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 2qtk_1_B DATA FIRST_RESID 5 DATA SEQUENCE FLEDAKTDLV LRNYYFNRDF XXXXXXXXLV DEWAQGFILK FSSGYTPGTV DATA SEQUENCE GVGLDAIGLF GVKLNXXXXX XNSELLPLHX XXXAADNYGR VGVAAKLRVS DATA SEQUENCE ASELKIGEML PDIPLLRYDD GRLLPQTFRG FAVVSRELPG LALQAGRFDA DATA SEQUENCE VSLRNSADMQ DLSAWSAPTQ KSDGFNYAGA EYRFNRERTQ LGLWHGQLED DATA SEQUENCE VYRQSYANLL HKQRVGDWTL GANLGLFVDR DDGAARAGEI DSHTVYGLFS DATA SEQUENCE AGIGLHTFYL GLQKVGGDSG WQSVYGSSGR SMGNDMFNGN FTNADERSWQ DATA SEQUENCE VRYDYDFVGL GWPGLIGMVR YGHGSNATTK AGSGGKEWER DVELGYTVQS DATA SEQUENCE GPLARLNVRL NHASNRRSFN SDFDQTRLVV SYPLSW 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 5 F HA 0.000 nan 4.527 nan 0.000 0.279 5 F C 0.000 175.833 175.800 0.054 0.000 0.967 5 F CA 0.000 58.022 58.000 0.037 0.000 1.383 5 F CB 0.000 39.027 39.000 0.045 0.000 1.145 6 L N -0.000 121.364 121.223 0.235 0.000 2.467 6 L HA 0.177 4.517 4.340 -0.000 0.000 0.213 6 L C 1.710 178.635 176.870 0.092 0.000 1.053 6 L CA 0.516 55.453 54.840 0.162 0.000 0.847 6 L CB -0.229 41.953 42.059 0.205 0.000 1.075 6 L HN -0.004 nan 8.230 nan 0.000 0.479 7 E N 0.912 121.168 120.200 0.093 0.000 2.063 7 E HA -0.188 4.162 4.350 -0.000 0.000 0.221 7 E C 0.104 176.734 176.600 0.049 0.000 1.052 7 E CA 1.426 57.868 56.400 0.070 0.000 0.891 7 E CB -0.215 29.527 29.700 0.070 0.000 0.792 7 E HN 0.366 nan 8.360 nan 0.000 0.482 8 D N -0.523 119.895 120.400 0.031 0.000 2.264 8 D HA 0.513 5.153 4.640 -0.000 0.000 0.249 8 D C -0.664 175.603 176.300 -0.055 0.000 1.070 8 D CA 0.221 54.222 54.000 0.003 0.000 0.912 8 D CB 1.673 42.480 40.800 0.011 0.000 1.193 8 D HN 0.274 nan 8.370 nan 0.000 0.427 9 A N 1.387 124.161 122.820 -0.078 0.000 1.320 9 A HA 0.248 4.568 4.320 -0.000 0.000 0.218 9 A C -0.862 176.678 177.584 -0.073 0.000 0.940 9 A CA -0.973 50.962 52.037 -0.170 0.000 0.663 9 A CB 0.637 19.580 19.000 -0.096 0.000 0.547 9 A HN 0.392 nan 8.150 nan 0.000 0.322 10 K N 1.412 121.722 120.400 -0.150 0.000 2.221 10 K HA 0.903 5.223 4.320 -0.000 0.000 0.243 10 K C -1.096 175.536 176.600 0.052 0.000 0.968 10 K CA -0.029 56.256 56.287 -0.004 0.000 0.846 10 K CB 1.838 34.328 32.500 -0.017 0.000 1.141 10 K HN 0.649 nan 8.250 nan 0.000 0.434 11 T N 1.960 116.660 114.554 0.243 0.000 2.881 11 T HA 0.344 4.694 4.350 -0.000 0.000 0.290 11 T C -1.520 173.388 174.700 0.346 0.000 1.000 11 T CA -0.722 61.587 62.100 0.349 0.000 0.978 11 T CB 1.185 70.301 68.868 0.414 0.000 0.997 11 T HN 0.447 nan 8.240 nan 0.000 0.443 12 D N 2.585 123.136 120.400 0.251 0.000 2.593 12 D HA 0.346 4.986 4.640 -0.000 0.000 0.251 12 D C -1.066 175.352 176.300 0.197 0.000 1.140 12 D CA -0.376 53.729 54.000 0.175 0.000 0.855 12 D CB 2.035 42.880 40.800 0.075 0.000 1.267 12 D HN 0.315 nan 8.370 nan 0.000 0.532 13 L N 3.311 124.662 121.223 0.214 0.000 2.319 13 L HA 0.473 4.813 4.340 -0.000 0.000 0.281 13 L C -1.258 175.683 176.870 0.118 0.000 1.005 13 L CA -0.681 54.293 54.840 0.224 0.000 0.828 13 L CB 1.636 43.915 42.059 0.367 0.000 1.227 13 L HN 0.043 nan 8.230 nan 0.000 0.415 14 V N 5.698 125.668 119.914 0.093 0.000 2.459 14 V HA 0.377 4.497 4.120 -0.000 0.000 0.295 14 V C -0.262 175.845 176.094 0.022 0.000 1.029 14 V CA -0.653 61.664 62.300 0.028 0.000 0.874 14 V CB 1.956 33.782 31.823 0.005 0.000 0.985 14 V HN 0.490 nan 8.190 nan 0.000 0.438 15 L N 5.727 126.952 121.223 0.003 0.000 2.272 15 L HA 0.569 4.909 4.340 -0.000 0.000 0.289 15 L C 0.169 176.979 176.870 -0.100 0.000 1.032 15 L CA 0.136 54.910 54.840 -0.110 0.000 0.810 15 L CB 1.020 43.061 42.059 -0.031 0.000 1.205 15 L HN 0.583 nan 8.230 nan 0.000 0.422 16 R N 3.446 123.847 120.500 -0.165 0.000 2.388 16 R HA 0.348 4.688 4.340 -0.000 0.000 0.314 16 R C -0.914 175.358 176.300 -0.045 0.000 0.959 16 R CA -0.391 55.667 56.100 -0.070 0.000 0.851 16 R CB 0.845 31.134 30.300 -0.019 0.000 1.168 16 R HN 0.688 nan 8.270 nan 0.000 0.472 17 N N 4.454 123.169 118.700 0.024 0.000 2.425 17 N HA 0.113 4.853 4.740 -0.000 0.000 0.268 17 N C -1.705 173.961 175.510 0.260 0.000 0.991 17 N CA -0.142 52.989 53.050 0.135 0.000 0.931 17 N CB 1.070 39.665 38.487 0.181 0.000 1.130 17 N HN 0.615 nan 8.380 nan 0.000 0.493 18 Y N 3.895 124.326 120.300 0.218 0.000 2.341 18 Y HA 0.242 4.792 4.550 -0.000 0.000 0.338 18 Y C -1.271 174.898 175.900 0.448 0.000 0.965 18 Y CA -1.119 57.128 58.100 0.246 0.000 1.108 18 Y CB 1.067 39.606 38.460 0.131 0.000 1.180 18 Y HN 0.499 nan 8.280 nan 0.000 0.458 19 Y N 8.116 128.757 120.300 0.568 0.000 2.478 19 Y HA 0.355 4.905 4.550 -0.000 0.000 0.329 19 Y C -2.002 174.130 175.900 0.388 0.000 0.967 19 Y CA -1.828 56.489 58.100 0.362 0.000 1.255 19 Y CB 0.223 38.675 38.460 -0.014 0.000 1.103 19 Y HN 0.568 nan 8.280 nan 0.000 0.497 20 F N 6.027 125.823 119.950 -0.256 0.000 2.404 20 F HA 0.522 5.048 4.527 -0.000 0.000 0.339 20 F C -0.836 174.625 175.800 -0.565 0.000 1.105 20 F CA -0.397 57.397 58.000 -0.343 0.000 1.087 20 F CB 0.961 39.811 39.000 -0.250 0.000 1.143 20 F HN 0.621 nan 8.300 nan 0.000 0.491 21 N N 4.289 122.360 118.700 -1.048 0.000 2.519 21 N HA 0.311 5.051 4.740 -0.000 0.000 0.291 21 N C -1.839 173.273 175.510 -0.663 0.000 1.107 21 N CA -0.731 51.929 53.050 -0.650 0.000 0.904 21 N CB 1.064 39.262 38.487 -0.483 0.000 1.500 21 N HN 0.709 nan 8.380 nan 0.000 0.510 22 R N 2.646 122.893 120.500 -0.421 0.000 2.451 22 R HA 0.349 4.689 4.340 -0.000 0.000 0.307 22 R C -1.745 174.427 176.300 -0.214 0.000 0.965 22 R CA -0.646 55.232 56.100 -0.371 0.000 0.865 22 R CB 0.814 30.897 30.300 -0.362 0.000 1.174 22 R HN 0.582 nan 8.270 nan 0.000 0.455 23 D N 4.633 124.924 120.400 -0.183 0.000 2.440 23 D HA 0.222 4.862 4.640 -0.000 0.000 0.239 23 D C -0.760 175.508 176.300 -0.053 0.000 1.084 23 D CA -0.365 53.609 54.000 -0.043 0.000 0.843 23 D CB 0.578 41.386 40.800 0.013 0.000 1.097 23 D HN 0.234 nan 8.370 nan 0.000 0.531 34 V N 1.269 121.254 119.914 0.118 0.000 2.516 34 V HA 0.499 4.619 4.120 -0.000 0.000 0.271 34 V C -1.308 174.848 176.094 0.102 0.000 0.992 34 V CA 0.042 62.417 62.300 0.126 0.000 0.857 34 V CB 1.199 33.126 31.823 0.173 0.000 1.047 34 V HN 0.882 nan 8.190 nan 0.000 0.455 35 D N 3.193 123.665 120.400 0.121 0.000 2.461 35 D HA 0.476 5.116 4.640 -0.000 0.000 0.240 35 D C -0.243 176.182 176.300 0.209 0.000 1.094 35 D CA -0.081 54.011 54.000 0.155 0.000 0.868 35 D CB 1.013 41.918 40.800 0.175 0.000 1.062 35 D HN 0.366 nan 8.370 nan 0.000 0.530 36 E N 2.338 122.677 120.200 0.231 0.000 2.263 36 E HA 0.556 4.906 4.350 -0.000 0.000 0.264 36 E C -1.263 175.606 176.600 0.448 0.000 0.923 36 E CA -0.759 55.795 56.400 0.257 0.000 0.802 36 E CB 1.898 31.680 29.700 0.137 0.000 1.228 36 E HN 0.445 nan 8.360 nan 0.000 0.417 37 W N 0.651 122.053 121.300 0.170 0.000 3.573 37 W HA 0.583 5.243 4.660 -0.000 0.000 0.306 37 W C -1.802 174.782 176.519 0.108 0.000 1.227 37 W CA -0.606 56.867 57.345 0.214 0.000 1.212 37 W CB 0.791 30.388 29.460 0.229 0.000 1.331 37 W HN 0.555 nan 8.180 nan 0.000 0.524 38 A N 3.575 126.409 122.820 0.024 0.000 2.586 38 A HA 0.676 4.996 4.320 -0.000 0.000 0.290 38 A C -1.957 175.535 177.584 -0.153 0.000 1.086 38 A CA -0.677 51.259 52.037 -0.168 0.000 0.665 38 A CB 2.102 21.067 19.000 -0.058 0.000 1.279 38 A HN 0.504 nan 8.150 nan 0.000 0.423 39 Q N -0.148 119.552 119.800 -0.168 0.000 2.353 39 Q HA 0.647 4.987 4.340 -0.000 0.000 0.268 39 Q C -0.321 175.596 176.000 -0.138 0.000 1.045 39 Q CA 0.264 55.970 55.803 -0.162 0.000 0.811 39 Q CB 2.005 30.640 28.738 -0.170 0.000 1.305 39 Q HN 1.480 nan 8.270 nan 0.000 0.447 40 G N 1.875 110.528 108.800 -0.244 0.000 2.533 40 G HA2 0.732 4.692 3.960 -0.000 0.000 0.304 40 G HA3 0.732 4.692 3.960 -0.000 0.000 0.304 40 G C -1.681 173.007 174.900 -0.353 0.000 1.263 40 G CA -0.519 44.499 45.100 -0.136 0.000 0.964 40 G HN 0.403 nan 8.290 nan 0.000 0.479 41 F N 0.324 120.292 119.950 0.030 0.000 2.536 41 F HA 0.524 5.051 4.527 -0.000 0.000 0.322 41 F C 0.024 175.867 175.800 0.071 0.000 1.144 41 F CA -1.049 57.004 58.000 0.089 0.000 0.924 41 F CB 2.255 41.352 39.000 0.162 0.000 1.181 41 F HN 0.143 nan 8.300 nan 0.000 0.438 42 I N 5.102 125.791 120.570 0.197 0.000 2.437 42 I HA 0.265 4.435 4.170 -0.000 0.000 0.279 42 I C -1.182 175.023 176.117 0.146 0.000 1.028 42 I CA -0.703 60.681 61.300 0.140 0.000 1.142 42 I CB 1.460 39.513 38.000 0.089 0.000 1.266 42 I HN 0.351 nan 8.210 nan 0.000 0.461 43 L N 8.098 129.411 121.223 0.150 0.000 2.275 43 L HA 0.446 4.786 4.340 -0.000 0.000 0.288 43 L C -0.507 176.440 176.870 0.129 0.000 1.046 43 L CA 0.064 54.995 54.840 0.151 0.000 0.805 43 L CB 0.475 42.614 42.059 0.135 0.000 1.193 43 L HN 0.388 nan 8.230 nan 0.000 0.426 44 K N 6.106 126.591 120.400 0.142 0.000 2.463 44 K HA 0.353 4.673 4.320 -0.000 0.000 0.255 44 K C -1.390 175.310 176.600 0.165 0.000 0.942 44 K CA -0.575 55.784 56.287 0.120 0.000 0.814 44 K CB 2.137 34.678 32.500 0.067 0.000 1.122 44 K HN 0.394 nan 8.250 nan 0.000 0.425 45 F N 1.420 121.376 119.950 0.009 0.000 2.458 45 F HA 0.465 4.992 4.527 0.000 0.000 0.330 45 F C -0.382 175.392 175.800 -0.043 0.000 1.082 45 F CA -0.612 57.381 58.000 -0.012 0.000 0.995 45 F CB 1.948 40.932 39.000 -0.025 0.000 1.170 45 F HN 0.412 nan 8.300 nan 0.000 0.478 46 S N 4.056 119.053 115.700 -1.172 0.000 2.609 46 S HA 0.385 4.855 4.470 -0.000 0.000 0.250 46 S C -0.728 173.198 174.600 -1.123 0.000 1.112 46 S CA -0.374 57.291 58.200 -0.891 0.000 1.102 46 S CB -0.027 62.928 63.200 -0.409 0.000 1.124 46 S HN 1.034 nan 8.310 nan 0.000 0.460 47 S N 3.731 118.693 115.700 -1.230 0.000 2.617 47 S HA 0.665 5.135 4.470 -0.000 0.000 0.255 47 S C 1.149 175.320 174.600 -0.716 0.000 1.318 47 S CA 0.098 57.690 58.200 -1.013 0.000 0.978 47 S CB 0.159 62.582 63.200 -1.295 0.000 0.961 47 S HN 0.916 nan 8.310 nan 0.000 0.582 48 G N -0.751 107.689 108.800 -0.600 0.000 3.137 48 G HA2 0.506 4.466 3.960 -0.000 0.000 0.163 48 G HA3 0.506 4.466 3.960 -0.000 0.000 0.163 48 G C -1.332 173.330 174.900 -0.396 0.000 1.602 48 G CA -0.473 44.439 45.100 -0.313 0.000 1.067 48 G HN 0.674 nan 8.290 nan 0.000 0.568 49 Y N -0.417 119.890 120.300 0.011 0.000 2.441 49 Y HA 0.368 4.918 4.550 0.000 0.000 0.334 49 Y C 0.236 176.219 175.900 0.139 0.000 1.061 49 Y CA -0.804 57.346 58.100 0.083 0.000 1.032 49 Y CB 1.848 40.337 38.460 0.048 0.000 1.266 49 Y HN 0.600 nan 8.280 nan 0.000 0.441 50 T N 1.849 116.606 114.554 0.340 0.000 2.867 50 T HA 0.271 4.621 4.350 -0.000 0.000 0.297 50 T C -2.521 172.288 174.700 0.181 0.000 0.989 50 T CA -1.355 60.886 62.100 0.235 0.000 1.159 50 T CB 0.505 69.477 68.868 0.174 0.000 0.928 50 T HN 0.189 nan 8.240 nan 0.000 0.538 51 P HA 0.468 nan 4.420 nan 0.000 0.268 51 P C 0.673 178.017 177.300 0.074 0.000 1.208 51 P CA 0.730 63.886 63.100 0.094 0.000 0.777 51 P CB 0.227 31.972 31.700 0.076 0.000 0.875 52 G N 0.228 109.059 108.800 0.053 0.000 2.355 52 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.619 52 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.619 52 G C 0.721 175.637 174.900 0.028 0.000 1.337 52 G CA -0.144 44.980 45.100 0.039 0.000 0.993 52 G HN 0.345 nan 8.290 nan 0.000 0.599 53 T N -0.864 113.703 114.554 0.021 0.000 2.699 53 T HA -0.042 4.308 4.350 -0.000 0.000 0.268 53 T C 1.291 175.998 174.700 0.011 0.000 1.036 53 T CA 2.021 64.128 62.100 0.012 0.000 1.147 53 T CB -0.180 68.694 68.868 0.011 0.000 0.862 53 T HN 0.940 nan 8.240 nan 0.000 0.446 54 V N 1.731 121.662 119.914 0.027 0.000 2.284 54 V HA 0.556 4.676 4.120 -0.000 0.000 0.274 54 V C 0.634 176.774 176.094 0.076 0.000 1.023 54 V CA -1.039 61.284 62.300 0.039 0.000 0.808 54 V CB 0.793 32.641 31.823 0.042 0.000 1.035 54 V HN 0.393 nan 8.190 nan 0.000 0.445 55 G N 3.640 112.490 108.800 0.083 0.000 2.442 55 G HA2 0.474 4.434 3.960 -0.000 0.000 0.249 55 G HA3 0.474 4.434 3.960 -0.000 0.000 0.249 55 G C -0.619 174.483 174.900 0.337 0.000 1.263 55 G CA -0.104 45.121 45.100 0.207 0.000 0.846 55 G HN 0.507 nan 8.290 nan 0.000 0.555 56 V N 1.574 121.686 119.914 0.330 0.000 2.540 56 V HA 0.868 4.988 4.120 -0.000 0.000 0.302 56 V C 0.683 176.924 176.094 0.245 0.000 1.035 56 V CA 0.087 62.546 62.300 0.264 0.000 0.873 56 V CB 1.490 33.414 31.823 0.169 0.000 0.992 56 V HN 1.137 nan 8.190 nan 0.000 0.428 57 G N 2.956 111.824 108.800 0.113 0.000 2.866 57 G HA2 0.829 4.789 3.960 -0.000 0.000 0.289 57 G HA3 0.829 4.789 3.960 -0.000 0.000 0.289 57 G C -1.898 173.035 174.900 0.055 0.000 1.396 57 G CA -0.702 44.383 45.100 -0.025 0.000 0.848 57 G HN 0.817 nan 8.290 nan 0.000 0.515 58 L N 0.080 121.291 121.223 -0.020 0.000 2.526 58 L HA 0.577 4.917 4.340 -0.000 0.000 0.263 58 L C -1.797 175.065 176.870 -0.013 0.000 0.943 58 L CA -0.847 54.039 54.840 0.077 0.000 0.859 58 L CB 2.262 44.484 42.059 0.272 0.000 1.313 58 L HN 0.447 nan 8.230 nan 0.000 0.406 59 D N 3.054 123.460 120.400 0.011 0.000 2.392 59 D HA 0.911 5.551 4.640 -0.000 0.000 0.246 59 D C -0.852 