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 2ohs_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 XXXXXXXXXX XXGGSMIIGG 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 0.000 175.838 175.800 0.064 0.000 0.967 -1 F CA 0.000 58.050 58.000 0.083 0.000 1.383 -1 F CB 0.000 39.060 39.000 0.100 0.000 1.145 0 V N 2.342 122.378 119.914 0.204 0.000 2.392 0 V HA -0.273 3.847 4.120 -0.001 0.000 0.249 0 V C 2.517 178.680 176.094 0.116 0.000 1.059 0 V CA 2.597 64.969 62.300 0.121 0.000 1.051 0 V CB -0.510 31.355 31.823 0.070 0.000 0.658 0 V HN 0.447 nan 8.190 nan 0.000 0.455 1 E N 0.016 120.296 120.200 0.133 0.000 2.347 1 E HA -0.188 4.161 4.350 -0.001 0.000 0.196 1 E C 1.841 178.543 176.600 0.171 0.000 1.008 1 E CA 1.334 57.819 56.400 0.141 0.000 0.852 1 E CB -0.242 29.533 29.700 0.125 0.000 0.783 1 E HN 0.618 nan 8.360 nan 0.000 0.505 2 M N 0.814 120.521 119.600 0.179 0.000 2.492 2 M HA 0.131 4.611 4.480 -0.001 0.000 0.255 2 M C 0.533 176.888 176.300 0.091 0.000 1.139 2 M CA -0.081 55.310 55.300 0.153 0.000 1.096 2 M CB 0.845 33.544 32.600 0.165 0.000 1.360 2 M HN -0.216 nan 8.290 nan 0.000 0.480 3 V N 2.587 122.552 119.914 0.084 0.000 2.599 3 V HA -0.103 4.016 4.120 -0.001 0.000 0.300 3 V C 0.582 176.675 176.094 -0.000 0.000 1.034 3 V CA 0.896 63.218 62.300 0.037 0.000 1.115 3 V CB 0.376 32.214 31.823 0.026 0.000 0.934 3 V HN 0.587 nan 8.190 nan 0.000 0.485 4 D N 2.961 123.349 120.400 -0.019 0.000 3.068 4 D HA -0.178 4.462 4.640 -0.001 0.000 0.218 4 D C 0.929 177.179 176.300 -0.084 0.000 1.145 4 D CA 1.093 55.066 54.000 -0.046 0.000 0.896 4 D CB -0.914 39.856 40.800 -0.051 0.000 1.105 4 D HN 0.880 nan 8.370 nan 0.000 0.423 5 N N 0.193 118.854 118.700 -0.064 0.000 2.383 5 N HA 0.031 4.771 4.740 -0.001 0.000 0.192 5 N C 0.294 175.757 175.510 -0.078 0.000 1.141 5 N CA 0.212 53.208 53.050 -0.090 0.000 0.851 5 N CB -0.065 38.424 38.487 0.004 0.000 0.976 5 N HN 0.405 nan 8.380 nan 0.000 0.465 6 L N -0.009 121.166 121.223 -0.080 0.000 2.334 6 L HA 0.566 4.906 4.340 -0.001 0.000 0.273 6 L C 0.262 177.024 176.870 -0.180 0.000 1.013 6 L CA -0.928 53.848 54.840 -0.106 0.000 0.816 6 L CB 1.688 43.742 42.059 -0.008 0.000 1.278 6 L HN -0.090 nan 8.230 nan 0.000 0.431 7 R N 0.890 121.107 120.500 -0.471 0.000 2.854 7 R HA 0.848 5.187 4.340 -0.001 0.000 0.271 7 R C -0.173 175.710 176.300 -0.694 0.000 0.994 7 R CA -0.277 55.484 56.100 -0.564 0.000 0.945 7 R CB 2.048 31.983 30.300 -0.609 0.000 1.194 7 R HN 0.863 nan 8.270 nan 0.000 0.476 8 G N 1.638 110.216 108.800 -0.371 0.000 2.352 8 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.324 8 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.324 8 G C -1.546 173.057 174.900 -0.496 0.000 1.249 8 G CA -0.464 44.457 45.100 -0.297 0.000 1.053 8 G HN 0.610 nan 8.290 nan 0.000 0.492 9 