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 2ohm_1_A DATA FIRST_RESID -1 DATA SEQUENCE FVEMVDNLRG KSGQGYYVEM TVGSPPQTLN ILVDTGSSNF AVGAAPHPFL DATA SEQUENCE HRYYQRQLSS TYRDLRKGVY VPYTQGKWEG ELGTDLVSIP HGPNVTVRAN DATA SEQUENCE IAAITESDKF FINGSNWEGI LGLAYAEIAR PDDSLEPFFD SLVKQTHVPN DATA SEQUENCE LFSLQLcGAX XXXXXXXXXA SVGGSMIIGG IDHSLYTGSL WYTPIRREWY DATA SEQUENCE YEVIIVRVEI NGQDLKMDcK EYNYDKSIVD SGTTNLRLPK KVFEAAVKSI DATA SEQUENCE KAASSTEKFP DGFWLGEQLV cWQAGTTPWN IFPVISLYLM GEVTNQSFRI DATA SEQUENCE TILPQQYLRP VEDVATSQDD cYKFAISQSS TGTVMGAVIM EGFYVVFDRA DATA SEQUENCE RKRIGFAVSA cHVHDEFRTA AVEGPFVTLD MEDcGYN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 F HA 0.000 nan 4.527 nan 0.000 0.279 -1 F C 0.000 175.823 175.800 0.038 0.000 0.967 -1 F CA 0.000 58.030 58.000 0.050 0.000 1.383 -1 F CB 0.000 39.029 39.000 0.049 0.000 1.145 0 V N 0.189 120.210 119.914 0.178 0.000 2.324 0 V HA -0.306 3.813 4.120 -0.001 0.000 0.250 0 V C 2.306 178.457 176.094 0.096 0.000 1.060 0 V CA 2.441 64.803 62.300 0.104 0.000 1.042 0 V CB -1.071 30.787 31.823 0.058 0.000 0.650 0 V HN 0.591 nan 8.190 nan 0.000 0.450 1 E N 1.332 121.602 120.200 0.116 0.000 2.160 1 E HA -0.274 4.076 4.350 -0.001 0.000 0.195 1 E C 1.963 178.644 176.600 0.136 0.000 0.991 1 E CA 2.319 58.793 56.400 0.123 0.000 0.810 1 E CB -0.429 29.355 29.700 0.140 0.000 0.742 1 E HN 0.708 nan 8.360 nan 0.000 0.466 2 M N 0.913 120.605 119.600 0.154 0.000 2.492 2 M HA 0.144 4.624 4.480 -0.001 0.000 0.255 2 M C 0.601 176.941 176.300 0.067 0.000 1.139 2 M CA -0.064 55.313 55.300 0.128 0.000 1.096 2 M CB 0.795 33.478 32.600 0.138 0.000 1.360 2 M HN -0.201 nan 8.290 nan 0.000 0.480 3 V N 3.026 122.974 119.914 0.057 0.000 2.540 3 V HA -0.097 4.023 4.120 -0.001 0.000 0.297 3 V C 0.460 176.548 176.094 -0.010 0.000 1.024 3 V CA 0.976 63.290 62.300 0.023 0.000 1.105 3 V CB 0.180 32.016 31.823 0.021 0.000 0.938 3 V HN 0.596 nan 8.190 nan 0.000 0.482 4 D N 3.148 123.539 120.400 -0.014 0.000 3.051 4 D HA -0.165 4.475 4.640 -0.001 0.000 0.218 4 D C 0.829 177.099 176.300 -0.050 0.000 1.129 4 D CA 1.048 55.029 54.000 -0.032 0.000 0.868 4 D CB -0.942 39.832 40.800 -0.044 0.000 1.100 4 D HN 0.867 nan 8.370 nan 0.000 0.429 5 N N 0.233 118.918 118.700 -0.024 0.000 2.314 5 N HA 0.065 4.805 4.740 -0.001 0.000 0.200 5 N C 0.156 175.670 175.510 0.007 0.000 1.135 5 N CA 0.090 53.140 53.050 -0.000 0.000 0.835 5 N CB 0.042 38.573 38.487 0.074 0.000 0.989 5 N HN 0.393 nan 8.380 nan 0.000 0.478 6 L N 0.212 121.423 121.223 -0.021 0.000 2.346 6 L HA 0.555 4.894 4.340 -0.001 0.000 0.276 6 L C 0.130 176.930 176.870 -0.116 0.000 1.006 6 L CA -0.760 54.053 54.840 -0.045 0.000 0.817 6 L CB 1.908 43.977 42.059 0.017 0.000 1.272 6 L HN -0.036 nan 8.230 nan 0.000 0.421 7 R N 0.558 120.824 120.500 -0.391 0.000 2.855 7 R HA 0.892 5.231 4.340 -0.001 0.000 0.266 7 R C -0.624 175.109 176.300 -0.944 0.000 1.034 7 R CA -0.711 55.062 56.100 -0.545 0.000 0.944 7 R CB 2.481 32.504 30.300 -0.462 0.000 1.219 7 R HN 0.801 nan 8.270 nan 0.000 0.474 8 G N 0.326 108.778 108.800 -0.579 0.000 2.430 8 G HA2 0.339 4.299 3.960 -0.001 0.000 0.300 8 G HA3 0.339 4.299 3.960 -0.001 0.000 0.300 8 G C -1.834 172.977 174.900 -0.148 0.000 1.330 8 G CA -0.705 44.176 45.100 -0.366 0.000 0.813 8 G HN 0.258 nan 8.290 nan 0.000 0.487 9 K N 0.055 120.410 120.400 -0.076 0.000 2.426 9 K HA 0.594 4.913 4.320 -0.001 0.000 0.251 9 K C -0.290 176.254 176.600 -0.093 0.000 0.941 9 K CA -0.727 55.523 56.287 -0.062 0.000 0.808 9 K CB 2.289 34.792 32.500 0.005 0.000 1.265 9 K HN 0.548 nan 8.250 nan 0.000 0.432 10 S N 0.389 116.039 115.700 -0.082 0.000 2.626 10 S HA 0.092 4.562 4.470 -0.001 0.000 0.303 10 S C 1.296 175.871 174.600 -0.042 0.000 1.256 10 S CA 1.878 60.037 58.200 -0.068 0.000 1.069 10 S CB -0.481 62.694 63.200 -0.040 0.000 0.807 10 S HN 0.867 nan 8.310 nan 0.000 0.500 11 G N 4.201 112.980 108.800 -0.035 0.000 2.284 11 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.261 11 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.261 11 G C 0.485 175.394 174.900 0.016 0.000 0.997 11 G CA 0.673 45.770 45.100 -0.006 0.000 0.621 11 G HN 0.738 nan 8.290 nan 0.000 0.534 12 Q N 0.785 120.602 119.800 0.028 0.000 2.212 12 Q HA 0.457 4.797 4.340 -0.001 0.000 0.213 12 Q C 1.334 177.444 176.000 0.183 0.000 0.874 12 Q CA 0.213 56.102 55.803 0.143 0.000 0.965 12 Q CB 0.510 29.340 28.738 0.153 0.000 1.074 12 Q HN 1.560 nan 8.270 nan 0.000 0.473 13 G N 0.851 109.650 108.800 -0.001 0.000 2.894 13 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.247 13 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.247 13 G C -1.055 173.717 174.900 -0.213 0.000 1.442 13 G CA -0.713 44.341 45.100 -0.076 0.000 0.897 13 G HN 0.312 nan 8.290 nan 0.000 0.550 14 Y N 0.176 120.424 120.300 -0.086 0.000 2.341 14 Y HA 0.628 5.178 4.550 -0.001 0.000 0.337 14 Y C 0.580 176.410 175.900 -0.117 0.000 1.014 14 Y CA -0.217 57.802 58.100 -0.135 0.000 1.111 14 Y CB 1.792 40.176 38.460 -0.128 0.000 1.194 14 Y HN 0.758 nan 8.280 nan 0.000 0.462 15 Y N 0.481 120.806 120.300 0.043 0.000 2.499 15 Y HA 0.803 5.353 4.550 -0.001 0.000 0.347 15 Y C -1.555 174.358 175.900 0.020 0.000 0.987 15 Y CA -1.756 56.338 58.100 -0.011 0.000 1.044 15 Y CB 0.919 39.400 38.460 0.036 0.000 1.245 15 Y HN 0.396 nan 8.280 nan 0.000 0.461 16 V N 2.626 122.644 119.914 0.175 0.000 2.628 16 V HA 0.367 4.487 4.120 -0.001 0.000 0.306 16 V C -0.487 175.693 176.094 0.144 0.000 1.045 16 V CA -0.808 61.557 62.300 0.108 0.000 0.905 16 V CB 1.641 33.461 31.823 -0.005 0.000 0.997 16 V HN 0.992 nan 8.190 nan 0.000 0.436 17 E N 5.724 126.010 120.200 0.144 0.000 2.360 17 E HA 0.432 4.782 4.350 -0.001 0.000 0.269 17 E C -0.796 175.814 176.600 0.016 0.000 1.022 17 E CA -0.156 56.300 56.400 0.094 0.000 0.887 17 E CB 0.791 30.554 29.700 0.105 0.000 0.990 17 E HN 0.690 nan 8.360 nan 0.000 0.426 18 M N 2.079 121.675 119.600 -0.005 0.000 2.631 18 M HA 0.325 4.804 4.480 -0.001 0.000 0.288 18 M C -0.737 175.553 176.300 -0.018 0.000 1.260 18 M CA -0.995 54.280 55.300 -0.041 0.000 0.842 18 M CB 2.481 35.032 32.600 -0.083 0.000 1.743 18 M HN 0.553 nan 8.290 nan 0.000 0.461 19 T N -0.662 113.883 114.554 -0.016 0.000 2.841 19 T HA 0.820 5.170 4.350 -0.001 0.000 0.283 19 T C -0.864 173.845 174.700 0.015 0.000 1.000 19 T CA -0.733 61.365 62.100 -0.003 0.000 0.977 19 T CB 1.484 70.350 68.868 -0.003 0.000 0.979 19 T HN 0.420 nan 8.240 nan 0.000 0.446 20 V N 2.047 121.958 119.914 -0.004 0.000 2.735 20 V HA 0.874 4.994 4.120 -0.001 0.000 0.310 20 V C 0.931 177.051 176.094 0.042 0.000 1.061 20 V CA 0.304 62.585 62.300 -0.031 0.000 0.913 20 V CB 1.087 32.744 31.823 -0.277 0.000 1.005 20 V HN 1.634 nan 8.190 nan 0.000 0.428 21 G N 3.847 112.715 108.800 0.113 0.000 2.880 21 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.617 21 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.617 21 G C -0.358 174.614 174.900 0.119 0.000 1.493 21 G CA -0.235 44.976 45.100 0.185 0.000 0.916 21 G HN 1.316 nan 8.290 nan 0.000 0.553 22 S N 2.133 117.900 115.700 0.112 0.000 2.552 22 S HA 0.747 5.216 4.470 -0.001 0.000 0.314 22 S C -2.096 172.542 174.600 0.062 0.000 1.099 22 S CA -0.971 57.273 58.200 0.073 0.000 1.070 22 S CB 2.663 65.901 63.200 0.063 0.000 0.998 22 S HN 0.840 nan 8.310 nan 0.000 0.474 23 P HA 0.270 nan 4.420 nan 0.000 0.271 23 P C -2.816 174.510 177.300 0.043 0.000 1.244 23 P CA -1.468 61.654 63.100 0.036 0.000 0.793 23 P CB -0.827 30.886 31.700 0.022 0.000 0.984 24 P HA 0.185 nan 4.420 nan 0.000 0.276 24 P C -0.676 176.638 177.300 0.025 0.000 1.235 24 P CA 0.172 63.291 63.100 0.031 0.000 0.772 24 P CB 0.475 32.184 31.700 0.015 0.000 0.871 25 Q N 1.281 121.102 119.800 0.035 0.000 2.314 25 Q HA 0.305 4.645 4.340 -0.001 0.000 0.259 25 Q C -0.152 175.849 176.000 0.001 0.000 0.951 25 Q CA -0.308 55.508 55.803 0.021 0.000 0.909 25 Q CB 0.981 29.755 28.738 0.061 0.000 1.236 25 Q HN 0.364 nan 8.270 nan 0.000 0.444 26 T N 4.000 118.548 114.554 -0.010 0.000 2.794 26 T HA 0.441 4.790 4.350 -0.001 0.000 0.296 26 T C -0.274 174.417 174.700 -0.015 0.000 0.949 26 T CA -0.193 61.899 62.100 -0.012 0.000 1.101 26 T CB 0.213 69.073 68.868 -0.013 0.000 0.905 26 T HN 0.324 nan 8.240 nan 0.000 0.516 27 L N 3.346 124.565 121.223 -0.006 0.000 2.388 27 L HA 0.520 4.860 4.340 -0.001 0.000 0.264 27 L C -0.229 176.649 176.870 0.013 0.000 0.998 27 L CA -1.320 53.520 54.840 -0.001 0.000 0.817 27 L CB 1.862 43.927 42.059 0.010 0.000 1.338 27 L HN 0.444 nan 8.230 nan 0.000 0.414 28 N N 2.816 121.509 118.700 -0.012 0.000 2.419 28 N HA 0.437 5.176 4.740 -0.001 0.000 0.264 28 N C -0.838 174.721 175.510 0.083 0.000 1.031 28 N CA -0.321 52.731 53.050 0.005 0.000 0.951 28 N CB 1.590 39.919 38.487 -0.263 0.000 1.101 28 N HN 0.293 nan 8.380 nan 0.000 0.488 29 I N 2.298 122.935 120.570 0.112 0.000 2.404 29 I HA 0.276 4.446 4.170 -0.001 0.000 0.293 29 I C 0.310 176.429 176.117 0.003 0.000 0.992 29 I CA -0.996 60.353 61.300 0.083 0.000 1.149 29 I CB 1.417 39.461 38.000 0.073 0.000 1.315 29 I HN 0.281 nan 8.210 nan 0.000 0.446 30 L N 6.884 127.992 121.223 -0.191 0.000 2.462 30 L HA 0.162 4.502 4.340 -0.001 0.000 0.272 30 L C -0.118 176.608 176.870 -0.241 0.000 1.166 30 L CA 0.229 54.829 54.840 -0.401 0.000 0.880 30 L CB 0.758 42.245 42.059 -0.954 0.000 1.142 30 L HN 0.322 nan 8.230 nan 0.000 0.473 31 V N 4.930 124.738 119.914 -0.176 0.000 2.389 31 V HA 0.215 4.334 4.120 -0.001 0.000 0.264 31 V C -0.363 175.626 176.094 -0.175 0.000 1.049 31 V CA -0.196 61.993 62.300 -0.185 0.000 0.932 31 V CB 0.897 32.619 31.823 -0.168 0.000 1.011 31 V HN 0.746 nan 8.190 nan 0.000 0.475 32 D N 3.241 123.537 120.400 -0.172 0.000 2.421 32 D HA 0.212 4.851 4.640 -0.001 0.000 0.254 32 D C 1.039 177.297 176.300 -0.069 0.000 1.238 32 D CA -0.195 53.742 54.000 -0.105 0.000 0.919 32 D CB 1.767 42.519 40.800 -0.081 0.000 1.152 32 D HN 0.557 nan 8.370 nan 0.000 0.552 33 T N -0.087 114.440 114.554 -0.045 0.000 3.160 33 T HA 0.146 4.496 4.350 -0.001 0.000 0.257 33 T C 1.445 176.271 174.700 0.209 0.000 1.147 33 T CA 0.322 62.467 62.100 0.076 0.000 1.064 33 T CB 0.137 68.997 68.868 -0.014 0.000 0.949 33 T HN 0.298 nan 8.240 nan 0.000 0.526 34 G N 0.745 109.627 108.800 0.137 0.000 3.337 34 G HA2 0.461 4.421 3.960 -0.001 0.000 0.246 34 G HA3 0.461 4.421 3.960 -0.001 0.000 0.246 34 G C 0.177 175.151 174.900 0.123 0.000 1.131 34 G CA 0.089 45.307 45.100 0.195 0.000 0.773 34 G HN 0.828 nan 8.290 nan 0.000 0.544 35 S N -2.080 113.645 115.700 0.042 0.000 2.611 35 S HA 0.578 5.048 4.470 -0.001 0.000 0.268 35 S C -0.229 174.375 174.600 0.007 0.000 1.156 35 S CA -0.190 58.021 58.200 0.019 0.000 0.817 35 S CB 1.504 64.791 63.200 0.146 0.000 1.122 35 S HN -0.022 nan 8.310 nan 0.000 0.466 36 S N 0.524 116.245 115.700 0.036 0.000 2.900 36 S HA 0.399 4.868 4.470 -0.001 0.000 0.253 36 S C -0.359 174.319 174.600 0.131 0.000 1.029 36 S CA -0.535 57.693 58.200 0.047 0.000 1.096 36 S CB -0.247 62.958 63.200 0.009 0.000 1.067 36 S HN 0.621 nan 8.310 nan 0.000 0.610 37 N N 1.384 120.197 118.700 0.188 0.000 2.405 37 N HA 0.409 5.149 4.740 -0.001 0.000 0.299 37 N C -1.760 173.924 175.510 0.290 0.000 1.075 37 N CA -0.287 52.921 53.050 0.263 0.000 0.884 37 N CB 1.333 40.040 38.487 0.367 0.000 1.194 37 N HN 0.139 nan 8.380 nan 0.000 0.491 38 F N 2.354 122.362 119.950 0.097 0.000 2.361 38 F HA 0.584 5.110 4.527 -0.001 0.000 0.364 38 F C -0.730 175.062 175.800 -0.015 0.000 1.120 38 F CA -1.526 56.485 58.000 0.019 0.000 1.102 38 F CB 0.287 39.312 39.000 0.041 0.000 1.183 38 F HN 0.419 nan 8.300 nan 0.000 0.476 39 A N 6.819 129.458 122.820 -0.303 0.000 2.414 39 A HA 0.679 4.999 4.320 -0.001 0.000 0.286 39 A C -1.530 175.794 177.584 -0.434 0.000 1.073 39 A CA -0.419 51.301 52.037 -0.528 0.000 0.727 39 A CB 0.829 19.210 19.000 -1.031 0.000 1.215 39 A HN 1.001 nan 8.150 nan 0.000 0.430 40 V N 0.338 120.029 119.914 -0.372 0.000 2.815 40 V HA 0.960 5.080 4.120 -0.001 0.000 0.314 40 V C 0.588 176.715 176.094 0.055 0.000 1.064 40 V CA -0.297 61.929 62.300 -0.123 0.000 0.952 40 V CB 1.381 33.079 31.823 -0.209 0.000 1.020 40 V HN 1.439 nan 8.190 nan 0.000 0.439 41 G N 1.248 110.191 108.800 0.239 0.000 2.340 41 G HA2 0.498 4.458 3.960 -0.001 0.000 0.245 41 G HA3 0.498 4.458 3.960 -0.001 0.000 0.245 41 G C 0.489 175.518 174.900 0.215 0.000 1.294 41 G CA 0.113 45.375 45.100 0.269 0.000 0.896 41 G HN 1.791 nan 8.290 nan 0.000 0.522 42 A N 1.457 124.367 122.820 0.149 0.000 2.571 42 A HA 0.777 5.097 4.320 -0.001 0.000 0.274 42 A C 0.803 178.389 177.584 0.004 0.000 1.196 42 A CA 0.718 52.840 52.037 0.142 0.000 0.957 42 A CB 0.147 19.190 19.000 0.071 0.000 1.150 42 A HN 1.760 nan 8.150 nan 0.000 0.539 43 A N 0.419 123.086 122.820 -0.256 0.000 2.594 43 A HA 0.727 5.047 4.320 -0.001 0.000 0.295 43 A C -3.139 173.868 177.584 -0.961 0.000 1.071 43 A CA -1.432 50.293 52.037 -0.520 0.000 0.685 43 A CB 1.011 19.889 19.000 -0.204 0.000 1.285 43 A HN -0.022 nan 8.150 nan 0.000 0.405 44 P HA 0.096 nan 4.420 nan 0.000 0.230 44 P C -0.334 176.760 177.300 -0.344 0.000 1.791 44 P CA 0.297 62.925 63.100 -0.786 0.000 1.020 44 P CB -0.889 30.570 31.700 -0.402 0.000 1.977 45 H N 4.097 122.946 119.070 -0.369 0.000 2.928 45 H HA 0.046 4.602 4.556 -0.001 0.000 0.338 45 H C -0.882 174.275 175.328 -0.285 0.000 1.047 45 H CA -0.766 55.111 56.048 -0.285 0.000 1.435 45 H CB 0.868 30.503 29.762 -0.212 0.000 1.428 45 H HN 0.151 nan 8.280 nan 0.000 0.590 46 P HA -0.136 nan 4.420 nan 0.000 0.229 46 P C 0.610 177.921 177.300 0.018 0.000 1.160 46 P CA 0.832 63.785 63.100 -0.246 0.000 0.777 46 P CB 0.222 31.736 31.700 -0.311 0.000 0.814 47 F N -0.196 119.776 119.950 0.035 0.000 2.748 47 F HA 0.134 4.661 4.527 -0.001 0.000 0.299 47 F C 1.468 177.124 175.800 -0.240 0.000 1.154 47 F CA -0.504 57.458 58.000 -0.063 0.000 1.446 47 F CB -1.193 37.821 39.000 0.023 0.000 1.112 47 F HN -0.164 nan 8.300 nan 0.000 0.584 48 L N -0.350 120.836 121.223 -0.060 0.000 2.305 48 L HA 0.180 4.520 4.340 -0.001 0.000 0.281 48 L C 1.387 178.187 176.870 -0.117 0.000 1.085 48 L CA -0.352 54.368 54.840 -0.200 0.000 0.813 48 L CB 1.097 42.999 42.059 -0.262 0.000 1.157 48 L HN 0.021 nan 8.230 nan 0.000 0.436 49 H N 1.852 120.856 119.070 -0.109 0.000 2.363 49 H HA 0.090 4.645 4.556 -0.001 0.000 0.301 49 H C 0.353 175.657 175.328 -0.039 0.000 1.074 49 H CA 1.245 57.251 56.048 -0.070 0.000 1.354 49 H CB 0.316 30.015 29.762 -0.104 0.000 1.397 49 H HN 0.481 nan 8.280 nan 0.000 0.516 50 R N -1.133 119.424 120.500 0.095 0.000 2.922 50 R HA 0.436 4.776 4.340 -0.001 0.000 0.256 50 R C -1.608 174.760 176.300 0.113 0.000 1.138 50 R CA -0.976 55.134 56.100 0.017 0.000 0.995 50 R CB 2.068 32.351 30.300 -0.029 0.000 1.226 50 R HN 0.142 nan 8.270 nan 0.000 0.481 51 Y N -2.630 117.660 120.300 -0.016 0.000 2.702 51 Y HA 0.355 4.905 4.550 -0.001 0.000 0.336 51 Y C -1.801 174.146 175.900 0.078 0.000 1.203 51 Y CA -1.522 56.581 58.100 0.005 0.000 1.072 51 Y CB 0.422 38.866 38.460 -0.026 0.000 1.327 51 Y HN 0.493 nan 8.280 nan 0.000 0.456 52 Y N 3.199 123.573 120.300 0.124 0.000 2.402 52 Y HA 0.346 4.896 4.550 -0.001 0.000 0.333 52 Y C -0.387 175.533 175.900 0.034 0.000 1.076 52 Y CA -0.803 57.305 58.100 0.013 0.000 1.299 52 Y CB 1.007 39.460 38.460 -0.013 0.000 1.197 52 Y HN 0.707 nan 8.280 nan 0.000 0.517 53 Q N 7.325 127.080 119.800 -0.075 0.000 2.626 53 Q HA 0.252 4.592 4.340 -0.001 0.000 0.239 53 Q C 0.991 176.746 176.000 -0.409 0.000 1.101 53 Q CA -0.390 55.289 55.803 -0.206 0.000 0.918 53 Q CB 0.805 29.458 28.738 -0.141 0.000 1.151 53 Q HN 0.808 nan 8.270 nan 0.000 0.531 54 R N 1.057 121.093 120.500 -0.772 0.000 2.139 54 R HA -0.216 4.123 4.340 -0.001 0.000 0.243 54 R C 2.142 178.177 176.300 -0.442 0.000 1.145 54 R CA 1.589 57.142 56.100 -0.911 0.000 0.976 54 R CB 0.064 29.592 30.300 -1.287 0.000 0.866 54 R HN 0.575 nan 8.270 nan 0.000 0.449 55 Q N 0.946 120.571 119.800 -0.291 0.000 2.364 55 Q HA -0.147 4.193 4.340 -0.001 0.000 0.209 55 Q C 1.529 177.477 176.000 -0.086 0.000 0.977 55 Q CA 1.426 57.142 55.803 -0.145 0.000 0.885 55 Q CB -0.095 28.580 28.738 -0.104 0.000 0.941 55 Q HN 0.442 nan 8.270 nan 0.000 0.464 56 L N 0.992 122.159 121.223 -0.094 0.000 2.592 56 L HA 0.193 4.532 4.340 -0.001 0.000 0.227 56 L C 0.916 177.786 176.870 0.001 0.000 1.127 56 L CA -0.065 54.752 54.840 -0.039 0.000 0.884 56 L CB 0.453 42.488 42.059 -0.041 0.000 1.065 56 L HN 0.029 nan 8.230 nan 0.000 0.457 57 S N -0.802 114.905 115.700 0.012 0.000 2.474 57 S HA 0.186 4.656 4.470 -0.001 0.000 0.321 57 S C 1.142 175.809 174.600 0.111 0.000 1.080 57 S CA -0.446 57.807 58.200 0.089 0.000 1.106 57 S CB 1.347 64.653 63.200 0.176 0.000 0.984 57 S HN 0.267 nan 8.310 nan 0.000 0.464 58 S N 2.993 118.748 115.700 0.092 0.000 2.481 58 S HA -0.074 4.395 4.470 -0.001 0.000 0.231 58 S C 1.323 175.983 174.600 0.100 0.000 0.996 58 S CA 1.040 59.290 58.200 0.084 0.000 0.942 58 S CB -0.730 62.504 63.200 0.056 0.000 0.768 58 S HN 0.869 nan 8.310 nan 0.000 0.520 59 T N -1.975 112.654 114.554 0.125 0.000 3.145 59 T HA 0.264 4.614 4.350 -0.001 0.000 0.255 59 T C 0.072 174.860 174.700 0.146 0.000 1.039 59 T CA -0.676 61.490 62.100 0.110 0.000 0.928 59 T CB -0.660 68.265 68.868 0.095 0.000 1.029 59 T HN 0.424 nan 8.240 nan 0.000 0.554 60 Y N 2.763 123.109 120.300 0.077 0.000 2.397 60 Y HA 0.498 5.048 4.550 -0.001 0.000 0.335 60 Y C 0.116 176.052 175.900 0.061 0.000 1.213 60 Y CA -1.044 57.110 58.100 0.090 0.000 1.391 60 Y CB 0.559 39.056 38.460 0.062 0.000 1.293 60 Y HN 0.042 nan 8.280 nan 0.000 0.557 61 R N 4.278 124.158 120.500 -1.033 0.000 2.510 61 R HA 0.143 4.482 4.340 -0.001 0.000 0.294 61 R C -1.788 173.947 176.300 -0.940 0.000 1.056 61 R CA -0.960 54.697 56.100 -0.737 0.000 0.918 61 R CB 1.123 31.240 30.300 -0.305 0.000 1.187 61 R HN 0.653 nan 8.270 nan 0.000 0.437 62 D N 3.166 123.193 120.400 -0.622 0.000 2.383 62 D HA 0.047 4.687 4.640 -0.001 0.000 0.252 62 D C 0.715 176.953 176.300 -0.104 0.000 1.166 62 D CA -0.020 53.853 54.000 -0.212 0.000 0.879 62 D CB 1.140 41.983 40.800 0.071 0.000 1.164 62 D HN 0.504 nan 8.370 nan 0.000 0.462 63 L N 3.615 124.818 121.223 -0.033 0.000 2.591 63 L HA 0.159 4.499 4.340 -0.001 0.000 0.228 63 L C 0.846 177.731 176.870 0.024 0.000 1.133 63 L CA -0.086 54.753 54.840 -0.001 0.000 0.880 63 L CB -0.236 41.838 42.059 0.025 0.000 1.033 63 L HN 0.471 nan 8.230 nan 0.000 0.450 64 R N 0.779 121.303 120.500 0.040 0.000 3.251 64 R HA -0.205 4.134 4.340 -0.001 0.000 0.249 64 R C -0.092 176.233 176.300 0.042 0.000 0.949 64 R CA 0.656 56.781 56.100 0.043 0.000 0.645 64 R CB -1.575 28.742 30.300 0.028 0.000 1.065 64 R HN 0.310 nan 8.270 nan 0.000 0.452 65 K N -0.548 119.885 120.400 0.054 0.000 2.556 65 K HA 0.607 4.927 4.320 -0.001 0.000 0.274 65 K C -0.411 176.227 176.600 0.064 0.000 0.966 65 K CA -0.236 56.081 56.287 0.049 0.000 0.865 65 K CB 2.056 34.583 32.500 0.044 0.000 1.444 65 K HN 0.141 nan 8.250 nan 0.000 0.433 66 G N 0.222 109.055 108.800 0.053 0.000 2.537 66 G HA2 0.653 4.613 3.960 -0.001 0.000 0.323 66 G HA3 0.653 4.613 3.960 -0.001 0.000 0.323 66 G C -1.113 173.813 174.900 0.044 0.000 1.207 66 G CA -0.664 44.473 45.100 0.061 0.000 0.976 66 G HN 0.518 nan 8.290 nan 0.000 0.487 67 V N -2.028 117.905 119.914 0.031 0.000 2.686 67 V HA 0.701 4.821 4.120 -0.001 0.000 0.306 67 V C -1.608 174.382 176.094 -0.174 0.000 1.065 67 V CA -1.246 61.014 62.300 -0.066 0.000 0.894 67 V CB 1.259 33.037 31.823 -0.075 0.000 1.004 67 V HN 0.754 nan 8.190 nan 0.000 0.424 68 Y N 3.739 123.846 120.300 -0.322 0.000 2.341 68 Y HA 0.814 5.364 4.550 -0.001 0.000 0.338 68 Y C -0.768 174.804 175.900 -0.547 0.000 0.965 68 Y CA -0.929 56.940 58.100 -0.385 0.000 1.108 68 Y CB 2.201 40.521 38.460 -0.232 0.000 1.180 68 Y HN 0.638 nan 8.280 nan 0.000 0.458 69 V N 9.092 128.408 119.914 -0.997 0.000 2.398 69 V HA 0.396 4.515 4.120 -0.001 0.000 0.282 69 V C -2.518 172.976 176.094 -1.001 0.000 1.014 69 V CA -1.543 60.144 62.300 -1.023 0.000 0.838 69 V CB 1.308 32.166 31.823 -1.608 0.000 1.018 69 V HN 0.653 nan 8.190 nan 0.000 0.432 70 P HA 0.641 nan 4.420 nan 0.000 0.283 70 P C -1.249 175.714 177.300 -0.562 0.000 1.271 70 P CA -0.335 62.516 63.100 -0.416 0.000 0.841 70 P CB 1.726 33.417 31.700 -0.016 0.000 1.122 71 Y N -1.485 118.819 120.300 0.006 0.000 3.320 71 Y HA 0.552 5.102 4.550 -0.001 0.000 0.276 71 Y C 0.229 176.156 175.900 0.045 0.000 2.015 71 Y CA -0.494 57.630 58.100 0.041 0.000 0.982 71 Y CB 0.587 39.093 38.460 0.076 0.000 1.555 71 Y HN 0.101 nan 8.280 nan 0.000 0.545 72 T N 0.955 115.657 114.554 0.247 0.000 2.864 72 T HA 0.288 4.638 4.350 -0.001 0.000 0.299 72 T C -0.648 174.130 174.700 0.129 0.000 1.011 72 T CA -0.846 61.340 62.100 0.144 0.000 0.975 72 T CB 1.137 70.064 68.868 0.098 0.000 0.962 72 T HN 0.398 nan 8.240 nan 0.000 0.448 73 Q N 1.833 121.704 119.800 0.119 0.000 2.341 73 Q HA 0.276 4.616 4.340 -0.001 0.000 0.325 73 Q C 0.888 176.976 176.000 0.148 0.000 0.920 73 Q CA -0.562 55.316 55.803 0.123 0.000 1.065 73 Q CB 0.765 29.558 28.738 0.091 0.000 1.218 73 Q HN 0.879 nan 8.270 nan 0.000 0.434 74 G N 1.728 110.653 108.800 0.208 0.000 2.569 74 G HA2 0.317 4.276 3.960 -0.001 0.000 0.249 74 G HA3 0.317 4.276 3.960 -0.001 0.000 0.249 74 G C -0.225 174.849 174.900 0.289 0.000 1.216 74 G CA -0.173 45.089 45.100 0.269 0.000 0.845 74 G HN 0.227 nan 8.290 nan 0.000 0.568 75 K N -0.324 120.195 120.400 0.198 0.000 2.568 75 K HA 0.581 4.900 4.320 -0.001 0.000 0.273 75 K C -1.013 175.529 176.600 -0.096 0.000 0.951 75 K CA -1.107 55.145 56.287 -0.059 0.000 0.854 75 K CB 1.555 33.901 32.500 -0.257 0.000 1.424 75 K HN 0.809 nan 8.250 nan 0.000 0.427 76 W N 1.023 122.039 121.300 -0.473 0.000 2.975 76 W HA 0.774 5.434 4.660 -0.001 0.000 0.342 76 W C -1.585 174.602 176.519 -0.553 0.000 1.168 76 W CA -0.612 56.383 57.345 -0.584 0.000 1.141 76 W CB 1.555 30.433 29.460 -0.969 0.000 1.445 76 W HN 0.899 nan 8.180 nan 0.000 0.560 77 E N 0.987 121.188 120.200 0.002 0.000 2.335 77 E HA 0.563 4.913 4.350 -0.001 0.000 0.280 77 E C -0.957 175.768 176.600 0.209 0.000 0.918 77 E CA -0.449 55.884 56.400 -0.111 0.000 0.765 77 E CB 2.217 31.821 29.700 -0.161 0.000 1.218 77 E HN 0.863 nan 8.360 nan 0.000 0.425 78 G N 2.336 111.263 108.800 0.212 0.000 2.606 78 G HA2 0.430 4.390 3.960 -0.001 0.000 0.300 78 G HA3 0.430 4.390 3.960 -0.001 0.000 0.300 78 G C -1.493 173.516 174.900 0.182 0.000 1.360 78 G CA -0.696 44.561 45.100 0.262 0.000 0.783 78 G HN 0.432 nan 8.290 nan 0.000 0.484 79 E N 0.103 120.403 120.200 0.167 0.000 2.191 79 E HA 0.437 4.787 4.350 -0.001 0.000 0.263 79 E C -0.340 176.364 176.600 0.174 0.000 0.881 79 E CA -0.499 55.988 56.400 0.145 0.000 0.757 79 E CB 2.423 32.196 29.700 0.121 0.000 1.147 79 E HN 0.319 nan 8.360 nan 0.000 0.414 80 L N 2.376 123.694 121.223 0.157 0.000 2.426 80 L HA 0.552 4.891 4.340 -0.001 0.000 0.271 80 L C 0.803 177.773 176.870 0.166 0.000 1.169 80 L CA 0.092 55.027 54.840 0.158 0.000 0.836 80 L CB 0.557 42.688 42.059 0.121 0.000 1.112 80 L HN 0.680 nan 8.230 nan 0.000 0.465 81 G N 0.620 109.528 108.800 0.179 0.000 2.682 81 G HA2 0.662 4.621 3.960 -0.001 0.000 0.303 81 G HA3 0.662 4.621 3.960 -0.001 0.000 0.303 81 G C -1.226 173.724 174.900 0.082 0.000 1.341 81 G CA -0.026 45.139 45.100 0.108 0.000 0.784 81 G HN 0.602 nan 8.290 nan 0.000 0.497 82 T N -2.192 112.350 114.554 -0.020 0.000 2.900 82 T HA 0.736 5.085 4.350 -0.001 0.000 0.303 82 T C -1.692 173.066 174.700 0.097 0.000 1.142 82 T CA -0.584 61.555 62.100 0.066 0.000 1.007 82 T CB 2.950 71.835 68.868 0.028 0.000 1.156 82 T HN 0.697 nan 8.240 nan 0.000 0.490 83 D N -0.031 120.468 120.400 0.164 0.000 2.725 83 D HA 0.305 4.944 4.640 -0.001 0.000 0.292 83 D C -1.187 175.206 176.300 0.156 0.000 1.288 83 D CA -0.668 53.450 54.000 0.196 0.000 0.784 83 D CB 1.601 42.610 40.800 0.348 0.000 1.308 83 D HN 0.706 nan 8.370 nan 0.000 0.429 84 L N 1.538 122.843 121.223 0.137 0.000 2.283 84 L HA 0.413 4.753 4.340 -0.001 0.000 0.287 84 L C -0.086 176.855 176.870 0.118 0.000 1.073 84 L CA -0.691 54.213 54.840 0.106 0.000 0.822 84 L CB 1.027 43.132 42.059 0.078 0.000 1.186 84 L HN 0.069 nan 8.230 nan 0.000 0.436 85 V N 2.520 122.526 119.914 0.153 0.000 2.539 85 V HA 0.532 4.652 4.120 -0.001 0.000 0.292 85 V C 0.200 176.375 176.094 0.135 0.000 1.045 85 V CA -0.284 62.122 62.300 0.178 0.000 0.945 85 V CB 1.731 33.751 31.823 0.328 0.000 0.993 85 V HN 0.814 nan 8.190 nan 0.000 0.464 86 S N 3.983 119.730 115.700 0.079 0.000 2.588 86 S HA 0.732 5.201 4.470 -0.001 0.000 0.275 86 S C -1.193 173.410 174.600 0.005 0.000 1.130 86 S CA -0.681 57.548 58.200 0.047 0.000 0.855 86 S CB 1.548 64.761 63.200 0.023 0.000 1.116 86 S HN 0.537 nan 8.310 nan 0.000 0.472 87 I N 4.181 124.752 120.570 0.001 0.000 2.464 87 I HA 0.311 4.481 4.170 -0.001 0.000 0.277 87 I C -1.951 174.131 176.117 -0.058 0.000 1.040 87 I CA -2.248 59.033 61.300 -0.031 0.000 1.153 87 I CB 1.643 39.638 38.000 -0.009 0.000 1.274 87 I HN 0.455 nan 8.210 nan 0.000 0.469 88 P HA -0.217 nan 4.420 nan 0.000 0.219 88 P C 0.686 177.768 177.300 -0.363 0.000 1.161 88 P CA 1.754 64.678 63.100 -0.293 0.000 0.909 88 P CB 0.026 31.460 31.700 -0.444 0.000 0.793 89 H N -1.422 117.667 119.070 0.032 0.000 2.591 89 H HA 0.495 5.050 4.556 -0.001 0.000 0.302 89 H C 1.081 176.439 175.328 0.050 0.000 1.163 89 H CA 0.072 56.145 56.048 0.041 0.000 1.049 89 H CB -0.393 29.390 29.762 0.036 0.000 1.543 89 H HN 0.119 nan 8.280 nan 0.000 0.523 90 G N 0.920 109.783 108.800 0.104 0.000 3.209 90 G HA2 0.373 4.333 3.960 -0.001 0.000 0.236 90 G HA3 0.373 4.333 3.960 -0.001 0.000 0.236 90 G C -2.549 172.418 174.900 0.111 0.000 1.329 90 G CA -1.452 43.712 45.100 0.107 0.000 1.015 90 G HN -0.043 nan 8.290 nan 0.000 0.571 91 P HA 0.148 nan 4.420 nan 0.000 0.272 91 P C -0.810 176.528 177.300 0.063 0.000 1.240 91 P CA -0.428 62.736 63.100 0.108 0.000 0.791 91 P CB 0.797 32.561 31.700 0.107 0.000 0.978 92 N N 0.353 119.083 118.700 0.051 0.000 2.807 92 N HA 0.293 5.033 4.740 -0.001 0.000 0.259 92 N C -0.617 174.901 175.510 0.013 0.000 1.149 92 N CA -0.067 53.000 53.050 0.028 0.000 1.042 92 N CB -0.668 37.834 38.487 0.026 0.000 1.367 92 N HN 0.182 nan 8.380 nan 0.000 0.516 93 V N -1.196 118.722 119.914 0.006 0.000 3.188 93 V HA 0.743 4.862 4.120 -0.001 0.000 0.305 93 V C -0.305 175.786 176.094 -0.006 0.000 1.232 93 V CA -0.910 61.382 62.300 -0.013 0.000 1.043 93 V CB 