175.522 176.300 0.123 0.000 1.013 59 D CA -0.134 53.859 54.000 -0.011 0.000 0.993 59 D CB 2.320 43.087 40.800 -0.055 0.000 1.219 59 D HN 0.769 nan 8.370 nan 0.000 0.538 60 A N 0.409 123.319 122.820 0.150 0.000 2.605 60 A HA 0.634 4.954 4.320 -0.000 0.000 0.294 60 A C -1.681 175.973 177.584 0.117 0.000 1.062 60 A CA -0.619 51.504 52.037 0.144 0.000 0.682 60 A CB 1.214 20.321 19.000 0.179 0.000 1.278 60 A HN 0.493 nan 8.150 nan 0.000 0.410 61 I N 0.832 121.447 120.570 0.074 0.000 2.647 61 I HA 0.767 4.937 4.170 -0.000 0.000 0.295 61 I C -0.029 176.115 176.117 0.045 0.000 1.078 61 I CA -0.538 60.796 61.300 0.058 0.000 1.048 61 I CB 2.169 40.185 38.000 0.026 0.000 1.239 61 I HN 0.934 nan 8.210 nan 0.000 0.421 62 G N 7.716 116.547 108.800 0.052 0.000 2.609 62 G HA2 0.659 4.619 3.960 -0.000 0.000 0.308 62 G HA3 0.659 4.619 3.960 -0.000 0.000 0.308 62 G C -1.599 173.336 174.900 0.058 0.000 1.369 62 G CA -0.493 44.630 45.100 0.039 0.000 0.958 62 G HN 0.501 nan 8.290 nan 0.000 0.499 63 L N 2.032 123.280 121.223 0.041 0.000 2.356 63 L HA 0.656 4.996 4.340 -0.000 0.000 0.277 63 L C -1.307 175.605 176.870 0.069 0.000 0.996 63 L CA -0.874 53.987 54.840 0.036 0.000 0.822 63 L CB 2.237 44.272 42.059 -0.041 0.000 1.256 63 L HN 0.491 nan 8.230 nan 0.000 0.413 64 F N 1.550 121.445 119.950 -0.091 0.000 2.581 64 F HA 0.809 5.336 4.527 -0.000 0.000 0.311 64 F C -0.337 175.440 175.800 -0.038 0.000 1.113 64 F CA -0.691 57.226 58.000 -0.138 0.000 0.935 64 F CB 2.278 41.189 39.000 -0.148 0.000 1.232 64 F HN 0.336 nan 8.300 nan 0.000 0.445 65 G N 3.806 112.018 108.800 -0.980 0.000 2.662 65 G HA2 0.595 4.555 3.960 -0.000 0.000 0.302 65 G HA3 0.595 4.555 3.960 -0.000 0.000 0.302 65 G C -2.353 172.161 174.900 -0.642 0.000 1.389 65 G CA -0.821 43.916 45.100 -0.606 0.000 0.998 65 G HN 0.608 nan 8.290 nan 0.000 0.502 66 V N 1.938 121.643 119.914 -0.348 0.000 2.444 66 V HA 0.420 4.540 4.120 -0.000 0.000 0.294 66 V C 0.366 176.375 176.094 -0.141 0.000 1.022 66 V CA -1.125 61.035 62.300 -0.233 0.000 0.850 66 V CB 1.388 33.144 31.823 -0.110 0.000 0.992 66 V HN 0.886 nan 8.190 nan 0.000 0.426 67 K N 4.843 125.176 120.400 -0.113 0.000 2.258 67 K HA 0.585 4.905 4.320 -0.000 0.000 0.264 67 K C -1.092 175.425 176.600 -0.138 0.000 1.007 67 K CA -0.225 55.998 56.287 -0.107 0.000 0.941 67 K CB 0.624 33.074 32.500 -0.083 0.000 0.966 67 K HN 0.613 nan 8.250 nan 0.000 0.480 68 L N 2.151 123.276 121.223 -0.163 0.000 2.845 68 L HA 0.492 4.832 4.340 -0.000 0.000 0.253 68 L C -1.515 175.315 176.870 -0.066 0.000 0.959 68 L CA -0.857 53.849 54.840 -0.222 0.000 1.001 68 L CB 1.008 42.763 42.059 -0.507 0.000 1.374 68 L HN 0.901 nan 8.230 nan 0.000 0.469 77 S N 0.986 116.614 115.700 -0.119 0.000 4.202 77 S HA -0.224 4.246 4.470 -0.000 0.000 0.513 77 S C 0.372 174.819 174.600 -0.256 0.000 1.088 77 S CA 0.846 58.931 58.200 -0.191 0.000 0.938 77 S CB 0.462 63.549 63.200 -0.187 0.000 1.480 77 S HN 0.641 nan 8.310 nan 0.000 0.381 78 E N 1.908 121.895 120.200 -0.354 0.000 2.597 78 E HA 0.112 4.462 4.350 -0.000 0.000 0.256 78 E C 1.463 177.766 176.600 -0.495 0.000 1.120 78 E CA 0.716 56.786 56.400 -0.550 0.000 1.824 78 E CB -0.539 28.592 29.700 -0.949 0.000 3.035 78 E HN 0.640 nan 8.360 nan 0.000 1.045 79 L N 0.884 121.851 121.223 -0.426 0.000 2.556 79 L HA 0.391 4.731 4.340 -0.000 0.000 0.226 79 L C 0.611 177.348 176.870 -0.222 0.000 1.089 79 L CA 0.359 55.011 54.840 -0.314 0.000 0.864 79 L CB 0.363 42.245 42.059 -0.294 0.000 1.067 79 L HN -0.156 nan 8.230 nan 0.000 0.477 80 L N 0.523 121.534 121.223 -0.353 0.000 2.388 80 L HA 0.498 4.838 4.340 -0.000 0.000 0.264 80 L C -2.553 173.953 176.870 -0.608 0.000 0.998 80 L CA -1.838 52.632 54.840 -0.617 0.000 0.817 80 L CB 2.207 44.002 42.059 -0.441 0.000 1.338 80 L HN -0.284 nan 8.230 nan 0.000 0.414 81 P HA 0.110 nan 4.420 nan 0.000 0.275 81 P C -0.457 176.631 177.300 -0.354 0.000 1.276 81 P CA -0.160 62.651 63.100 -0.482 0.000 0.782 81 P CB 0.630 32.051 31.700 -0.464 0.000 0.851 82 L N 5.717 126.803 121.223 -0.229 0.000 2.584 82 L HA -0.018 4.322 4.340 -0.000 0.000 0.272 82 L C 1.564 178.424 176.870 -0.018 0.000 1.195 82 L CA 0.507 55.272 54.840 -0.125 0.000 0.920 82 L CB -0.399 41.612 42.059 -0.080 0.000 1.173 82 L HN 0.620 nan 8.230 nan 0.000 0.489 89 A N 0.629 123.097 122.820 -0.586 0.000 2.615 89 A HA 0.331 4.651 4.320 -0.000 0.000 0.230 89 A C 0.924 178.329 177.584 -0.299 0.000 1.062 89 A CA 1.017 52.563 52.037 -0.819 0.000 0.758 89 A CB 0.140 18.689 19.000 -0.752 0.000 0.995 89 A HN 0.657 nan 8.150 nan 0.000 0.511 90 D N 0.038 120.346 120.400 -0.152 0.000 2.137 90 D HA 0.083 4.723 4.640 -0.000 0.000 0.202 90 D C 0.594 176.868 176.300 -0.043 0.000 0.970 90 D CA 1.922 55.898 54.000 -0.040 0.000 0.837 90 D CB -0.164 40.655 40.800 0.033 0.000 0.981 90 D HN 0.838 nan 8.370 nan 0.000 0.475 91 N N -1.443 117.247 118.700 -0.015 0.000 3.387 91 N HA 0.373 5.113 4.740 -0.000 0.000 0.294 91 N C -1.650 174.003 175.510 0.237 0.000 1.519 91 N CA -0.968 52.102 53.050 0.033 0.000 0.875 91 N CB 1.162 39.623 38.487 -0.042 0.000 1.657 91 N HN 0.001 nan 8.380 nan 0.000 0.527 92 Y N -3.533 116.685 120.300 -0.137 0.000 2.823 92 Y HA 0.714 5.264 4.550 -0.000 0.000 0.377 92 Y C -0.876 175.066 175.900 0.070 0.000 1.158 92 Y CA -0.883 57.211 58.100 -0.010 0.000 1.269 92 Y CB 0.354 38.771 38.460 -0.071 0.000 1.444 92 Y HN 1.189 nan 8.280 nan 0.000 0.497 93 G N 1.429 110.221 108.800 -0.014 0.000 2.488 93 G HA2 0.761 4.721 3.960 -0.000 0.000 0.301 93 G HA3 0.761 4.721 3.960 -0.000 0.000 0.301 93 G C -1.957 172.942 174.900 -0.002 0.000 1.339 93 G CA -1.278 43.788 45.100 -0.056 0.000 0.803 93 G HN 0.830 nan 8.290 nan 0.000 0.482 94 R N -2.009 118.485 120.500 -0.009 0.000 2.747 94 R HA 0.704 5.044 4.340 -0.000 0.000 0.272 94 R C -1.852 174.446 176.300 -0.003 0.000 1.032 94 R CA -0.864 55.234 56.100 -0.003 0.000 0.896 94 R CB 2.180 32.475 30.300 -0.008 0.000 1.253 94 R HN 0.497 nan 8.270 nan 0.000 0.461 95 V N 0.393 120.307 119.914 -0.001 0.000 2.655 95 V HA 0.705 4.825 4.120 -0.000 0.000 0.301 95 V C -0.561 175.541 176.094 0.012 0.000 1.082 95 V CA -0.736 61.566 62.300 0.003 0.000 0.899 95 V CB 2.019 33.836 31.823 -0.010 0.000 1.014 95 V HN 0.935 nan 8.190 nan 0.000 0.429 96 G N 3.080 111.893 108.800 0.023 0.000 2.617 96 G HA2 0.712 4.672 3.960 -0.000 0.000 0.306 96 G HA3 0.712 4.672 3.960 -0.000 0.000 0.306 96 G C -1.198 173.732 174.900 0.050 0.000 1.360 96 G CA -0.537 44.583 45.100 0.033 0.000 0.983 96 G HN 0.542 nan 8.290 nan 0.000 0.496 97 V N 0.278 120.227 119.914 0.060 0.000 3.093 97 V HA 0.947 5.067 4.120 -0.000 0.000 0.320 97 V C 0.404 176.549 176.094 0.085 0.000 1.093 97 V CA -0.529 61.818 62.300 0.078 0.000 1.016 97 V CB 1.729 33.598 31.823 0.077 0.000 1.096 97 V HN 1.384 nan 8.190 nan 0.000 0.452 98 A N 0.897 123.773 122.820 0.093 0.000 2.532 98 A HA 0.824 5.144 4.320 -0.000 0.000 0.296 98 A C -0.553 177.089 177.584 0.097 0.000 1.058 98 A CA -0.015 52.083 52.037 0.101 0.000 0.729 98 A CB 1.140 20.202 19.000 0.102 0.000 1.285 98 A HN 1.510 nan 8.150 nan 0.000 0.396 99 A N 2.089 124.972 122.820 0.105 0.000 2.302 99 A HA 0.741 5.061 4.320 -0.000 0.000 0.285 99 A C 0.050 177.698 177.584 0.106 0.000 1.105 99 A CA -0.228 51.870 52.037 0.103 0.000 0.816 99 A CB 0.446 19.504 19.000 0.098 0.000 1.067 99 A HN 0.704 nan 8.150 nan 0.000 0.489 100 K N 1.114 121.575 120.400 0.101 0.000 2.378 100 K HA 0.675 4.995 4.320 -0.000 0.000 0.252 100 K C -1.533 175.188 176.600 0.202 0.000 0.931 100 K CA -0.295 56.073 56.287 0.135 0.000 0.794 100 K CB 2.065 34.597 32.500 0.054 0.000 1.181 100 K HN 0.596 nan 8.250 nan 0.000 0.425 101 L N 2.320 123.679 121.223 0.227 0.000 2.386 101 L HA 0.589 4.929 4.340 -0.000 0.000 0.271 101 L C -0.599 176.390 176.870 0.199 0.000 0.993 101 L CA -0.906 54.058 54.840 0.206 0.000 0.819 101 L CB 2.226 44.360 42.059 0.124 0.000 1.294 101 L HN 0.553 nan 8.230 nan 0.000 0.414 102 R N 2.210 122.788 120.500 0.130 0.000 2.515 102 R HA 0.643 4.983 4.340 -0.000 0.000 0.291 102 R C -2.105 174.162 176.300 -0.054 0.000 1.046 102 R CA -0.449 55.630 56.100 -0.035 0.000 0.914 102 R CB 2.548 32.619 30.300 -0.381 0.000 1.191 102 R HN 0.409 nan 8.270 nan 0.000 0.435 103 V N 5.112 125.004 119.914 -0.036 0.000 2.398 103 V HA 0.437 4.557 4.120 -0.000 0.000 0.282 103 V C 0.155 176.231 176.094 -0.031 0.000 1.014 103 V CA 0.965 63.248 62.300 -0.027 0.000 0.838 103 V CB 0.873 32.694 31.823 -0.002 0.000 1.018 103 V HN 1.124 nan 8.190 nan 0.000 0.432 104 S N 5.514 121.188 115.700 -0.044 0.000 4.142 104 S HA -0.219 4.251 4.470 -0.000 0.000 0.624 104 S C 0.859 175.436 174.600 -0.038 0.000 1.892 104 S CA 1.482 59.661 58.200 -0.034 0.000 4.236 104 S CB -1.568 61.623 63.200 -0.016 0.000 0.204 104 S HN 2.611 nan 8.310 nan 0.000 0.486 105 A N 1.369 124.178 122.820 -0.017 0.000 3.257 105 A HA 0.734 5.054 4.320 -0.000 0.000 0.308 105 A C -0.005 177.582 177.584 0.005 0.000 1.175 105 A CA 0.669 52.702 52.037 -0.007 0.000 1.018 105 A CB 0.006 19.010 19.000 0.006 0.000 1.088 105 A HN 1.013 nan 8.150 nan 0.000 0.567 106 S N -0.300 115.399 115.700 -0.001 0.000 2.550 106 S HA 0.605 5.075 4.470 -0.000 0.000 0.270 106 S C -1.117 173.498 174.600 0.026 0.000 1.145 106 S CA -0.705 57.508 58.200 0.022 0.000 0.852 106 S CB 2.022 65.235 63.200 0.022 0.000 1.119 106 S HN 0.626 nan 8.310 nan 0.000 0.465 107 E N 1.475 121.713 120.200 0.063 0.000 2.335 107 E HA 0.534 4.884 4.350 -0.000 0.000 0.280 107 E C -2.029 174.649 176.600 0.129 0.000 0.918 107 E CA -0.536 55.922 56.400 0.097 0.000 0.765 107 E CB 1.619 31.390 29.700 0.118 0.000 1.218 107 E HN 0.585 nan 8.360 nan 0.000 0.425 108 L N 3.765 125.075 121.223 0.145 0.000 2.385 108 L HA 0.601 4.941 4.340 -0.000 0.000 0.273 108 L C -1.321 175.657 176.870 0.179 0.000 0.990 108 L CA -0.628 54.310 54.840 0.163 0.000 0.821 108 L CB 1.441 43.578 42.059 0.130 0.000 1.279 108 L HN 0.516 nan 8.230 nan 0.000 0.412 109 K N 5.969 126.492 120.400 0.205 0.000 2.324 109 K HA 0.647 4.967 4.320 -0.000 0.000 0.253 109 K C -1.339 175.401 176.600 0.234 0.000 0.932 109 K CA -0.653 55.752 56.287 0.196 0.000 0.799 109 K CB 2.752 35.365 32.500 0.188 0.000 1.154 109 K HN 0.507 nan 8.250 nan 0.000 0.425 110 I N 1.589 122.276 120.570 0.196 0.000 2.533 110 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 110 I C 0.377 176.602 176.117 0.181 0.000 1.056 110 I CA -0.400 61.026 61.300 0.210 0.000 1.057 110 I CB 1.926 40.013 38.000 0.144 0.000 1.240 110 I HN 0.932 nan 8.210 nan 0.000 0.423 111 G N 5.171 114.095 108.800 0.207 0.000 2.255 111 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 111 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 111 G C -1.267 173.743 174.900 0.183 0.000 1.307 111 G CA -0.693 44.508 45.100 0.168 0.000 1.162 111 G HN 0.658 nan 8.290 nan 0.000 0.494 112 E N 0.907 121.185 120.200 0.130 0.000 2.174 112 E HA 0.653 5.003 4.350 -0.000 0.000 0.282 112 E C 0.641 177.288 176.600 0.079 0.000 0.992 112 E CA -0.554 55.908 56.400 0.104 0.000 0.803 112 E CB 0.491 30.228 29.700 0.061 0.000 1.090 112 E HN 0.722 nan 8.360 nan 0.000 0.396 113 M N 2.096 121.732 119.600 0.061 0.000 3.223 113 M HA 0.419 4.899 4.480 -0.000 0.000 0.282 113 M C -1.387 174.844 176.300 -0.114 0.000 1.346 113 M CA -1.070 54.231 55.300 0.003 0.000 0.789 113 M CB 1.234 33.881 32.600 0.079 0.000 1.724 113 M HN 0.307 nan 8.290 nan 0.000 0.447 114 L N 1.375 122.464 121.223 -0.225 0.000 2.502 114 L HA 0.478 4.818 4.340 -0.000 0.000 0.247 114 L C -2.442 174.199 176.870 -0.382 0.000 1.180 114 L CA -1.631 52.888 54.840 -0.536 0.000 0.956 114 L CB 0.518 41.956 42.059 -1.036 0.000 1.282 114 L HN 0.371 nan 8.230 nan 0.000 0.470 115 P HA -0.056 nan 4.420 nan 0.000 0.260 115 P C -0.396 176.916 177.300 0.020 0.000 1.172 115 P CA 0.436 63.423 63.100 -0.187 0.000 0.760 115 P CB 0.540 31.838 31.700 -0.670 0.000 0.773 116 D N 3.323 123.768 120.400 0.074 0.000 2.879 116 D HA 0.182 4.822 4.640 -0.000 0.000 0.351 116 D C -0.194 176.099 176.300 -0.012 0.000 1.239 116 D CA -0.334 53.740 54.000 0.123 0.000 0.771 116 D CB -0.455 40.487 40.800 0.237 0.000 1.176 116 D HN 0.228 nan 8.370 nan 0.000 0.496 117 I N -3.512 116.973 120.570 -0.142 0.000 2.947 117 I HA 0.628 4.798 4.170 -0.000 0.000 0.314 117 I C -1.683 174.190 176.117 -0.406 0.000 1.028 117 I CA -2.690 58.405 61.300 -0.342 0.000 1.077 117 I CB 1.487 39.191 38.000 -0.494 0.000 1.274 117 I HN -0.285 nan 8.210 nan 0.000 0.485 118 P HA -0.126 nan 4.420 nan 0.000 0.215 118 P C 1.331 178.477 177.300 -0.257 0.000 1.157 118 P CA 1.587 64.412 63.100 -0.459 0.000 0.874 118 P CB 0.081 31.387 31.700 -0.658 0.000 0.790 119 L N -2.139 118.948 121.223 -0.227 0.000 2.629 119 L HA 0.204 4.544 4.340 -0.000 0.000 0.230 119 L C 0.415 177.249 176.870 -0.060 0.000 1.151 119 L CA 0.012 54.886 54.840 0.057 0.000 0.924 119 L CB -0.082 42.178 42.059 0.336 0.000 1.137 119 L HN 0.006 