K N -1.427 118.638 120.400 -0.558 0.000 2.509 9 K HA 0.740 5.060 4.320 -0.001 0.000 0.266 9 K C 1.223 177.544 176.600 -0.465 0.000 0.987 9 K CA 0.152 56.160 56.287 -0.466 0.000 0.868 9 K CB 1.100 33.504 32.500 -0.161 0.000 1.421 9 K HN 1.460 nan 8.250 nan 0.000 0.444 10 S N -0.256 115.357 115.700 -0.144 0.000 2.442 10 S HA -0.092 4.377 4.470 -0.001 0.000 0.236 10 S C 1.807 176.422 174.600 0.025 0.000 1.007 10 S CA 1.216 59.456 58.200 0.067 0.000 0.965 10 S CB -0.833 62.459 63.200 0.154 0.000 0.773 10 S HN 0.790 nan 8.310 nan 0.000 0.504 11 G N 1.012 109.806 108.800 -0.010 0.000 2.404 11 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.215 11 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.215 11 G C 1.460 176.374 174.900 0.024 0.000 1.174 11 G CA 0.614 45.717 45.100 0.005 0.000 0.780 11 G HN 0.624 nan 8.290 nan 0.000 0.537 12 Q N -0.319 119.501 119.800 0.033 0.000 2.217 12 Q HA 0.385 4.724 4.340 -0.001 0.000 0.217 12 Q C 0.801 176.955 176.000 0.256 0.000 0.844 12 Q CA 0.145 56.030 55.803 0.137 0.000 0.957 12 Q CB 1.291 30.099 28.738 0.117 0.000 1.127 12 Q HN 0.527 nan 8.270 nan 0.000 0.503 13 G N 0.751 109.597 108.800 0.077 0.000 2.746 13 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.685 13 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.685 13 G C -1.309 173.545 174.900 -0.077 0.000 1.350 13 G CA -0.914 44.207 45.100 0.036 0.000 0.837 13 G HN 0.170 nan 8.290 nan 0.000 0.564 14 Y N 0.158 120.440 120.300 -0.029 0.000 2.377 14 Y HA 0.669 5.219 4.550 -0.001 0.000 0.339 14 Y C 0.652 176.499 175.900 -0.087 0.000 1.011 14 Y CA -0.201 57.853 58.100 -0.077 0.000 1.093 14 Y CB 1.866 40.269 38.460 -0.095 0.000 1.201 14 Y HN 0.789 nan 8.280 nan 0.000 0.455 15 Y N 0.308 120.634 120.300 0.043 0.000 2.536 15 Y HA 0.819 5.369 4.550 -0.001 0.000 0.347 15 Y C -1.634 174.275 175.900 0.014 0.000 1.000 15 Y CA -1.717 56.370 58.100 -0.022 0.000 1.051 15 Y CB 1.047 39.516 38.460 0.016 0.000 1.259 15 Y HN 0.391 nan 8.280 nan 0.000 0.468 16 V N 2.054 122.061 119.914 0.154 0.000 2.680 16 V HA 0.373 4.493 4.120 -0.001 0.000 0.309 16 V C -0.601 175.585 176.094 0.153 0.000 1.052 16 V CA -0.796 61.556 62.300 0.086 0.000 0.908 16 V CB 1.663 33.484 31.823 -0.003 0.000 1.001 16 V HN 0.989 nan 8.190 nan 0.000 0.431 17 E N 5.886 126.183 120.200 0.161 0.000 2.360 17 E HA 0.389 4.739 4.350 -0.001 0.000 0.269 17 E C -0.772 175.877 176.600 0.082 0.000 1.022 17 E CA -0.115 56.377 56.400 0.153 0.000 0.887 17 E CB 0.723 30.541 29.700 0.196 0.000 0.990 17 E HN 0.686 nan 8.360 nan 0.000 0.426 18 M N 2.340 121.974 119.600 0.056 0.000 2.619 18 M HA 0.320 4.800 4.480 -0.001 0.000 0.297 18 M C -0.697 175.623 176.300 0.033 0.000 1.229 18 M CA -1.020 54.287 55.300 0.012 0.000 0.860 18 M CB 2.385 34.968 32.600 -0.029 0.000 1.741 18 M HN 0.520 nan 