1.195 56.767 58.000 -0.063 0.000 0.915 328 F CB 1.857 40.824 39.000 -0.056 0.000 1.186 328 F HN -0.237 nan 8.300 nan 0.000 0.456 329 D N 0.569 121.095 120.400 0.209 0.000 2.210 329 D HA 0.530 5.170 4.640 -0.000 0.000 0.249 329 D C 0.652 177.030 176.300 0.130 0.000 1.062 329 D CA 0.651 54.730 54.000 0.132 0.000 0.891 329 D CB 1.424 42.278 40.800 0.091 0.000 1.186 329 D HN 0.777 nan 8.370 nan 0.000 0.432 330 G N 1.862 110.722 108.800 0.101 0.000 2.192 330 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.193 330 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.193 330 G C 0.472 175.426 174.900 0.090 0.000 0.999 330 G CA 0.117 45.264 45.100 0.079 0.000 0.659 330 G HN 0.875 nan 8.290 nan 0.000 0.503 331 T N -0.255 114.367 114.554 0.113 0.000 2.802 331 T HA 0.637 4.987 4.350 -0.000 0.000 0.305 331 T C 0.598 175.366 174.700 0.113 0.000 1.053 331 T CA -0.211 61.965 62.100 0.126 0.000 1.058 331 T CB 1.526 70.487 68.868 0.156 0.000 0.988 331 T HN 0.581 nan 8.240 nan 0.000 0.539 332 L N 1.005 122.300 121.223 0.119 0.000 2.331 332 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 332 L C 0.100 177.017 176.870 0.078 0.000 1.022 332 L CA -1.178 53.711 54.840 0.081 0.000 0.812 332 L CB 1.422 43.509 42.059 0.046 0.000 1.257 332 L HN 0.698 nan 8.230 nan 0.000 0.435 333 D N 2.894 123.312 120.400 0.029 0.000 2.249 333 D HA 0.217 4.857 4.640 -0.000 0.000 0.246 333 D C -1.750 174.494 176.300 -0.093 0.000 1.114 333 D CA -1.967 52.031 54.000 -0.004 0.000 0.854 333 D CB 1.732 42.534 40.800 0.003 0.000 1.132 333 D HN 0.234 nan 8.370 nan 0.000 0.461 334 P HA 0.015 nan 4.420 nan 0.000 0.249 334 P C 0.106 177.268 177.300 -0.230 0.000 1.229 334 P CA -0.017 62.871 63.100 -0.353 0.000 0.788 334 P CB 0.078 31.265 31.700 -0.855 0.000 1.072 335 E N 1.127 121.244 120.200 -0.138 0.000 2.529 335 E HA 0.194 4.543 4.350 -0.000 0.000 0.259 335 E C 1.227 177.785 176.600 -0.070 0.000 0.966 335 E CA 1.305 57.659 56.400 -0.078 0.000 0.937 335 E CB -0.633 29.046 29.700 -0.036 0.000 0.923 335 E HN 0.247 nan 8.360 nan 0.000 0.468 336 G N 2.716 111.483 108.800 -0.056 0.000 2.195 336 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.246 336 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.246 336 G C 0.940 175.803 174.900 -0.062 0.000 0.984 336 G CA 0.325 45.396 45.100 -0.048 0.000 0.633 336 G HN 1.805 nan 8.290 nan 0.000 0.525 337 G N -1.925 106.818 108.800 -0.096 0.000 2.176 337 G HA2 0.098 4.058 3.960 -0.000 0.000 0.232 337 G HA3 0.098 4.058 3.960 -0.000 0.000 0.232 337 G C 0.176 175.008 174.900 -0.113 0.000 0.986 337 G CA 0.825 45.861 45.100 -0.108 0.000 0.643 337 G HN 1.818 nan 8.290 nan 0.000 0.522 338 S N -0.678 114.956 115.700 -0.110 0.000 2.595 338 S HA 0.790 5.259 4.470 -0.000 0.000 0.281 338 S C -0.357 174.181 174.600 -0.103 0.000 1.117 338 S CA -0.724 57.420 58.200 -0.094 0.000 0.873 338 S CB 2.020 65.182 63.200 -0.064 0.000 1.108 338 S HN 0.446 nan 8.310 nan 0.000 0.477 339 L N 2.086 123.258 121.223 -0.086 0.000 2.317 339 L HA 0.611 4.951 4.340 -0.000 0.000 0.281 339 L C 0.155 176.983 176.870 -0.071 0.000 1.024 339 L CA -0.518 54.278 54.840 -0.074 0.000 0.810 339 L CB 1.340 43.366 42.059 -0.055 0.000 1.240 339 