nan 8.230 nan 0.000 0.457 120 L N 0.714 121.823 121.223 -0.191 0.000 2.847 120 L HA 0.245 4.585 4.340 -0.000 0.000 0.243 120 L C -0.926 175.802 176.870 -0.237 0.000 0.978 120 L CA -0.146 54.505 54.840 -0.314 0.000 1.030 120 L CB 0.557 42.316 42.059 -0.500 0.000 1.351 120 L HN 0.018 nan 8.230 nan 0.000 0.512 121 R N 4.180 124.603 120.500 -0.128 0.000 2.215 121 R HA 0.368 4.708 4.340 -0.000 0.000 0.337 121 R C -0.799 175.495 176.300 -0.009 0.000 1.010 121 R CA -0.780 55.277 56.100 -0.072 0.000 0.871 121 R CB 0.698 30.948 30.300 -0.084 0.000 1.134 121 R HN 0.584 nan 8.270 nan 0.000 0.477 122 Y N 0.188 120.465 120.300 -0.037 0.000 2.683 122 Y HA -0.001 4.549 4.550 -0.000 0.000 0.340 122 Y C 0.129 176.066 175.900 0.062 0.000 1.245 122 Y CA -0.316 57.841 58.100 0.095 0.000 1.485 122 Y CB 0.385 38.910 38.460 0.109 0.000 1.328 122 Y HN 0.410 nan 8.280 nan 0.000 0.603 123 D N 1.972 122.412 120.400 0.066 0.000 2.210 123 D HA 0.123 4.763 4.640 -0.000 0.000 0.249 123 D C -0.996 175.281 176.300 -0.038 0.000 1.062 123 D CA -0.127 53.840 54.000 -0.056 0.000 0.891 123 D CB 1.318 42.128 40.800 0.016 0.000 1.186 123 D HN 0.853 nan 8.370 nan 0.000 0.432 124 D N 1.219 121.562 120.400 -0.094 0.000 2.996 124 D HA 0.217 4.857 4.640 -0.000 0.000 0.343 124 D C 0.510 176.817 176.300 0.012 0.000 1.574 124 D CA -0.367 53.627 54.000 -0.011 0.000 0.773 124 D CB 0.073 40.862 40.800 -0.019 0.000 1.241 124 D HN 0.431 nan 8.370 nan 0.000 0.469 125 G N 0.457 109.267 108.800 0.017 0.000 3.448 125 G HA2 0.146 4.106 3.960 -0.000 0.000 0.261 125 G HA3 0.146 4.106 3.960 -0.000 0.000 0.261 125 G C 0.826 175.812 174.900 0.144 0.000 1.173 125 G CA -0.115 45.020 45.100 0.058 0.000 0.835 125 G HN -0.031 nan 8.290 nan 0.000 0.534 126 R N -1.544 119.035 120.500 0.132 0.000 3.404 126 R HA 0.419 4.759 4.340 -0.000 0.000 0.243 126 R C 0.817 177.196 176.300 0.132 0.000 1.474 126 R CA -0.873 55.234 56.100 0.013 0.000 1.018 126 R CB -0.505 29.677 30.300 -0.196 0.000 1.568 126 R HN 0.062 nan 8.270 nan 0.000 0.498 127 L N 0.752 121.941 121.223 -0.057 0.000 2.007 127 L HA 0.119 4.459 4.340 -0.000 0.000 0.205 127 L C 0.161 177.075 176.870 0.073 0.000 1.073 127 L CA 1.933 56.818 54.840 0.075 0.000 0.744 127 L CB 0.032 42.092 42.059 0.001 0.000 0.898 127 L HN 0.159 nan 8.230 nan 0.000 0.435 128 L N -0.620 120.627 121.223 0.041 0.000 2.322 128 L HA 0.484 4.824 4.340 -0.000 0.000 0.269 128 L C -2.262 174.637 176.870 0.048 0.000 1.012 128 L CA -2.076 52.777 54.840 0.021 0.000 0.815 128 L CB 0.429 42.448 42.059 -0.067 0.000 1.295 128 L HN -0.075 nan 8.230 nan 0.000 0.438 129 P HA 0.137 nan 4.420 nan 0.000 0.275 129 P C -0.690 176.660 177.300 0.084 0.000 1.228 129 P CA -0.388 62.790 63.100 0.130 0.000 0.786 129 P CB 0.572 32.370 31.700 0.164 0.000 0.927 130 Q N 1.351 121.233 119.800 0.137 0.000 2.352 130 Q HA 0.308 4.648 4.340 -0.000 0.000 0.260 130 Q C -0.628 175.364 176.000 -0.013 0.000 0.976 130 Q CA 0.177 55.988 55.803 0.014 0.000 0.881 130 Q CB 0.420 29.178 28.738 0.034 0.000 1.235 130 Q HN 0.363 nan 8.270 nan 0.000 0.419 131 T N 3.118 117.555 114.554 -0.195 0.000 2.900 131 T HA 0.639 4.989 4.350 -0.000 0.000 0.295 131 T C -1.513 172.966 174.700 -0.369 0.000 1.044 131 T CA -0.481 61.514 62.100 -0.175 0.000 0.995 131 T CB 0.520 69.323 68.868 -0.107 0.000 1.072 131 T HN 0.488 nan 8.240 nan 0.000 0.473 132 F N 1.930 121.757 119.950 -0.206 0.000 2.556 132 F HA 0.706 5.233 4.527 0.000 0.000 0.327 132 F C 0.598 176.348 175.800 -0.083 0.000 1.059 132 F CA -1.074 56.787 58.000 -0.233 0.000 0.953 132 F CB 1.905 40.525 39.000 -0.634 0.000 1.227 132 F HN 0.277 nan 8.300 nan 0.000 0.478 133 R N 0.709 121.370 120.500 0.268 0.000 2.561 133 R HA 0.730 5.070 4.340 -0.000 0.000 0.297 133 R C -0.385 176.201 176.300 0.477 0.000 0.969 133 R CA -0.304 55.976 56.100 0.300 0.000 0.879 133 R CB 1.792 32.202 30.300 0.184 0.000 1.178 133 R HN 0.936 nan 8.270 nan 0.000 0.445 134 G N 2.725 111.805 108.800 0.467 0.000 2.491 134 G HA2 0.127 4.087 3.960 -0.000 0.000 0.183 134 G HA3 0.127 4.087 3.960 -0.000 0.000 0.183 134 G C -1.807 173.332 174.900 0.398 0.000 1.221 134 G CA -0.257 45.093 45.100 0.417 0.000 0.996 134 G HN 0.534 nan 8.290 nan 0.000 0.474 135 F N -0.546 119.438 119.950 0.056 0.000 2.626 135 F HA 0.984 5.511 4.527 -0.000 0.000 0.311 135 F C -0.261 175.498 175.800 -0.067 0.000 1.088 135 F CA -0.897 57.126 58.000 0.039 0.000 0.949 135 F CB 1.669 40.672 39.000 0.006 0.000 1.322 135 F HN 1.545 nan 8.300 nan 0.000 0.461 136 A N 1.284 124.143 122.820 0.064 0.000 2.587 136 A HA 0.840 5.160 4.320 -0.000 0.000 0.293 136 A C -2.148 175.540 177.584 0.174 0.000 1.087 136 A CA -0.845 51.191 52.037 -0.001 0.000 0.692 136 A CB 1.805 20.936 19.000 0.219 0.000 1.291 136 A HN 1.147 nan 8.150 nan 0.000 0.407 137 V N 0.831 120.823 119.914 0.129 0.000 2.623 137 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 137 V C -0.791 175.384 176.094 0.135 0.000 1.054 137 V CA -0.576 61.810 62.300 0.142 0.000 0.882 137 V CB 1.607 33.502 31.823 0.121 0.000 1.002 137 V HN 0.742 nan 8.190 nan 0.000 0.424 138 V N 3.250 123.246 119.914 0.136 0.000 2.417 138 V HA 0.640 4.760 4.120 -0.000 0.000 0.291 138 V C 0.042 176.190 176.094 0.090 0.000 1.024 138 V CA -0.194 62.184 62.300 0.131 0.000 0.861 138 V CB 1.885 33.798 31.823 0.149 0.000 0.985 138 V HN 0.874 nan 8.190 nan 0.000 0.436 139 S N 4.973 120.716 115.700 0.072 0.000 2.561 139 S HA 0.596 5.066 4.470 -0.000 0.000 0.303 139 S C -0.029 174.600 174.600 0.047 0.000 1.110 139 S CA -0.747 57.482 58.200 0.048 0.000 1.034 139 S CB 0.820 64.039 63.200 0.031 0.000 1.010 139 S HN 0.745 nan 8.310 nan 0.000 0.482 140 R N 2.927 123.453 120.500 0.044 0.000 2.727 140 R HA 0.209 4.549 4.340 -0.000 0.000 0.410 140 R C 0.541 176.864 176.300 0.038 0.000 1.101 140 R CA -0.521 55.608 56.100 0.048 0.000 1.045 140 R CB 0.436 30.768 30.300 0.054 0.000 1.380 140 R HN 0.541 nan 8.270 nan 0.000 0.587 141 E N 0.981 121.198 120.200 0.028 0.000 1.992 141 E HA -0.113 4.237 4.350 -0.000 0.000 0.202 141 E C 0.589 177.207 176.600 0.030 0.000 1.007 141 E CA 1.084 57.497 56.400 0.021 0.000 0.857 141 E CB -0.248 29.459 29.700 0.012 0.000 0.796 141 E HN 0.066 nan 8.360 nan 0.000 0.486 142 L N 3.092 124.333 121.223 0.030 0.000 2.543 142 L HA -0.011 4.329 4.340 -0.000 0.000 0.285 142 L C -1.888 175.024 176.870 0.071 0.000 1.236 142 L CA -0.403 54.462 54.840 0.041 0.000 0.871 142 L CB -0.994 41.083 42.059 0.030 0.000 1.121 142 L HN 0.087 nan 8.230 nan 0.000 0.501 143 P HA 0.118 nan 4.420 nan 0.000 0.271 143 P C 0.832 178.223 177.300 0.153 0.000 1.220 143 P CA 0.671 63.828 63.100 0.096 0.000 0.768 143 P CB 1.159 32.906 31.700 0.079 0.000 0.848 144 G N 2.528 111.402 108.800 0.123 0.000 2.284 144 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.247 144 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.247 144 G C -0.129 174.897 174.900 0.210 0.000 1.012 144 G CA 0.041 45.211 45.100 0.118 0.000 0.618 144 G HN 0.589 nan 8.290 nan 0.000 0.521 145 L N 1.098 122.476 121.223 0.257 0.000 2.325 145 L HA 0.750 5.090 4.340 -0.000 0.000 0.279 145 L C 0.151 177.097 176.870 0.126 0.000 1.054 145 L CA -0.240 54.743 54.840 0.240 0.000 0.804 145 L CB 1.545 43.704 42.059 0.166 0.000 1.200 145 L HN 0.563 nan 8.230 nan 0.000 0.436 146 A N 5.442 128.323 122.820 0.101 0.000 2.353 146 A HA 0.668 4.988 4.320 -0.000 0.000 0.299 146 A C -1.594 175.997 177.584 0.011 0.000 1.089 146 A CA -0.509 51.572 52.037 0.072 0.000 0.736 146 A CB 1.300 20.365 19.000 0.108 0.000 1.195 146 A HN 0.461 nan 8.150 nan 0.000 0.447 147 L N 1.845 123.069 121.223 0.000 0.000 2.329 147 L HA 0.613 4.953 4.340 -0.000 0.000 0.279 147 L C 0.192 177.057 176.870 -0.009 0.000 1.014 147 L CA 0.171 54.980 54.840 -0.052 0.000 0.814 147 L CB 1.475 43.509 42.059 -0.042 0.000 1.257 147 L HN 0.863 nan 8.230 nan 0.000 0.424 148 Q N 1.462 121.238 119.800 -0.040 0.000 2.451 148 Q HA 0.956 5.296 4.340 -0.000 0.000 0.281 148 Q C -1.384 174.646 176.000 0.050 0.000 1.099 148 Q CA -1.016 54.848 55.803 0.101 0.000 0.806 148 Q CB 3.150 32.087 28.738 0.331 0.000 1.419 148 Q HN 0.758 nan 8.270 nan 0.000 0.427 149 A N 0.025 122.820 122.820 -0.042 0.000 2.586 149 A HA 0.930 5.250 4.320 -0.000 0.000 0.291 149 A C -1.096 176.000 177.584 -0.813 0.000 1.062 149 A CA 0.071 51.823 52.037 -0.475 0.000 0.666 149 A CB 1.664 20.513 19.000 -0.252 0.000 1.281 149 A HN 0.917 nan 8.150 nan 0.000 0.421 150 G N -0.548 107.413 108.800 -1.398 0.000 2.320 150 G HA2 0.609 4.569 3.960 -0.000 0.000 0.297 150 G HA3 0.609 4.569 3.960 -0.000 0.000 0.297 150 G C -1.408 172.587 174.900 -1.509 0.000 1.344 150 G CA -0.107 44.078 45.100 -1.524 0.000 0.851 150 G HN 1.246 nan 8.290 nan 0.000 0.567 151 R N -1.061 118.454 120.500 -1.642 0.000 2.668 151 R HA 0.764 5.104 4.340 -0.000 0.000 0.272 151 R C -1.894 173.936 176.300 -0.783 0.000 1.019 151 R CA -0.791 54.774 56.100 -0.891 0.000 0.894 151 R CB 1.415 31.458 30.300 -0.428 0.000 1.228 151 R HN 0.393 nan 8.270 nan 0.000 0.460 152 F N 2.671 122.699 119.950 0.131 0.000 2.539 152 F HA 0.266 4.793 4.527 -0.000 0.000 0.318 152 F C 0.483 176.419 175.800 0.226 0.000 1.135 152 F CA -1.018 57.111 58.000 0.215 0.000 0.915 152 F CB 2.114 41.288 39.000 0.290 0.000 1.176 152 F HN 0.633 nan 8.300 nan 0.000 0.440 153 D N 0.663 121.282 120.400 0.364 0.000 2.417 153 D HA 0.375 5.015 4.640 -0.000 0.000 0.207 153 D C 0.199 176.629 176.300 0.217 0.000 1.075 153 D CA 0.272 54.422 54.000 0.250 0.000 0.851 153 D CB 0.831 41.742 40.800 0.186 0.000 0.976 153 D HN 0.388 nan 8.370 nan 0.000 0.505 154 A N 0.247 123.212 122.820 0.241 0.000 2.515 154 A HA 0.660 4.980 4.320 -0.000 0.000 0.296 154 A C -1.226 176.397 177.584 0.065 0.000 1.094 154 A CA -0.626 51.491 52.037 0.134 0.000 0.718 154 A CB 2.360 21.417 19.000 0.094 0.000 1.307 154 A HN 0.004 nan 8.150 nan 0.000 0.408 155 V N -0.038 119.821 119.914 -0.092 0.000 2.971 155 V HA 0.747 4.867 4.120 -0.000 0.000 0.309 155 V C -0.225 175.688 176.094 -0.303 0.000 1.130 155 V CA -0.556 61.513 62.300 -0.386 0.000 0.964 155 V CB 2.154 33.635 31.823 -0.570 0.000 1.029 155 V HN 1.003 nan 8.190 nan 0.000 0.427 156 S N 3.269 118.742 115.700 -0.377 0.000 2.669 156 S HA 0.610 5.080 4.470 -0.000 0.000 0.315 156 S C -0.641 173.806 174.600 -0.255 0.000 1.106 156 S CA -0.481 57.583 58.200 -0.227 0.000 1.107 156 S CB 0.318 63.434 63.200 -0.140 0.000 0.990 156 S HN 0.496 nan 8.310 nan 0.000 0.471 157 L N 4.800 125.889 121.223 -0.224 0.000 2.516 157 L HA 0.173 4.513 4.340 -0.000 0.000 0.288 157 L C 2.004 178.795 176.870 -0.131 0.000 1.246 157 L CA 0.617 55.322 54.840 -0.225 0.000 0.844 157 L CB 0.062 41.987 42.059 -0.223 0.000 1.106 157 L HN 0.795 nan 8.230 nan 0.000 0.509 158 R N 1.536 121.966 120.500 -0.116 0.000 2.091 158 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 158 R C 0.614 176.920 176.300 0.011 0.000 1.136 158 R CA 1.989 58.064 56.100 -0.042 0.000 0.959 158 R CB -0.839 29.434 30.300 -0.045 0.000 0.856 158 R HN 0.806 nan 8.270 nan 0.000 0.437 159 N N 0.305 118.970 118.700 -0.058 0.000 3.052 159 N HA 0.091 4.831 4.740 -0.000 0.000 0.302 159 N C -1.002 174.444 175.510 -0.107 0.000 1.332 159 N CA -0.354 52.641 53.050 -0.092 0.000 1.129 159 N CB 0.791 39.161 38.487 -0.196 0.000 1.436 159 N HN 0.155 nan 8.380 nan 0.000 0.536 160 S N -0.781 114.958 115.700 0.066 0.000 2.542 160 S HA 0.505 4.975 4.470 -0.000 0.000 0.276 160 S C -0.174 174.529 174.600 0.172 0.000 1.148 160 S CA -0.429 57.799 58.200 0.046 0.000 0.886 160 S CB 1.233 64.410 63.200 -0.038 0.000 1.109 160 S HN 0.333 nan 8.310 nan 0.000 0.458 161 A N 2.591 125.535 122.820 0.208 0.000 2.147 161 A HA 0.309 4.629 4.320 -0.000 0.000 0.211 161 A C 0.297 177.916 177.584 0.059 0.000 1.160 161 A CA 0.455 52.587 52.037 0.159 0.000 0.781 161 A CB -0.198 18.925 19.000 0.205 0.000 0.842 161 A HN 0.777 nan 8.150 nan 0.000 0.475 162 D N -0.233 120.187 120.400 0.033 0.000 2.277 162 D HA 0.387 5.027 4.640 -0.000 0.000 0.250 162 D C -0.119 176.169 176.300 -0.020 0.000 1.032 162 D CA -0.068 53.937 54.000 0.007 0.000 0.947 162 D CB 0.713 41.516 40.800 0.006 0.000 1.159 162 D HN 0.020 nan 8.370 nan 0.000 0.460 163 M N 1.104 120.693 119.600 -0.018 0.000 2.264 163 M HA 0.205 4.685 4.480 -0.000 0.000 0.352 163 M C 0.199 176.485 176.300 -0.023 0.000 1.173 163 M CA -0.306 54.975 55.300 -0.032 0.000 1.075 163 M CB 1.470 34.064 32.600 -0.010 0.000 1.621 163 M HN 0.426 nan 8.290 nan 0.000 0.457 164 Q N 0.910 120.689 119.800 -0.035 0.000 2.857 164 Q HA 0.553 4.893 4.340 -0.000 0.000 0.319 164 Q C -1.542 174.458 176.000 0.000 0.000 0.963 164 Q CA -1.062 54.731 55.803 -0.016 0.000 0.770 164 Q CB 1.281 30.005 28.738 -0.023 0.000 1.492 164 Q HN 0.364 nan 8.270 nan 0.000 0.493 165 D N 0.775 121.183 120.400 0.014 0.000 2.302 165 D HA 0.369 5.009 4.640 -0.000 0.000 0.248 165 D C -0.366 175.959 176.300 0.041 0.000 1.094 165 D CA -0.262 53.761 54.000 0.039 0.000 0.897 165 D CB 0.844 41.665 40.800 0.035 0.000 1.200 165 D HN 0.281 nan 8.370 nan 0.000 0.429 166 L N 1.377 122.650 121.223 0.083 0.000 2.476 166 L HA 0.343 4.682 4.340 -0.000 0.000 0.264 166 L C 0.864 177.779 176.870 0.075 0.000 1.224 166 L CA 0.493 55.394 54.840 0.101 0.000 0.821 166 L CB 0.269 42.441 42.059 0.189 0.000 1.101 166 L HN 0.558 nan 8.230 nan 0.000 0.488 167 S N -0.963 114.780 115.700 0.071 0.000 2.615 167 S HA 0.839 5.309 4.470 -0.000 0.000 0.268 167 S C -0.958 173.682 174.600 0.067 0.000 1.146 167 S CA -0.660 57.566 58.200 0.043 0.000 0.818 167 S CB 0.822 63.992 63.200 -0.050 0.000 1.111 167 S HN 0.808 nan 8.310 nan 0.000 0.465 168 A N -0.237 122.631 122.820 0.081 0.000 2.286 168 A HA 0.637 4.957 4.320 -0.000 0.000 0.286 168 A C 0.188 177.799 177.584 0.045 0.000 1.097 168 A CA -0.790 51.317 52.037 0.115 0.000 0.821 168 A CB -0.064 19.039 19.000 0.171 0.000 1.076 168 A HN 0.968 nan 8.150 nan 0.000 0.490 169 W N 0.612 121.937 121.300 0.042 0.000 2.402 169 W HA -0.149 4.511 4.660 -0.000 0.000 0.286 169 W C 2.444 178.952 176.519 -0.019 0.000 1.221 169 W CA 1.809 59.207 57.345 0.088 0.000 1.257 169 W CB 0.087 29.571 29.460 0.039 0.000 1.120 169 W HN 0.791 nan 8.180 nan 0.000 0.551 170 S N -0.393 115.408 115.700 0.168 0.000 2.603 170 S HA 0.307 4.777 4.470 -0.000 0.000 0.229 170 S C 0.725 175.339 174.600 0.024 0.000 0.972 170 S CA 0.434 58.678 58.200 0.073 0.000 0.935 170 S CB -0.148 63.056 63.200 0.007 0.000 0.769 170 S HN 0.157 nan 8.310 nan 0.000 0.536 171 A N 0.755 123.564 122.820 -0.018 0.000 3.192 171 A HA 0.548 4.868 4.320 -0.000 0.000 0.225 171 A C -2.158 175.312 177.584 -0.190 0.000 1.208 171 A CA -0.676 51.317 52.037 -0.074 0.000 1.176 171 A CB -0.065 18.918 19.000 -0.030 0.000 1.318 171 A HN 0.209 nan 8.150 nan 0.000 0.804 172 P HA -0.261 nan 4.420 nan 0.000 0.218 172 P C 1.907 178.919 177.300 -0.480 0.000 1.152 172 P CA 2.725 65.345 63.100 -0.799 0.000 0.857 172 P CB 0.038 30.992 31.700 -1.243 0.000 0.787 173 T N -4.753 109.628 114.554 -0.288 0.000 2.995 173 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 173 T C 0.904 175.536 174.700 -0.113 0.000 1.091 173 T CA 0.535 62.529 62.100 -0.177 0.000 1.128 173 T CB -0.586 68.209 68.868 -0.122 0.000 0.891 173 T HN 0.034 nan 8.240 nan 0.000 0.492 174 Q N 2.361 122.103 119.800 -0.096 0.000 2.344 174 Q HA 0.315 4.655 4.340 -0.000 0.000 0.253 174 Q C -0.249 175.732 176.000 -0.031 0.000 1.050 174 Q CA -0.074 55.702 55.803 -0.046 0.000 0.912 174 Q CB 0.866 29.591 28.738 -0.021 0.000 1.258 174 Q HN 0.327 nan 8.270 nan 0.000 0.443 175 K N 1.072 121.460 120.400 -0.021 0.000 2.219 175 K HA 0.302 4.622 4.320 -0.000 0.000 0.258 175 K C 0.280 176.894 176.600 0.023 0.000 1.008 175 K CA -0.169 56.118 56.287 -0.000 0.000 0.928 175 K CB 1.035 33.535 32.500 0.000 0.000 0.983 175 K HN 0.496 nan 8.250 nan 0.000 0.484 176 S N -0.081 115.644 115.700 0.042 0.000 2.638 176 S HA 0.264 4.734 4.470 -0.000 0.000 0.302 176 S C 0.155 174.795 174.600 0.066 0.000 1.096 176 S CA -0.696 57.537 58.200 0.055 0.000 0.953 176 S CB 1.084 64.327 63.200 0.072 0.000 1.107 176 S HN 0.464 nan 8.310 nan 0.000 0.503 177 D N 1.169 121.607 120.400 0.063 0.000 2.289 177 D HA 0.237 4.877 4.640 -0.000 0.000 0.207 177 D C 0.813 177.172 176.300 0.098 0.000 0.966 177 D CA 0.933 54.974 54.000 0.068 0.000 0.868 177 D CB 0.406 41.236 40.800 0.051 0.000 0.943 177 D HN 0.727 nan 8.370 nan 0.000 0.514 178 G N 0.040 108.910 108.800 0.117 0.000 2.328 178 G HA2 0.323 4.283 3.960 -0.000 0.000 0.295 178 G HA3 0.323 4.283 3.960 -0.000 0.000 0.295 178 G C -2.213 172.815 174.900 0.213 0.000 1.413 178 G CA -0.917 44.286 45.100 0.172 0.000 0.817 178 G HN 0.025 nan 8.290 nan 0.000 0.546 179 F N 1.943 121.954 119.950 0.102 0.000 2.553 179 F HA 0.614 5.141 4.527 -0.000 0.000 0.335 179 F C -0.444 175.409 175.800 0.088 0.000 1.148 179 F CA -1.096 56.956 58.000 0.087 0.000 0.963 179 F CB 1.361 40.447 39.000 0.144 0.000 1.217 179 F HN 0.663 nan 8.300 nan 0.000 0.441 180 N N 4.424 122.848 118.700 -0.461 0.000 2.404 180 N HA 0.721 5.461 4.740 -0.000 0.000 0.297 180 N C -1.419 173.808 175.510 -0.471 0.000 1.163 180 N CA -0.529 52.273 53.050 -0.414 0.000 0.864 180 N CB 1.880 40.193 38.487 -0.291 0.000 1.247 180 N HN 0.522 nan 8.380 nan 0.000 0.510 181 Y N -3.098 116.971 120.300 -0.384 0.000 2.744 181 Y HA 0.910 5.460 4.550 -0.000 0.000 0.330 181 Y C -1.777 174.104 175.900 -0.031 0.000 1.263 181 Y CA -1.784 56.210 58.100 -0.177 0.000 1.065 181 Y CB 0.813 39.259 38.460 -0.024 0.000 1.306 181 Y HN 0.875 nan 8.280 nan 0.000 0.459 182 A N 0.275 123.240 122.820 0.242 0.000 2.565 182 A HA 0.779 5.099 4.320 -0.000 0.000 0.298 182 A C -0.884 176.785 177.584 0.141 0.000 1.062 182 A CA -0.026 52.075 52.037 0.106 0.000 0.723 182 A CB 0.954 19.955 19.000 0.002 0.000 1.282 182 A HN 1.916 nan 8.150 nan 0.000 0.400 183 G N -0.572 108.108 108.800 -0.199 0.000 2.682 183 G HA2 0.992 4.952 3.960 -0.000 0.000 0.290 183 G HA3 0.992 4.952 3.960 -0.000 0.000 0.290 183 G C -0.875 173.500 174.900 -0.876 0.000 1.425 183 G CA 0.125 44.665 45.100 -0.934 0.000 0.807 183 G HN 2.160 nan 8.290 nan 0.000 0.482 184 A N -0.142 122.100 122.820 -0.964 0.000 2.520 184 A HA 0.841 5.161 4.320 -0.000 0.000 0.298 184 A C -1.058 176.346 177.584 -0.300 0.000 1.051 184 A CA -0.582 51.179 52.037 -0.460 0.000 0.690 184 A CB 1.773 20.622 19.000 -0.251 0.000 1.281 184 A HN 0.535 nan 8.150 nan 0.000 0.402 185 E N 0.681 120.843 120.200 -0.063 0.000 2.260 185 E HA 0.355 4.705 4.350 -0.000 0.000 0.266 185 E C -2.179 174.543 176.600 0.203 0.000 0.887 185 E CA -0.464 56.004 56.400 0.114 0.000 0.777 185 E CB 2.473 32.293 29.700 0.201 0.000 1.205 185 E HN 0.554 nan 8.360 nan 0.000 0.414 186 Y N 2.850 123.204 120.300 0.090 0.000 2.345 186 Y HA 0.415 4.965 4.550 -0.000 0.000 0.331 186 Y C -0.881 175.168 175.900 0.248 0.000 0.959 186 Y CA -1.225 56.955 58.100 0.133 0.000 1.204 186 Y CB 0.840 39.355 38.460 0.092 0.000 1.135 186 Y HN 0.408 nan 8.280 nan 0.000 0.477 187 R N 6.842 127.260 120.500 -0.136 0.000 2.229 187 R HA 0.569 4.909 4.340 -0.000 0.000 0.328 187 R C -1.617 174.496 176.300 -0.313 0.000 1.009 187 R CA -0.217 55.781 56.100 -0.170 0.000 0.864 187 R CB 0.025 30.283 30.300 -0.071 0.000 1.085 187 R HN 0.563 nan 8.270 nan 0.000 0.453 188 F N 0.802 120.504 119.950 -0.413 0.000 3.168 188 F HA 0.464 4.991 4.527 -0.000 0.000 0.330 188 F C -0.182 175.541 175.800 -0.129 0.000 1.220 188 F CA -1.155 56.642 58.000 -0.338 0.000 0.960 188 F CB 0.503 39.236 39.000 -0.446 0.000 1.501 188 F HN 0.694 nan 8.300 nan 0.000 0.521 189 N N 1.873 120.598 118.700 0.042 0.000 2.738 189 N HA -0.290 4.450 4.740 -0.000 0.000 0.249 189 N C -0.063 175.410 175.510 -0.062 0.000 1.047 189 N CA 0.731 53.766 53.050 -0.025 0.000 0.707 189 N CB -0.467 37.879 38.487 -0.235 0.000 0.937 189 N HN 1.021 nan 8.380 nan 0.000 0.545 190 R N -0.157 120.333 120.500 -0.017 0.000 3.251 190 R HA -0.238 4.102 4.340 -0.000 0.000 0.249 190 R C -0.387 175.885 176.300 -0.045 0.000 0.949 190 R CA 1.865 57.954 56.100 -0.018 0.000 0.645 190 R CB -1.739 28.562 30.300 0.003 0.000 1.065 190 R HN 0.546 nan 8.270 nan 0.000 0.452 191 E N -1.904 118.250 120.200 -0.077 0.000 3.927 191 E HA -0.234 4.116 4.350 -0.000 0.000 0.330 191 E C 0.548 177.093 176.600 -0.092 0.000 0.751 191 E CA 1.954 58.307 56.400 -0.078 0.000 1.254 191 E CB -1.012 28.665 29.700 -0.038 0.000 1.643 191 E HN 0.960 nan 8.360 nan 0.000 0.430 192 R N -0.398 120.029 120.500 -0.122 0.000 2.472 192 R HA 0.284 4.624 4.340 -0.000 0.000 0.279 192 R C 0.058 176.306 176.300 -0.086 0.000 0.953 192 R CA 0.024 56.069 56.100 -0.092 0.000 1.088 192 R CB 0.681 30.941 30.300 -0.067 0.000 1.197 192 R HN -0.057 nan 8.270 nan 0.000 0.536 193 T N 0.885 115.265 114.554 -0.289 0.000 3.032 193 T HA 0.265 4.614 4.350 -0.000 0.000 0.312 193 T C -1.593 172.797 174.700 -0.516 0.000 1.078 193 T CA -0.586 61.256 62.100 -0.430 0.000 1.028 193 T CB 2.734 71.104 68.868 -0.830 0.000 1.091 193 T HN 0.100 nan 8.240 nan 0.000 0.457 194 Q N 2.761 122.447 119.800 -0.190 0.000 2.359 194 Q HA 0.704 5.044 4.340 -0.000 0.000 0.274 194 Q C -1.736 174.335 176.000 0.119 0.000 1.074 194 Q CA -0.760 55.035 55.803 -0.012 0.000 0.810 194 Q CB 1.907 30.660 28.738 0.025 0.000 1.342 194 Q HN 0.582 nan 8.270 nan 0.000 0.427 195 L N 0.960 122.318 121.223 0.226 0.000 2.319 195 L HA 0.937 5.277 4.340 -0.000 0.000 0.267 195 L C -0.035 176.922 176.870 0.145 0.000 1.011 195 L CA -0.903 54.049 54.840 0.186 0.000 0.818 195 L CB 2.382 44.585 42.059 0.240 0.000 1.316 195 L HN 0.805 nan 8.230 nan 0.000 0.432 196 G N 1.472 110.314 108.800 0.069 0.000 2.755 196 G HA2 0.642 4.602 3.960 -0.000 0.000 0.297 196 G HA3 0.642 4.602 3.960 -0.000 0.000 0.297 196 G C -1.881 172.997 174.900 -0.037 0.000 1.441 196 G CA -0.394 44.749 45.100 0.071 0.000 0.964 196 G HN 0.359 nan 8.290 nan 0.000 0.540 197 L N 0.902 122.036 121.223 -0.148 0.000 2.441 197 L HA 0.602 4.942 4.340 -0.000 0.000 0.270 197 L C -1.356 175.330 176.870 -0.306 0.000 0.973 197 L CA -0.561 54.175 54.840 -0.172 0.000 0.842 197 L CB 2.067 44.041 42.059 -0.142 0.000 1.239 197 L HN 0.556 nan 8.230 nan 0.000 0.406 198 W N 1.802 122.962 121.300 -0.234 0.000 2.864 198 W HA 0.613 5.273 4.660 -0.000 0.000 0.343 198 W C -0.346 175.969 176.519 -0.341 0.000 1.109 198 W CA -0.396 56.882 57.345 -0.111 0.000 1.192 198 W CB 1.316 30.883 29.460 0.177 0.000 1.426 198 W HN 0.250 nan 8.180 nan 0.000 0.529 199 H N 0.686 120.010 119.070 0.422 0.000 2.934 199 H HA 0.583 5.139 4.556 -0.000 0.000 0.340 199 H C -0.169 175.313 175.328 0.257 0.000 1.008 199 H CA -0.818 55.405 56.048 0.292 0.000 1.317 199 H CB 1.663 31.523 29.762 0.162 0.000 1.670 199 H HN 0.639 nan 8.280 nan 0.000 0.516 200 G N 0.759 109.754 108.800 0.326 0.000 2.569 200 G HA2 0.486 4.446 3.960 -0.000 0.000 0.300 200 G HA3 0.486 4.446 3.960 -0.000 0.000 0.300 200 G C -1.357 173.506 174.900 -0.062 0.000 1.269 200 G CA -0.671 44.459 45.100 0.049 0.000 0.959 200 G HN 0.473 nan 8.290 nan 0.000 0.478 201 Q N 0.246 119.790 119.800 -0.426 0.000 2.263 201 Q HA 0.351 4.691 4.340 -0.000 0.000 0.262 201 Q C -1.903 173.934 176.000 -0.272 0.000 0.984 201 Q CA -0.789 54.853 55.803 -0.268 0.000 0.813 201 Q CB 2.184 30.826 28.738 -0.160 0.000 1.299 201 Q HN 0.461 nan 8.270 nan 0.000 0.428 202 L N 5.037 126.092 121.223 -0.281 0.000 2.397 202 L HA 0.288 4.628 4.340 -0.000 0.000 0.263 202 L C -0.435 176.364 176.870 -0.119 0.000 1.136 202 L CA 0.204 54.973 54.840 -0.118 0.000 1.019 202 L CB 0.297 42.113 42.059 -0.404 0.000 1.352 202 L HN 0.573 nan 8.230 nan 0.000 0.420 203 E N 3.706 123.877 120.200 -0.047 0.000 3.311 203 E HA -0.202 4.148 4.350 -0.000 0.000 0.264 203 E C -0.065 176.536 176.600 0.001 0.000 0.875 203 E CA 0.942 57.330 56.400 -0.020 0.000 0.969 203 E CB 0.038 29.740 29.700 0.004 0.000 0.910 203 E HN 0.595 nan 8.360 nan 0.000 0.548 204 D N 0.755 121.160 120.400 0.008 0.000 2.946 204 D HA -0.181 4.459 4.640 -0.000 0.000 0.202 204 D C 0.566 176.894 176.300 0.048 0.000 1.068 204 D CA 1.247 55.264 54.000 0.028 0.000 1.011 204 D CB -1.077 39.740 40.800 0.027 0.000 1.105 204 D HN 0.342 nan 8.370 nan 0.000 0.425 205 V N -1.372 118.571 119.914 0.049 0.000 3.029 205 V HA 0.245 4.365 4.120 -0.000 0.000 0.230 205 V C 0.278 176.520 176.094 0.246 0.000 1.254 205 V CA 1.174 63.553 62.300 0.132 0.000 1.276 205 V CB 0.287 32.208 31.823 0.163 0.000 1.080 205 V HN 0.308 nan 8.190 nan 0.000 0.495 206 Y N 0.014 120.365 120.300 0.086 0.000 2.765 206 Y HA 0.697 5.247 4.550 -0.000 0.000 0.350 206 Y C -1.187 174.786 175.900 0.123 0.000 1.196 206 Y CA -2.152 56.002 58.100 0.091 0.000 1.119 206 Y CB 0.610 39.114 38.460 0.075 0.000 1.368 206 Y HN 0.248 nan 8.280 nan 0.000 0.463 207 R N 1.782 122.467 120.500 0.308 0.000 2.854 207 R HA 0.763 5.103 4.340 -0.000 0.000 0.271 207 R C -1.611 174.964 176.300 0.457 0.000 0.994 207 R CA -1.104 55.140 56.100 0.240 0.000 0.945 207 R CB 2.625 33.013 30.300 0.146 0.000 1.194 207 R HN 0.856 nan 8.270 nan 0.000 0.476 208 Q N 1.498 121.563 119.800 0.441 0.000 2.284 208 Q HA 0.381 4.721 4.340 -0.000 0.000 0.269 208 Q C -1.593 174.692 176.000 0.476 0.000 1.026 208 Q CA -0.558 55.537 55.803 0.485 0.000 0.831 208 Q CB 2.651 31.730 28.738 0.569 0.000 1.322 208 Q HN 0.759 nan 8.270 nan 0.000 0.419 209 S N 2.534 118.510 115.700 0.461 0.000 2.537 209 S HA 0.623 5.093 4.470 -0.000 0.000 0.301 209 S C -1.689 173.137 174.600 0.376 0.000 1.092 209 S CA -0.460 57.987 58.200 0.411 0.000 1.048 209 S CB 1.059 64.519 63.200 0.434 0.000 1.053 209 S HN 0.547 nan 8.310 nan 0.000 0.501 210 Y N 1.067 121.396 120.300 0.048 0.000 2.492 210 Y HA 0.669 5.219 4.550 0.000 0.000 0.346 210 Y C -1.192 174.655 175.900 -0.089 0.000 0.997 210 Y CA -1.249 56.772 58.100 -0.132 0.000 1.025 210 Y CB 1.200 39.538 38.460 -0.202 0.000 1.263 210 Y HN 0.771 