2.034 33.835 31.823 -0.038 0.000 1.068 93 V HN 0.185 nan 8.190 nan 0.000 0.439 94 T N 1.805 116.349 114.554 -0.016 0.000 2.881 94 T HA 0.787 5.137 4.350 -0.001 0.000 0.290 94 T C -0.487 174.200 174.700 -0.022 0.000 1.000 94 T CA -0.403 61.697 62.100 0.000 0.000 0.978 94 T CB 1.496 70.369 68.868 0.009 0.000 0.997 94 T HN 1.731 nan 8.240 nan 0.000 0.443 95 V N 0.770 120.676 119.914 -0.013 0.000 3.040 95 V HA 0.776 4.895 4.120 -0.001 0.000 0.312 95 V C -0.578 175.513 176.094 -0.004 0.000 1.115 95 V CA -1.612 60.653 62.300 -0.059 0.000 0.998 95 V CB 2.114 33.828 31.823 -0.181 0.000 1.042 95 V HN 0.892 nan 8.190 nan 0.000 0.433 96 R N 2.439 122.928 120.500 -0.018 0.000 2.230 96 R HA 0.788 5.128 4.340 -0.001 0.000 0.337 96 R C -0.230 176.090 176.300 0.033 0.000 1.063 96 R CA 0.321 56.437 56.100 0.026 0.000 0.935 96 R CB 0.527 30.835 30.300 0.013 0.000 1.121 96 R HN 1.253 nan 8.270 nan 0.000 0.486 97 A N 3.941 126.830 122.820 0.115 0.000 2.354 97 A HA 0.441 4.761 4.320 -0.001 0.000 0.321 97 A C -0.759 176.957 177.584 0.221 0.000 1.125 97 A CA -1.078 51.058 52.037 0.165 0.000 0.799 97 A CB 0.954 20.136 19.000 0.304 0.000 1.293 97 A HN 0.783 nan 8.150 nan 0.000 0.452 98 N N 0.324 119.153 118.700 0.214 0.000 2.458 98 N HA 0.272 5.012 4.740 -0.001 0.000 0.258 98 N C -0.793 174.873 175.510 0.260 0.000 1.219 98 N CA 0.794 53.968 53.050 0.206 0.000 0.902 98 N CB 0.401 38.996 38.487 0.180 0.000 1.076 98 N HN 0.506 nan 8.380 nan 0.000 0.455 99 I N 0.554 121.225 120.570 0.169 0.000 2.533 99 I HA 0.343 4.513 4.170 -0.001 0.000 0.290 99 I C -0.308 175.854 176.117 0.075 0.000 1.056 99 I CA -1.089 60.223 61.300 0.020 0.000 1.057 99 I CB 1.985 39.958 38.000 -0.045 0.000 1.240 99 I HN 0.363 nan 8.210 nan 0.000 0.423 100 A N 4.849 127.666 122.820 -0.006 0.000 2.260 100 A HA 0.750 5.070 4.320 -0.001 0.000 0.312 100 A C 0.299 177.884 177.584 0.001 0.000 1.321 100 A CA -0.463 51.624 52.037 0.083 0.000 0.928 100 A CB 0.483 19.605 19.000 0.204 0.000 1.158 100 A HN 0.822 nan 8.150 nan 0.000 0.542 101 A N 4.115 127.006 122.820 0.119 0.000 2.410 101 A HA 0.485 4.805 4.320 -0.001 0.000 0.292 101 A C 0.188 177.819 177.584 0.078 0.000 1.232 101 A CA -0.199 51.909 52.037 0.117 0.000 0.893 101 A CB -0.547 18.517 19.000 0.105 0.000 1.131 101 A HN 0.764 nan 8.150 nan 0.000 0.530 102 I N 3.599 124.177 120.570 0.013 0.000 2.505 102 I HA 0.057 4.227 4.170 -0.001 0.000 0.287 102 I C 1.518 177.686 176.117 0.084 0.000 1.104 102 I CA 0.412 61.724 61.300 0.020 0.000 1.387 102 I CB 0.935 38.862 38.000 -0.121 0.000 1.404 102 I HN 0.837 nan 8.210 nan 0.000 0.528 103 T N 0.981 115.591 114.554 0.093 0.000 2.971 103 T HA 0.230 4.580 4.350 -0.001 0.000 0.252 103 T C 0.348 175.086 174.700 0.063 0.000 1.022 103 T CA -0.200 61.937 62.100 0.062 0.000 0.980 103 T CB 0.450 69.348 68.868 0.049 0.000 1.044 103 T HN 0.616 nan 8.240 nan 0.000 0.501 104 E N 0.873 121.117 120.200 0.073 0.000 2.335 104 E HA 0.525 4.875 4.350 -0.001 0.000 0.280 104 E C -1.598 175.023 176.600 0.033 0.000 0.918 104 E CA -0.595 55.842 56.400 0.061 0.000 0.765 104 E CB 2.033 31.758 29.700 0.042 0.000 1.218 104 E HN 0.378 nan 8.360 nan 0.000 0.425 105 S N 2.389 118.117 115.700 0.046 0.000 2.579 105 S HA 0.620 5.090 4.470 -0.001 0.000 0.272 105 S C -1.378 173.260 174.600 0.064 0.000 1.141 105 S CA -1.025 57.175 58.200 -0.002 0.000 0.843 105 S CB 1.974 65.106 63.200 -0.113 0.000 1.122 105 S HN 0.478 nan 8.310 nan 0.000 0.468 106 D N -0.094 120.353 120.400 0.079 0.000 2.787 106 D HA 0.480 5.120 4.640 -0.001 0.000 0.246 106 D C -0.779 175.629 176.300 0.180 0.000 1.150 106 D CA -0.505 53.571 54.000 0.127 0.000 0.864 106 D CB 1.153 42.012 40.800 0.098 0.000 1.481 106 D HN 0.696 nan 8.370 nan 0.000 0.509 107 K N 1.774 122.289 120.400 0.191 0.000 3.020 107 K HA -0.264 4.056 4.320 -0.001 0.000 0.266 107 K C 0.229 176.954 176.600 0.209 0.000 1.067 107 K CA 0.646 57.045 56.287 0.187 0.000 0.780 107 K CB -1.141 31.450 32.500 0.153 0.000 1.220 107 K HN 0.441 nan 8.250 nan 0.000 0.483 108 F N 0.261 120.215 119.950 0.007 0.000 2.289 108 F HA 0.247 4.773 4.527 -0.001 0.000 0.280 108 F C 0.671 176.446 175.800 -0.040 0.000 1.045 108 F CA 0.166 58.123 58.000 -0.072 0.000 1.236 108 F CB 0.287 39.126 39.000 -0.267 0.000 1.116 108 F HN -0.103 nan 8.300 nan 0.000 0.550 109 F N 1.762 121.709 119.950 -0.005 0.000 2.418 109 F HA 0.311 4.838 4.527 -0.001 0.000 0.341 109 F C 0.166 175.854 175.800 -0.186 0.000 1.120 109 F CA -0.699 57.123 58.000 -0.297 0.000 1.232 109 F CB 0.128 38.953 39.000 -0.292 0.000 1.175 109 F HN -0.243 nan 8.300 nan 0.000 0.569 110 I N 2.758 123.190 120.570 -0.229 0.000 2.339 110 I HA 0.158 4.327 4.170 -0.001 0.000 0.290 110 I C -0.058 175.836 176.117 -0.372 0.000 0.994 110 I CA -0.861 60.303 61.300 -0.227 0.000 1.191 110 I CB 1.072 38.943 38.000 -0.216 0.000 1.343 110 I HN 0.442 nan 8.210 nan 0.000 0.458 111 N N 4.628 122.965 118.700 -0.605 0.000 2.452 111 N HA 0.196 4.935 4.740 -0.001 0.000 0.266 111 N C 0.804 176.023 175.510 -0.485 0.000 1.209 111 N CA 1.554 54.008 53.050 -0.992 0.000 0.929 111 N CB 0.895 38.575 38.487 -1.344 0.000 1.063 111 N HN 0.886 nan 8.380 nan 0.000 0.472 112 G N 1.630 110.208 108.800 -0.370 0.000 2.313 112 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.215 112 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.215 112 G C 0.199 175.012 174.900 -0.145 0.000 1.023 112 G CA 0.323 45.298 45.100 -0.208 0.000 0.626 112 G HN 1.014 nan 8.290 nan 0.000 0.503 113 S N 0.096 115.652 115.700 -0.240 0.000 2.589 113 S HA 0.418 4.888 4.470 -0.001 0.000 0.265 113 S C 0.606 175.079 174.600 -0.212 0.000 1.342 113 S CA 0.602 58.639 58.200 -0.271 0.000 1.005 113 S CB 1.422 64.236 63.200 -0.644 0.000 0.909 113 S HN 0.596 nan 8.310 nan 0.000 0.555 114 N N 1.131 119.688 118.700 -0.238 0.000 2.401 114 N HA 0.158 4.897 4.740 -0.001 0.000 0.264 114 N C -0.822 174.348 175.510 -0.566 0.000 1.238 114 N CA -0.577 52.257 53.050 -0.360 0.000 0.889 114 N CB 0.320 38.578 38.487 -0.381 0.000 1.196 114 N HN 0.826 nan 8.380 nan 0.000 0.511 115 W N -0.054 121.012 121.300 -0.390 0.000 2.799 115 W HA 0.513 5.173 4.660 -0.001 0.000 0.349 115 W C -0.633 175.794 176.519 -0.153 0.000 1.100 115 W CA -0.690 56.441 57.345 -0.356 0.000 1.174 115 W CB 0.629 29.932 29.460 -0.261 0.000 1.427 115 W HN -0.113 nan 8.180 nan 0.000 0.547 116 E N 0.928 121.274 120.200 0.244 0.000 2.641 116 E HA 0.341 4.691 4.350 -0.001 0.000 0.224 116 E C 0.514 177.350 176.600 0.394 0.000 0.951 116 E CA 0.024 56.487 56.400 0.105 0.000 1.102 116 E CB 1.604 31.299 29.700 -0.008 0.000 1.091 116 E HN 0.626 nan 8.360 nan 0.000 0.507 117 G N 0.115 109.216 108.800 0.501 0.000 2.645 117 G HA2 0.641 4.601 3.960 -0.001 0.000 0.292 117 G HA3 0.641 4.601 3.960 -0.001 0.000 0.292 117 G C -1.754 173.266 174.900 0.201 0.000 1.415 117 G CA -0.700 44.615 45.100 0.359 0.000 0.785 117 G HN 0.055 nan 8.290 nan 0.000 0.483 118 I N -0.345 120.289 120.570 0.108 0.000 2.608 118 I HA 0.667 4.837 4.170 -0.001 0.000 0.295 118 I C -1.521 174.671 176.117 0.125 0.000 1.049 118 I CA -1.243 60.064 61.300 0.012 0.000 1.063 118 I CB 2.126 40.167 38.000 0.068 0.000 1.248 118 I HN 0.412 nan 8.210 nan 0.000 0.424 119 L N 7.701 128.931 121.223 0.012 0.000 2.337 119 L HA 0.616 4.955 4.340 -0.001 0.000 0.269 119 L C -0.026 176.807 176.870 -0.062 0.000 1.018 119 L CA -0.070 54.742 54.840 -0.046 0.000 0.876 119 L CB 0.982 42.862 42.059 -0.298 0.000 1.236 119 L HN 0.621 nan 8.230 nan 0.000 0.436 120 G N 4.879 113.703 108.800 0.041 0.000 2.360 120 G HA2 0.390 4.350 3.960 -0.001 0.000 0.279 120 G HA3 0.390 4.350 3.960 -0.001 0.000 0.279 120 G C 0.407 175.302 174.900 -0.008 0.000 1.189 120 G CA -0.341 44.779 45.100 0.033 0.000 0.941 120 G HN 0.732 nan 8.290 nan 0.000 0.445 121 L N 2.015 123.196 121.223 -0.070 0.000 2.664 121 L HA 0.277 4.617 4.340 -0.001 0.000 0.233 121 L C 1.965 178.797 176.870 -0.062 0.000 1.113 121 L CA -0.051 54.721 54.840 -0.112 0.000 0.896 121 L CB -0.020 41.803 42.059 -0.392 0.000 1.163 121 L HN 0.579 nan 8.230 nan 0.000 0.497 122 A N -0.589 122.165 122.820 -0.109 0.000 2.256 122 A HA 0.327 4.647 4.320 -0.001 0.000 0.276 122 A C -0.610 176.728 177.584 -0.409 0.000 1.259 122 A CA 0.110 51.871 52.037 -0.461 0.000 0.813 122 A CB -0.029 18.793 19.000 -0.297 0.000 1.200 122 A HN 0.082 nan 8.150 nan 0.000 0.506 123 Y N -2.324 117.856 120.300 -0.200 0.000 2.458 123 Y HA 0.467 5.017 4.550 -0.001 0.000 0.322 123 Y C 1.623 177.515 175.900 -0.012 0.000 1.259 123 Y CA 0.162 58.221 58.100 -0.069 0.000 1.302 123 Y CB 1.037 39.468 38.460 -0.049 0.000 1.314 123 Y HN 0.649 nan 8.280 nan 0.000 0.509 124 A N 0.086 123.044 122.820 0.230 0.000 1.978 124 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 124 A C 1.932 179.586 177.584 0.116 0.000 1.170 124 A CA 1.921 54.044 52.037 0.143 0.000 0.636 124 A CB -0.682 18.396 19.000 0.130 0.000 0.810 124 A HN 0.936 nan 8.150 nan 0.000 0.448 125 E N -0.227 120.057 120.200 0.140 0.000 2.209 125 E HA -0.174 4.176 4.350 -0.001 0.000 0.196 125 E C 1.351 178.027 176.600 0.128 0.000 0.993 125 E CA 1.412 57.891 56.400 0.132 0.000 0.819 125 E CB -0.195 29.607 29.700 0.171 0.000 0.745 125 E HN 0.876 nan 8.360 nan 0.000 0.477 126 I N -3.084 117.533 120.570 0.078 0.000 3.927 126 I HA 0.386 4.555 4.170 -0.001 0.000 0.332 126 I C 0.212 176.322 176.117 -0.011 0.000 1.485 126 I CA -0.614 60.682 61.300 -0.007 0.000 1.131 126 I CB 0.748 38.598 38.000 -0.250 0.000 1.092 126 I HN -0.182 nan 8.210 nan 0.000 0.410 127 A N 1.681 124.523 122.820 0.036 0.000 2.362 127 A HA 0.602 4.922 4.320 -0.001 0.000 0.276 127 A C 0.040 177.651 177.584 0.045 0.000 1.153 127 A CA -0.347 51.724 52.037 0.056 0.000 0.813 127 A CB 0.195 19.245 19.000 0.084 0.000 1.081 127 A HN 0.473 nan 8.150 nan 0.000 0.507 128 R N 3.506 124.026 120.500 0.032 0.000 2.441 128 R HA 0.352 4.692 4.340 -0.001 0.000 0.284 128 R C -1.644 174.670 176.300 0.024 0.000 1.070 128 R CA -1.415 54.681 56.100 -0.008 0.000 1.047 128 R CB 0.671 30.910 30.300 -0.103 0.000 1.016 128 R HN 0.548 nan 8.270 nan 0.000 0.477 129 P HA -0.037 nan 4.420 nan 0.000 0.224 129 P C -0.816 176.490 177.300 0.010 0.000 1.157 129 P CA 1.010 64.106 63.100 -0.006 0.000 0.799 129 P CB 0.278 31.978 31.700 0.000 0.000 0.809 130 D N -2.141 118.276 120.400 0.028 0.000 2.692 130 D HA 0.053 4.693 4.640 -0.001 0.000 0.290 130 D C -0.175 176.153 176.300 0.047 0.000 1.281 130 D CA -0.617 53.404 54.000 0.034 0.000 0.804 130 D CB -0.358 40.458 40.800 0.027 0.000 1.331 130 D HN -0.278 nan 8.370 nan 0.000 0.432 131 D N -0.704 119.726 120.400 0.049 0.000 2.384 131 D HA -0.148 4.492 4.640 -0.001 0.000 0.222 131 D C 1.476 177.809 176.300 0.055 0.000 0.976 131 D CA 1.227 55.262 54.000 0.059 0.000 0.915 131 D CB -0.291 40.543 40.800 0.057 0.000 0.896 131 D HN 0.307 nan 8.370 nan 0.000 0.523 132 S N -0.267 115.461 115.700 0.047 0.000 2.399 132 S HA -0.147 4.323 4.470 -0.001 0.000 0.231 132 S C 0.967 175.600 174.600 0.055 0.000 1.022 132 S CA -0.124 58.102 58.200 0.044 0.000 0.983 132 S CB -0.622 62.600 63.200 0.036 0.000 0.803 132 S HN 0.293 nan 8.310 nan 0.000 0.480 133 L N 3.492 124.754 121.223 0.065 0.000 2.454 133 L HA 0.310 4.650 4.340 -0.001 0.000 0.284 133 L C 0.208 177.135 176.870 0.094 0.000 1.139 133 L CA -0.241 54.648 54.840 0.082 0.000 0.911 133 L CB -0.140 41.975 42.059 0.094 0.000 1.262 133 L HN 0.398 nan 8.230 nan 0.000 0.453 134 E N 6.839 127.090 120.200 0.086 0.000 2.351 134 E HA 0.154 4.503 4.350 -0.001 0.000 0.266 134 E C -2.248 174.419 176.600 0.113 0.000 1.031 134 E CA -1.418 55.034 56.400 0.087 0.000 0.911 134 E CB 0.506 30.241 29.700 0.059 0.000 0.986 134 E HN 0.415 nan 8.360 nan 0.000 0.446 135 P HA -0.063 nan 4.420 nan 0.000 0.270 135 P C -0.127 177.270 177.300 0.162 0.000 1.227 135 P CA -0.206 62.992 63.100 0.164 0.000 0.788 135 P CB 0.339 32.127 31.700 0.147 0.000 0.926 136 F N 1.066 121.044 119.950 0.047 0.000 2.095 136 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 136 F C 2.026 177.803 175.800 -0.039 0.000 1.104 136 F CA 1.465 59.441 58.000 -0.041 0.000 1.232 136 F CB -0.689 38.176 39.000 -0.225 0.000 0.987 136 F HN 0.180 nan 8.300 nan 0.000 0.475 137 F N 1.420 121.360 119.950 -0.016 0.000 2.171 137 F HA -0.157 4.370 4.527 -0.001 0.000 0.300 137 F C 1.983 177.715 175.800 -0.112 0.000 1.090 137 F CA 2.017 59.959 58.000 -0.097 0.000 1.293 137 F CB -0.621 38.398 39.000 0.032 0.000 1.013 137 F HN -0.001 nan 8.300 nan 0.000 0.486 138 D N -0.696 119.767 120.400 0.105 0.000 2.123 138 D HA -0.184 4.456 4.640 -0.001 0.000 0.196 138 D C 2.393 178.631 176.300 -0.102 0.000 0.992 138 D CA 1.766 55.799 54.000 0.055 0.000 0.833 138 D CB -0.455 40.405 40.800 0.101 0.000 0.954 138 D HN 0.159 nan 8.370 nan 0.000 0.455 139 S N 0.139 115.726 115.700 -0.188 0.000 2.382 139 S HA -0.129 4.341 4.470 -0.001 0.000 0.228 139 S C 1.783 176.151 174.600 -0.387 0.000 1.027 139 S CA 0.431 58.478 58.200 -0.256 0.000 0.991 139 S CB -0.286 62.760 63.200 -0.256 0.000 0.823 139 S HN 0.181 nan 8.310 nan 0.000 0.469 140 L N 1.727 122.566 121.223 -0.640 0.000 2.056 140 L HA 0.025 4.365 4.340 -0.001 0.000 0.207 140 L C 2.151 178.753 176.870 -0.447 0.000 1.078 140 L CA 1.542 55.977 