8.290 nan 0.000 0.462 19 T N -0.395 114.173 114.554 0.023 0.000 2.824 19 T HA 0.781 5.131 4.350 -0.001 0.000 0.282 19 T C -0.715 174.014 174.700 0.048 0.000 0.993 19 T CA -0.732 61.389 62.100 0.035 0.000 0.967 19 T CB 1.336 70.221 68.868 0.027 0.000 0.960 19 T HN 0.423 nan 8.240 nan 0.000 0.441 20 V N 2.332 122.276 119.914 0.051 0.000 2.680 20 V HA 0.904 5.023 4.120 -0.001 0.000 0.309 20 V C 1.003 177.175 176.094 0.131 0.000 1.052 20 V CA 0.249 62.578 62.300 0.049 0.000 0.908 20 V CB 0.783 32.509 31.823 -0.161 0.000 1.001 20 V HN 1.617 nan 8.190 nan 0.000 0.431 21 G N 3.915 112.816 108.800 0.169 0.000 2.760 21 G HA2 -0.025 3.934 3.960 -0.001 0.000 0.246 21 G HA3 -0.025 3.934 3.960 -0.001 0.000 0.246 21 G C -0.404 174.576 174.900 0.133 0.000 1.359 21 G CA -0.250 44.975 45.100 0.209 0.000 0.861 21 G HN 1.162 nan 8.290 nan 0.000 0.541 22 S N 2.012 117.783 115.700 0.118 0.000 2.776 22 S HA 0.664 5.134 4.470 -0.001 0.000 0.284 22 S C -2.519 172.118 174.600 0.063 0.000 1.160 22 S CA -0.556 57.691 58.200 0.078 0.000 1.051 22 S CB 2.749 65.992 63.200 0.072 0.000 1.037 22 S HN 0.776 nan 8.310 nan 0.000 0.485 23 P HA 0.327 nan 4.420 nan 0.000 0.272 23 P C -2.784 174.547 177.300 0.052 0.000 1.240 23 P CA -1.655 61.470 63.100 0.040 0.000 0.791 23 P CB -0.712 31.003 31.700 0.026 0.000 0.978 24 P HA 0.112 nan 4.420 nan 0.000 0.271 24 P C -0.722 176.609 177.300 0.051 0.000 1.216 24 P CA 0.301 63.433 63.100 0.053 0.000 0.771 24 P CB 0.522 32.243 31.700 0.036 0.000 0.864 25 Q N 1.078 120.921 119.800 0.071 0.000 2.322 25 Q HA 0.374 4.714 4.340 -0.001 0.000 0.265 25 Q C -0.357 175.672 176.000 0.049 0.000 0.985 25 Q CA -0.500 55.340 55.803 0.062 0.000 0.849 25 Q CB 1.488 30.294 28.738 0.114 0.000 1.274 25 Q HN 0.349 nan 8.270 nan 0.000 0.449 26 T N 3.689 118.262 114.554 0.031 0.000 2.767 26 T HA 0.570 4.920 4.350 -0.001 0.000 0.288 26 T C -0.357 174.362 174.700 0.032 0.000 0.963 26 T CA -0.339 61.781 62.100 0.033 0.000 1.019 26 T CB 0.312 69.198 68.868 0.030 0.000 0.923 26 T HN 0.320 nan 8.240 nan 0.000 0.468 27 L N 3.183 124.432 121.223 0.044 0.000 2.393 27 L HA 0.547 4.887 4.340 -0.001 0.000 0.260 27 L C -0.451 176.461 176.870 0.070 0.000 1.002 27 L CA -1.288 53.580 54.840 0.046 0.000 0.818 27 L CB 2.039 44.126 42.059 0.046 0.000 1.369 27 L HN 0.413 nan 8.230 nan 0.000 0.412 28 N N 2.490 121.222 118.700 0.054 0.000 2.438 28 N HA 0.583 5.323 4.740 -0.001 0.000 0.282 28 N C -1.113 174.474 175.510 0.129 0.000 1.037 28 N CA -0.321 52.777 53.050 0.081 0.000 0.942 28 N CB 1.814 40.189 38.487 -0.187 0.000 1.136 28 N HN 0.303 nan 8.380 nan 0.000 0.481 29 I N 2.341 123.008 120.570 0.162 0.000 2.499 29 I HA 0.219 4.389 4.170 -0.001 0.000 0.288 29 I C -0.091 175.996 176.117 -0.050 0.000 1.048 29 I CA -0.897 60.453 61.300 0.083 0.000 1.062 29 I CB 1.541 