nan 8.280 nan 0.000 0.454 211 A N 4.722 127.145 122.820 -0.662 0.000 2.371 211 A HA 0.695 5.015 4.320 -0.000 0.000 0.311 211 A C -1.674 175.384 177.584 -0.877 0.000 1.068 211 A CA -0.682 51.004 52.037 -0.586 0.000 0.744 211 A CB 1.158 20.010 19.000 -0.248 0.000 1.239 211 A HN 0.807 nan 8.150 nan 0.000 0.435 212 N N 0.936 119.266 118.700 -0.617 0.000 2.287 212 N HA 0.625 5.365 4.740 -0.000 0.000 0.289 212 N C -1.819 173.610 175.510 -0.134 0.000 1.066 212 N CA -0.417 52.395 53.050 -0.397 0.000 0.841 212 N CB 1.675 39.948 38.487 -0.358 0.000 1.599 212 N HN 0.655 nan 8.380 nan 0.000 0.476 213 L N 3.045 124.223 121.223 -0.076 0.000 2.381 213 L HA 0.719 5.059 4.340 -0.000 0.000 0.268 213 L C -1.853 175.034 176.870 0.029 0.000 0.997 213 L CA -0.539 54.297 54.840 -0.007 0.000 0.818 213 L CB 1.518 43.570 42.059 -0.013 0.000 1.310 213 L HN 0.607 nan 8.230 nan 0.000 0.416 214 L N 4.845 126.099 121.223 0.051 0.000 2.410 214 L HA 0.562 4.902 4.340 -0.000 0.000 0.270 214 L C -1.076 175.855 176.870 0.101 0.000 0.983 214 L CA -0.640 54.242 54.840 0.071 0.000 0.822 214 L CB 1.893 43.991 42.059 0.066 0.000 1.285 214 L HN 0.699 nan 8.230 nan 0.000 0.409 215 H N 2.612 121.674 119.070 -0.014 0.000 2.895 215 H HA 0.585 5.141 4.556 -0.000 0.000 0.373 215 H C -1.528 173.796 175.328 -0.006 0.000 1.174 215 H CA -0.938 55.092 56.048 -0.030 0.000 1.144 215 H CB 3.008 32.770 29.762 0.000 0.000 1.793 215 H HN 0.469 nan 8.280 nan 0.000 0.551 216 K N 2.345 122.537 120.400 -0.347 0.000 2.525 216 K HA 0.237 4.557 4.320 -0.000 0.000 0.254 216 K C -1.920 174.414 176.600 -0.444 0.000 0.934 216 K CA -0.510 55.602 56.287 -0.290 0.000 0.802 216 K CB 2.150 34.581 32.500 -0.115 0.000 1.295 216 K HN 0.578 nan 8.250 nan 0.000 0.433 217 Q N 2.716 122.339 119.800 -0.295 0.000 2.406 217 Q HA 0.350 4.690 4.340 -0.000 0.000 0.244 217 Q C -1.488 174.473 176.000 -0.065 0.000 0.884 217 Q CA -0.371 55.309 55.803 -0.204 0.000 0.813 217 Q CB 1.063 29.649 28.738 -0.254 0.000 1.368 217 Q HN 0.541 nan 8.270 nan 0.000 0.439 218 R N 1.453 121.938 120.500 -0.026 0.000 2.296 218 R HA 0.341 4.681 4.340 -0.000 0.000 0.323 218 R C -0.442 175.883 176.300 0.042 0.000 1.067 218 R CA -0.237 55.879 56.100 0.026 0.000 0.946 218 R CB 0.591 30.902 30.300 0.018 0.000 0.991 218 R HN 0.369 nan 8.270 nan 0.000 0.448 219 V N 1.037 121.001 119.914 0.083 0.000 2.357 219 V HA 0.775 4.895 4.120 -0.000 0.000 0.281 219 V C 0.577 176.750 176.094 0.133 0.000 1.015 219 V CA 0.159 62.509 62.300 0.082 0.000 0.827 219 V CB 0.723 32.580 31.823 0.058 0.000 1.018 219 V HN 0.968 nan 8.190 nan 0.000 0.432 220 G N 4.373 113.231 108.800 0.097 0.000 2.498 220 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.251 220 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.251 220 G C 0.354 175.304 174.900 0.084 0.000 1.170 220 G CA 0.600 45.760 45.100 0.100 0.000 0.944 220 G HN 0.645 nan 8.290 nan 0.000 0.567 221 D N 0.122 120.562 120.400 0.067 0.000 2.234 221 D HA 0.047 4.687 4.640 -0.000 0.000 0.205 221 D C 0.983 177.242 176.300 -0.069 0.000 0.962 221 D CA 0.734 54.701 54.000 -0.055 0.000 0.855 221 D CB 0.077 40.773 40.800 -0.173 0.000 0.951 221 D HN 0.332 nan 8.370 nan 0.000 0.500 222 W N 1.028 122.340 121.300 0.020 0.000 2.161 222 W HA 0.194 4.854 4.660 -0.000 0.000 0.344 222 W C 0.323 176.844 176.519 0.002 0.000 1.262 222 W CA -0.080 57.278 57.345 0.023 0.000 1.270 222 W CB 0.684 30.158 29.460 0.023 0.000 1.126 222 W HN -0.402 nan 8.180 nan 0.000 0.598 223 T N 3.198 117.934 114.554 0.303 0.000 2.963 223 T HA 0.394 4.744 4.350 -0.000 0.000 0.328 223 T C -0.954 173.826 174.700 0.133 0.000 1.048 223 T CA -0.719 61.465 62.100 0.141 0.000 1.033 223 T CB -0.027 68.883 68.868 0.071 0.000 1.010 223 T HN -0.027 nan 8.240 nan 0.000 0.469 224 L N 2.745 124.012 121.223 0.074 0.000 2.275 224 L HA 0.765 5.105 4.340 -0.000 0.000 0.288 224 L C 0.883 177.753 176.870 -0.001 0.000 1.046 224 L CA -0.062 54.803 54.840 0.041 0.000 0.805 224 L CB 1.079 43.139 42.059 0.001 0.000 1.193 224 L HN 0.702 nan 8.230 nan 0.000 0.426 225 G N 1.435 110.260 108.800 0.041 0.000 2.537 225 G HA2 0.877 4.837 3.960 -0.000 0.000 0.308 225 G HA3 0.877 4.837 3.960 -0.000 0.000 0.308 225 G C -1.696 173.279 174.900 0.125 0.000 1.237 225 G CA -0.520 44.603 45.100 0.038 0.000 0.968 225 G HN 0.795 nan 8.290 nan 0.000 0.481 226 A N 0.543 123.427 122.820 0.107 0.000 2.486 226 A HA 0.728 5.048 4.320 -0.000 0.000 0.300 226 A C -1.244 176.337 177.584 -0.005 0.000 1.048 226 A CA -0.766 51.306 52.037 0.059 0.000 0.696 226 A CB 2.123 21.256 19.000 0.221 0.000 1.278 226 A HN 0.699 nan 8.150 nan 0.000 0.405 227 N N 1.813 120.443 118.700 -0.117 0.000 2.540 227 N HA 0.539 5.279 4.740 -0.000 0.000 0.275 227 N C -2.047 173.446 175.510 -0.029 0.000 1.053 227 N CA -0.330 52.733 53.050 0.021 0.000 0.876 227 N CB 0.809 39.372 38.487 0.127 0.000 1.284 227 N HN 0.386 nan 8.380 nan 0.000 0.518 228 L N 1.939 123.097 121.223 -0.109 0.000 2.307 228 L HA 0.819 5.159 4.340 -0.000 0.000 0.284 228 L C 0.901 177.463 176.870 -0.513 0.000 1.023 228 L CA -0.589 54.062 54.840 -0.315 0.000 0.810 228 L CB 1.722 43.680 42.059 -0.168 0.000 1.231 228 L HN 0.622 nan 8.230 nan 0.000 0.423 229 G N 2.423 110.536 108.800 -1.146 0.000 2.612 229 G HA2 0.699 4.659 3.960 -0.000 0.000 0.298 229 G HA3 0.699 4.659 3.960 -0.000 0.000 0.298 229 G C -2.242 172.399 174.900 -0.431 0.000 1.336 229 G CA -0.446 44.159 45.100 -0.824 0.000 0.953 229 G HN 0.417 nan 8.290 nan 0.000 0.482 230 L N 0.445 121.564 121.223 -0.174 0.000 2.470 230 L HA 0.839 5.179 4.340 -0.000 0.000 0.268 230 L C -1.904 175.020 176.870 0.090 0.000 0.964 230 L CA -1.019 53.828 54.840 0.011 0.000 0.839 230 L CB 1.443 43.490 42.059 -0.020 0.000 1.276 230 L HN 0.403 nan 8.230 nan 0.000 0.403 231 F N 4.021 124.191 119.950 0.367 0.000 2.546 231 F HA 0.813 5.340 4.527 0.000 0.000 0.320 231 F C -0.343 175.666 175.800 0.349 0.000 1.076 231 F CA -0.761 57.491 58.000 0.421 0.000 0.928 231 F CB 2.478 41.762 39.000 0.473 0.000 1.189 231 F HN 0.148 nan 8.300 nan 0.000 0.465 232 V N 2.594 122.820 119.914 0.520 0.000 2.623 232 V HA 0.410 4.530 4.120 -0.000 0.000 0.304 232 V C -1.338 174.969 176.094 0.355 0.000 1.054 232 V CA -0.822 61.712 62.300 0.390 0.000 0.882 232 V CB 1.965 33.964 31.823 0.294 0.000 1.002 232 V HN 0.617 nan 8.190 nan 0.000 0.424 233 D N 4.150 124.721 120.400 0.283 0.000 2.481 233 D HA 0.763 5.403 4.640 -0.000 0.000 0.244 233 D C -0.409 176.002 176.300 0.185 0.000 1.057 233 D CA -0.603 53.527 54.000 0.217 0.000 0.848 233 D CB 2.867 43.709 40.800 0.070 0.000 1.388 233 D HN 0.698 nan 8.370 nan 0.000 0.475 234 R N -0.868 119.757 120.500 0.208 0.000 2.740 234 R HA 0.512 4.852 4.340 -0.000 0.000 0.273 234 R C -1.137 175.286 176.300 0.204 0.000 0.998 234 R CA -0.985 55.218 56.100 0.173 0.000 0.900 234 R CB 0.721 31.113 30.300 0.154 0.000 1.223 234 R HN 0.250 nan 8.270 nan 0.000 0.466 235 D N -0.271 120.224 120.400 0.159 0.000 2.357 235 D HA 0.257 4.897 4.640 -0.000 0.000 0.242 235 D C -0.872 175.512 176.300 0.141 0.000 1.153 235 D CA -0.274 53.826 54.000 0.166 0.000 0.918 235 D CB 0.832 41.700 40.800 0.114 0.000 1.181 235 D HN 0.651 nan 8.370 nan 0.000 0.435 236 D N -0.967 119.506 120.400 0.122 0.000 2.619 236 D HA 0.447 5.087 4.640 -0.000 0.000 0.241 236 D C 0.035 176.366 176.300 0.052 0.000 1.087 236 D CA -0.758 53.286 54.000 0.074 0.000 0.851 236 D CB 1.404 42.229 40.800 0.043 0.000 1.474 236 D HN 0.657 nan 8.370 nan 0.000 0.478 237 G N 2.265 111.088 108.800 0.038 0.000 2.900 237 G HA2 0.233 4.193 3.960 -0.000 0.000 0.335 237 G HA3 0.233 4.193 3.960 -0.000 0.000 0.335 237 G C 1.020 175.938 174.900 0.031 0.000 0.194 237 G CA 0.766 45.884 45.100 0.030 0.000 1.227 237 G HN 1.593 nan 8.290 nan 0.000 0.354 238 A N 2.235 125.074 122.820 0.032 0.000 3.779 238 A HA 0.260 4.580 4.320 -0.000 0.000 0.240 238 A C 2.185 179.790 177.584 0.036 0.000 0.903 238 A CA 1.209 53.264 52.037 0.030 0.000 1.633 238 A CB -1.754 17.261 19.000 0.026 0.000 0.917 238 A HN 2.960 nan 8.150 nan 0.000 0.761 239 A N -0.499 122.350 122.820 0.048 0.000 2.208 239 A HA -0.214 4.106 4.320 -0.000 0.000 0.277 239 A C 1.096 178.710 177.584 0.050 0.000 1.377 239 A CA 1.530 53.602 52.037 0.059 0.000 0.758 239 A CB -1.237 17.797 19.000 0.057 0.000 1.122 239 A HN 1.181 nan 8.150 nan 0.000 0.350 240 R N -0.214 120.315 120.500 0.049 0.000 2.303 240 R HA -0.064 4.276 4.340 -0.000 0.000 0.225 240 R C 1.493 177.814 176.300 0.034 0.000 1.114 240 R CA 1.324 57.445 56.100 0.036 0.000 1.007 240 R CB -0.458 29.860 30.300 0.031 0.000 0.861 240 R HN 1.203 nan 8.270 nan 0.000 0.471 241 A N 0.515 123.366 122.820 0.051 0.000 2.574 241 A HA 0.470 4.790 4.320 -0.000 0.000 0.283 241 A C 0.676 178.283 177.584 0.037 0.000 1.270 241 A CA 0.259 52.321 52.037 0.042 0.000 0.945 241 A CB 0.197 19.233 19.000 0.059 0.000 1.127 241 A HN 0.371 nan 8.150 nan 0.000 0.522 242 G N -0.209 108.613 108.800 0.038 0.000 2.828 242 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.463 242 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.463 242 G C -0.526 174.402 174.900 0.045 0.000 1.394 242 G CA -0.411 44.709 45.100 0.034 0.000 0.862 242 G HN 0.495 nan 8.290 nan 0.000 0.540 243 E N -0.703 119.522 120.200 0.042 0.000 2.392 243 E HA 0.432 4.782 4.350 -0.000 0.000 0.264 243 E C 0.281 176.911 176.600 0.050 0.000 1.024 243 E CA 0.317 56.747 56.400 0.050 0.000 0.903 243 E CB 0.927 30.654 29.700 0.045 0.000 0.963 243 E HN 0.437 nan 8.360 nan 0.000 0.432 244 I N 1.863 122.472 120.570 0.064 0.000 2.647 244 I HA 0.261 4.431 4.170 -0.000 0.000 0.295 244 I C -0.908 175.255 176.117 0.077 0.000 1.078 244 I CA -0.634 60.701 61.300 0.058 0.000 1.048 244 I CB 2.146 40.175 38.000 0.049 0.000 1.239 244 I HN 0.385 nan 8.210 nan 0.000 0.421 245 D N 3.614 124.059 120.400 0.075 0.000 2.333 245 D HA 0.379 5.019 4.640 -0.000 0.000 0.225 245 D C -1.303 175.068 176.300 0.120 0.000 1.345 245 D CA 0.021 54.086 54.000 0.108 0.000 0.971 245 D CB 1.388 42.249 40.800 0.102 0.000 1.451 245 D HN 0.600 nan 8.370 nan 0.000 0.561 246 S N 2.070 117.860 115.700 0.150 0.000 2.570 246 S HA 0.748 5.218 4.470 -0.000 0.000 0.270 246 S C -1.345 173.401 174.600 0.244 0.000 1.149 246 S CA -0.937 57.343 58.200 0.134 0.000 0.837 246 S CB 1.960 65.190 63.200 0.049 0.000 1.124 246 S HN 0.390 nan 8.310 nan 0.000 0.465 247 H N -0.357 118.813 119.070 0.166 0.000 2.717 247 H HA 0.764 5.320 4.556 -0.000 0.000 0.366 247 H C -1.380 174.081 175.328 0.221 0.000 1.132 247 H CA -0.754 55.421 56.048 0.211 0.000 1.180 247 H CB 1.391 31.253 29.762 0.167 0.000 1.678 247 H HN 0.673 nan 8.280 nan 0.000 0.537 248 T N 2.346 117.108 114.554 0.348 0.000 2.876 248 T HA 0.500 4.850 4.350 -0.000 0.000 0.289 248 T C -0.069 174.828 174.700 0.329 0.000 1.014 248 T CA -0.738 61.522 62.100 0.267 0.000 0.986 248 T CB 1.729 70.739 68.868 0.236 0.000 1.021 248 T HN 0.705 nan 8.240 nan 0.000 0.458 249 V N 1.026 121.081 119.914 0.234 0.000 2.888 249 V HA 0.956 5.076 4.120 -0.000 0.000 0.309 249 V C -1.684 174.506 176.094 0.159 0.000 1.114 249 V CA -1.194 61.199 62.300 0.156 0.000 0.940 249 V CB 1.439 33.335 31.823 0.122 0.000 1.021 249 V HN 0.984 nan 8.190 nan 0.000 0.426 250 Y N 1.304 121.664 120.300 0.099 0.000 2.625 250 Y HA 1.013 5.563 4.550 0.000 0.000 0.338 250 Y C -0.285 175.621 175.900 0.009 0.000 1.123 250 Y CA -1.007 57.120 58.100 0.046 0.000 1.046 250 Y CB 1.751 40.218 38.460 0.011 0.000 1.299 250 Y HN 1.179 nan 8.280 nan 0.000 0.464 251 G N 1.966 110.876 108.800 0.183 0.000 2.719 251 G HA2 0.514 4.474 3.960 -0.000 0.000 0.284 251 G HA3 0.514 4.474 3.960 -0.000 0.000 0.284 251 G C -2.705 172.050 174.900 -0.242 0.000 1.488 251 G CA -0.657 44.368 45.100 -0.124 0.000 1.139 251 G HN 0.695 nan 8.290 nan 0.000 0.552 252 L N 2.837 123.861 121.223 -0.332 0.000 2.298 252 L HA 0.807 5.147 4.340 -0.000 0.000 0.284 252 L C -1.461 175.168 176.870 -0.401 0.000 1.013 252 L CA -1.491 53.234 54.840 -0.191 0.000 0.824 252 L CB 0.522 42.588 42.059 0.012 0.000 1.221 252 L HN 0.340 nan 8.230 nan 0.000 0.418 253 F N 3.056 123.126 119.950 0.199 0.000 2.458 253 F HA 0.645 5.172 4.527 -0.000 0.000 0.336 253 F C 0.569 176.446 175.800 0.129 0.000 1.114 253 F CA -0.534 57.551 58.000 0.142 0.000 0.987 253 F CB 1.965 41.024 39.000 0.098 0.000 1.130 253 F HN 0.534 nan 8.300 nan 0.000 0.458 254 S N 1.695 117.500 115.700 0.175 0.000 2.578 254 S HA 0.928 5.398 4.470 -0.000 0.000 0.301 254 S C -0.721 173.890 174.600 0.018 0.000 1.091 254 S CA -0.764 57.372 58.200 -0.107 0.000 1.032 254 S CB 1.937 64.946 63.200 -0.317 0.000 1.064 254 S HN 0.946 nan 8.310 nan 0.000 0.508 255 A N 1.404 124.254 122.820 0.050 0.000 2.569 255 A HA 0.736 5.056 4.320 -0.000 0.000 0.282 255 A C 0.005 177.876 177.584 0.478 0.000 1.165 255 A CA -0.457 51.752 52.037 0.285 0.000 0.747 255 A CB 0.400 19.561 19.000 0.269 0.000 1.215 255 A HN 1.338 nan 8.150 