54.840 -0.675 0.000 0.749 140 L CB -0.560 40.900 42.059 -0.998 0.000 0.901 140 L HN 0.129 nan 8.230 nan 0.000 0.433 141 V N -0.493 119.174 119.914 -0.411 0.000 2.407 141 V HA -0.208 3.912 4.120 -0.001 0.000 0.245 141 V C 2.556 178.583 176.094 -0.111 0.000 1.041 141 V CA 1.733 63.908 62.300 -0.208 0.000 1.040 141 V CB -0.548 31.221 31.823 -0.089 0.000 0.671 141 V HN 0.464 nan 8.190 nan 0.000 0.455 142 K N -0.182 120.152 120.400 -0.110 0.000 2.209 142 K HA -0.176 4.144 4.320 -0.001 0.000 0.204 142 K C 1.957 178.506 176.600 -0.084 0.000 1.048 142 K CA 1.457 57.704 56.287 -0.066 0.000 0.940 142 K CB 0.026 32.494 32.500 -0.055 0.000 0.729 142 K HN 0.523 nan 8.250 nan 0.000 0.451 143 Q N -0.430 119.290 119.800 -0.133 0.000 2.247 143 Q HA 0.057 4.397 4.340 -0.001 0.000 0.211 143 Q C -0.137 175.760 176.000 -0.172 0.000 0.861 143 Q CA 0.299 56.020 55.803 -0.137 0.000 0.949 143 Q CB 1.505 30.155 28.738 -0.146 0.000 1.115 143 Q HN 0.317 nan 8.270 nan 0.000 0.507 144 T N -3.911 110.535 114.554 -0.180 0.000 2.716 144 T HA 0.276 4.626 4.350 -0.001 0.000 0.286 144 T C 0.177 174.783 174.700 -0.156 0.000 1.052 144 T CA -0.769 61.199 62.100 -0.219 0.000 1.024 144 T CB 0.990 69.760 68.868 -0.162 0.000 1.349 144 T HN -0.028 nan 8.240 nan 0.000 0.525 145 H N -0.588 118.467 119.070 -0.026 0.000 2.526 145 H HA 0.360 4.916 4.556 -0.001 0.000 0.274 145 H C 0.476 175.810 175.328 0.010 0.000 0.999 145 H CA -0.356 55.689 56.048 -0.004 0.000 1.157 145 H CB -0.343 29.423 29.762 0.006 0.000 1.407 145 H HN 0.288 nan 8.280 nan 0.000 0.568 146 V N 4.586 124.546 119.914 0.076 0.000 2.475 146 V HA -0.027 4.093 4.120 -0.001 0.000 0.292 146 V C -1.767 174.378 176.094 0.086 0.000 1.003 146 V CA -0.824 61.514 62.300 0.063 0.000 1.120 146 V CB 0.418 32.216 31.823 -0.041 0.000 0.937 146 V HN 0.153 nan 8.190 nan 0.000 0.476 147 P HA 0.065 nan 4.420 nan 0.000 0.269 147 P C -0.110 177.332 177.300 0.236 0.000 1.209 147 P CA -0.334 62.865 63.100 0.166 0.000 0.776 147 P CB 0.341 32.144 31.700 0.171 0.000 0.876 148 N N 2.729 121.572 118.700 0.238 0.000 2.971 148 N HA 0.208 4.947 4.740 -0.001 0.000 0.294 148 N C -0.812 174.892 175.510 0.322 0.000 1.210 148 N CA 0.071 53.337 53.050 0.359 0.000 1.157 148 N CB -1.285 37.361 38.487 0.266 0.000 1.450 148 N HN 0.370 nan 8.380 nan 0.000 0.527 149 L N -0.283 121.163 121.223 0.372 0.000 2.672 149 L HA 0.673 5.013 4.340 -0.001 0.000 0.256 149 L C -1.798 175.178 176.870 0.177 0.000 0.946 149 L CA -1.100 53.818 54.840 0.131 0.000 0.889 149 L CB 1.063 43.152 42.059 0.049 0.000 1.441 149 L HN 0.029 nan 8.230 nan 0.000 0.418 150 F N 0.528 120.403 119.950 -0.125 0.000 2.626 150 F HA 0.956 5.482 4.527 -0.000 0.000 0.311 150 F C -0.844 174.875 175.800 -0.134 0.000 1.088 150 F CA -0.395 57.516 58.000 -0.148 0.000 0.949 150 F CB 1.709 40.543 39.000 -0.277 0.000 1.322 150 F HN 0.661 nan 8.300 nan 0.000 0.461 151 S N 1.975 117.666 115.700 -0.015 0.000 2.542 151 S HA 0.851 5.321 4.470 -0.001 0.000 0.293 151 S C -1.431 173.162 174.600 -0.012 0.000 1.089 151 S CA -0.848 57.235 58.200 -0.195 0.000 0.961 151 S CB 1.973 64.882 63.200 -0.484 0.000 1.062 151 S HN 0.835 nan 8.310 nan 0.000 0.483 152 L N 1.748 122.933 121.223 -0.064 0.000 2.376 152 L HA 0.523 4.863 4.340 -0.001 0.000 0.275 152 L C -0.419 176.489 176.870 0.062 0.000 0.987 152 L CA -0.325 54.528 54.840 0.023 0.000 0.828 152 L CB 1.996 44.078 42.059 0.039 0.000 1.249 152 L HN 0.755 nan 8.230 nan 0.000 0.409 153 Q N 5.017 124.899 119.800 0.136 0.000 2.425 153 Q HA 0.470 4.810 4.340 -0.001 0.000 0.254 153 Q C -1.457 174.499 176.000 -0.074 0.000 1.032 153 Q CA -0.572 55.306 55.803 0.124 0.000 0.798 153 Q CB 1.084 29.913 28.738 0.152 0.000 1.210 153 Q HN 0.604 nan 8.270 nan 0.000 0.491 154 L N 3.660 124.776 121.223 -0.178 0.000 2.265 154 L HA 0.359 4.699 4.340 -0.001 0.000 0.288 154 L C 0.270 177.086 176.870 -0.091 0.000 1.058 154 L CA -0.738 53.860 54.840 -0.403 0.000 0.809 154 L CB 0.781 42.441 42.059 -0.666 0.000 1.179 154 L HN 0.776 nan 8.230 nan 0.000 0.429 155 c N 0.950 119.573 118.600 0.039 0.000 3.120 155 c HA 0.684 5.254 4.570 -0.001 0.000 0.097 155 c C 1.261 175.448 174.090 0.162 0.000 2.320 155 c CA 0.361 56.744 56.329 0.090 0.000 1.403 155 c CB -0.078 42.469 42.510 0.062 0.000 2.276 155 c HN 1.057 nan 8.230 nan 0.000 0.375 156 G N -0.070 108.812 108.800 0.137 0.000 2.330 156 G HA2 0.500 4.460 3.960 -0.001 0.000 0.125 156 G HA3 0.500 4.460 3.960 -0.001 0.000 0.125 156 G C 0.083 175.002 174.900 0.032 0.000 1.060 156 G CA 0.154 45.307 45.100 0.088 0.000 0.743 156 G HN 2.261 nan 8.290 nan 0.000 0.480 169 S N 0.194 115.873 115.700 -0.034 0.000 2.465 169 S HA 0.516 4.986 4.470 -0.001 0.000 0.279 169 S C 0.163 174.726 174.600 -0.061 0.000 1.201 169 S CA 0.147 58.320 58.200 -0.045 0.000 1.053 169 S CB -0.202 62.981 63.200 -0.029 0.000 0.953 169 S HN 1.858 nan 8.310 nan 0.000 0.488 170 V N 3.044 122.891 119.914 -0.111 0.000 3.134 170 V HA 1.048 5.168 4.120 -0.001 0.000 0.313 170 V C 0.582 176.641 176.094 -0.060 0.000 1.069 170 V CA -0.332 61.909 62.300 -0.099 0.000 1.048 170 V CB 1.087 32.761 31.823 -0.247 0.000 1.119 170 V HN 0.853 nan 8.190 nan 0.000 0.461 171 G N -0.659 108.188 108.800 0.078 0.000 2.690 171 G HA2 0.879 4.838 3.960 -0.001 0.000 0.291 171 G HA3 0.879 4.838 3.960 -0.001 0.000 0.291 171 G C -0.553 174.454 174.900 0.178 0.000 1.403 171 G CA -0.287 44.864 45.100 0.085 0.000 0.864 171 G HN 1.585 nan 8.290 nan 0.000 0.480 172 G N -1.230 107.619 108.800 0.082 0.000 2.489 172 G HA2 0.619 4.579 3.960 -0.001 0.000 0.305 172 G HA3 0.619 4.579 3.960 -0.001 0.000 0.305 172 G C -1.389 173.504 174.900 -0.011 0.000 1.311 172 G CA -0.156 44.946 45.100 0.005 0.000 0.813 172 G HN 1.189 nan 8.290 nan 0.000 0.480 173 S N -0.219 115.471 115.700 -0.017 0.000 2.571 173 S HA 0.599 5.069 4.470 -0.001 0.000 0.284 173 S C -0.566 174.045 174.600 0.019 0.000 1.128 173 S CA -0.487 57.718 58.200 0.009 0.000 0.970 173 S CB 1.633 64.849 63.200 0.025 0.000 1.039 173 S HN 0.780 nan 8.310 nan 0.000 0.485 174 M N 4.855 124.461 119.600 0.010 0.000 2.036 174 M HA 0.463 4.943 4.480 -0.001 0.000 0.337 174 M C -1.623 174.694 176.300 0.027 0.000 1.012 174 M CA -0.710 54.597 55.300 0.011 0.000 0.962 174 M CB 0.106 32.678 32.600 -0.047 0.000 1.423 174 M HN 0.435 nan 8.290 nan 0.000 0.405 175 I N 6.631 127.215 120.570 0.023 0.000 2.308 175 I HA 0.207 4.377 4.170 -0.001 0.000 0.293 175 I C -0.057 176.033 176.117 -0.045 0.000 1.078 175 I CA -0.500 60.750 61.300 -0.084 0.000 1.292 175 I CB -0.133 37.727 38.000 -0.233 0.000 1.423 175 I HN 0.584 nan 8.210 nan 0.000 0.493 176 I N 5.603 126.196 120.570 0.038 0.000 2.379 176 I HA 0.312 4.482 4.170 -0.001 0.000 0.290 176 I C 1.309 177.517 176.117 0.153 0.000 1.063 176 I CA 0.084 61.495 61.300 0.186 0.000 1.351 176 I CB 0.164 38.286 38.000 0.203 0.000 1.410 176 I HN 0.877 nan 8.210 nan 0.000 0.505 177 G N 4.185 113.115 108.800 0.217 0.000 2.159 177 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.227 177 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.227 177 G C 0.343 175.330 174.900 0.145 0.000 0.986 177 G CA -0.088 45.149 45.100 0.228 0.000 0.651 177 G HN 1.208 nan 8.290 nan 0.000 0.523 178 G N -1.164 107.554 108.800 -0.137 0.000 2.435 178 G HA2 0.602 4.562 3.960 -0.001 0.000 0.296 178 G HA3 0.602 4.562 3.960 -0.001 0.000 0.296 178 G C -1.718 172.983 174.900 -0.332 0.000 1.240 178 G CA -0.265 44.713 45.100 -0.204 0.000 0.872 178 G HN 0.804 nan 8.290 nan 0.000 0.480 179 I N 0.939 121.369 120.570 -0.233 0.000 2.534 179 I HA 0.324 4.494 4.170 -0.001 0.000 0.288 179 I C -1.587 174.460 176.117 -0.117 0.000 1.077 179 I CA -0.640 60.612 61.300 -0.079 0.000 1.051 179 I CB 2.391 40.372 38.000 -0.031 0.000 1.234 179 I HN 0.381 nan 8.210 nan 0.000 0.425 180 D N 5.386 125.780 120.400 -0.011 0.000 2.373 180 D HA 0.199 4.839 4.640 -0.001 0.000 0.227 180 D C 0.942 177.185 176.300 -0.096 0.000 1.091 180 D CA -0.161 53.817 54.000 -0.037 0.000 0.840 180 D CB 0.838 41.638 40.800 -0.000 0.000 1.060 180 D HN 0.462 nan 8.370 nan 0.000 0.502 181 H N 1.772 120.908 119.070 0.109 0.000 2.521 181 H HA -0.095 4.461 4.556 -0.001 0.000 0.286 181 H C 1.890 177.034 175.328 -0.308 0.000 1.034 181 H CA 1.149 57.156 56.048 -0.068 0.000 1.278 181 H CB 0.134 29.869 29.762 -0.045 0.000 1.386 181 H HN 0.433 nan 8.280 nan 0.000 0.567 182 S N 0.591 116.243 115.700 -0.080 0.000 2.447 182 S HA -0.043 4.427 4.470 -0.001 0.000 0.233 182 S C 2.004 176.495 174.600 -0.181 0.000 1.006 182 S CA 0.362 58.492 58.200 -0.118 0.000 0.957 182 S CB -0.539 62.629 63.200 -0.053 0.000 0.773 182 S HN 0.292 nan 8.310 nan 0.000 0.507 183 L N 0.417 121.478 121.223 -0.270 0.000 2.554 183 L HA 0.255 4.595 4.340 -0.001 0.000 0.226 183 L C 0.368 177.099 176.870 -0.232 0.000 1.137 183 L CA 0.008 54.638 54.840 -0.351 0.000 0.863 183 L CB -0.317 41.321 42.059 -0.702 0.000 0.985 183 L HN 0.629 nan 8.230 nan 0.000 0.451 184 Y N -2.720 117.429 120.300 -0.253 0.000 2.571 184 Y HA 0.598 5.148 4.550 -0.001 0.000 0.341 184 Y C -0.259 175.648 175.900 0.012 0.000 1.076 184 Y CA -1.477 56.582 58.100 -0.068 0.000 1.029 184 Y CB 0.766 39.247 38.460 0.035 0.000 1.308 184 Y HN -0.100 nan 8.280 nan 0.000 0.461 185 T N -0.243 114.352 114.554 0.069 0.000 2.952 185 T HA 0.769 5.118 4.350 -0.001 0.000 0.286 185 T C 0.691 175.487 174.700 0.161 0.000 1.024 185 T CA -0.130 61.976 62.100 0.011 0.000 1.029 185 T CB 1.011 69.900 68.868 0.035 0.000 1.094 185 T HN 2.135 nan 8.240 nan 0.000 0.515 186 G N 0.997 109.857 108.800 0.100 0.000 2.578 186 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.275 186 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.275 186 G C 0.037 175.092 174.900 0.260 0.000 1.271 186 G CA 0.008 45.203 45.100 0.158 0.000 0.941 186 G HN 1.344 nan 8.290 nan 0.000 0.564 187 S N -1.220 114.633 115.700 0.255 0.000 2.549 187 S HA 0.680 5.149 4.470 -0.001 0.000 0.297 187 S C 0.388 175.051 174.600 0.105 0.000 1.115 187 S CA -0.644 57.663 58.200 0.178 0.000 1.059 187 S CB 0.855 64.059 63.200 0.008 0.000 1.046 187 S HN 0.727 nan 8.310 nan 0.000 0.506 188 L N 3.602 124.756 121.223 -0.115 0.000 2.410 188 L HA 0.291 4.630 4.340 -0.001 0.000 0.273 188 L C -0.885 175.636 176.870 -0.582 0.000 1.152 188 L CA -0.093 54.503 54.840 -0.407 0.000 0.855 188 L CB 0.370 42.050 42.059 -0.633 0.000 1.129 188 L HN 0.662 nan 8.230 nan 0.000 0.463 189 W N 2.622 123.514 121.300 -0.679 0.000 2.627 189 W HA 0.479 5.139 4.660 -0.001 0.000 0.339 189 W C -0.750 175.112 176.519 -1.095 0.000 1.058 189 W CA -0.298 56.468 57.345 -0.966 0.000 1.223 189 W CB 1.003 29.545 29.460 -1.530 0.000 1.389 189 W HN 0.168 nan 8.180 nan 0.000 0.541 190 Y N 1.114 121.180 120.300 -0.391 0.000 2.364 190 Y HA 0.507 5.057 4.550 -0.001 0.000 0.340 190 Y C 0.484 176.502 175.900 0.197 0.000 0.975 190 Y CA -0.894 57.160 58.100 -0.076 0.000 1.089 190 Y CB 2.147 40.559 38.460 -0.080 0.000 1.192 190 Y HN 0.160 nan 8.280 nan 0.000 0.454 191 T N 4.921 119.772 114.554 0.495 0.000 2.855 191 T HA 0.499 4.849 4.350 -0.001 0.000 0.281 191 T C -2.803 172.070 174.700 0.289 0.000 1.007 191 T CA -2.588 59.779 62.100 0.444 0.000 1.009 191 T CB 0.988 70.079 68.868 0.372 0.000 0.983 191 T HN 0.242 nan 8.240 nan 0.000 0.455 192 P HA 0.268 nan 4.420 nan 0.000 0.271 192 P C -0.499 176.913 177.300 0.187 0.000 1.216 192 P CA -0.181 63.023 63.100 0.174 0.000 0.776 192 P CB 0.256 32.040 31.700 0.140 0.000 0.881 193 I N 3.620 124.305 120.570 0.191 0.000 2.406 193 I HA 0.105 4.275 4.170 -0.001 0.000 0.293 193 I C 1.995 178.227 176.117 0.191 0.000 1.101 193 I CA 0.057 61.499 61.300 0.236 0.000 1.334 193 I CB 0.303 38.477 38.000 0.290 0.000 1.421 193 I HN 0.429 nan 8.210 nan 0.000 0.513 194 R N 5.731 126.356 120.500 0.208 0.000 2.081 194 R HA 0.020 4.359 4.340 -0.001 0.000 0.235 194 R C 0.854 177.243 176.300 0.148 0.000 1.131 194 R CA 1.265 57.468 56.100 0.172 0.000 0.960 194 R CB 0.305 30.721 30.300 0.195 0.000 0.856 194 R HN 0.575 nan 8.270 nan 0.000 0.436 195 R N -0.037 120.595 120.500 0.221 0.000 2.668 195 R HA 0.119 4.459 4.340 -0.001 0.000 0.272 195 R C -1.389 175.032 176.300 0.202 0.000 1.019 195 R CA -0.495 55.682 56.100 0.127 0.000 0.894 195 R CB 1.682 31.960 30.300 -0.036 0.000 1.228 195 R HN 0.042 nan 8.270 nan 0.000 0.460 196 E N 4.096 124.244 120.200 -0.085 0.000 1.972 196 E HA 0.043 4.393 4.350 -0.001 0.000 0.292 196 E C -0.125 176.453 176.600 -0.037 0.000 1.193 196 E CA -0.012 56.077 56.400 -0.518 0.000 1.228 196 E CB 0.174 29.238 29.700 -1.060 0.000 1.167 196 E HN 0.414 nan 8.360 nan 0.000 0.479 197 W N 1.029 122.343 121.300 0.024 0.000 4.478 197 W HA 0.211 4.871 4.660 -0.001 0.000 0.172 197 W C -0.017 176.555 176.519 0.088 0.000 3.403 197 W CA -0.343 57.054 57.345 0.087 0.000 1.298 197 W CB -0.891 28.618 29.460 0.082 0.000 2.082 197 W HN 0.002 nan 8.180 nan 0.000 0.376 198 Y N 0.548 120.614 120.300 -0.390 0.000 2.220 198 Y HA 0.150 4.700 4.550 -0.001 0.000 0.347 198 Y C -0.026 175.823 175.900 -0.085 0.000 1.311 198 Y CA -0.060 57.831 58.100 -0.350 0.000 1.593 198 Y CB -0.093 38.020 38.460 -0.577 0.000 1.419 198 Y HN -0.140 nan 8.280 nan 0.000 0.614 199 Y N 0.970 121.452 120.300 0.304 0.000 2.632 199 Y HA 0.116 4.665 