39.601 38.000 0.099 0.000 1.238 29 I HN 0.312 nan 8.210 nan 0.000 0.426 30 L N 7.471 128.466 121.223 -0.381 0.000 2.540 30 L HA 0.117 4.456 4.340 -0.001 0.000 0.276 30 L C -0.251 176.429 176.870 -0.317 0.000 1.212 30 L CA 0.515 54.971 54.840 -0.640 0.000 0.893 30 L CB 0.622 41.866 42.059 -1.359 0.000 1.138 30 L HN 0.351 nan 8.230 nan 0.000 0.491 31 V N 5.300 125.090 119.914 -0.207 0.000 2.368 31 V HA 0.264 4.384 4.120 -0.001 0.000 0.266 31 V C -0.380 175.614 176.094 -0.165 0.000 1.045 31 V CA -0.275 61.917 62.300 -0.179 0.000 0.899 31 V CB 0.917 32.649 31.823 -0.151 0.000 1.006 31 V HN 0.824 nan 8.190 nan 0.000 0.470 32 D N 3.261 123.566 120.400 -0.158 0.000 2.421 32 D HA 0.219 4.859 4.640 -0.001 0.000 0.254 32 D C 0.994 177.263 176.300 -0.052 0.000 1.238 32 D CA -0.178 53.767 54.000 -0.093 0.000 0.919 32 D CB 1.897 42.648 40.800 -0.081 0.000 1.152 32 D HN 0.547 nan 8.370 nan 0.000 0.552 33 T N -0.041 114.492 114.554 -0.035 0.000 3.148 33 T HA 0.170 4.519 4.350 -0.001 0.000 0.253 33 T C 1.451 176.280 174.700 0.215 0.000 1.134 33 T CA 0.342 62.472 62.100 0.050 0.000 1.051 33 T CB 0.165 68.971 68.868 -0.104 0.000 0.959 33 T HN 0.298 nan 8.240 nan 0.000 0.525 34 G N 0.893 109.792 108.800 0.165 0.000 3.284 34 G HA2 0.446 4.406 3.960 -0.001 0.000 0.236 34 G HA3 0.446 4.406 3.960 -0.001 0.000 0.236 34 G C 0.236 175.263 174.900 0.212 0.000 1.158 34 G CA 0.090 45.336 45.100 0.243 0.000 0.774 34 G HN 0.782 nan 8.290 nan 0.000 0.545 35 S N -2.130 113.639 115.700 0.116 0.000 2.625 35 S HA 0.633 5.102 4.470 -0.001 0.000 0.271 35 S C -0.055 174.578 174.600 0.055 0.000 1.161 35 S CA -0.295 57.959 58.200 0.091 0.000 0.820 35 S CB 1.784 65.091 63.200 0.178 0.000 1.137 35 S HN -0.087 nan 8.310 nan 0.000 0.470 36 S N 0.263 116.006 115.700 0.071 0.000 2.733 36 S HA 0.354 4.823 4.470 -0.001 0.000 0.247 36 S C -0.166 174.520 174.600 0.143 0.000 1.043 36 S CA -0.535 57.710 58.200 0.075 0.000 1.066 36 S CB -0.229 62.995 63.200 0.040 0.000 1.045 36 S HN 0.652 nan 8.310 nan 0.000 0.586 37 N N 1.576 120.392 118.700 0.194 0.000 2.456 37 N HA 0.295 5.035 4.740 -0.001 0.000 0.288 37 N C -1.516 174.131 175.510 0.229 0.000 1.059 37 N CA -0.227 52.968 53.050 0.243 0.000 0.946 37 N CB 0.936 39.642 38.487 0.365 0.000 1.150 37 N HN 0.118 nan 8.380 nan 0.000 0.479 38 F N 2.592 122.570 119.950 0.046 0.000 2.375 38 F HA 0.453 4.980 4.527 -0.001 0.000 0.362 38 F C -0.487 175.253 175.800 -0.100 0.000 1.129 38 F CA -1.439 56.535 58.000 -0.044 0.000 1.154 38 F CB -0.193 38.795 39.000 -0.020 0.000 1.205 38 F HN 0.388 nan 8.300 nan 0.000 0.513 39 A N 6.404 128.993 122.820 -0.385 0.000 2.381 39 A HA 0.722 5.042 4.320 -0.001 0.000 0.299 39 A C -1.460 175.807 177.584 -0.528 0.000 1.049 39 A CA -0.419 51.237 52.037 -0.636 0.000 0.715 39 A CB 1.255 19.538 19.000 -1.195 0.000 