L HN 0.464 nan 8.230 nan 0.000 0.427 340 R N 4.423 124.883 120.500 -0.067 0.000 2.371 340 R HA 0.423 4.763 4.340 -0.000 0.000 0.312 340 R C -2.564 173.684 176.300 -0.087 0.000 0.980 340 R CA -1.585 54.477 56.100 -0.064 0.000 0.867 340 R CB 1.443 31.721 30.300 -0.036 0.000 1.163 340 R HN 0.275 nan 8.270 nan 0.000 0.492 341 P HA -0.099 nan 4.420 nan 0.000 0.265 341 P C -0.946 176.338 177.300 -0.027 0.000 1.187 341 P CA 0.184 63.169 63.100 -0.193 0.000 0.766 341 P CB 0.508 32.036 31.700 -0.288 0.000 0.820 342 D N 4.300 124.726 120.400 0.042 0.000 2.339 342 D HA 0.048 4.687 4.640 -0.000 0.000 0.256 342 D C -1.335 175.000 176.300 0.058 0.000 1.214 342 D CA -2.042 51.987 54.000 0.049 0.000 0.877 342 D CB 0.621 41.459 40.800 0.063 0.000 1.111 342 D HN 0.193 nan 8.370 nan 0.000 0.478 343 P HA -0.026 nan 4.420 nan 0.000 0.234 343 P C 0.083 177.403 177.300 0.034 0.000 1.167 343 P CA 0.571 63.692 63.100 0.035 0.000 0.763 343 P CB 0.543 32.255 31.700 0.021 0.000 0.835 344 D N -0.683 119.738 120.400 0.034 0.000 2.369 344 D HA 0.082 4.722 4.640 -0.000 0.000 0.211 344 D C 0.596 176.915 176.300 0.031 0.000 1.077 344 D CA 0.203 54.220 54.000 0.028 0.000 0.842 344 D CB 0.411 41.225 40.800 0.024 0.000 0.947 344 D HN 0.239 nan 8.370 nan 0.000 0.509 345 R N 1.861 122.385 120.500 0.041 0.000 2.295 345 R HA 0.342 4.682 4.340 -0.000 0.000 0.324 345 R C -2.424 173.895 176.300 0.032 0.000 0.968 345 R CA -1.563 54.559 56.100 0.036 0.000 0.837 345 R CB 1.748 32.073 30.300 0.042 0.000 1.133 345 R HN -0.047 nan 8.270 nan 0.000 0.450 346 P HA 0.055 nan 4.420 nan 0.000 0.274 346 P C 0.601 177.890 177.300 -0.020 0.000 1.237 346 P CA 0.281 63.386 63.100 0.008 0.000 0.793 346 P CB 0.815 32.520 31.700 0.008 0.000 0.977 347 G N 1.065 109.849 108.800 -0.026 0.000 2.596 347 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.295 347 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.295 347 G C 0.844 175.616 174.900 -0.213 0.000 1.240 347 G CA 0.427 45.482 45.100 -0.075 0.000 0.985 347 G HN 0.492 nan 8.290 nan 0.000 0.555 348 L N 1.934 122.988 121.223 -0.283 0.000 2.478 348 L HA 0.327 4.667 4.340 -0.000 0.000 0.223 348 L C 2.518 179.220 176.870 -0.280 0.000 1.140 348 L CA 1.162 55.690 54.840 -0.520 0.000 0.842 348 L CB -0.440 41.399 42.059 -0.366 0.000 0.953 348 L HN 1.958 nan 8.230 nan 0.000 0.452 349 G N 0.418 109.144 108.800 -0.123 0.000 2.162 349 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 349 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 349 G C 0.144 175.028 174.900 -0.027 0.000 0.976 349 G CA -0.057 45.028 45.100 -0.025 0.000 0.655 349 G HN 0.238 nan 8.290 nan 0.000 0.533 350 L N 0.412 121.580 121.223 -0.092 0.000 2.307 350 L HA 0.646 4.986 4.340 -0.000 0.000 0.284 350 L C 0.049 176.897 176.870 -0.037 0.000 1.023 350 L CA -0.664 54.100 54.840 -0.126 0.000 0.810 350 L CB 1.592 43.394 42.059 -0.428 0.000 1.231 350 L HN 0.147 nan 8.230 nan 0.000 0.423 351 E N 3.029 123.286 120.200 0.094 0.000 2.199 351 E HA 0.318 4.668 4.350 -0.000 0.000 0.265 351 E C -1.091 175.678 176.600 0.282 0.000 0.882 351 E CA -1.046 55.442 56.400 0.146 0.000 0.759 351 E CB 3.021 32.775 29.700 0.090 0.000 1.148 351 E HN 0.291 nan 8.360 