4.550 -0.001 0.000 0.336 199 Y C 0.404 176.455 175.900 0.251 0.000 1.237 199 Y CA -0.407 57.891 58.100 0.330 0.000 1.595 199 Y CB -0.465 38.193 38.460 0.329 0.000 1.508 199 Y HN 0.402 nan 8.280 nan 0.000 0.480 200 E N 2.335 122.761 120.200 0.377 0.000 2.301 200 E HA 0.531 4.880 4.350 -0.001 0.000 0.275 200 E C -0.813 175.954 176.600 0.278 0.000 1.030 200 E CA -0.487 56.097 56.400 0.306 0.000 0.852 200 E CB 1.091 31.058 29.700 0.444 0.000 1.060 200 E HN 0.405 nan 8.360 nan 0.000 0.401 201 V N 1.045 121.084 119.914 0.207 0.000 3.181 201 V HA 0.594 4.713 4.120 -0.001 0.000 0.308 201 V C -0.775 175.394 176.094 0.125 0.000 1.214 201 V CA -0.978 61.422 62.300 0.167 0.000 1.053 201 V CB 1.743 33.654 31.823 0.145 0.000 1.069 201 V HN 0.587 nan 8.190 nan 0.000 0.441 202 I N 2.208 122.835 120.570 0.095 0.000 2.382 202 I HA 0.466 4.635 4.170 -0.001 0.000 0.285 202 I C -0.599 175.535 176.117 0.029 0.000 1.007 202 I CA -0.480 60.869 61.300 0.082 0.000 1.142 202 I CB 1.624 39.682 38.000 0.097 0.000 1.289 202 I HN 0.534 nan 8.210 nan 0.000 0.453 203 I N 6.695 127.281 120.570 0.026 0.000 2.556 203 I HA -0.005 4.165 4.170 -0.001 0.000 0.284 203 I C 1.263 177.425 176.117 0.074 0.000 1.114 203 I CA 0.163 61.450 61.300 -0.020 0.000 1.418 203 I CB 1.095 39.060 38.000 -0.057 0.000 1.394 203 I HN 0.505 nan 8.210 nan 0.000 0.552 204 V N 3.163 123.093 119.914 0.026 0.000 3.605 204 V HA 0.444 4.564 4.120 -0.001 0.000 0.284 204 V C 0.485 176.612 176.094 0.055 0.000 1.386 204 V CA 0.018 62.357 62.300 0.065 0.000 1.053 204 V CB -0.256 31.576 31.823 0.016 0.000 0.857 204 V HN 0.871 nan 8.190 nan 0.000 0.436 205 R N -0.345 120.131 120.500 -0.040 0.000 2.725 205 R HA 0.601 4.941 4.340 -0.001 0.000 0.254 205 R C -2.492 173.634 176.300 -0.290 0.000 1.076 205 R CA -0.313 55.688 56.100 -0.166 0.000 0.940 205 R CB 2.336 32.338 30.300 -0.497 0.000 1.260 205 R HN 0.071 nan 8.270 nan 0.000 0.466 206 V N 2.840 122.525 119.914 -0.382 0.000 2.577 206 V HA 0.490 4.610 4.120 -0.001 0.000 0.303 206 V C -0.623 175.372 176.094 -0.164 0.000 1.042 206 V CA -0.782 61.292 62.300 -0.376 0.000 0.872 206 V CB 1.857 33.242 31.823 -0.731 0.000 0.998 206 V HN 0.769 nan 8.190 nan 0.000 0.423 207 E N 3.586 123.740 120.200 -0.076 0.000 2.299 207 E HA 0.717 5.067 4.350 -0.001 0.000 0.265 207 E C -1.420 175.160 176.600 -0.032 0.000 0.911 207 E CA -0.899 55.481 56.400 -0.033 0.000 0.789 207 E CB 3.203 32.917 29.700 0.023 0.000 1.246 207 E HN 0.542 nan 8.360 nan 0.000 0.427 208 I N 2.140 122.704 120.570 -0.010 0.000 2.439 208 I HA 0.184 4.353 4.170 -0.001 0.000 0.283 208 I C 0.464 176.604 176.117 0.038 0.000 1.023 208 I CA 0.172 61.480 61.300 0.013 0.000 1.100 208 I CB 0.648 38.654 38.000 0.009 0.000 1.238 208 I HN 0.716 nan 8.210 nan 0.000 0.445 209 N N 4.048 122.784 118.700 0.059 0.000 2.955 209 N HA -0.245 4.494 4.740 -0.001 0.000 0.230 209 N C 0.999 176.537 175.510 0.047 0.000 0.891 209 N CA 0.927 54.018 53.050 0.068 0.000 1.002 209 N CB -0.288 38.245 38.487 0.077 0.000 1.063 209 N HN 1.030 nan 8.380 nan 0.000 0.601 210 G N -1.006 107.813 108.800 0.031 0.000 2.905 210 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.196 210 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.196 210 G C -0.582 174.324 174.900 0.011 0.000 1.044 210 G CA -0.064 45.051 45.100 0.025 0.000 0.778 210 G HN 0.288 nan 8.290 nan 0.000 0.474 211 Q N 2.343 122.147 119.800 0.008 0.000 2.296 211 Q HA 0.367 4.707 4.340 -0.001 0.000 0.262 211 Q C -0.263 175.728 176.000 -0.016 0.000 0.981 211 Q CA -0.008 55.792 55.803 -0.004 0.000 0.905 211 Q CB 1.735 30.472 28.738 -0.001 0.000 1.186 211 Q HN 0.704 nan 8.270 nan 0.000 0.399 212 D N 2.023 122.403 120.400 -0.032 0.000 2.414 212 D HA -0.001 4.638 4.640 -0.001 0.000 0.251 212 D C 0.307 176.599 176.300 -0.013 0.000 1.252 212 D CA -0.443 53.531 54.000 -0.044 0.000 0.999 212 D CB 1.011 41.756 40.800 -0.091 0.000 1.093 212 D HN 0.299 nan 8.370 nan 0.000 0.515 213 L N -0.534 120.703 121.223 0.023 0.000 2.640 213 L HA 0.147 4.487 4.340 -0.001 0.000 0.230 213 L C 1.192 178.101 176.870 0.066 0.000 1.123 213 L CA 0.144 55.024 54.840 0.067 0.000 0.900 213 L CB -0.688 41.463 42.059 0.153 0.000 1.146 213 L HN 0.506 nan 8.230 nan 0.000 0.484 214 K N 0.114 120.539 120.400 0.041 0.000 2.948 214 K HA -0.254 4.066 4.320 -0.001 0.000 0.253 214 K C 0.361 176.952 176.600 -0.016 0.000 0.970 214 K CA 0.892 57.180 56.287 0.001 0.000 0.716 214 K CB -1.166 31.325 32.500 -0.016 0.000 1.249 214 K HN 0.372 nan 8.250 nan 0.000 0.483 215 M N 0.955 120.550 119.600 -0.009 0.000 2.336 215 M HA 0.152 4.632 4.480 -0.001 0.000 0.342 215 M C -0.274 175.848 176.300 -0.297 0.000 1.128 215 M CA -0.573 54.648 55.300 -0.130 0.000 1.016 215 M CB 1.286 33.825 32.600 -0.102 0.000 1.665 215 M HN 0.021 nan 8.290 nan 0.000 0.445 216 D N 4.320 124.570 120.400 -0.250 0.000 2.536 216 D HA -0.077 4.562 4.640 -0.001 0.000 0.260 216 D C 1.404 177.458 176.300 -0.411 0.000 1.270 216 D CA 0.065 53.919 54.000 -0.242 0.000 0.934 216 D CB 0.413 41.109 40.800 -0.173 0.000 1.129 216 D HN 0.788 nan 8.370 nan 0.000 0.533 217 c N 3.381 121.765 118.600 -0.360 0.000 2.393 217 c HA -0.140 4.429 4.570 -0.001 0.000 0.292 217 c C 2.218 176.163 174.090 -0.242 0.000 1.347 217 c CA 0.415 56.514 56.329 -0.384 0.000 1.810 217 c CB -0.941 41.578 42.510 0.016 0.000 1.899 217 c HN 0.693 nan 8.230 nan 0.000 0.532 218 K N 0.789 121.086 120.400 -0.172 0.000 2.147 218 K HA -0.106 4.214 4.320 -0.001 0.000 0.205 218 K C 2.203 178.782 176.600 -0.035 0.000 1.049 218 K CA 1.559 57.814 56.287 -0.053 0.000 0.936 218 K CB -0.082 32.389 32.500 -0.049 0.000 0.722 218 K HN 0.536 nan 8.250 nan 0.000 0.446 219 E N -0.207 119.893 120.200 -0.165 0.000 2.204 219 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 219 E C 1.768 178.398 176.600 0.049 0.000 0.989 219 E CA 1.180 57.541 56.400 -0.065 0.000 0.824 219 E CB -0.278 29.341 29.700 -0.136 0.000 0.756 219 E HN 0.567 nan 8.360 nan 0.000 0.477 220 Y N 1.097 121.438 120.300 0.068 0.000 2.333 220 Y HA -0.065 4.484 4.550 -0.001 0.000 0.290 220 Y C 1.306 177.242 175.900 0.059 0.000 1.144 220 Y CA 0.460 58.589 58.100 0.048 0.000 1.228 220 Y CB 0.094 38.561 38.460 0.012 0.000 0.985 220 Y HN 0.015 nan 8.280 nan 0.000 0.542 221 N N -0.785 118.047 118.700 0.219 0.000 2.467 221 N HA 0.005 4.745 4.740 -0.001 0.000 0.278 221 N C -1.322 174.303 175.510 0.191 0.000 1.306 221 N CA -0.064 53.092 53.050 0.176 0.000 0.905 221 N CB 0.263 38.852 38.487 0.171 0.000 1.236 221 N HN 0.183 nan 8.380 nan 0.000 0.509 222 Y N 2.819 123.122 120.300 0.005 0.000 2.417 222 Y HA 0.189 4.739 4.550 -0.000 0.000 0.336 222 Y C 0.613 176.423 175.900 -0.149 0.000 0.961 222 Y CA -1.608 56.430 58.100 -0.103 0.000 1.215 222 Y CB 0.511 38.941 38.460 -0.050 0.000 1.120 222 Y HN 0.050 nan 8.280 nan 0.000 0.499 223 D N 3.624 123.712 120.400 -0.521 0.000 2.340 223 D HA 0.134 4.774 4.640 -0.001 0.000 0.217 223 D C -0.307 175.928 176.300 -0.108 0.000 1.081 223 D CA 0.109 53.839 54.000 -0.450 0.000 0.842 223 D CB 0.497 40.866 40.800 -0.717 0.000 0.934 223 D HN 0.387 nan 8.370 nan 0.000 0.511 224 K N -0.561 119.806 120.400 -0.055 0.000 2.568 224 K HA 0.397 4.717 4.320 -0.001 0.000 0.273 224 K C -1.608 174.988 176.600 -0.007 0.000 0.951 224 K CA -0.602 55.692 56.287 0.012 0.000 0.854 224 K CB 2.439 34.858 32.500 -0.135 0.000 1.424 224 K HN -0.211 nan 8.250 nan 0.000 0.427 225 S N 2.464 118.186 115.700 0.037 0.000 2.519 225 S HA 0.602 5.072 4.470 -0.001 0.000 0.309 225 S C -0.610 174.000 174.600 0.016 0.000 1.100 225 S CA -0.822 57.389 58.200 0.018 0.000 1.059 225 S CB 0.711 63.941 63.200 0.050 0.000 1.008 225 S HN 0.540 nan 8.310 nan 0.000 0.478 226 I N -0.452 120.107 120.570 -0.017 0.000 3.108 226 I HA 0.829 4.999 4.170 -0.001 0.000 0.312 226 I C -1.363 174.815 176.117 0.103 0.000 1.095 226 I CA -1.269 60.052 61.300 0.034 0.000 1.000 226 I CB 1.868 39.817 38.000 -0.085 0.000 1.229 226 I HN 0.264 nan 8.210 nan 0.000 0.454 227 V N 2.211 122.245 119.914 0.200 0.000 2.384 227 V HA 0.442 4.562 4.120 -0.001 0.000 0.287 227 V C -1.121 175.120 176.094 0.244 0.000 1.020 227 V CA -0.012 62.419 62.300 0.217 0.000 0.850 227 V CB 1.011 32.967 31.823 0.222 0.000 0.987 227 V HN 0.772 nan 8.190 nan 0.000 0.436 228 D N 2.676 123.176 120.400 0.168 0.000 2.330 228 D HA 0.210 4.850 4.640 -0.001 0.000 0.249 228 D C 1.131 177.484 176.300 0.088 0.000 1.306 228 D CA 0.059 54.136 54.000 0.130 0.000 0.956 228 D CB 1.630 42.485 40.800 0.092 0.000 1.261 228 D HN 0.472 nan 8.370 nan 0.000 0.544 229 S N 1.004 116.744 115.700 0.067 0.000 2.469 229 S HA -0.072 4.398 4.470 -0.001 0.000 0.238 229 S C 2.004 176.622 174.600 0.030 0.000 0.998 229 S CA 0.835 59.055 58.200 0.033 0.000 0.957 229 S CB -0.140 63.040 63.200 -0.034 0.000 0.764 229 S HN 0.413 nan 8.310 nan 0.000 0.514 230 G N 0.552 109.358 108.800 0.008 0.000 2.534 230 G HA2 0.157 4.117 3.960 -0.001 0.000 0.217 230 G HA3 0.157 4.117 3.960 -0.001 0.000 0.217 230 G C 0.379 175.270 174.900 -0.016 0.000 1.128 230 G CA 0.567 45.650 45.100 -0.028 0.000 0.784 230 G HN 0.514 nan 8.290 nan 0.000 0.542 231 T N -0.148 114.414 114.554 0.014 0.000 2.855 231 T HA 0.411 4.761 4.350 -0.001 0.000 0.281 231 T C 1.218 175.936 174.700 0.029 0.000 1.007 231 T CA -0.392 61.714 62.100 0.009 0.000 1.009 231 T CB 1.971 70.842 68.868 0.004 0.000 0.983 231 T HN -0.034 nan 8.240 nan 0.000 0.455 232 T N 2.347 116.913 114.554 0.020 0.000 2.809 232 T HA 0.034 4.384 4.350 -0.001 0.000 0.260 232 T C 0.949 175.661 174.700 0.019 0.000 1.039 232 T CA 0.767 62.886 62.100 0.032 0.000 1.141 232 T CB -0.145 68.734 68.868 0.018 0.000 0.869 232 T HN 0.483 nan 8.240 nan 0.000 0.437 233 N N 1.130 119.824 118.700 -0.010 0.000 2.467 233 N HA 0.277 5.016 4.740 -0.001 0.000 0.262 233 N C -0.833 174.659 175.510 -0.029 0.000 1.234 233 N CA -0.413 52.614 53.050 -0.038 0.000 0.952 233 N CB 0.750 39.191 38.487 -0.077 0.000 1.158 233 N HN 0.169 nan 8.380 nan 0.000 0.463 234 L N 2.469 123.663 121.223 -0.049 0.000 2.325 234 L HA 0.243 4.583 4.340 -0.001 0.000 0.284 234 L C -0.471 176.351 176.870 -0.081 0.000 1.089 234 L CA -0.204 54.607 54.840 -0.048 0.000 0.836 234 L CB -0.037 41.991 42.059 -0.051 0.000 1.184 234 L HN 0.449 nan 8.230 nan 0.000 0.444 235 R N 6.185 126.645 120.500 -0.066 0.000 2.295 235 R HA 0.556 4.896 4.340 -0.001 0.000 0.324 235 R C -1.082 175.188 176.300 -0.050 0.000 0.968 235 R CA -0.618 55.429 56.100 -0.089 0.000 0.837 235 R CB 1.585 31.830 30.300 -0.092 0.000 1.133 235 R HN 0.607 nan 8.270 nan 0.000 0.450 236 L N 4.314 125.526 121.223 -0.018 0.000 2.334 236 L HA 0.577 4.917 4.340 -0.001 0.000 0.272 236 L C -2.160 174.749 176.870 0.064 0.000 1.020 236 L CA -2.588 52.289 54.840 0.062 0.000 0.812 236 L CB 1.451 43.606 42.059 0.160 0.000 1.264 236 L HN 0.279 nan 8.230 nan 0.000 0.439 237 P HA 0.112 nan 4.420 nan 0.000 0.275 237 P C 0.114 177.496 177.300 0.137 0.000 1.270 237 P CA -0.428 62.705 63.100 0.054 0.000 0.791 237 P CB 0.614 32.345 31.700 0.053 0.000 1.089 238 K N 0.381 120.850 120.400 0.115 0.000 1.988 238 K HA -0.236 4.083 4.320 -0.001 0.000 0.221 238 K C 1.810 178.530 176.600 0.200 0.000 1.053 238 K CA 2.150 58.534 56.287 0.162 0.000 0.959 238 K CB -0.493 32.082 32.500 0.125 0.000 0.728 238 K HN 0.346 nan 8.250 nan 0.000 0.447 239 K N 0.608 121.103 120.400 0.158 0.000 2.026 239 K HA -0.101 4.219 4.320 -0.001 0.000 0.208 239 K C 2.150 178.820 176.600 0.116 0.000 1.048 239 K CA 1.324 57.679 56.287 0.113 0.000 0.929 239 K CB -0.286 32.262 32.500 0.080 0.000 0.713 239 K HN -0.053 nan 8.250 nan 0.000 0.439 240 V N 1.362 121.373 119.914 0.161 0.000 2.324 240 V HA -0.275 3.845 4.120 -0.001 0.000 0.250 240 V C 2.036 178.235 176.094 0.175 0.000 1.060 240 V CA 1.867 64.287 62.300 0.200 0.000 1.042 240 V CB -0.625 31.370 31.823 0.285 0.000 0.650 240 V HN 0.233 nan 8.190 nan 0.000 0.450 241 F N 1.152 121.148 119.950 0.075 0.000 2.069 241 F HA -0.177 4.350 4.527 -0.001 0.000 0.298 241 F C 2.429 178.267 175.800 0.064 0.000 1.113 241 F CA 2.202 60.242 58.000 0.067 0.000 1.214 241 F CB -0.570 38.469 39.000 0.066 0.000 0.978 241 F HN 0.207 nan 8.300 nan 0.000 0.474 242 E N 0.125 120.215 120.200 -0.182 0.000 2.048 242 E HA -0.325 4.025 4.350 -0.001 0.000 0.202 242 E C 2.301 178.751 176.600 -0.249 0.000 1.021 242 E CA 1.620 57.865 56.400 -0.259 0.000 0.825 242 E CB -0.521 29.148 29.700 -0.052 0.000 0.756 242 E HN 0.494 nan 8.360 nan 0.000 0.454 243 A N 0.892 123.646 122.820 -0.110 0.000 1.877 243 A HA -0.118 4.202 4.320 -0.001 0.000 0.216 243 A C 2.363 179.891 177.584 -0.094 0.000 1.186 243 A CA 2.016 54.010 52.037 -0.073 0.000 0.620 243 A CB -0.804 18.199 19.000 0.005 0.000 0.822 243 A HN 0.420 nan 8.150 nan 0.000 0.443 244 A N -0.533 122.240 122.820 -0.078 0.000 1.883 244 A HA -0.041 4.278 4.320 -0.001 0.000 0.217 244 A C 2.263 179.765 177.584 -0.137 0.000 1.186 244 A CA 1.915 53.910 52.037 -0.070 0.000 0.624 244 A CB -1.113 17.880 19.000 -0.011 0.000 0.822 244 A HN 0.392 nan 8.150 nan 0.000 0.444 245 V N 0.485 120.227 119.914 -0.287 0.000 2.233 245 V HA -0.348 3.772 4.120 -0.001 0.000 0.247 245 V C 2.592 178.429 176.094 -0.428 0.000 1.050 245 V CA 2.631 64.687 62.300 -0.406 0.000 1.010 245 