1.222 39 A HN 1.037 nan 8.150 nan 0.000 0.428 40 V N 0.410 120.057 119.914 -0.444 0.000 2.680 40 V HA 0.912 5.032 4.120 -0.001 0.000 0.309 40 V C 0.482 176.594 176.094 0.029 0.000 1.052 40 V CA -0.198 61.986 62.300 -0.193 0.000 0.908 40 V CB 1.234 32.852 31.823 -0.341 0.000 1.001 40 V HN 1.621 nan 8.190 nan 0.000 0.431 41 G N 2.517 111.457 108.800 0.234 0.000 2.225 41 G HA2 0.455 4.414 3.960 -0.001 0.000 0.245 41 G HA3 0.455 4.414 3.960 -0.001 0.000 0.245 41 G C 0.573 175.590 174.900 0.195 0.000 1.249 41 G CA 0.217 45.465 45.100 0.248 0.000 0.919 41 G HN 1.956 nan 8.290 nan 0.000 0.486 42 A N 1.675 124.579 122.820 0.141 0.000 2.606 42 A HA 0.786 5.106 4.320 -0.001 0.000 0.290 42 A C 0.743 178.315 177.584 -0.019 0.000 1.174 42 A CA 0.705 52.827 52.037 0.141 0.000 0.958 42 A CB 0.133 19.192 19.000 0.099 0.000 1.194 42 A HN 1.902 nan 8.150 nan 0.000 0.526 43 A N 0.301 122.976 122.820 -0.241 0.000 2.604 43 A HA 0.727 5.047 4.320 -0.001 0.000 0.295 43 A C -3.118 173.964 177.584 -0.837 0.000 1.067 43 A CA -1.305 50.411 52.037 -0.534 0.000 0.683 43 A CB 0.879 19.745 19.000 -0.222 0.000 1.281 43 A HN -0.023 nan 8.150 nan 0.000 0.407 44 P HA 0.029 nan 4.420 nan 0.000 0.231 44 P C -0.285 176.831 177.300 -0.307 0.000 1.756 44 P CA 0.177 62.844 63.100 -0.721 0.000 0.990 44 P CB -0.735 30.721 31.700 -0.407 0.000 1.973 45 H N 4.131 122.994 119.070 -0.346 0.000 3.034 45 H HA 0.010 4.566 4.556 -0.001 0.000 0.324 45 H C -1.076 174.096 175.328 -0.262 0.000 1.015 45 H CA -0.937 54.945 56.048 -0.276 0.000 1.429 45 H CB 0.832 30.444 29.762 -0.252 0.000 1.429 45 H HN 0.127 nan 8.280 nan 0.000 0.585 46 P HA -0.171 nan 4.420 nan 0.000 0.219 46 P C 1.164 178.579 177.300 0.190 0.000 1.146 46 P CA 1.001 64.058 63.100 -0.072 0.000 0.808 46 P CB -0.034 31.581 31.700 -0.141 0.000 0.779 47 F N -0.608 119.458 119.950 0.193 0.000 2.661 47 F HA 0.105 4.632 4.527 -0.001 0.000 0.298 47 F C 1.541 177.213 175.800 -0.214 0.000 1.137 47 F CA -0.484 57.494 58.000 -0.035 0.000 1.454 47 F CB -1.187 37.784 39.000 -0.049 0.000 1.103 47 F HN -0.150 nan 8.300 nan 0.000 0.577 48 L N 0.231 121.425 121.223 -0.048 0.000 2.292 48 L HA 0.180 4.519 4.340 -0.001 0.000 0.284 48 L C 1.679 178.507 176.870 -0.071 0.000 1.065 48 L CA -0.365 54.389 54.840 -0.142 0.000 0.806 48 L CB 1.037 42.966 42.059 -0.217 0.000 1.175 48 L HN 0.124 nan 8.230 nan 0.000 0.431 49 H N 2.670 121.698 119.070 -0.071 0.000 2.372 49 H HA 0.117 4.672 4.556 -0.001 0.000 0.301 49 H C 0.300 175.611 175.328 -0.030 0.000 1.065 49 H CA 0.930 56.952 56.048 -0.045 0.000 1.364 49 H CB 0.501 30.221 29.762 -0.070 0.000 1.406 49 H HN 0.519 nan 8.280 nan 0.000 0.521 50 R N -0.389 120.174 120.500 0.105 0.000 2.837 50 R HA 0.378 4.717 4.340 -0.001 0.000 0.271 50 R C -1.470 174.874 176.300 0.075 0.000 0.993 50 R CA -0.754 