nan 0.000 0.412 352 L N 3.089 124.475 121.223 0.271 0.000 2.499 352 L HA 0.036 4.376 4.340 -0.000 0.000 0.273 352 L C -0.492 176.392 176.870 0.025 0.000 1.195 352 L CA 0.414 55.339 54.840 0.142 0.000 0.882 352 L CB 0.088 42.198 42.059 0.085 0.000 1.133 352 L HN 0.370 nan 8.230 nan 0.000 0.483 353 K N 5.552 125.911 120.400 -0.069 0.000 2.219 353 K HA 0.258 4.578 4.320 -0.000 0.000 0.280 353 K C 1.414 177.968 176.600 -0.076 0.000 1.104 353 K CA 0.351 56.607 56.287 -0.051 0.000 0.925 353 K CB 0.470 32.937 32.500 -0.054 0.000 1.261 353 K HN 0.753 nan 8.250 nan 0.000 0.445 354 R N 1.634 122.116 120.500 -0.030 0.000 2.083 354 R HA -0.158 4.181 4.340 -0.000 0.000 0.237 354 R C 2.112 178.406 176.300 -0.009 0.000 1.137 354 R CA 2.493 58.584 56.100 -0.014 0.000 0.951 354 R CB -1.304 29.010 30.300 0.023 0.000 0.851 354 R HN 0.499 nan 8.270 nan 0.000 0.434 355 S N 0.312 116.008 115.700 -0.006 0.000 2.383 355 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 355 S C 2.072 176.663 174.600 -0.016 0.000 1.026 355 S CA 1.254 59.451 58.200 -0.005 0.000 0.981 355 S CB -0.178 63.020 63.200 -0.003 0.000 0.818 355 S HN 0.716 nan 8.310 nan 0.000 0.472 356 E N 2.133 122.323 120.200 -0.017 0.000 2.051 356 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 356 E C 2.016 178.642 176.600 0.043 0.000 0.991 356 E CA 1.404 57.810 56.400 0.010 0.000 0.799 356 E CB -0.545 29.161 29.700 0.010 0.000 0.748 356 E HN 0.385 nan 8.360 nan 0.000 0.449 357 A N 0.150 122.936 122.820 -0.056 0.000 1.930 357 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 357 A C 2.463 180.099 177.584 0.087 0.000 1.175 357 A CA 1.622 53.578 52.037 -0.135 0.000 0.627 357 A CB -1.299 17.347 19.000 -0.590 0.000 0.815 357 A HN 0.409 nan 8.150 nan 0.000 0.443 358 G N 0.015 108.861 108.800 0.077 0.000 2.475 358 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.220 358 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.220 358 G C 1.576 176.499 174.900 0.038 0.000 1.125 358 G CA 1.312 46.474 45.100 0.104 0.000 0.755 358 G HN 0.641 nan 8.290 nan 0.000 0.565 359 K N -0.567 119.793 120.400 -0.067 0.000 2.152 359 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 359 K C 1.067 177.457 176.600 -0.350 0.000 1.048 359 K CA 1.034 57.155 56.287 -0.277 0.000 0.933 359 K CB -0.210 32.009 32.500 -0.468 0.000 0.721 359 K HN 0.464 nan 8.250 nan 0.000 0.447 360 Y N 0.076 120.432 120.300 0.094 0.000 2.636 360 Y HA 0.387 4.937 4.550 -0.000 0.000 0.260 360 Y C 0.211 176.236 175.900 0.208 0.000 1.177 360 Y CA -0.510 57.667 58.100 0.128 0.000 1.209 360 Y CB 0.366 38.887 38.460 0.101 0.000 1.166 360 Y HN 0.018 nan 8.280 nan 0.000 0.531 361 A N 1.323 124.313 122.820 0.284 0.000 2.567 361 A HA 0.423 4.743 4.320 -0.000 0.000 0.240 361 A C 0.996 178.601 177.584 0.036 0.000 1.053 361 A CA 0.295 52.402 52.037 0.116 0.000 0.755 361 A CB -0.241 18.794 19.000 0.059 0.000 0.978 361 A HN 0.462 nan 8.150 nan 0.000 0.507 362 A N 0.000 122.787 122.820 -0.055 0.000 2.254 362 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 362 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 362 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 362 A HN 0.000 nan 8.150 nan 0.000 0.486