V CB -0.736 30.661 31.823 -0.709 0.000 0.637 245 V HN 0.772 nan 8.190 nan 0.000 0.444 246 K N -0.178 120.008 120.400 -0.357 0.000 2.059 246 K HA -0.290 4.030 4.320 -0.001 0.000 0.212 246 K C 2.416 178.890 176.600 -0.209 0.000 1.050 246 K CA 2.332 58.452 56.287 -0.279 0.000 0.927 246 K CB -0.456 31.931 32.500 -0.188 0.000 0.714 246 K HN 0.412 nan 8.250 nan 0.000 0.447 247 S N 0.019 115.632 115.700 -0.146 0.000 2.383 247 S HA -0.055 4.415 4.470 -0.001 0.000 0.227 247 S C 1.901 176.465 174.600 -0.059 0.000 1.026 247 S CA 1.068 59.218 58.200 -0.084 0.000 0.981 247 S CB -0.252 62.919 63.200 -0.049 0.000 0.818 247 S HN 0.381 nan 8.310 nan 0.000 0.472 248 I N 1.269 121.801 120.570 -0.063 0.000 2.315 248 I HA -0.132 4.038 4.170 -0.001 0.000 0.248 248 I C 2.595 178.702 176.117 -0.016 0.000 1.117 248 I CA 1.220 62.546 61.300 0.043 0.000 1.404 248 I CB -0.286 37.801 38.000 0.145 0.000 1.071 248 I HN 0.278 nan 8.210 nan 0.000 0.419 249 K N 1.205 121.430 120.400 -0.292 0.000 2.002 249 K HA -0.212 4.107 4.320 -0.001 0.000 0.209 249 K C 2.217 178.735 176.600 -0.137 0.000 1.048 249 K CA 1.617 57.664 56.287 -0.401 0.000 0.930 249 K CB -0.161 31.943 32.500 -0.660 0.000 0.714 249 K HN 0.300 nan 8.250 nan 0.000 0.438 250 A N 1.196 123.944 122.820 -0.121 0.000 1.829 250 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 250 A C 2.359 179.929 177.584 -0.024 0.000 1.207 250 A CA 2.291 54.289 52.037 -0.065 0.000 0.622 250 A CB -1.390 17.573 19.000 -0.061 0.000 0.846 250 A HN 0.491 nan 8.150 nan 0.000 0.447 251 A N 0.046 122.865 122.820 -0.002 0.000 1.957 251 A HA -0.298 4.022 4.320 -0.001 0.000 0.224 251 A C 2.351 179.951 177.584 0.027 0.000 1.287 251 A CA 3.379 55.435 52.037 0.032 0.000 0.682 251 A CB -1.351 17.694 19.000 0.075 0.000 0.833 251 A HN 1.359 nan 8.150 nan 0.000 0.482 252 S N -1.501 114.221 115.700 0.037 0.000 2.593 252 S HA 0.144 4.614 4.470 -0.001 0.000 0.217 252 S C 1.312 175.876 174.600 -0.060 0.000 0.966 252 S CA 0.782 58.970 58.200 -0.020 0.000 0.914 252 S CB -0.108 63.146 63.200 0.090 0.000 0.776 252 S HN 0.384 nan 8.310 nan 0.000 0.523 253 S N 2.173 117.848 115.700 -0.041 0.000 2.584 253 S HA -0.051 4.418 4.470 -0.001 0.000 0.240 253 S C 1.605 176.153 174.600 -0.088 0.000 0.975 253 S CA 1.059 59.220 58.200 -0.065 0.000 0.949 253 S CB -0.817 62.353 63.200 -0.051 0.000 0.761 253 S HN 0.757 nan 8.310 nan 0.000 0.536 254 T N 1.899 116.403 114.554 -0.083 0.000 2.685 254 T HA -0.139 4.210 4.350 -0.001 0.000 0.268 254 T C 0.766 175.404 174.700 -0.104 0.000 1.034 254 T CA 1.325 63.380 62.100 -0.074 0.000 1.149 254 T CB -0.058 68.773 68.868 -0.060 0.000 0.860 254 T HN 0.566 nan 8.240 nan 0.000 0.449 255 E N -0.349 119.744 120.200 -0.179 0.000 2.355 255 E HA 0.598 4.948 4.350 -0.001 0.000 0.261 255 E C -0.525 175.735 176.600 -0.566 0.000 0.943 255 E CA -0.914 55.289 56.400 -0.328 0.000 0.806 255 E CB 1.921 31.441 29.700 -0.299 0.000 1.286 255 E HN -0.016 nan 8.360 nan 0.000 0.424 256 K N 1.189 121.160 120.400 -0.716 0.000 2.318 256 K HA 0.563 4.883 4.320 -0.001 0.000 0.249 256 K C -1.614 174.447 176.600 -0.899 0.000 0.942 256 K CA -0.408 55.511 56.287 -0.613 0.000 0.808 256 K CB 0.994 33.356 32.500 -0.230 0.000 1.189 256 K HN 0.387 nan 8.250 nan 0.000 0.428 257 F N 0.979 120.970 119.950 0.070 0.000 2.664 257 F HA 0.439 4.965 4.527 -0.001 0.000 0.317 257 F C -2.026 173.779 175.800 0.008 0.000 1.108 257 F CA -2.249 55.683 58.000 -0.113 0.000 0.957 257 F CB 1.278 39.993 39.000 -0.474 0.000 1.365 257 F HN 0.402 nan 8.300 nan 0.000 0.475 258 P HA 0.157 nan 4.420 nan 0.000 0.272 258 P C -0.235 177.221 177.300 0.259 0.000 1.223 258 P CA -0.070 63.128 63.100 0.162 0.000 0.784 258 P CB 0.728 32.488 31.700 0.100 0.000 0.923 259 D N 1.188 121.776 120.400 0.313 0.000 2.144 259 D HA -0.103 4.536 4.640 -0.001 0.000 0.199 259 D C 2.166 178.678 176.300 0.353 0.000 0.984 259 D CA 1.757 56.013 54.000 0.427 0.000 0.834 259 D CB -0.801 40.162 40.800 0.272 0.000 0.955 259 D HN 0.563 nan 8.370 nan 0.000 0.465 260 G N 0.326 109.262 108.800 0.226 0.000 2.440 260 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 260 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 260 G C 1.496 176.493 174.900 0.162 0.000 1.154 260 G CA 0.632 45.839 45.100 0.177 0.000 0.767 260 G HN 0.330 nan 8.290 nan 0.000 0.552 261 F N 0.673 120.598 119.950 -0.042 0.000 2.095 261 F HA -0.122 4.405 4.527 -0.001 0.000 0.298 261 F C 2.390 178.144 175.800 -0.076 0.000 1.104 261 F CA 1.644 59.550 58.000 -0.155 0.000 1.232 261 F CB -0.444 38.317 39.000 -0.397 0.000 0.987 261 F HN 0.250 nan 8.300 nan 0.000 0.475 262 W N 0.319 121.537 121.300 -0.137 0.000 2.342 262 W HA -0.177 4.483 4.660 -0.000 0.000 0.297 262 W C 1.837 178.484 176.519 0.213 0.000 1.213 262 W CA 0.206 57.452 57.345 -0.166 0.000 1.251 262 W CB -0.623 28.848 29.460 0.018 0.000 1.136 262 W HN -0.015 nan 8.180 nan 0.000 0.526 263 L N 0.590 122.044 121.223 0.385 0.000 2.627 263 L HA 0.228 4.567 4.340 -0.001 0.000 0.233 263 L C 1.578 178.532 176.870 0.140 0.000 1.144 263 L CA 1.317 56.340 54.840 0.305 0.000 0.892 263 L CB -1.816 40.396 42.059 0.255 0.000 1.039 263 L HN 0.337 nan 8.230 nan 0.000 0.442 264 G N 0.988 109.840 108.800 0.086 0.000 2.295 264 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.287 264 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.287 264 G C 0.794 175.721 174.900 0.045 0.000 1.055 264 G CA 0.597 45.717 45.100 0.034 0.000 0.922 264 G HN 0.516 nan 8.290 nan 0.000 0.503 265 E N -1.240 118.999 120.200 0.066 0.000 2.473 265 E HA 0.171 4.521 4.350 -0.001 0.000 0.204 265 E C 1.015 177.657 176.600 0.071 0.000 0.994 265 E CA 0.230 56.671 56.400 0.069 0.000 0.945 265 E CB 0.600 30.350 29.700 0.084 0.000 0.990 265 E HN 0.642 nan 8.360 nan 0.000 0.493 266 Q N 0.208 120.060 119.800 0.088 0.000 2.553 266 Q HA 0.437 4.777 4.340 -0.001 0.000 0.293 266 Q C -1.624 174.462 176.000 0.143 0.000 1.038 266 Q CA -0.803 55.060 55.803 0.099 0.000 0.777 266 Q CB 1.721 30.523 28.738 0.107 0.000 1.487 266 Q HN -0.054 nan 8.270 nan 0.000 0.426 267 L N 0.096 121.390 121.223 0.119 0.000 2.331 267 L HA 0.778 5.117 4.340 -0.001 0.000 0.268 267 L C -0.617 176.299 176.870 0.076 0.000 1.015 267 L CA -0.744 54.191 54.840 0.158 0.000 0.807 267 L CB 1.411 43.519 42.059 0.082 0.000 1.293 267 L HN 0.358 nan 8.230 nan 0.000 0.451 268 V N -0.203 119.721 119.914 0.016 0.000 2.876 268 V HA 0.739 4.859 4.120 -0.001 0.000 0.312 268 V C -1.260 174.646 176.094 -0.315 0.000 1.085 268 V CA -0.333 61.736 62.300 -0.386 0.000 0.945 268 V CB 1.886 33.069 31.823 -1.066 0.000 1.017 268 V HN 0.951 nan 8.190 nan 0.000 0.428 269 c N 4.828 123.069 118.600 -0.597 0.000 2.898 269 c HA 0.759 5.329 4.570 -0.001 0.000 0.304 269 c C -0.754 172.991 174.090 -0.575 0.000 1.237 269 c CA -1.070 55.075 56.329 -0.307 0.000 1.529 269 c CB 1.491 43.907 42.510 -0.156 0.000 2.021 269 c HN 0.932 nan 8.230 nan 0.000 0.474 270 W N -0.130 121.176 121.300 0.009 0.000 3.060 270 W HA 0.469 5.129 4.660 -0.001 0.000 0.346 270 W C -0.520 175.990 176.519 -0.016 0.000 1.194 270 W CA -0.522 56.818 57.345 -0.009 0.000 1.105 270 W CB 1.037 30.484 29.460 -0.022 0.000 1.487 270 W HN 0.588 nan 8.180 nan 0.000 0.592 271 Q N 0.382 120.312 119.800 0.216 0.000 2.212 271 Q HA 0.517 4.857 4.340 -0.001 0.000 0.238 271 Q C -0.019 176.025 176.000 0.073 0.000 0.955 271 Q CA -0.568 55.294 55.803 0.098 0.000 0.906 271 Q CB 1.470 30.243 28.738 0.059 0.000 1.215 271 Q HN 0.396 nan 8.270 nan 0.000 0.478 272 A N 0.616 123.455 122.820 0.031 0.000 2.561 272 A HA 0.350 4.670 4.320 -0.001 0.000 0.251 272 A C 1.041 178.620 177.584 -0.008 0.000 1.062 272 A CA 0.895 52.936 52.037 0.007 0.000 0.761 272 A CB -1.041 17.957 19.000 -0.003 0.000 0.986 272 A HN 0.980 nan 8.150 nan 0.000 0.510 273 G N 1.803 110.583 108.800 -0.034 0.000 2.147 273 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.244 273 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.244 273 G C 0.559 175.403 174.900 -0.093 0.000 1.005 273 G CA 1.172 46.234 45.100 -0.062 0.000 0.713 273 G HN 2.399 nan 8.290 nan 0.000 0.515 274 T N -2.540 111.951 114.554 -0.104 0.000 3.516 274 T HA 0.501 4.851 4.350 -0.001 0.000 0.300 274 T C 0.292 174.844 174.700 -0.247 0.000 0.995 274 T CA 0.765 62.804 62.100 -0.100 0.000 0.982 274 T CB 0.462 69.353 68.868 0.038 0.000 1.199 274 T HN 0.452 nan 8.240 nan 0.000 0.481 275 T N 4.648 118.894 114.554 -0.512 0.000 2.799 275 T HA 0.538 4.887 4.350 -0.001 0.000 0.286 275 T C -2.601 171.540 174.700 -0.931 0.000 0.973 275 T CA -1.225 60.294 62.100 -0.968 0.000 1.035 275 T CB 1.398 69.542 68.868 -1.206 0.000 0.932 275 T HN 0.157 nan 8.240 nan 0.000 0.469 276 P HA 0.189 nan 4.420 nan 0.000 0.251 276 P C 0.164 177.352 177.300 -0.186 0.000 1.718 276 P CA -0.558 62.292 63.100 -0.417 0.000 1.119 276 P CB 0.106 31.645 31.700 -0.267 0.000 1.762 277 W N 1.877 123.064 121.300 -0.187 0.000 2.317 277 W HA -0.255 4.404 4.660 -0.001 0.000 0.318 277 W C 1.830 178.359 176.519 0.016 0.000 1.227 277 W CA 0.521 57.794 57.345 -0.119 0.000 1.269 277 W CB -0.788 28.548 29.460 -0.207 0.000 1.155 277 W HN 0.229 nan 8.180 nan 0.000 0.484 278 N N 0.306 119.135 118.700 0.215 0.000 2.223 278 N HA -0.150 4.590 4.740 -0.001 0.000 0.185 278 N C 1.283 176.872 175.510 0.131 0.000 1.016 278 N CA 1.175 54.327 53.050 0.171 0.000 0.863 278 N CB -0.738 37.839 38.487 0.150 0.000 0.983 278 N HN 0.070 nan 8.380 nan 0.000 0.429 279 I N 0.120 120.716 120.570 0.042 0.000 3.294 279 I HA -0.076 4.093 4.170 -0.001 0.000 0.287 279 I C -0.036 175.926 176.117 -0.258 0.000 1.328 279 I CA 0.578 61.809 61.300 -0.116 0.000 1.375 279 I CB -1.579 36.293 38.000 -0.213 0.000 1.045 279 I HN -0.076 nan 8.210 nan 0.000 0.522 280 F N 2.170 122.230 119.950 0.182 0.000 2.532 280 F HA 0.448 4.975 4.527 -0.001 0.000 0.321 280 F C -1.958 173.992 175.800 0.251 0.000 1.089 280 F CA -2.271 55.885 58.000 0.259 0.000 0.926 280 F CB 1.800 40.961 39.000 0.267 0.000 1.168 280 F HN -0.198 nan 8.300 nan 0.000 0.459 281 P HA 0.180 nan 4.420 nan 0.000 0.274 281 P C -0.736 176.785 177.300 0.368 0.000 1.246 281 P CA -0.285 63.018 63.100 0.339 0.000 0.795 281 P CB 1.262 33.120 31.700 0.263 0.000 1.006 282 V N -0.459 119.596 119.914 0.235 0.000 2.953 282 V HA 0.472 4.591 4.120 -0.001 0.000 0.304 282 V C 0.045 176.228 176.094 0.148 0.000 1.073 282 V CA -0.485 61.937 62.300 0.204 0.000 1.064 282 V CB 0.364 32.262 31.823 0.125 0.000 1.047 282 V HN 0.284 nan 8.190 nan 0.000 0.478 283 I N 2.560 123.201 120.570 0.118 0.000 2.433 283 I HA 0.468 4.637 4.170 -0.001 0.000 0.292 283 I C -0.138 175.968 176.117 -0.018 0.000 1.001 283 I CA -0.229 61.080 61.300 0.015 0.000 1.119 283 I CB 1.983 39.949 38.000 -0.057 0.000 1.289 283 I HN 0.704 nan 8.210 nan 0.000 0.438 284 S N 6.863 122.522 115.700 -0.068 0.000 2.478 284 S HA 0.635 5.105 4.470 -0.001 0.000 0.312 284 S C -0.466 174.028 174.600 -0.176 0.000 1.094 284 S CA -0.605 57.508 58.200 -0.145 0.000 1.081 284 S CB 1.395 64.493 63.200 -0.169 0.000 1.007 284 S HN 0.341 nan 8.310 nan 0.000 0.475 285 L N 3.703 124.765 121.223 -0.268 0.000 2.287 285 L HA 0.521 4.861 4.340 -0.001 0.000 0.287 285 L C -1.213 175.421 176.870 -0.392 0.000 1.022 285 L CA -0.875 53.789 54.840 -0.293 0.000 0.814 285 L CB 0.501 42.365 42.059 -0.324 0.000 1.217 285 L HN 0.566 nan 8.230 nan 0.000 0.420 286 Y N 3.725 123.757 120.300 -0.446 0.000 2.316 286 Y HA 0.480 5.030 4.550 -0.000 0.000 0.331 286 Y C 0.171 175.778 175.900 -0.489 0.000 1.083 286 Y CA -0.401 57.403 58.100 -0.494 0.000 1.206 286 Y CB 1.009 39.236 38.460 -0.388 0.000 1.195 286 Y HN 0.369 nan 8.280 nan 0.000 0.497 287 L N 4.392 125.263 121.223 -0.586 0.000 2.334 287 L HA 0.446 4.785 4.340 -0.001 0.000 0.276 287 L C 0.147 176.855 176.870 -0.270 0.000 1.014 287 L CA -1.086 53.451 54.840 -0.504 0.000 0.815 287 L CB 1.734 43.303 42.059 -0.817 0.000 1.268 287 L HN 0.634 nan 8.230 nan 0.000 0.428 288 M N 1.845 121.411 119.600 -0.057 0.000 2.255 288 M HA 0.077 4.556 4.480 -0.001 0.000 0.356 288 M C 0.443 176.864 176.300 0.202 0.000 1.338 288 M CA 0.593 55.938 55.300 0.075 0.000 0.962 288 M CB 0.474 33.129 32.600 0.092 0.000 1.877 288 M HN 0.744 nan 8.290 nan 0.000 0.463 289 G N 3.484 112.450 108.800 0.277 0.000 2.568 289 G HA2 0.276 4.235 3.960 -0.001 0.000 0.293 289 G HA3 0.276 4.235 3.960 -0.001 0.000 0.293 289 G C 0.016 175.089 174.900 0.289 0.000 1.347 289 G CA -0.427 44.930 45.100 0.428 0.000 1.039 289 G HN 0.873 nan 8.290 nan 0.000 0.523 290 E N -1.575 118.781 120.200 0.261 0.000 2.208 290 E HA 0.025 4.374 4.350 -0.001 0.000 0.193 290 E C 0.404 177.074 176.600 0.116 0.000 0.988 290 E CA 0.384 56.879 56.400 0.159 0.000 0.828 290 E CB 0.280 30.043 29.700 0.105 0.000 0.763 290 E HN 0.044 nan 8.360 nan 0.000 0.478 291 V N 1.320 121.313 119.914 0.131 0.000 2.769 291 V HA 0.109 4.228 4.120 -0.001 0.000 0.312 291 V C 0.240 176.395 176.094 0.101 0.000 1.058 291 V CA -0.717 61.642 62.300 0.098 0.000 0.952 291 V CB 2.028 33.906 31.823 0.092 0.000 1.019 291 V HN 0.035 nan 8.190 nan 0.000 0.445 292 T N 4.136 118.735 114.554 0.076 0.000 2.933 292 T HA 0.009 4.358 4.350 -0.001 0.000 0.306 292 T C 0.858 175.604 174.700 0.077 0.000 1.045 292 T CA 0.610 62.751 