nan 0.000 0.431 256 G N 0.940 109.969 108.800 0.381 0.000 2.417 256 G HA2 0.589 4.549 3.960 -0.000 0.000 0.320 256 G HA3 0.589 4.549 3.960 -0.000 0.000 0.320 256 G C -1.106 173.876 174.900 0.136 0.000 1.204 256 G CA -0.371 44.859 45.100 0.217 0.000 0.923 256 G HN 0.989 nan 8.290 nan 0.000 0.466 257 I N 2.005 122.514 120.570 -0.101 0.000 2.503 257 I HA 0.615 4.785 4.170 -0.000 0.000 0.282 257 I C 0.416 176.420 176.117 -0.189 0.000 1.059 257 I CA -0.406 60.639 61.300 -0.425 0.000 1.081 257 I CB 1.116 38.360 38.000 -1.259 0.000 1.210 257 I HN 1.113 nan 8.210 nan 0.000 0.450 258 G N 8.186 116.888 108.800 -0.165 0.000 2.656 258 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.318 258 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.318 258 G C 0.798 175.577 174.900 -0.202 0.000 0.077 258 G CA 0.401 45.416 45.100 -0.142 0.000 1.197 258 G HN 1.406 nan 8.290 nan 0.000 0.570 259 L N 0.010 121.088 121.223 -0.241 0.000 5.218 259 L HA -0.251 4.089 4.340 -0.000 0.000 0.447 259 L C 0.818 177.433 176.870 -0.424 0.000 1.040 259 L CA 1.880 56.492 54.840 -0.380 0.000 1.035 259 L CB -1.608 40.171 42.059 -0.467 0.000 1.762 259 L HN 0.857 nan 8.230 nan 0.000 0.756 260 H N 0.173 119.193 119.070 -0.083 0.000 2.469 260 H HA 0.608 5.164 4.556 -0.000 0.000 0.342 260 H C -0.095 175.057 175.328 -0.294 0.000 1.115 260 H CA -0.091 55.854 56.048 -0.173 0.000 1.204 260 H CB 1.804 31.539 29.762 -0.044 0.000 1.492 260 H HN -0.104 nan 8.280 nan 0.000 0.499 261 T N 4.047 118.371 114.554 -0.383 0.000 2.881 261 T HA 0.428 4.778 4.350 -0.000 0.000 0.290 261 T C -0.562 173.889 174.700 -0.415 0.000 1.000 261 T CA -0.580 61.333 62.100 -0.312 0.000 0.978 261 T CB 0.707 69.450 68.868 -0.208 0.000 0.997 261 T HN 0.199 nan 8.240 nan 0.000 0.443 262 F N 2.032 122.037 119.950 0.091 0.000 2.508 262 F HA 0.715 5.242 4.527 -0.000 0.000 0.325 262 F C -0.637 175.197 175.800 0.056 0.000 1.090 262 F CA -0.956 57.181 58.000 0.229 0.000 0.945 262 F CB 1.482 40.640 39.000 0.263 0.000 1.156 262 F HN 0.477 nan 8.300 nan 0.000 0.463 263 Y N 2.374 122.895 120.300 0.367 0.000 2.524 263 Y HA 0.685 5.235 4.550 0.000 0.000 0.347 263 Y C -1.136 174.928 175.900 0.272 0.000 1.005 263 Y CA -1.234 57.028 58.100 0.270 0.000 1.025 263 Y CB 2.170 40.735 38.460 0.175 0.000 1.275 263 Y HN 0.472 nan 8.280 nan 0.000 0.460 264 L N 1.743 123.234 121.223 0.446 0.000 2.436 264 L HA 0.997 5.337 4.340 -0.000 0.000 0.268 264 L C -0.761 176.347 176.870 0.396 0.000 0.974 264 L CA -0.191 54.878 54.840 0.382 0.000 0.826 264 L CB 2.134 44.378 42.059 0.308 0.000 1.291 264 L HN 0.704 nan 8.230 nan 0.000 0.406 265 G N 4.931 113.921 108.800 0.316 0.000 2.609 265 G HA2 0.634 4.594 3.960 -0.000 0.000 0.308 265 G HA3 0.634 4.594 3.960 -0.000 0.000 0.308 265 G C -1.945 173.101 174.900 0.243 0.000 1.369 265 G CA -0.427 44.816 45.100 0.238 0.000 0.958 265 G HN 0.382 nan 8.290 nan 0.000 0.499 266 L N 1.516 122.894 121.223 0.259 0.000 2.333 266 L HA 0.641 4.981 4.340 -0.000 0.000 0.280 266 L C -0.039 176.938 176.870 0.178 0.000 1.004 266 L CA -0.989 53.990 54.840 0.231 0.000 0.820 266 L CB 1.561 43.776 42.059 0.260 0.000 1.247 266 L HN 0.708 nan 8.230 nan 0.000 0.416 267 Q N 2.615 122.489 119.800 0.123 0.000 2.345 267 Q HA 0.661 5.001 4.340 -0.000 0.000 0.275 267 Q C -1.518 174.532 176.000 0.083 0.000 1.063 267 Q CA -0.857 55.011 55.803 0.108 0.000 0.819 267 Q CB 2.838 31.606 28.738 0.050 0.000 1.356 267 Q HN 0.467 nan 8.270 nan 0.000 0.418 268 K N 1.816 122.271 120.400 0.093 0.000 2.464 268 K HA 0.622 4.942 4.320 -0.000 0.000 0.253 268 K C -2.104 174.521 176.600 0.043 0.000 0.933 268 K CA -0.544 55.785 56.287 0.069 0.000 0.801 268 K CB 2.309 34.861 32.500 0.086 0.000 1.271 268 K HN 0.365 nan 8.250 nan 0.000 0.430 269 V N 2.781 122.693 119.914 -0.003 0.000 2.487 269 V HA 0.813 4.933 4.120 -0.000 0.000 0.298 269 V C 0.188 176.186 176.094 -0.161 0.000 1.028 269 V CA -0.480 61.781 62.300 -0.065 0.000 0.860 269 V CB 1.457 33.263 31.823 -0.029 0.000 0.991 269 V HN 0.869 nan 8.190 nan 0.000 0.427 270 G N 1.810 110.339 108.800 -0.452 0.000 2.569 270 G HA2 0.871 4.831 3.960 -0.000 0.000 0.300 270 G HA3 0.871 4.831 3.960 -0.000 0.000 0.300 270 G C -0.134 174.484 174.900 -0.470 0.000 1.269 270 G CA -0.166 44.614 45.100 -0.533 0.000 0.959 270 G HN 1.479 nan 8.290 nan 0.000 0.478 271 G N -0.115 108.641 108.800 -0.073 0.000 2.422 271 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.607 271 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.607 271 G C 0.098 175.016 174.900 0.030 0.000 1.270 271 G CA 0.351 45.488 45.100 0.061 0.000 0.992 271 G HN 0.586 nan 8.290 nan 0.000 0.499 272 D N -0.105 120.322 120.400 0.044 0.000 2.271 272 D HA 0.139 4.779 4.640 -0.000 0.000 0.206 272 D C 1.500 177.805 176.300 0.009 0.000 0.967 272 D CA 1.362 55.377 54.000 0.025 0.000 0.867 272 D CB 0.117 40.936 40.800 0.032 0.000 0.960 272 D HN 0.383 nan 8.370 nan 0.000 0.509 273 S N -0.124 115.585 115.700 0.014 0.000 2.730 273 S HA 0.603 5.073 4.470 -0.000 0.000 0.284 273 S C 0.570 175.166 174.600 -0.007 0.000 1.153 273 S CA -0.752 57.449 58.200 0.001 0.000 0.995 273 S CB 1.887 65.090 63.200 0.006 0.000 1.058 273 S HN 0.218 nan 8.310 nan 0.000 0.552 274 G N -0.820 107.973 108.800 -0.012 0.000 2.613 274 G HA2 0.442 4.402 3.960 -0.000 0.000 0.303 274 G HA3 0.442 4.402 3.960 -0.000 0.000 0.303 274 G C -1.441 173.483 174.900 0.039 0.000 1.312 274 G CA -0.948 44.160 45.100 0.012 0.000 1.036 274 G HN 0.678 nan 8.290 nan 0.000 0.513 275 W N 1.312 122.532 121.300 -0.133 0.000 2.446 275 W HA 0.383 5.043 4.660 0.000 0.000 0.316 275 W C 0.199 176.578 176.519 -0.233 0.000 1.376 275 W CA -0.536 56.699 57.345 -0.183 0.000 1.300 275 W CB 0.404 29.724 29.460 -0.233 0.000 1.351 275 W HN 0.258 nan 8.180 nan 0.000 0.530 276 Q N 3.978 123.303 119.800 -0.790 0.000 2.443 276 Q HA 0.432 4.772 4.340 -0.000 0.000 0.232 276 Q C -0.298 174.872 176.000 -1.382 0.000 1.026 276 Q CA 0.005 55.176 55.803 -1.054 0.000 0.924 276 Q CB 1.492 29.400 28.738 -1.382 0.000 1.256 276 Q HN 0.574 nan 8.270 nan 0.000 0.519 277 S N -1.039 114.128 115.700 -0.889 0.000 2.686 277 S HA 0.216 4.686 4.470 -0.000 0.000 0.273 277 S C -1.541 173.029 174.600 -0.050 0.000 1.060 277 S CA -0.767 57.111 58.200 -0.537 0.000 0.845 277 S CB 0.539 63.169 63.200 -0.949 0.000 1.086 277 S HN 0.209 nan 8.310 nan 0.000 0.461 278 V N 4.097 123.993 119.914 -0.031 0.000 2.508 278 V HA 0.240 4.360 4.120 -0.000 0.000 0.281 278 V C 0.089 176.152 176.094 -0.050 0.000 1.041 278 V CA -0.159 62.136 62.300 -0.008 0.000 1.016 278 V CB 0.102 31.851 31.823 -0.123 0.000 0.984 278 V HN 0.794 nan 8.190 nan 0.000 0.478 279 Y N 4.648 124.711 120.300 -0.395 0.000 2.805 279 Y HA 0.344 4.894 4.550 -0.000 0.000 0.331 279 Y C 1.293 176.737 175.900 -0.760 0.000 1.241 279 Y CA 0.994 58.471 58.100 -1.038 0.000 1.546 279 Y CB 0.205 38.231 38.460 -0.722 0.000 1.248 279 Y HN 0.937 nan 8.280 nan 0.000 0.559 280 G N 3.138 111.015 108.800 -1.540 0.000 2.175 280 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 280 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 280 G C 0.292 175.146 174.900 -0.076 0.000 0.982 280 G CA 0.383 45.039 45.100 -0.740 0.000 0.641 280 G HN 1.144 nan 8.290 nan 0.000 0.527 281 S N -0.681 115.115 115.700 0.160 0.000 2.671 281 S HA 0.774 5.244 4.470 -0.000 0.000 0.272 281 S C 0.379 175.122 174.600 0.237 0.000 1.174 281 S CA 0.464 58.789 58.200 0.208 0.000 1.004 281 S CB 1.811 65.109 63.200 0.163 0.000 1.077 281 S HN 1.320 nan 8.310 nan 0.000 0.553 282 S N -1.205 114.561 115.700 0.110 0.000 2.525 282 S HA 0.556 5.026 4.470 -0.000 0.000 0.290 282 S C 1.134 175.772 174.600 0.063 0.000 1.152 282 S CA -0.312 57.917 58.200 0.049 0.000 1.072 282 S CB 0.625 63.801 63.200 -0.039 0.000 1.027 282 S HN 0.955 nan 8.310 nan 0.000 0.500 283 G N 3.012 111.819 108.800 0.012 0.000 2.650 283 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.214 283 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.214 283 G C 1.303 176.117 174.900 -0.143 0.000 1.136 283 G CA 0.127 45.212 45.100 -0.025 0.000 0.789 283 G HN 0.831 nan 8.290 nan 0.000 0.536 284 R N 0.612 121.049 120.500 -0.105 0.000 2.330 284 R HA -0.210 4.130 4.340 -0.000 0.000 0.271 284 R C 1.936 178.142 176.300 -0.157 0.000 1.206 284 R CA 1.781 57.806 56.100 -0.125 0.000 1.032 284 R CB -0.424 29.816 30.300 -0.100 0.000 0.881 284 R HN 0.328 nan 8.270 nan 0.000 0.489 285 S N -0.464 115.142 115.700 -0.156 0.000 2.501 285 S HA 0.041 4.511 4.470 -0.000 0.000 0.220 285 S C 0.605 175.018 174.600 -0.312 0.000 0.997 285 S CA -0.169 57.940 58.200 -0.153 0.000 0.919 285 S CB 0.005 63.176 63.200 -0.048 0.000 0.778 285 S HN 0.278 nan 8.310 nan 0.000 0.523 286 M N 0.912 120.201 119.600 -0.519 0.000 2.216 286 M HA 0.450 4.930 4.480 -0.000 0.000 0.356 286 M C 1.264 177.117 176.300 -0.745 0.000 1.205 286 M CA -0.365 54.490 55.300 -0.741 0.000 1.122 286 M CB 0.893 32.964 32.600 -0.883 0.000 1.571 286 M HN 0.073 nan 8.290 nan 0.000 0.464 287 G N 2.998 111.086 108.800 -1.187 0.000 2.513 287 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 287 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 287 G C 0.881 175.568 174.900 -0.356 0.000 1.160 287 G CA 0.741 45.348 45.100 -0.822 0.000 0.767 287 G HN 0.758 nan 8.290 nan 0.000 0.571 288 N N 1.228 119.766 118.700 -0.270 0.000 2.389 288 N HA 0.105 4.845 4.740 -0.000 0.000 0.237 288 N C -0.476 174.977 175.510 -0.095 0.000 1.148 288 N CA -0.125 52.822 53.050 -0.172 0.000 0.854 288 N CB 0.208 38.577 38.487 -0.195 0.000 1.115 288 N HN 0.375 nan 8.380 nan 0.000 0.492 289 D N 0.399 120.683 120.400 -0.193 0.000 2.414 289 D HA 0.187 4.827 4.640 -0.000 0.000 0.242 289 D C 0.007 176.223 176.300 -0.140 0.000 1.129 289 D CA 0.471 54.368 54.000 -0.170 0.000 0.885 289 D CB 0.754 41.423 40.800 -0.217 0.000 1.198 289 D HN -0.007 nan 8.370 nan 0.000 0.437 290 M N 2.614 122.141 119.600 -0.122 0.000 2.716 290 M HA 0.235 4.715 4.480 -0.000 0.000 0.278 290 M C 0.622 176.888 176.300 -0.058 0.000 1.281 290 M CA -0.932 54.265 55.300 -0.171 0.000 0.814 290 M CB 1.488 33.993 32.600 -0.159 0.000 1.719 290 M HN 0.429 nan 8.290 nan 0.000 0.457 291 F N 0.666 120.569 119.950 -0.079 0.000 2.048 291 F HA -0.328 4.199 4.527 0.000 0.000 0.296 291 F C 1.674 177.434 175.800 -0.067 0.000 1.109 291 F CA 1.164 59.128 58.000 -0.060 0.000 1.214 291 F CB -0.326 38.647 39.000 -0.045 0.000 0.963 291 F HN 0.594 nan 8.300 nan 0.000 0.491 292 N N 0.004 118.772 118.700 0.114 0.000 2.251 292 N HA 0.266 5.006 4.740 -0.000 0.000 0.217 292 N C 0.287 175.727 175.510 -0.118 0.000 1.124 292 N CA 0.767 53.832 53.050 0.025 0.000 0.843 292 N CB 1.137 39.676 38.487 0.088 0.000 1.024 292 N HN 0.374 nan 8.380 nan 0.000 0.501 293 G N 0.894 109.580 108.800 -0.190 0.000 2.317 293 G HA2 0.078 4.038 3.960 -0.000 0.000 0.293 293 G HA3 0.078 4.038 3.960 -0.000 0.000 0.293 293 G C -1.094 173.610 174.900 -0.327 0.000 1.287 293 G CA -0.704 44.211 45.100 -0.310 0.000 0.850 293 G HN 0.277 nan 8.290 nan 0.000 0.515 294 N N -2.190 116.290 118.700 -0.366 0.000 2.261 294 N HA 0.233 4.973 4.740 -0.000 0.000 0.241 294 N C -0.199 175.314 175.510 0.004 0.000 1.374 294 N CA -0.464 52.478 53.050 -0.180 0.000 0.802 294 N CB 0.523 38.861 38.487 -0.248 0.000 1.339 294 N HN 0.714 nan 8.380 nan 0.000 0.498 295 F N 1.665 121.509 119.950 -0.177 0.000 2.866 295 F HA -0.209 4.318 4.527 0.000 0.000 0.254 295 F C 0.751 176.467 175.800 -0.139 0.000 1.009 295 F CA 1.072 58.986 58.000 -0.144 0.000 0.907 295 F CB -2.447 36.454 39.000 -0.166 0.000 0.859 295 F HN 0.396 nan 8.300 nan 0.000 0.842 296 T N -3.642 110.901 114.554 -0.018 0.000 3.296 296 T HA 0.246 4.596 4.350 -0.000 0.000 0.285 296 T C 0.558 175.268 174.700 0.017 0.000 1.014 296 T CA -0.570 61.529 62.100 -0.001 0.000 0.920 296 T CB 0.129 69.011 68.868 0.024 0.000 1.143 296 T HN 0.282 nan 8.240 nan 0.000 0.522 297 N N 1.999 120.681 118.700 -0.031 0.000 2.354 297 N HA 0.445 5.185 4.740 -0.000 0.000 0.246 297 N C 0.430 175.903 175.510 -0.062 0.000 1.285 297 N CA -0.135 52.870 53.050 -0.074 0.000 0.925 297 N CB 0.576 38.953 38.487 -0.184 0.000 1.174 297 N HN 0.553 nan 8.380 nan 0.000 0.478 298 A N 0.341 123.117 122.820 -0.075 0.000 2.511 298 A HA 0.050 4.370 4.320 -0.000 0.000 0.242 298 A C 0.496 178.041 177.584 -0.066 0.000 1.069 298 A CA 0.039 52.041 52.037 -0.058 0.000 0.763 298 A CB -0.123 18.845 19.000 -0.053 0.000 1.001 298 A HN 0.783 nan 8.150 nan 0.000 0.498 299 D N -0.425 119.944 120.400 -0.052 0.000 3.077 299 D HA -0.170 4.470 4.640 -0.000 0.000 0.217 299 D C 0.282 176.567 176.300 -0.025 0.000 1.162 299 D CA 1.765 55.742 54.000 -0.038 0.000 0.943 299 D CB -1.012 39.771 40.800 -0.029 0.000 1.122 299 D HN 0.930 nan 8.370 nan 0.000 0.413 300 E N 0.720 120.903 120.200 -0.028 0.000 2.316 300 E HA 0.223 4.573 4.350 -0.000 0.000 0.275 300 E C 0.186 176.800 176.600 0.023 0.000 