62.100 0.069 0.000 1.143 292 T CB -0.294 68.605 68.868 0.050 0.000 1.003 292 T HN 0.834 nan 8.240 nan 0.000 0.540 293 N N 0.887 119.632 118.700 0.076 0.000 2.713 293 N HA -0.154 4.585 4.740 -0.001 0.000 0.251 293 N C -0.179 175.397 175.510 0.109 0.000 1.117 293 N CA 0.929 54.027 53.050 0.079 0.000 0.770 293 N CB -0.565 37.959 38.487 0.062 0.000 1.137 293 N HN 0.698 nan 8.380 nan 0.000 0.566 294 Q N 0.851 120.734 119.800 0.138 0.000 2.333 294 Q HA 0.536 4.876 4.340 -0.001 0.000 0.268 294 Q C -0.532 175.613 176.000 0.241 0.000 1.007 294 Q CA -0.230 55.688 55.803 0.191 0.000 0.810 294 Q CB 1.529 30.387 28.738 0.200 0.000 1.264 294 Q HN 0.323 nan 8.270 nan 0.000 0.452 295 S N 3.024 118.891 115.700 0.277 0.000 2.704 295 S HA 0.901 5.371 4.470 -0.001 0.000 0.296 295 S C -0.770 174.044 174.600 0.358 0.000 1.138 295 S CA -0.653 57.718 58.200 0.286 0.000 0.875 295 S CB 1.484 64.802 63.200 0.197 0.000 1.151 295 S HN 0.537 nan 8.310 nan 0.000 0.500 296 F N -1.118 118.840 119.950 0.013 0.000 2.631 296 F HA 0.875 5.401 4.527 -0.001 0.000 0.308 296 F C -0.991 174.569 175.800 -0.400 0.000 1.097 296 F CA -1.225 56.632 58.000 -0.239 0.000 0.952 296 F CB 1.230 39.871 39.000 -0.599 0.000 1.307 296 F HN 0.902 nan 8.300 nan 0.000 0.450 297 R N 3.171 123.317 120.500 -0.590 0.000 2.637 297 R HA 0.843 5.183 4.340 -0.001 0.000 0.291 297 R C -1.185 174.774 176.300 -0.568 0.000 0.963 297 R CA -0.898 54.660 56.100 -0.903 0.000 0.901 297 R CB 2.097 31.515 30.300 -1.470 0.000 1.160 297 R HN 0.934 nan 8.270 nan 0.000 0.457 298 I N -0.618 119.581 120.570 -0.618 0.000 2.412 298 I HA 0.571 4.740 4.170 -0.001 0.000 0.296 298 I C -1.058 174.934 176.117 -0.208 0.000 0.987 298 I CA -0.750 60.266 61.300 -0.473 0.000 1.180 298 I CB 2.407 39.816 38.000 -0.985 0.000 1.340 298 I HN 0.607 nan 8.210 nan 0.000 0.455 299 T N 7.277 121.866 114.554 0.059 0.000 2.809 299 T HA 0.547 4.897 4.350 -0.001 0.000 0.284 299 T C 0.078 174.884 174.700 0.178 0.000 0.992 299 T CA -0.498 61.642 62.100 0.067 0.000 0.957 299 T CB 1.382 70.255 68.868 0.009 0.000 0.942 299 T HN 0.658 nan 8.240 nan 0.000 0.439 300 I N 0.945 121.605 120.570 0.150 0.000 2.918 300 I HA 0.701 4.870 4.170 -0.001 0.000 0.316 300 I C -0.758 175.418 176.117 0.099 0.000 1.001 300 I CA -1.272 60.088 61.300 0.100 0.000 1.142 300 I CB 0.968 39.055 38.000 0.146 0.000 1.356 300 I HN 0.443 nan 8.210 nan 0.000 0.524 301 L N 1.499 122.738 121.223 0.028 0.000 2.347 301 L HA 0.486 4.825 4.340 -0.001 0.000 0.268 301 L C -1.801 174.971 176.870 -0.163 0.000 1.019 301 L CA -1.628 53.195 54.840 -0.029 0.000 0.806 301 L CB 1.046 43.011 42.059 -0.157 0.000 1.339 301 L HN 0.386 nan 8.230 nan 0.000 0.463 302 P HA -0.098 nan 4.420 nan 0.000 0.229 302 P C 0.713 177.522 177.300 -0.818 0.000 1.160 302 P CA 0.570 63.018 63.100 -1.087 0.000 0.777 302 P CB 0.072 31.405 31.700 -0.611 0.000 0.814 303 Q N -0.487 118.877 119.800 -0.726 0.000 2.561 303 Q HA -0.111 4.229 4.340 -0.001 0.000 0.217 303 Q C 1.070 176.880 176.000 -0.316 0.000 0.980 303 Q CA 1.180 56.593 55.803 -0.649 0.000 0.927 303 Q CB -0.520 27.697 28.738 -0.868 0.000 0.980 303 Q HN 0.330 nan 8.270 nan 0.000 0.525 304 Q N -0.580 119.051 119.800 -0.282 0.000 2.391 304 Q HA 0.060 4.400 4.340 -0.001 0.000 0.243 304 Q C 0.785 176.772 176.000 -0.022 0.000 0.874 304 Q CA 0.551 56.294 55.803 -0.100 0.000 0.950 304 Q CB 0.401 29.121 28.738 -0.030 0.000 1.103 304 Q HN 0.665 nan 8.270 nan 0.000 0.544 305 Y N -2.688 117.576 120.300 -0.061 0.000 2.444 305 Y HA 0.452 5.001 4.550 -0.001 0.000 0.249 305 Y C -0.149 175.719 175.900 -0.053 0.000 1.134 305 Y CA -0.630 57.412 58.100 -0.097 0.000 1.261 305 Y CB 0.579 38.951 38.460 -0.147 0.000 1.143 305 Y HN -0.177 nan 8.280 nan 0.000 0.523 306 L N 4.771 125.862 121.223 -0.220 0.000 2.283 306 L HA 0.419 4.759 4.340 -0.001 0.000 0.281 306 L C -0.286 176.679 176.870 0.158 0.000 1.033 306 L CA -1.269 53.557 54.840 -0.023 0.000 0.848 306 L CB 0.569 42.445 42.059 -0.305 0.000 1.226 306 L HN 0.368 nan 8.230 nan 0.000 0.429 307 R N 2.953 123.592 120.500 0.231 0.000 2.393 307 R HA 0.734 5.074 4.340 -0.001 0.000 0.310 307 R C -2.665 173.782 176.300 0.246 0.000 0.968 307 R CA -1.953 54.280 56.100 0.222 0.000 0.867 307 R CB 0.641 31.002 30.300 0.102 0.000 1.124 307 R HN 0.201 nan 8.270 nan 0.000 0.450 308 P HA -0.062 nan 4.420 nan 0.000 0.265 308 P C -0.461 176.778 177.300 -0.103 0.000 1.193 308 P CA -0.280 62.679 63.100 -0.235 0.000 0.765 308 P CB 0.582 32.127 31.700 -0.258 0.000 0.823 309 V N 4.133 123.978 119.914 -0.116 0.000 2.387 309 V HA -0.013 4.107 4.120 -0.001 0.000 0.260 309 V C 1.873 177.918 176.094 -0.082 0.000 1.054 309 V CA 0.270 62.533 62.300 -0.061 0.000 0.967 309 V CB -0.074 31.729 31.823 -0.033 0.000 1.036 309 V HN 0.716 nan 8.190 nan 0.000 0.481 310 E N 3.684 123.847 120.200 -0.062 0.000 2.045 310 E HA -0.224 4.126 4.350 -0.001 0.000 0.212 310 E C -0.042 176.522 176.600 -0.060 0.000 1.039 310 E CA 1.705 58.069 56.400 -0.060 0.000 0.860 310 E CB 0.241 29.915 29.700 -0.044 0.000 0.776 310 E HN 0.746 nan 8.360 nan 0.000 0.467 311 D N 0.269 120.639 120.400 -0.049 0.000 2.505 311 D HA 0.198 4.837 4.640 -0.001 0.000 0.250 311 D C -1.075 175.201 176.300 -0.041 0.000 1.164 311 D CA -0.330 53.643 54.000 -0.045 0.000 0.870 311 D CB 1.880 42.657 40.800 -0.039 0.000 1.160 311 D HN 0.100 nan 8.370 nan 0.000 0.549 312 V N 0.417 120.306 119.914 -0.042 0.000 2.288 312 V HA 0.578 4.698 4.120 -0.001 0.000 0.266 312 V C 1.450 177.526 176.094 -0.031 0.000 1.048 312 V CA -0.698 61.581 62.300 -0.034 0.000 0.842 312 V CB 0.789 32.591 31.823 -0.036 0.000 1.064 312 V HN 0.504 nan 8.190 nan 0.000 0.472 313 A N 4.215 127.019 122.820 -0.027 0.000 1.997 313 A HA -0.147 4.172 4.320 -0.001 0.000 0.221 313 A C 1.799 179.370 177.584 -0.022 0.000 1.172 313 A CA 2.497 54.520 52.037 -0.024 0.000 0.645 313 A CB -0.711 18.276 19.000 -0.022 0.000 0.813 313 A HN 1.177 nan 8.150 nan 0.000 0.454 314 T N -2.189 112.352 114.554 -0.021 0.000 3.264 314 T HA 0.459 4.808 4.350 -0.001 0.000 0.257 314 T C 0.043 174.729 174.700 -0.023 0.000 0.976 314 T CA 0.422 62.510 62.100 -0.020 0.000 0.908 314 T CB -0.377 68.482 68.868 -0.016 0.000 1.082 314 T HN 0.605 nan 8.240 nan 0.000 0.567 315 S N 0.610 116.294 115.700 -0.027 0.000 2.582 315 S HA 0.330 4.800 4.470 -0.001 0.000 0.287 315 S C -0.635 173.945 174.600 -0.033 0.000 1.146 315 S CA -0.617 57.565 58.200 -0.031 0.000 0.941 315 S CB 1.933 65.111 63.200 -0.036 0.000 1.115 315 S HN 0.136 nan 8.310 nan 0.000 0.458 316 Q N 2.299 122.081 119.800 -0.030 0.000 2.198 316 Q HA 0.347 4.686 4.340 -0.001 0.000 0.209 316 Q C -0.027 175.956 176.000 -0.028 0.000 0.848 316 Q CA 0.095 55.881 55.803 -0.029 0.000 0.974 316 Q CB 0.345 29.070 28.738 -0.023 0.000 1.115 316 Q HN 0.736 nan 8.270 nan 0.000 0.494 317 D N -0.281 120.100 120.400 -0.031 0.000 2.478 317 D HA 0.101 4.741 4.640 -0.001 0.000 0.274 317 D C -0.734 175.548 176.300 -0.031 0.000 1.234 317 D CA -0.153 53.835 54.000 -0.021 0.000 1.069 317 D CB 0.656 41.443 40.800 -0.022 0.000 1.113 317 D HN -0.008 nan 8.370 nan 0.000 0.571 318 D N -0.032 120.369 120.400 0.001 0.000 2.359 318 D HA 0.254 4.894 4.640 -0.001 0.000 0.230 318 D C -0.507 175.791 176.300 -0.004 0.000 1.118 318 D CA -0.137 53.841 54.000 -0.038 0.000 0.844 318 D CB 0.296 41.135 40.800 0.065 0.000 1.059 318 D HN 0.128 nan 8.370 nan 0.000 0.493 319 c N 2.533 121.042 118.600 -0.152 0.000 2.505 319 c HA 0.661 5.230 4.570 -0.001 0.000 0.358 319 c C -0.635 173.308 174.090 -0.246 0.000 1.226 319 c CA -0.691 55.609 56.329 -0.049 0.000 1.900 319 c CB 0.458 42.947 42.510 -0.035 0.000 2.306 319 c HN 0.528 nan 8.230 nan 0.000 0.512 320 Y N -0.260 120.120 120.300 0.134 0.000 2.513 320 Y HA 0.454 5.003 4.550 -0.000 0.000 0.340 320 Y C -0.098 175.921 175.900 0.198 0.000 1.055 320 Y CA -0.714 57.480 58.100 0.157 0.000 1.020 320 Y CB 1.242 39.816 38.460 0.190 0.000 1.301 320 Y HN 0.544 nan 8.280 nan 0.000 0.453 321 K N 2.185 122.760 120.400 0.292 0.000 2.144 321 K HA 0.382 4.701 4.320 -0.001 0.000 0.270 321 K C -1.115 175.633 176.600 0.246 0.000 1.005 321 K CA -0.517 55.902 56.287 0.221 0.000 0.932 321 K CB 0.690 33.255 32.500 0.109 0.000 1.021 321 K HN 0.711 nan 8.250 nan 0.000 0.462 322 F N 3.462 123.351 119.950 -0.102 0.000 2.462 322 F HA 0.211 4.738 4.527 -0.001 0.000 0.360 322 F C 0.663 176.451 175.800 -0.020 0.000 1.134 322 F CA -0.360 57.542 58.000 -0.163 0.000 1.148 322 F CB 0.648 39.261 39.000 -0.644 0.000 1.147 322 F HN 0.690 nan 8.300 nan 0.000 0.550 323 A N 7.351 130.038 122.820 -0.221 0.000 2.276 323 A HA 0.224 4.544 4.320 -0.001 0.000 0.212 323 A C 0.527 177.913 177.584 -0.331 0.000 1.230 323 A CA 0.043 51.966 52.037 -0.189 0.000 0.844 323 A CB -0.807 18.165 19.000 -0.048 0.000 0.860 323 A HN 0.629 nan 8.150 nan 0.000 0.486 324 I N 0.737 120.865 120.570 -0.737 0.000 2.412 324 I HA 0.482 4.652 4.170 -0.001 0.000 0.296 324 I C 0.229 176.155 176.117 -0.319 0.000 0.987 324 I CA -0.353 60.642 61.300 -0.508 0.000 1.180 324 I CB 1.852 39.530 38.000 -0.537 0.000 1.340 324 I HN 0.253 nan 8.210 nan 0.000 0.455 325 S N 4.441 119.948 115.700 -0.321 0.000 2.615 325 S HA 0.506 4.976 4.470 -0.001 0.000 0.269 325 S C -1.136 173.064 174.600 -0.667 0.000 1.161 325 S CA -0.993 56.873 58.200 -0.558 0.000 0.817 325 S CB 1.990 65.011 63.200 -0.299 0.000 1.131 325 S HN 0.643 nan 8.310 nan 0.000 0.467 326 Q N 0.673 120.025 119.800 -0.747 0.000 2.169 326 Q HA 0.857 5.196 4.340 -0.001 0.000 0.234 326 Q C -0.235 175.638 176.000 -0.212 0.000 0.980 326 Q CA -0.921 54.602 55.803 -0.467 0.000 0.941 326 Q CB 1.193 29.712 28.738 -0.365 0.000 1.199 326 Q HN 0.839 nan 8.270 nan 0.000 0.496 327 S N -0.982 114.649 115.700 -0.116 0.000 2.611 327 S HA 0.432 4.902 4.470 -0.001 0.000 0.268 327 S C -0.897 173.643 174.600 -0.101 0.000 1.156 327 S CA -0.059 58.080 58.200 -0.101 0.000 0.817 327 S CB 1.323 64.459 63.200 -0.105 0.000 1.122 327 S HN 0.878 nan 8.310 nan 0.000 0.466 328 S N -0.036 115.593 115.700 -0.119 0.000 2.787 328 S HA 0.136 4.605 4.470 -0.001 0.000 0.255 328 S C 1.320 175.803 174.600 -0.195 0.000 1.051 328 S CA 0.753 58.852 58.200 -0.169 0.000 1.124 328 S CB -0.237 62.893 63.200 -0.118 0.000 1.104 328 S HN 1.043 nan 8.310 nan 0.000 0.623 329 T N -1.438 113.021 114.554 -0.157 0.000 2.937 329 T HA 0.560 4.909 4.350 -0.001 0.000 0.260 329 T C 1.297 175.862 174.700 -0.225 0.000 1.051 329 T CA 1.001 62.998 62.100 -0.172 0.000 1.141 329 T CB -0.219 68.565 68.868 -0.140 0.000 0.879 329 T HN 1.188 nan 8.240 nan 0.000 0.459 330 G N 0.256 108.937 108.800 -0.198 0.000 2.403 330 G HA2 0.305 4.264 3.960 -0.001 0.000 0.223 330 G HA3 0.305 4.264 3.960 -0.001 0.000 0.223 330 G C -1.038 173.800 174.900 -0.104 0.000 1.287 330 G CA -0.380 44.614 45.100 -0.176 0.000 0.982 330 G HN 0.343 nan 8.290 nan 0.000 0.471 331 T N 0.310 114.828 114.554 -0.060 0.000 2.897 331 T HA 0.545 4.894 4.350 -0.001 0.000 0.294 331 T C -0.262 174.406 174.700 -0.054 0.000 1.004 331 T CA -0.032 62.049 62.100 -0.032 0.000 1.106 331 T CB 1.596 70.466 68.868 0.005 0.000 0.949 331 T HN 1.075 nan 8.240 nan 0.000 0.520 332 V N 3.937 123.827 119.914 -0.041 0.000 2.462 332 V HA 0.275 4.395 4.120 -0.001 0.000 0.288 332 V C -0.248 175.847 176.094 0.001 0.000 1.020 332 V CA -0.674 61.608 62.300 -0.030 0.000 0.857 332 V CB 1.312 33.107 31.823 -0.046 0.000 1.013 332 V HN 0.908 nan 8.190 nan 0.000 0.431 333 M N 4.313 123.934 119.600 0.034 0.000 2.497 333 M HA 0.422 4.901 4.480 -0.001 0.000 0.336 333 M C 0.975 177.328 176.300 0.088 0.000 1.378 333 M CA 0.230 55.569 55.300 0.065 0.000 1.375 333 M CB 0.517 33.174 32.600 0.095 0.000 1.337 333 M HN 0.789 nan 8.290 nan 0.000 0.461 334 G N 0.914 109.754 108.800 0.067 0.000 2.641 334 G HA2 0.549 4.508 3.960 -0.001 0.000 0.239 334 G HA3 0.549 4.508 3.960 -0.001 0.000 0.239 334 G C 0.892 175.846 174.900 0.089 0.000 1.402 334 G CA 0.024 45.166 45.100 0.070 0.000 1.046 334 G HN 0.659 nan 8.290 nan 0.000 0.565 335 A N -1.285 121.589 122.820 0.091 0.000 1.958 335 A HA -0.080 4.240 4.320 -0.001 0.000 0.221 335 A C 2.560 180.202 177.584 0.096 0.000 1.178 335 A CA 2.403 54.509 52.037 0.115 0.000 0.642 335 A CB -0.891 18.198 19.000 0.150 0.000 0.816 335 A HN 0.565 nan 8.150 nan 0.000 0.453 336 V N 0.301 120.262 119.914 0.078 0.000 2.252 336 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 336 V C 2.441 178.594 176.094 0.099 0.000 1.056 336 V CA 2.122 64.467 62.300 0.074 0.000 1.022 336 V CB -0.677 31.181 31.823 0.059 0.000 0.641 336 V HN 0.545 nan 8.190 nan 0.000 0.445 337 I N -0.691 119.962 120.570 0.139 0.000 2.193 337 I HA -0.167 4.002 4.170 -0.001 0.000 0.240 337 I C 2.442 178.753 176.117 0.323 0.000 1.084 337 I CA 1.823 63.275 61.300 0.254 0.000 1.365 337 I CB -0.949 37.196 38.000 0.243 0.000 1.064 337 I HN 0.301 nan 8.210 nan 0.000 0.410 338 M N -0.098 119.642 119.600 0.234 0.000 2.358 338 M HA -0.179 4.300 4.480 -0.001 0.000 0.264 338 M C 1.823 178.180 176.300 0.097 0.000 1.064 338 M CA 1.355 56.776 55.300 0.201 0.000 1.093 338 M CB -0.458 32.200 32.600 0.097 0.000 1.401 338 M HN 0.228 nan 8.290 nan 0.000 0.440 339 E N 0.117 120.342 120.200 0.043 0.000 2.285 339 E HA -0.060 4.290 4.350 -0.001 0.000 0.194 339 E C 2.125 178.662 176.600 -0.105 0.000 0.997 339 E CA 0.653 57.050 56.400 -0.006 0.000 0.845 339 E CB -0.092 29.629 29.700 0.035 0.000 0.782 339 E HN 0.606 nan 8.360 nan 0.000 0.491 340 G N 0.477 109.085 108.800 -0.320 0.000 2.422 340 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.218 340 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.218 340 G C 0.282 174.541 174.900 -1.068 0.000 1.140 340 G CA 0.539 45.092 45.100 -0.911 0.000 0.775 340 G HN 0.032 nan 8.290 nan 0.000 0.545 341 F N -2.907 117.065 119.950 0.036 0.000 2.603 341 F HA 0.511 5.038 4.527 -0.001 0.000 0.317 341 F C -0.787 175.050 175.800 0.061 0.000 1.066 341 F CA -2.017 56.016 58.000 0.056 0.000 0.941 341 F CB 1.185 40.267 39.000 0.138 0.000 1.291 341 F HN -0.096 nan 8.300 nan 0.000 0.472 342 Y N 1.978 122.338 120.300 0.099 0.000 2.336 342 Y HA 0.604 5.154 4.550 -0.001 0.000 0.335 342 Y C -0.833 174.920 175.900 -0.246 0.000 1.046 342 Y CA -1.269 56.798 58.100 -0.055 0.000 1.198 342 Y CB 0.739 39.176 38.460 -0.038 0.000 1.182 342 Y HN 0.305 nan 8.280 nan 0.000 0.502 343 V N 7.532 127.074 119.914 -0.620 0.000 2.376 343 V HA 0.328 4.447 4.120 -0.001 0.000 0.287 343 V C -0.725 174.773 176.094 -0.993 0.000 1.015 343 V CA -1.024 60.731 62.300 -0.909 0.000 0.834 343 V CB 1.289 32.621 31.823 -0.818 0.000 1.001 343 V HN 0.538 nan 8.190 nan 0.000 0.428 344 V N 5.612 124.904 119.914 -1.037 0.000 2.350 344 V HA 0.419 4.538 4.120 -0.001 0.000 0.276 344 V C -0.406 175.206 176.094 -0.803 0.000 1.028 344 V CA -0.274 61.558 62.300 -0.781 0.000 0.860 344 V CB 1.116 32.596 31.823 -0.571 0.000 0.990 344 V HN 0.706 nan 8.190 nan 0.000 0.453 345 F N 2.766 122.232 119.950 -0.807 0.000 2.425 345 F HA 0.288 4.815 4.527 -0.000 0.000 0.354 345 F C 0.808 176.280 175.800 -0.547 0.000 1.162 345 F CA -0.779 56.695 58.000 -0.877 0.000 1.250 345 F CB 0.293 38.252 39.000 -1.735 0.000 1.579 345 F HN 0.432 nan 8.300 nan 0.000 0.589 346 D N 2.362 122.666 120.400 -0.160 0.000 2.551 346 D HA 0.079 4.719 4.640 -0.001 0.000 0.223 346 D C 1.496 177.830 176.300 0.057 0.000 1.144 346 D CA 0.189 54.166 54.000 -0.038 0.000 1.025 346 D CB 0.214 41.003 40.800 -0.018 0.000 1.085 346 D HN 0.405 nan 8.370 nan 0.000 0.506 347 R N 1.545 122.110 120.500 0.108 0.000 2.081 347 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 347 R C 2.177 178.596 176.300 0.199 0.000 1.131 347 R CA 1.413 57.667 56.100 0.258 0.000 0.960 347 R CB -0.121 30.373 30.300 0.323 0.000 0.856 347 R HN 0.373 nan 8.270 nan 0.000 0.436 348 A N 1.255 124.164 122.820 0.148 0.000 1.958 348 A HA -0.190 4.130 4.320 -0.001 0.000 0.221 348 A C 1.611 179.233 177.584 0.062 0.000 1.178 348 A CA 1.468 53.568 52.037 0.106 0.000 0.642 348 A CB -0.265 18.787 19.000 0.087 0.000 0.816 348 A HN 0.251 nan 8.150 nan 0.000 0.453 349 R N -1.244 119.277 120.500 0.036 0.000 2.633 349 R HA 0.209 4.548 4.340 -0.001 0.000 0.348 349 R C -0.550 175.767 176.300 0.028 0.000 1.100 349 R CA -0.226 55.874 56.100 -0.000 0.000 1.068 349 R CB 0.146 30.399 30.300 -0.079 0.000 1.351 349 R HN 0.395 nan 8.270 nan 0.000 0.575 350 K N 1.956 122.406 120.400 0.083 0.000 3.490 350 K HA -0.249 4.071 4.320 -0.001 0.000 0.273 350 K C -0.651 176.020 176.600 0.119 0.000 0.916 350 K CA 1.065 57.421 56.287 0.114 0.000 0.718 350 K CB -1.043 31.498 32.500 0.067 0.000 1.477 350 K HN 0.535 nan 8.250 nan 0.000 0.452 351 R N -1.023 119.551 120.500 0.124 0.000 2.690 351 R HA 0.596 4.936 4.340 -0.001 0.000 0.269 351 R C -1.240 175.122 176.300 0.102 0.000 1.037 351 R CA -1.119 55.060 56.100 0.132 0.000 0.877 351 R CB 1.091 31.449 30.300 0.097 0.000 1.255 351 R HN 0.047 nan 8.270 nan 0.000 0.467 352 I N 1.315 121.946 120.570 0.101 0.000 2.418 352 I HA 0.462 4.632 4.170 -0.001 0.000 0.287 352 I C 0.145 176.224 176.117 -0.065 0.000 1.008 352 I CA -0.717 60.492 61.300 -0.153 0.000 1.104 352 I CB 2.280 40.115 38.000 -0.274 0.000 1.264 352 I HN 0.851 nan 8.210 nan 0.000 0.438 353 G N 5.407 113.976 108.800 -0.385 0.000 2.367 353 G HA2 0.684 4.644 3.960 -0.001 0.000 0.314 353 G HA3 0.684 4.644 3.960 -0.001 0.000 0.314 353 G C -1.243 173.241 174.900 -0.694 0.000 1.130 353 G CA -0.196 44.448 45.100 -0.761 0.000 0.864 353 G HN 0.305 nan 8.290 nan 0.000 0.486 354 F N 0.655 120.302 119.950 -0.506 0.000 2.507 354 F HA 0.708 5.235 4.527 -0.000 0.000 0.325 354 F C 0.410 176.074 175.800 -0.227 0.000 1.116 354 F CA -0.578 57.229 58.000 -0.321 0.000 0.930 354 F CB 2.696 41.552 39.000 -0.241 0.000 1.146 354 F HN 0.686 nan 8.300 nan 0.000 0.447 355 A N 1.925 124.780 122.820 0.059 0.000 2.515 355 A HA 0.710 5.029 4.320 -0.001 0.000 0.298 355 A C -1.255 176.557 177.584 0.381 0.000 1.059 355 A CA -0.855 51.286 52.037 0.174 0.000 0.698 355 A CB 1.149 20.127 19.000 -0.038 0.000 1.289 355 A HN 0.469 nan 8.150 nan 0.000 0.404 356 V N 2.116 122.249 119.914 0.366 0.000 2.506 356 V HA 0.073 4.193 4.120 -0.001 0.000 0.296 356 V C 1.256 177.466 176.094 0.193 0.000 1.004 356 V CA 0.746 63.181 62.300 0.224 0.000 1.150 356 V CB 0.583 32.471 31.823 0.108 0.000 0.911 356 V HN 0.925 nan 8.190 nan 0.000 0.476 357 S N 4.638 120.391 115.700 0.090 0.000 2.531 357 S HA 0.331 4.800 4.470 -0.001 0.000 0.279 357 S C 1.344 176.080 174.600 0.226 0.000 1.305 357 S CA -0.211 58.091 58.200 0.169 0.000 1.058 357 S CB 1.080 64.350 63.200 0.116 0.000 0.899 357 S HN 1.039 nan 8.310 nan 0.000 0.493 358 A N 3.519 126.421 122.820 0.136 0.000 2.259 358 A HA -0.006 4.314 4.320 -0.001 0.000 0.212 358 A C 1.710 179.349 177.584 0.091 0.000 1.178 358 A CA 1.076 53.170 52.037 0.095 0.000 0.734 358 A CB -1.192 17.810 19.000 0.004 0.000 0.774 358 A HN 1.331 nan 8.150 nan 0.000 0.481 359 c N -1.366 117.299 118.600 0.108 0.000 3.512 359 c HA 0.380 4.950 4.570 -0.001 0.000 0.276 359 c C 0.663 174.781 174.090 0.047 0.000 1.592 359 c CA -0.176 56.182 56.329 0.049 0.000 1.803 359 c CB -1.549 40.977 42.510 0.027 0.000 2.996 359 c HN 0.666 nan 8.230 nan 0.000 0.590 360 H N 0.744 119.825 119.070 0.019 0.000 2.607 360 H HA 0.457 5.012 4.556 -0.001 0.000 0.367 360 H C 0.037 175.375 175.328 0.016 0.000 1.181 360 H CA 0.330 56.367 56.048 -0.019 0.000 1.402 360 H CB 1.425 31.129 29.762 -0.096 0.000 1.474 360 H HN 0.531 nan 8.280 nan 0.000 0.596 361 V N 2.140 121.951 119.914 -0.172 0.000 2.222 361 V HA 0.195 4.315 4.120 -0.001 0.000 0.253 361 V C 0.382 176.296 176.094 -0.300 0.000 1.210 361 V CA -0.752 61.391 62.300 -0.261 0.000 1.079 361 V CB -1.279 30.443 31.823 -0.168 0.000 1.265 361 V HN 0.891 nan 8.190 nan 0.000 0.494 362 H N 2.568 121.373 119.070 -0.440 0.000 2.495 362 H HA 0.680 5.235 4.556 -0.001 0.000 0.350 362 H C -0.377 174.817 175.328 -0.222 0.000 1.202 362 H CA -0.209 55.660 56.048 -0.299 0.000 1.322 362 H CB 1.724 31.353 29.762 -0.222 0.000 1.544 362 H HN 0.657 nan 8.280 nan 0.000 0.565 363 D N 0.134 120.471 120.400 -0.105 0.000 2.481 363 D HA 0.050 4.690 4.640 -0.001 0.000 0.283 363 D C 0.644 177.014 176.300 0.116 0.000 1.192 363 D CA -0.583 53.372 54.000 -0.074 0.000 1.100 363 D CB 0.444 41.149 40.800 -0.158 0.000 1.166 363 D HN 0.536 nan 8.370 nan 0.000 0.584 364 E N -2.224 118.101 120.200 0.209 0.000 2.476 364 E HA 0.196 4.545 4.350 -0.001 0.000 0.199 364 E C 0.692 177.568 176.600 0.460 0.000 1.021 364 E CA 0.092 56.687 56.400 0.324 0.000 0.907 364 E CB 0.046 29.930 29.700 0.307 0.000 0.974 364 E HN 0.350 nan 8.360 nan 0.000 0.489 365 F N 0.216 120.204 119.950 0.065 0.000 2.293 365 F HA 0.360 4.886 4.527 -0.001 0.000 0.272 365 F C 1.163 176.993 175.800 0.050 0.000 1.053 365 F CA 0.427 58.461 58.000 0.057 0.000 1.152 365 F CB -0.710 38.328 39.000 0.064 0.000 1.119 365 F HN -0.223 nan 8.300 nan 0.000 0.564 366 R N -0.289 120.377 120.500 0.276 0.000 2.607 366 R HA 0.663 5.003 4.340 -0.001 0.000 0.261 366 R C -0.885 175.484 176.300 0.115 0.000 1.051 366 R CA -0.306 55.885 56.100 0.152 0.000 1.110 366 R CB 1.183 31.550 30.300 0.113 0.000 1.158 366 R HN 0.103 nan 8.270 nan 0.000 0.543 367 T N -0.265 114.341 114.554 0.087 0.000 2.840 367 T HA 0.380 4.730 4.350 -0.001 0.000 0.317 367 T C -1.105 173.630 174.700 0.059 0.000 1.401 367 T CA -0.786 61.375 62.100 0.101 0.000 1.028 367 T CB 1.870 70.747 68.868 0.015 0.000 1.317 367 T HN 0.695 nan 8.240 nan 0.000 0.495 368 A N 1.149 123.972 122.820 0.005 0.000 2.425 368 A HA 0.792 5.112 4.320 -0.001 0.000 0.249 368 A C 0.222 177.758 177.584 -0.081 0.000 1.084 368 A CA -0.182 51.743 52.037 -0.186 0.000 0.781 368 A CB -0.099 18.496 19.000 -0.675 0.000 1.019 368 A HN 1.251 nan 8.150 nan 0.000 0.490 369 A N 1.487 124.356 122.820 0.081 0.000 2.475 369 A HA 0.682 5.001 4.320 -0.001 0.000 0.301 369 A C -1.036 176.648 177.584 0.166 0.000 1.059 369 A CA -0.469 51.630 52.037 0.104 0.000 0.710 369 A CB 1.607 20.636 19.000 0.047 0.000 1.288 369 A HN 1.214 nan 8.150 nan 0.000 0.408 370 V N 1.732 121.722 119.914 0.127 0.000 2.407 370 V HA 0.558 4.677 4.120 -0.001 0.000 0.291 370 V C -0.428 175.625 176.094 -0.068 0.000 1.018 370 V CA -0.265 62.058 62.300 0.039 0.000 0.842 370 V CB 1.099 33.008 31.823 0.143 0.000 0.996 370 V HN 0.982 nan 8.190 nan 0.000 0.426 371 E N 2.185 122.251 120.200 -0.224 0.000 2.340 371 E HA 0.835 5.185 4.350 -0.001 0.000 0.273 371 E C -0.053 176.188 176.600 -0.598 0.000 0.891 371 E CA -0.492 55.734 56.400 -0.289 0.000 0.757 371 E CB 2.759 32.436 29.700 -0.038 0.000 1.231 371 E HN 0.895 nan 8.360 nan 0.000 0.439 372 G N 1.458 109.713 108.800 -0.907 0.000 2.548 372 G HA2 0.537 4.497 3.960 -0.001 0.000 0.301 372 G HA3 0.537 4.497 3.960 -0.001 0.000 0.301 372 G C -2.868 171.744 174.900 -0.479 0.000 1.349 372 G CA -0.838 43.620 45.100 -1.070 0.000 0.792 372 G HN 0.372 nan 8.290 nan 0.000 0.481 373 P HA 0.712 nan 4.420 nan 0.000 0.287 373 P C -1.422 175.629 177.300 -0.415 0.000 1.270 373 P CA -0.487 62.516 63.100 -0.162 0.000 0.844 373 P CB 1.363 33.160 31.700 0.162 0.000 1.068 374 F N -0.561 119.408 119.950 0.033 0.000 2.541 374 F HA 0.416 4.943 4.527 -0.001 0.000 0.331 374 F C 0.340 176.189 175.800 0.083 0.000 1.057 374 F CA -1.080 56.964 58.000 0.074 0.000 0.975 374 F CB 1.599 40.685 39.000 0.144 0.000 1.246 374 F HN -0.073 nan 8.300 nan 0.000 0.484 375 V N 1.549 121.616 119.914 0.255 0.000 2.333 375 V HA 0.400 4.520 4.120 -0.001 0.000 0.274 375 V C -0.648 175.514 176.094 0.112 0.000 1.028 375 V CA -0.145 62.245 62.300 0.151 0.000 0.851 375 V CB 1.090 32.973 31.823 0.101 0.000 1.000 375 V HN 0.793 nan 8.190 nan 0.000 0.456 376 T N 6.991 121.600 114.554 0.092 0.000 2.840 376 T HA 0.565 4.915 4.350 -0.001 0.000 0.287 376 T C -0.353 174.368 174.700 0.036 0.000 0.991 376 T CA -0.395 61.727 62.100 0.037 0.000 0.964 376 T CB 1.133 70.014 68.868 0.023 0.000 0.954 376 T HN 0.282 nan 8.240 nan 0.000 0.438 377 L N 2.713 123.946 121.223 0.016 0.000 2.375 377 L HA 0.401 4.741 4.340 -0.001 0.000 0.271 377 L C 0.224 177.100 176.870 0.011 0.000 1.107 377 L CA -0.517 54.334 54.840 0.017 0.000 0.806 377 L CB 0.417 42.481 42.059 0.010 0.000 1.146 377 L HN 0.691 nan 8.230 nan 0.000 0.447 378 D N 1.463 121.873 120.400 0.016 0.000 2.907 378 D HA -0.207 4.433 4.640 -0.001 0.000 0.226 378 D C 1.083 177.394 176.300 0.018 0.000 1.141 378 D CA 0.764 54.771 54.000 0.012 0.000 0.779 378 D CB -0.765 40.035 40.800 -0.000 0.000 1.095 378 D HN 0.609 nan 8.370 nan 0.000 0.430 379 M N -0.395 119.224 119.600 0.031 0.000 2.202 379 M HA -0.180 4.300 4.480 -0.001 0.000 0.262 379 M C 1.950 178.277 176.300 0.045 0.000 1.063 379 M CA 1.586 56.910 55.300 0.041 0.000 1.097 379 M CB -0.146 32.487 32.600 0.056 0.000 1.382 379 M HN -0.035 nan 8.290 nan 0.000 0.413 380 E N 0.449 120.673 120.200 0.040 0.000 2.338 380 E HA -0.152 4.198 4.350 -0.001 0.000 0.197 380 E C 1.120 177.739 176.600 0.032 0.000 1.007 380 E CA 0.786 57.210 56.400 0.040 0.000 0.849 380 E CB -0.008 29.711 29.700 0.032 0.000 0.774 380 E HN 0.384 nan 8.360 nan 0.000 0.506 381 D N -1.109 119.304 120.400 0.021 0.000 2.347 381 D HA -0.060 4.580 4.640 -0.001 0.000 0.215 381 D C 1.129 177.440 176.300 0.018 0.000 0.976 381 D CA 0.411 54.416 54.000 0.009 0.000 0.884 381 D CB -0.071 40.725 40.800 -0.007 0.000 0.915 381 D HN 0.293 nan 8.370 nan 0.000 0.526 382 c N 0.655 119.277 118.600 0.038 0.000 2.464 382 c HA 0.212 4.782 4.570 -0.001 0.000 0.278 382 c C 1.691 175.839 174.090 0.097 0.000 1.375 382 c CA -0.355 56.007 56.329 0.056 0.000 1.761 382 c CB -0.978 41.576 42.510 0.075 0.000 1.944 382 c HN 0.226 nan 8.230 nan 0.000 0.509 383 G N -0.761 108.100 108.800 0.102 0.000 2.491 383 G HA2 0.343 4.303 3.960 -0.001 0.000 0.242 383 G HA3 0.343 4.303 3.960 -0.001 0.000 0.242 383 G C -0.815 174.185 174.900 0.167 0.000 1.266 383 G CA 0.044 45.230 45.100 0.144 0.000 0.844 383 G HN 0.514 nan 8.290 nan 0.000 0.571 384 Y N 1.586 121.939 120.300 0.089 0.000 2.403 384 Y HA 0.547 5.097 4.550 -0.001 0.000 0.323 384 Y C 0.268 176.210 175.900 0.070 0.000 1.226 384 Y CA -0.699 57.454 58.100 0.088 0.000 1.235 384 Y CB 1.489 40.049 38.460 0.168 0.000 1.248 384 Y HN 0.655 nan 8.280 nan 0.000 0.489 385 N N 0.000 118.285 118.700 -0.691 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 385 N CA 0.000 52.779 53.050 -0.451 0.000 0.885 385 N CB 0.000 38.346 38.487 -0.235 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667