1.029 300 E CA -0.382 56.017 56.400 -0.003 0.000 0.871 300 E CB 0.825 30.528 29.700 0.005 0.000 1.022 300 E HN 0.091 nan 8.360 nan 0.000 0.418 301 R N 2.637 123.160 120.500 0.039 0.000 2.393 301 R HA 0.357 4.697 4.340 -0.000 0.000 0.310 301 R C -1.250 175.072 176.300 0.038 0.000 0.968 301 R CA -0.349 55.785 56.100 0.057 0.000 0.867 301 R CB 1.173 31.524 30.300 0.085 0.000 1.124 301 R HN 0.646 nan 8.270 nan 0.000 0.450 302 S N 3.870 119.570 115.700 0.000 0.000 2.588 302 S HA 0.691 5.161 4.470 -0.000 0.000 0.275 302 S C -1.228 173.348 174.600 -0.040 0.000 1.130 302 S CA -0.953 57.148 58.200 -0.165 0.000 0.855 302 S CB 1.594 64.502 63.200 -0.487 0.000 1.116 302 S HN 0.747 nan 8.310 nan 0.000 0.472 303 W N 1.115 122.289 121.300 -0.211 0.000 3.217 303 W HA 0.720 5.380 4.660 0.000 0.000 0.323 303 W C -1.798 174.624 176.519 -0.163 0.000 1.216 303 W CA -0.715 56.565 57.345 -0.108 0.000 1.194 303 W CB 1.199 30.655 29.460 -0.007 0.000 1.397 303 W HN 1.033 nan 8.180 nan 0.000 0.537 304 Q N 2.058 121.922 119.800 0.108 0.000 2.456 304 Q HA 0.673 5.013 4.340 -0.000 0.000 0.283 304 Q C -1.812 174.375 176.000 0.312 0.000 1.084 304 Q CA -0.719 55.047 55.803 -0.060 0.000 0.801 304 Q CB 3.172 31.794 28.738 -0.193 0.000 1.434 304 Q HN 0.592 nan 8.270 nan 0.000 0.419 305 V N -0.128 119.956 119.914 0.283 0.000 2.760 305 V HA 0.775 4.895 4.120 -0.000 0.000 0.309 305 V C -0.881 175.377 176.094 0.274 0.000 1.077 305 V CA -0.964 61.554 62.300 0.363 0.000 0.910 305 V CB 1.709 33.800 31.823 0.446 0.000 1.008 305 V HN 0.847 nan 8.190 nan 0.000 0.424 306 R N 2.466 123.160 120.500 0.324 0.000 2.725 306 R HA 0.600 4.939 4.340 -0.000 0.000 0.277 306 R C -2.450 174.127 176.300 0.462 0.000 0.987 306 R CA -0.671 55.586 56.100 0.262 0.000 0.901 306 R CB 2.731 33.014 30.300 -0.029 0.000 1.207 306 R HN 0.921 nan 8.270 nan 0.000 0.463 307 Y N 1.909 122.335 120.300 0.210 0.000 2.406 307 Y HA 0.400 4.950 4.550 -0.000 0.000 0.340 307 Y C -1.554 174.418 175.900 0.120 0.000 0.975 307 Y CA -0.816 57.374 58.100 0.150 0.000 1.056 307 Y CB 1.794 40.324 38.460 0.116 0.000 1.210 307 Y HN 0.594 nan 8.280 nan 0.000 0.448 308 D N 4.027 124.029 120.400 -0.663 0.000 2.481 308 D HA 0.317 4.957 4.640 -0.000 0.000 0.244 308 D C -1.945 173.959 176.300 -0.660 0.000 1.057 308 D CA -0.027 53.704 54.000 -0.448 0.000 0.848 308 D CB 1.751 42.499 40.800 -0.086 0.000 1.388 308 D HN 0.446 nan 8.370 nan 0.000 0.475 309 Y N 0.955 120.942 120.300 -0.521 0.000 2.421 309 Y HA 0.294 4.844 4.550 -0.000 0.000 0.339 309 Y C -1.427 174.253 175.900 -0.366 0.000 0.996 309 Y CA -1.058 56.735 58.100 -0.512 0.000 1.046 309 Y CB 1.759 39.876 38.460 -0.571 0.000 1.226 309 Y HN 0.177 nan 8.280 nan 0.000 0.445 310 D N 5.289 125.137 120.400 -0.920 0.000 2.411 310 D HA 0.113 4.753 4.640 -0.000 0.000 0.225 310 D C 0.168 175.814 176.300 -1.089 0.000 1.156 310 D CA 0.011 53.607 54.000 -0.673 0.000 0.874 310 D CB 0.141 40.674 40.800 -0.446 0.000 1.034 310 D HN 0.569 nan 8.370 nan 0.000 0.502 311 F N 2.540 122.154 119.950 -0.560 0.000 2.754 311 F HA -0.091 4.436 4.527 0.000 0.000 0.298 311 F C 2.145 177.874 175.800 -0.118 0.000 1.234 311 F CA 0.112 57.953 58.000 -0.265 0.000 1.460 311 F CB -0.082 39.048 39.000 0.217 0.000 1.120 311 F HN 0.306 nan 8.300 nan 0.000 0.592 312 V N 0.001 119.856 119.914 -0.097 0.000 2.515 312 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 312 V C 2.370 178.416 176.094 -0.079 0.000 1.058 312 V CA 2.116 64.396 62.300 -0.034 0.000 1.064 312 V CB -0.794 30.986 31.823 -0.072 0.000 0.675 312 V HN 0.388 nan 8.190 nan 0.000 0.461 313 G N -0.380 108.314 108.800 -0.178 0.000 2.527 313 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.219 313 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.219 313 G C 1.201 176.098 174.900 -0.005 0.000 1.117 313 G CA 0.885 45.943 45.100 -0.071 0.000 0.759 313 G HN 0.561 nan 8.290 nan 0.000 0.556 314 L N -0.329 120.879 121.223 -0.025 0.000 3.014 314 L HA 0.355 4.695 4.340 -0.000 0.000 0.263 314 L C 1.578 178.218 176.870 -0.384 0.000 1.207 314 L CA 0.223 54.958 54.840 -0.176 0.000 1.017 314 L CB 0.548 42.498 42.059 -0.181 0.000 1.360 314 L HN 0.243 nan 8.230 nan 0.000 0.560 315 G N -0.772 107.916 108.800 -0.188 0.000 2.136 315 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.242 315 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.242 315 G C -0.336 174.552 174.900 -0.021 0.000 0.989 315 G CA -0.349 44.662 45.100 -0.148 0.000 0.682 315 G HN 0.297 nan 8.290 nan 0.000 0.522 316 W N -0.057 121.273 121.300 0.050 0.000 2.165 316 W HA 0.448 5.108 4.660 0.000 0.000 0.288 316 W C -1.466 175.102 176.519 0.081 0.000 0.900 316 W CA -2.544 54.819 57.345 0.029 0.000 1.914 316 W CB 0.380 29.827 29.460 -0.023 0.000 2.091 316 W HN 0.075 nan 8.180 nan 0.000 0.399 317 P HA -0.235 nan 4.420 nan 0.000 0.205 317 P C 1.757 179.182 177.300 0.210 0.000 1.046 317 P CA 3.039 66.248 63.100 0.181 0.000 0.968 317 P CB -0.063 31.725 31.700 0.146 0.000 0.753 318 G N -1.428 107.532 108.800 0.267 0.000 2.843 318 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.205 318 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.205 318 G C 0.131 175.238 174.900 0.345 0.000 1.160 318 G CA -0.086 45.133 45.100 0.199 0.000 0.819 318 G HN 0.169 nan 8.290 nan 0.000 0.516 319 L N 1.387 122.855 121.223 0.408 0.000 2.272 319 L HA 0.538 4.878 4.340 -0.000 0.000 0.289 319 L C -0.666 176.409 176.870 0.341 0.000 1.032 319 L CA -0.824 54.222 54.840 0.342 0.000 0.810 319 L CB 0.862 42.981 42.059 0.100 0.000 1.205 319 L HN -0.164 nan 8.230 nan 0.000 0.422 320 I N 3.495 124.233 120.570 0.280 0.000 2.910 320 I HA 0.791 4.961 4.170 -0.000 0.000 0.310 320 I C 0.435 176.766 176.117 0.357 0.000 1.043 320 I CA -0.614 60.849 61.300 0.271 0.000 1.053 320 I CB 1.783 39.855 38.000 0.120 0.000 1.242 320 I HN 0.676 nan 8.210 nan 0.000 0.452 321 G N 3.260 112.260 108.800 0.333 0.000 2.759 321 G HA2 0.638 4.598 3.960 -0.000 0.000 0.297 321 G HA3 0.638 4.598 3.960 -0.000 0.000 0.297 321 G C -1.629 173.383 174.900 0.187 0.000 1.434 321 G CA -0.488 44.827 45.100 0.358 0.000 0.980 321 G HN 0.489 nan 8.290 nan 0.000 0.531 322 M N 1.769 121.470 119.600 0.167 0.000 2.433 322 M HA 0.718 5.198 4.480 -0.000 0.000 0.290 322 M C -1.566 174.815 176.300 0.136 0.000 1.173 322 M CA -0.896 54.464 55.300 0.101 0.000 0.905 322 M CB 2.459 35.079 32.600 0.033 0.000 1.692 322 M HN 0.617 nan 8.290 nan 0.000 0.462 323 V N 2.296 122.300 119.914 0.150 0.000 2.638 323 V HA 0.820 4.940 4.120 -0.000 0.000 0.306 323 V C -1.176 174.996 176.094 0.131 0.000 1.052 323 V CA -0.731 61.667 62.300 0.163 0.000 0.885 323 V CB 1.567 33.528 31.823 0.230 0.000 0.999 323 V HN 1.044 nan 8.190 nan 0.000 0.424 324 R N 3.055 123.602 120.500 0.078 0.000 2.584 324 R HA 0.689 5.029 4.340 -0.000 0.000 0.276 324 R C -2.268 174.095 176.300 0.106 0.000 1.046 324 R CA -0.788 55.349 56.100 0.062 0.000 0.906 324 R CB 1.991 32.244 30.300 -0.078 0.000 1.215 324 R HN 0.782 nan 8.270 nan 0.000 0.449 325 Y N 1.115 121.415 120.300 -0.001 0.000 2.409 325 Y HA 0.729 5.279 4.550 -0.000 0.000 0.343 325 Y C -0.862 174.927 175.900 -0.184 0.000 0.973 325 Y CA -0.428 57.656 58.100 -0.027 0.000 1.064 325 Y CB 2.523 40.977 38.460 -0.009 0.000 1.207 325 Y HN 0.957 nan 8.280 nan 0.000 0.452 326 G N 3.592 111.854 108.800 -0.897 0.000 2.662 326 G HA2 0.459 4.419 3.960 -0.000 0.000 0.302 326 G HA3 0.459 4.419 3.960 -0.000 0.000 0.302 326 G C -2.455 171.804 174.900 -1.068 0.000 1.389 326 G CA -0.704 43.803 45.100 -0.988 0.000 0.998 326 G HN 0.821 nan 8.290 nan 0.000 0.502 327 H N 0.068 118.276 119.070 -1.436 0.000 2.600 327 H HA 0.730 5.286 4.556 -0.000 0.000 0.357 327 H C 0.092 175.065 175.328 -0.591 0.000 1.106 327 H CA 0.070 55.661 56.048 -0.761 0.000 1.193 327 H CB 2.032 31.480 29.762 -0.523 0.000 1.594 327 H HN 0.810 nan 8.280 nan 0.000 0.526 328 G N 1.823 110.230 108.800 -0.656 0.000 2.533 328 G HA2 0.578 4.537 3.960 -0.000 0.000 0.304 328 G HA3 0.578 4.537 3.960 -0.000 0.000 0.304 328 G C -1.420 173.305 174.900 -0.292 0.000 1.263 328 G CA -0.281 44.661 45.100 -0.263 0.000 0.964 328 G HN 0.891 nan 8.290 nan 0.000 0.479 329 S N -0.588 115.090 115.700 -0.037 0.000 2.643 329 S HA 0.522 4.992 4.470 -0.000 0.000 0.270 329 S C 0.218 174.851 174.600 0.056 0.000 1.166 329 S CA -0.116 58.117 58.200 0.055 0.000 0.815 329 S CB 1.431 64.737 63.200 0.177 0.000 1.139 329 S HN 1.404 nan 8.310 nan 0.000 0.472 330 N N -0.568 118.166 118.700 0.057 0.000 2.800 330 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 330 N C 0.136 175.630 175.510 -0.027 0.000 1.078 330 N CA 0.513 53.580 53.050 0.027 0.000 0.804 330 N CB -1.119 37.393 38.487 0.041 0.000 1.135 330 N HN 1.280 nan 8.380 nan 0.000 0.565 331 A N 1.084 123.861 122.820 -0.073 0.000 2.492 331 A HA 0.359 4.679 4.320 -0.000 0.000 0.254 331 A C 0.546 177.974 177.584 -0.260 0.000 1.091 331 A CA 0.929 52.844 52.037 -0.203 0.000 0.768 331 A CB 0.658 19.440 19.000 -0.363 0.000 1.028 331 A HN 0.352 nan 8.150 nan 0.000 0.498 332 T N 2.274 116.703 114.554 -0.209 0.000 2.758 332 T HA 0.602 4.952 4.350 -0.000 0.000 0.285 332 T C 0.186 174.765 174.700 -0.202 0.000 0.981 332 T CA 0.236 62.233 62.100 -0.171 0.000 0.965 332 T CB 0.270 69.086 68.868 -0.088 0.000 0.927 332 T HN 1.206 nan 8.240 nan 0.000 0.448 333 T N 2.172 116.599 114.554 -0.211 0.000 2.773 333 T HA 0.500 4.850 4.350 -0.000 0.000 0.278 333 T C 1.288 175.946 174.700 -0.070 0.000 1.011 333 T CA -0.889 61.114 62.100 -0.162 0.000 1.014 333 T CB 1.308 70.045 68.868 -0.219 0.000 1.293 333 T HN 0.519 nan 8.240 nan 0.000 0.554 334 K N 0.186 120.568 120.400 -0.030 0.000 2.000 334 K HA -0.181 4.139 4.320 -0.000 0.000 0.218 334 K C 2.559 179.160 176.600 0.002 0.000 1.053 334 K CA 1.807 58.091 56.287 -0.005 0.000 0.946 334 K CB -0.998 31.509 32.500 0.011 0.000 0.723 334 K HN 0.684 nan 8.250 nan 0.000 0.446 335 A N 0.933 123.765 122.820 0.019 0.000 1.892 335 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 335 A C 1.311 178.906 177.584 0.018 0.000 1.188 335 A CA 2.140 54.195 52.037 0.029 0.000 0.631 335 A CB -0.492 18.544 19.000 0.059 0.000 0.822 335 A HN 0.547 nan 8.150 nan 0.000 0.447 336 G N -3.323 105.477 108.800 0.001 0.000 2.450 336 G HA2 0.482 4.442 3.960 -0.000 0.000 0.273 336 G HA3 0.482 4.442 3.960 -0.000 0.000 0.273 336 G C -0.880 173.999 174.900 -0.035 0.000 1.221 336 G CA 0.361 45.458 45.100 -0.005 0.000 0.900 336 G HN 0.540 nan 8.290 nan 0.000 0.483 337 S N -1.620 114.069 115.700 -0.018 0.000 2.677 337 S HA 0.671 5.141 4.470 -0.000 0.000 0.304 337 S C 0.900 175.497 174.600 -0.006 0.000 1.108 337 S CA 0.664 58.846 58.200 -0.030 0.000 0.944 337 S CB 1.461 64.654 63.200 -0.012 0.000 1.127 337 S HN 2.525 nan 8.310 nan 0.000 0.511 338 G N 0.258 109.055 108.800 -0.006 0.000 2.155 338 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.257 338 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.257 338 G C 0.444 175.381 174.900 0.061 0.000 0.983 338 G CA -0.119 45.001 45.100 0.034 0.000 0.676 338 G HN 1.145 nan 8.290 nan 0.000 0.528 339 G N -0.212 108.596 108.800 0.014 0.000 2.432 339 G HA2 0.466 4.426 3.960 -0.000 0.000 0.239 339 G HA3 0.466 4.426 3.960 -0.000 0.000 0.239 339 G C 0.112 175.143 174.900 0.217 0.000 1.291 339 G CA 0.353 45.535 45.100 0.138 0.000 0.863 339 G HN 0.581 nan 8.290 nan 0.000 0.560 340 K N 0.641 121.252 120.400 0.351 0.000 2.340 340 K HA 0.617 4.937 4.320 -0.000 0.000 0.244 340 K C -0.495 176.243 176.600 0.230 0.000 0.973 340 K CA -0.759 55.674 56.287 0.243 0.000 0.828 340 K CB 2.525 35.178 32.500 0.254 0.000 1.226 340 K HN 0.818 nan 8.250 nan 0.000 0.437 341 E N 1.261 121.494 120.200 0.056 0.000 2.388 341 E HA 0.406 4.756 4.350 -0.000 0.000 0.280 341 E C -1.632 175.005 176.600 0.061 0.000 1.019 341 E CA -1.134 55.254 56.400 -0.020 0.000 0.806 341 E CB 1.512 31.174 29.700 -0.062 0.000 1.246 341 E HN 0.678 nan 8.360 nan 0.000 0.443 342 W N 1.968 123.238 121.300 -0.049 0.000 3.256 342 W HA 0.706 5.366 4.660 0.000 0.000 0.324 342 W C -1.657 174.776 176.519 -0.142 0.000 1.196 342 W CA -0.684 56.623 57.345 -0.065 0.000 1.206 342 W CB 1.312 30.812 29.460 0.068 0.000 1.385 342 W HN 0.815 nan 8.180 nan 0.000 0.522 343 E N 2.673 122.938 120.200 0.108 0.000 2.312 343 E HA 0.561 4.911 4.350 -0.000 0.000 0.267 343 E C -1.359 175.349 176.600 0.180 0.000 0.894 343 E CA -0.916 55.460 56.400 -0.040 0.000 0.773 343 E CB 2.745 32.348 29.700 -0.161 0.000 1.241 343 E HN 0.496 nan 8.360 nan 0.000 0.432 344 R N 3.409 124.044 120.500 0.225 0.000 2.510 344 R HA 0.253 4.593 4.340 -0.000 0.000 0.294 344 R C -1.757 174.622 176.300 0.132 0.000 1.056 344 R CA -0.489 55.789 56.100 0.298 0.000 0.918 344 R CB 0.968 31.625 30.300 0.595 0.000 1.187 344 R HN 0.576 nan 8.270 nan 0.000 0.437 345 D N 3.110 123.520 120.400 0.017 0.000 2.342 345 D HA 0.466 5.106 4.640 -0.000 0.000 0.243 345 D C -0.571 175.764 176.300 0.059 0.000 1.019 345 D CA -0.534 53.448 54.000 -0.030 0.000 0.864 345 D CB 2.855 43.335 40.800 -0.533 0.000 1.315 345 D HN 0.139 nan 8.370 nan 0.000 0.468 346 V N 0.909 120.937 119.914 0.190 0.000 2.760 346 V HA 0.480 4.600 4.120 -0.000 0.000 0.309 346 V C -0.370 175.875 176.094 0.251 0.000 1.077 346 V CA -0.700 61.719 62.300 0.198 0.000 0.910 346 V CB 2.487 34.432 31.823 0.202 0.000 1.008 346 V HN 0.561 nan 8.190 nan 0.000 0.424 347 E N 3.307 123.638 120.200 0.218 0.000 2.390 347 E HA 0.683 5.033 4.350 -0.000 0.000 0.277 347 E C -2.148 174.549 176.600 0.161 0.000 0.939 347 E CA -0.722 55.804 56.400 0.210 0.000 0.769 347 E CB 2.538 32.411 29.700 0.289 0.000 1.251 347 E HN 0.616 nan 8.360 nan 0.000 0.450 348 L N 2.722 124.008 121.223 0.105 0.000 2.372 348 L HA 0.644 4.984 4.340 -0.000 0.000 0.274 348 L C -0.263 176.638 176.870 0.050 0.000 0.988 348 L CA -0.699 54.179 54.840 0.064 0.000 0.833 348 L CB 1.999 44.044 42.059 -0.023 0.000 1.236 348 L HN 0.664 nan 8.230 nan 0.000 0.410 349 G N 2.331 111.179 108.800 0.079 0.000 2.557 349 G HA2 0.453 4.413 3.960 -0.000 0.000 0.310 349 G HA3 0.453 4.413 3.960 -0.000 0.000 0.310 349 G C -2.032 172.942 174.900 0.123 0.000 1.328 349 G CA -0.288 44.854 45.100 0.069 0.000 0.945 349 G HN 0.466 nan 8.290 nan 0.000 0.494 350 Y N 1.656 121.921 120.300 -0.058 0.000 2.446 350 Y HA 0.665 5.215 4.550 -0.000 0.000 0.345 350 Y C -0.466 175.406 175.900 -0.047 0.000 0.984 350 Y CA -0.717 57.342 58.100 -0.067 0.000 1.058 350 Y CB 2.469 40.855 38.460 -0.124 0.000 1.220 350 Y HN 0.436 nan 8.280 nan 0.000 0.455 351 T N 5.369 119.423 114.554 -0.833 0.000 2.965 351 T HA 0.191 4.541 4.350 -0.000 0.000 0.306 351 T C -1.092 173.116 174.700 -0.821 0.000 0.991 351 T CA -0.613 61.079 62.100 -0.680 0.000 1.001 351 T CB 0.882 69.576 68.868 -0.290 0.000 0.984 351 T HN 0.488 nan 8.240 nan 0.000 0.446 352 V N 5.034 124.502 119.914 -0.743 0.000 2.539 352 V HA -0.064 4.056 4.120 -0.000 0.000 0.294 352 V C 1.593 177.581 176.094 -0.176 0.000 0.994 352 V CA 0.577 62.661 62.300 -0.359 0.000 1.169 352 V CB 0.261 31.996 31.823 -0.146 0.000 0.898 352 V HN 0.834 nan 8.190 nan 0.000 0.471 353 Q N 3.023 122.775 119.800 -0.079 0.000 2.311 353 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 353 Q C 0.918 176.910 176.000 -0.013 0.000 0.954 353 Q CA 0.938 56.722 55.803 -0.032 0.000 0.885 353 Q CB 0.349 29.100 28.738 0.021 0.000 0.963 353 Q HN 1.004 nan 8.270 nan 0.000 0.471 354 S N -3.042 112.660 115.700 0.003 0.000 2.703 354 S HA 0.692 5.162 4.470 -0.000 0.000 0.273 354 S C 0.130 174.742 174.600 0.020 0.000 1.178 354 S CA -0.334 57.873 58.200 0.010 0.000 0.838 354 S CB 1.431 64.641 63.200 0.018 0.000 1.178 354 S HN 0.445 nan 8.310 nan 0.000 0.494 355 G N 0.846 109.658 108.800 0.019 0.000 2.615 355 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.218 355 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.218 355 G C -2.324 172.588 174.900 0.020 0.000 1.339 355 G CA 0.025 45.138 45.100 0.021 0.000 0.884 355 G HN 0.783 nan 8.290 nan 0.000 0.559 356 P HA 0.167 nan 4.420 nan 0.000 0.217 356 P C 1.850 179.162 177.300 0.020 0.000 1.154 356 P CA 1.020 64.126 63.100 0.011 0.000 0.841 356 P CB -0.037 31.661 31.700 -0.004 0.000 0.788 357 L N -1.329 119.906 121.223 0.019 0.000 2.627 357 L HA 0.212 4.552 4.340 -0.000 0.000 0.233 357 L C 0.979 177.907 176.870 0.097 0.000 1.144 357 L CA -0.593 54.270 54.840 0.039 0.000 0.892 357 L CB -1.036 41.029 42.059 0.011 0.000 1.039 357 L HN -0.148 nan 8.230 nan 0.000 0.442 358 A N 0.566 123.426 122.820 0.066 0.000 2.587 358 A HA 0.112 4.431 4.320 -0.000 0.000 0.233 358 A C 1.412 179.011 177.584 0.024 0.000 1.049 358 A CA 0.632 52.684 52.037 0.025 0.000 0.754 358 A CB -0.105 18.901 19.000 0.010 0.000 0.977 358 A HN 0.629 nan 8.150 nan 0.000 0.509 359 R N -1.411 119.051 120.500 -0.064 0.000 3.590 359 R HA -0.188 4.152 4.340 -0.000 0.000 0.463 359 R C 0.205 176.416 176.300 -0.147 0.000 0.657 359 R CA 1.103 57.123 56.100 -0.135 0.000 1.512 359 R CB -1.856 28.327 30.300 -0.195 0.000 2.154 359 R HN 0.973 nan 8.270 nan 0.000 0.409 360 L N 2.041 123.252 121.223 -0.019 0.000 2.514 360 L HA 0.241 4.581 4.340 -0.000 0.000 0.280 360 L C -0.069 176.742 176.870 -0.098 0.000 1.223 360 L CA 0.868 55.742 54.840 0.056 0.000 0.864 360 L CB 0.646 42.794 42.059 0.149 0.000 1.118 360 L HN 0.259 nan 8.230 nan 0.000 0.494 361 N N 3.568 122.222 118.700 -0.076 0.000 2.249 361 N HA 0.464 5.204 4.740 -0.000 0.000 0.296 361 N C -1.998 173.472 175.510 -0.066 0.000 1.051 361 N CA -0.450 52.531 53.050 -0.116 0.000 0.815 361 N CB 2.080 40.501 38.487 -0.110 0.000 1.487 361 N HN 0.454 nan 8.380 nan 0.000 0.475 362 V N 3.811 123.693 119.914 -0.053 0.000 2.482 362 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 362 V C -0.285 175.802 176.094 -0.011 0.000 1.026 362 V CA -0.639 61.652 62.300 -0.015 0.000 0.856 362 V CB 1.480 33.321 31.823 0.031 0.000 1.001 362 V HN 0.587 nan 8.190 nan 0.000 0.424 363 R N 4.240 124.713 120.500 -0.045 0.000 2.562 363 R HA 0.725 5.065 4.340 -0.000 0.000 0.298 363 R C -1.295 174.971 176.300 -0.057 0.000 0.961 363 R CA -0.695 55.377 56.100 -0.047 0.000 0.881 363 R CB 2.489 32.740 30.300 -0.081 0.000 1.159 363 R HN 0.567 nan 8.270 nan 0.000 0.450 364 L N 4.504 125.710 121.223 -0.028 0.000 2.406 364 L HA 0.500 4.840 4.340 -0.000 0.000 0.272 364 L C -1.309 175.572 176.870 0.018 0.000 0.980 364 L CA -0.426 54.403 54.840 -0.018 0.000 0.831 364 L CB 1.390 43.441 42.059 -0.014 0.000 1.253 364 L HN 0.879 nan 8.230 nan 0.000 0.406 365 N N 1.858 120.563 118.700 0.008 0.000 2.525 365 N HA 0.454 5.194 4.740 -0.000 0.000 0.270 365 N C -1.704 173.885 175.510 0.131 0.000 1.321 365 N CA -0.771 52.335 53.050 0.094 0.000 0.797 365 N CB 2.521 41.045 38.487 0.062 0.000 1.529 365 N HN 0.584 nan 8.380 nan 0.000 0.491 366 H N -0.375 118.763 119.070 0.112 0.000 2.894 366 H HA 0.797 5.353 4.556 -0.000 0.000 0.368 366 H C -1.817 173.606 175.328 0.159 0.000 1.181 366 H CA -0.347 55.746 56.048 0.075 0.000 1.146 366 H CB 2.262 32.060 29.762 0.059 0.000 1.839 366 H HN 0.930 nan 8.280 nan 0.000 0.557 367 A N 1.734 124.208 122.820 -0.576 0.000 2.540 367 A HA 0.583 4.903 4.320 -0.000 0.000 0.297 367 A C -1.446 175.838 177.584 -0.501 0.000 1.056 367 A CA -0.558 51.306 52.037 -0.287 0.000 0.700 367 A CB 1.445 20.434 19.000 -0.017 0.000 1.280 367 A HN 0.550 nan 8.150 nan 0.000 0.398 368 S N 1.164 116.684 115.700 -0.300 0.000 2.519 368 S HA 0.615 5.085 4.470 -0.000 0.000 0.309 368 S C -0.767 173.426 174.600 -0.678 0.000 1.100 368 S CA -0.503 57.454 58.200 -0.404 0.000 1.059 368 S CB 1.141 64.299 63.200 -0.071 0.000 1.008 368 S HN 0.654 nan 8.310 nan 0.000 0.478 369 N N 2.141 120.233 118.700 -1.013 0.000 2.442 369 N HA 0.415 5.155 4.740 -0.000 0.000 0.274 369 N C -1.084 173.767 175.510 -1.097 0.000 1.002 369 N CA -0.750 51.626 53.050 -1.123 0.000 0.910 369 N CB 0.963 38.672 38.487 -1.298 0.000 1.244 369 N HN 0.219 nan 8.380 nan 0.000 0.492 370 R N 2.127 121.902 120.500 -1.208 0.000 2.288 370 R HA 0.432 4.772 4.340 -0.000 0.000 0.326 370 R C -0.506 175.396 176.300 -0.663 0.000 0.959 370 R CA -0.659 54.900 56.100 -0.901 0.000 0.834 370 R CB 1.025 30.689 30.300 -1.061 0.000 1.157 370 R HN 0.423 nan 8.270 nan 0.000 0.470 371 R N 0.227 120.407 120.500 -0.534 0.000 2.387 371 R HA 0.141 4.481 4.340 -0.000 0.000 0.314 371 R C 1.250 177.249 176.300 -0.501 0.000 0.958 371 R CA -0.118 55.581 56.100 -0.667 0.000 0.846 371 R CB 1.471 31.275 30.300 -0.827 0.000 1.147 371 R HN 0.692 nan 8.270 nan 0.000 0.447 372 S N 3.412 118.875 115.700 -0.395 0.000 2.436 372 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 372 S C 1.066 175.652 174.600 -0.023 0.000 1.014 372 S CA 0.596 58.749 58.200 -0.078 0.000 0.950 372 S CB -0.083 63.197 63.200 0.134 0.000 0.784 372 S HN 0.635 nan 8.310 nan 0.000 0.504 373 F N 0.203 120.149 119.950 -0.005 0.000 2.653 373 F HA 0.599 5.126 4.527 -0.000 0.000 0.304 373 F C 0.360 176.162 175.800 0.003 0.000 1.092 373 F CA -1.193 56.808 58.000 0.000 0.000 1.279 373 F CB -0.509 38.488 39.000 -0.006 0.000 1.044 373 F HN 0.111 nan 8.300 nan 0.000 0.564 374 N N -0.150 118.369 118.700 -0.302 0.000 3.243 374 N HA 0.255 4.995 4.740 -0.000 0.000 0.280 374 N C -1.159 174.294 175.510 -0.096 0.000 1.545 374 N CA -0.049 52.915 53.050 -0.143 0.000 0.854 374 N CB 1.953 40.346 38.487 -0.157 0.000 1.612 374 N HN 0.025 nan 8.380 nan 0.000 0.577 375 S N 0.236 115.954 115.700 0.030 0.000 2.564 375 S HA 0.350 4.820 4.470 -0.000 0.000 0.278 375 S C -0.541 174.189 174.600 0.216 0.000 1.333 375 S CA -0.421 57.866 58.200 0.144 0.000 1.048 375 S CB 0.466 63.804 63.200 0.231 0.000 0.900 375 S HN 0.367 nan 8.310 nan 0.000 0.505 376 D N 1.477 121.971 120.400 0.157 0.000 2.253 376 D HA 0.757 5.397 4.640 -0.000 0.000 0.249 376 D C -0.170 176.211 176.300 0.135 0.000 1.049 376 D CA -0.135 53.859 54.000 -0.010 0.000 0.929 376 D CB 0.774 41.513 40.800 -0.102 0.000 1.176 376 D HN 0.610 nan 8.370 nan 0.000 0.437 377 F N -2.023 117.760 119.950 -0.277 0.000 2.858 377 F HA 0.492 5.019 4.527 0.000 0.000 0.319 377 F C -1.813 173.774 175.800 -0.356 0.000 1.166 377 F CA -1.103 56.657 58.000 -0.401 0.000 0.899 377 F CB 1.202 39.675 39.000 -0.879 0.000 1.332 377 F HN -0.014 nan 8.300 nan 0.000 0.461 378 D N 0.806 121.126 120.400 -0.132 0.000 2.527 378 D HA 0.374 5.014 4.640 -0.000 0.000 0.233 378 D C -1.692 174.514 176.300 -0.157 0.000 1.063 378 D CA -0.338 53.536 54.000 -0.210 0.000 0.880 378 D CB 2.513 43.291 40.800 -0.037 0.000 1.457 378 D HN 0.736 nan 8.370 nan 0.000 0.475 379 Q N 0.399 120.002 119.800 -0.329 0.000 2.305 379 Q HA 0.493 4.833 4.340 -0.000 0.000 0.271 379 Q C -1.666 174.154 176.000 -0.300 0.000 1.046 379 Q CA -0.497 55.116 55.803 -0.317 0.000 0.798 379 Q CB 1.856 30.451 28.738 -0.238 0.000 1.286 379 Q HN 0.307 nan 8.270 nan 0.000 0.435 380 T N 3.678 118.074 114.554 -0.264 0.000 2.841 380 T HA 0.606 4.956 4.350 -0.000 0.000 0.285 380 T C -0.997 173.543 174.700 -0.266 0.000 0.991 380 T CA -0.557 61.478 62.100 -0.108 0.000 0.966 380 T CB 1.082 69.972 68.868 0.037 0.000 0.962 380 T HN 0.521 nan 8.240 nan 0.000 0.438 381 R N 1.649 122.053 120.500 -0.161 0.000 2.686 381 R HA 0.764 5.104 4.340 -0.000 0.000 0.283 381 R C -1.636 174.631 176.300 -0.054 0.000 0.978 381 R CA -0.887 55.125 56.100 -0.147 0.000 0.897 381 R CB 1.858 32.068 30.300 -0.151 0.000 1.192 381 R HN 0.377 nan 8.270 nan 0.000 0.457 382 L N 2.399 123.631 121.223 0.014 0.000 2.406 382 L HA 0.596 4.936 4.340 -0.000 0.000 0.272 382 L C -1.705 175.139 176.870 -0.043 0.000 0.980 382 L CA -0.542 54.314 54.840 0.026 0.000 0.831 382 L CB 2.274 44.409 42.059 0.127 0.000 1.253 382 L HN 0.406 nan 8.230 nan 0.000 0.406 383 V N 5.746 125.579 119.914 -0.135 0.000 2.488 383 V HA 0.471 4.591 4.120 -0.000 0.000 0.293 383 V C -0.563 175.475 176.094 -0.094 0.000 1.027 383 V CA -0.693 61.489 62.300 -0.197 0.000 0.862 383 V CB 1.790 33.333 31.823 -0.466 0.000 1.008 383 V HN 0.475 nan 8.190 nan 0.000 0.428 384 V N 3.806 123.708 119.914 -0.019 0.000 2.394 384 V HA 0.614 4.734 4.120 -0.000 0.000 0.282 384 V C 0.217 176.312 176.094 0.001 0.000 1.031 384 V CA 0.022 62.322 62.300 0.001 0.000 0.881 384 V CB 1.737 33.583 31.823 0.037 0.000 0.982 384 V HN 0.915 nan 8.190 nan 0.000 0.451 385 S N 4.120 119.817 115.700 -0.006 0.000 2.538 385 S HA 0.656 5.126 4.470 -0.000 0.000 0.288 385 S C -1.358 173.266 174.600 0.039 0.000 1.108 385 S CA -0.568 57.630 58.200 -0.003 0.000 0.971 385 S CB 1.596 64.769 63.200 -0.045 0.000 1.041 385 S HN 0.673 nan 8.310 nan 0.000 0.483 386 Y N 4.593 124.855 120.300 -0.064 0.000 2.338 386 Y HA 0.552 5.102 4.550 0.000 0.000 0.333 386 Y C -2.867 172.999 175.900 -0.056 0.000 0.968 386 Y CA -1.899 56.164 58.100 -0.062 0.000 1.123 386 Y CB 2.074 40.502 38.460 -0.052 0.000 1.165 386 Y HN 0.375 nan 8.280 nan 0.000 0.452 387 P HA 0.403 nan 4.420 nan 0.000 0.303 387 P C -1.561 175.356 177.300 -0.638 0.000 1.350 387 P CA -0.386 62.399 63.100 -0.524 0.000 0.880 387 P CB 2.503 33.983 31.700 -0.368 0.000 1.018 388 L N 1.924 122.951 121.223 -0.328 0.000 2.341 388 L HA 0.540 4.880 4.340 -0.000 0.000 0.278 388 L C 0.633 177.217 176.870 -0.476 0.000 1.005 388 L CA -0.351 54.245 54.840 -0.406 0.000 0.818 388 L CB 2.029 43.907 42.059 -0.301 0.000 1.259 388 L HN 0.384 nan 8.230 nan 0.000 0.418 389 S N 2.197 117.528 115.700 -0.616 0.000 2.689 389 S HA 0.760 5.230 4.470 -0.000 0.000 0.306 389 S C -1.563 172.694 174.600 -0.571 0.000 1.104 389 S CA -0.395 57.569 58.200 -0.393 0.000 0.973 389 S CB 1.308 64.379 63.200 -0.215 0.000 1.121 389 S HN 0.507 nan 8.310 nan 0.000 0.523 390 W N 0.000 121.315 121.300 0.025 0.000 2.388 390 W HA 0.000 4.660 4.660 0.000 0.000 0.303 390 W CA 0.000 57.367 57.345 0.036 0.000 1.226 390 W CB 0.000 29.493 29.460 0.055 0.000 1.126 390 W HN 0.000 nan 8.180 nan 0.000 0.535