55.347 56.100 0.003 0.000 0.931 50 R CB 2.321 32.616 30.300 -0.009 0.000 1.206 50 R HN 0.062 nan 8.270 nan 0.000 0.474 51 Y N -1.783 118.514 120.300 -0.005 0.000 2.670 51 Y HA 0.451 5.001 4.550 -0.001 0.000 0.334 51 Y C -1.557 174.387 175.900 0.075 0.000 1.185 51 Y CA -1.572 56.534 58.100 0.010 0.000 1.053 51 Y CB 0.664 39.109 38.460 -0.026 0.000 1.298 51 Y HN 0.503 nan 8.280 nan 0.000 0.459 52 Y N 2.364 122.729 120.300 0.109 0.000 2.393 52 Y HA 0.402 4.952 4.550 -0.001 0.000 0.338 52 Y C -0.560 175.364 175.900 0.040 0.000 1.029 52 Y CA -0.900 57.205 58.100 0.008 0.000 1.239 52 Y CB 1.147 39.589 38.460 -0.029 0.000 1.170 52 Y HN 0.720 nan 8.280 nan 0.000 0.515 53 Q N 6.753 126.404 119.800 -0.248 0.000 2.563 53 Q HA 0.284 4.624 4.340 -0.001 0.000 0.232 53 Q C 1.013 176.632 176.000 -0.635 0.000 1.106 53 Q CA -0.345 55.264 55.803 -0.323 0.000 0.913 53 Q CB 0.846 29.482 28.738 -0.171 0.000 1.175 53 Q HN 0.801 nan 8.270 nan 0.000 0.540 54 R N 0.539 120.444 120.500 -0.992 0.000 2.103 54 R HA -0.195 4.144 4.340 -0.001 0.000 0.242 54 R C 1.560 177.508 176.300 -0.586 0.000 1.142 54 R CA 1.273 56.648 56.100 -1.209 0.000 0.960 54 R CB 0.142 29.631 30.300 -1.353 0.000 0.858 54 R HN 0.478 nan 8.270 nan 0.000 0.439 55 Q N 0.310 119.890 119.800 -0.366 0.000 2.436 55 Q HA 0.001 4.341 4.340 -0.001 0.000 0.209 55 Q C 1.665 177.608 176.000 -0.096 0.000 0.965 55 Q CA 0.873 56.581 55.803 -0.159 0.000 0.910 55 Q CB 0.279 28.951 28.738 -0.110 0.000 0.980 55 Q HN 0.440 nan 8.270 nan 0.000 0.491 56 L N -0.553 120.596 121.223 -0.123 0.000 2.592 56 L HA 0.152 4.492 4.340 -0.001 0.000 0.227 56 L C 0.850 177.707 176.870 -0.021 0.000 1.127 56 L CA -0.088 54.715 54.840 -0.062 0.000 0.884 56 L CB 0.247 42.266 42.059 -0.065 0.000 1.065 56 L HN -0.127 nan 8.230 nan 0.000 0.457 57 S N -0.211 115.481 115.700 -0.014 0.000 2.422 57 S HA 0.161 4.631 4.470 -0.001 0.000 0.308 57 S C 1.280 175.945 174.600 0.109 0.000 1.097 57 S CA -0.502 57.744 58.200 0.077 0.000 1.099 57 S CB 1.143 64.440 63.200 0.162 0.000 0.976 57 S HN 0.338 nan 8.310 nan 0.000 0.471 58 S N 3.043 118.796 115.700 0.088 0.000 2.507 58 S HA -0.093 4.377 4.470 -0.001 0.000 0.235 58 S C 1.385 176.043 174.600 0.098 0.000 0.988 58 S CA 1.170 59.419 58.200 0.081 0.000 0.944 58 S CB -0.641 62.593 63.200 0.056 0.000 0.762 58 S HN 0.843 nan 8.310 nan 0.000 0.526 59 T N -2.936 111.694 114.554 0.128 0.000 3.054 59 T HA 0.248 4.598 4.350 -0.001 0.000 0.255 59 T C 0.177 174.977 174.700 0.166 0.000 1.035 59 T CA -0.621 61.551 62.100 0.120 0.000 0.941 59 T CB -0.588 68.344 68.868 0.107 0.000 1.026 59 T HN 0.376 nan 8.240 nan 0.000 0.533 60 Y N 3.414 123.768 120.300 0.091 0.000 2.511 60 Y HA 0.388 4.938 4.550 -0.001 0.000 0.332 60 Y C 0.155 176.101 175.900 0.077 0.000 1.177 60 Y CA -0.951 57.215 58.100 0.109 0.000 1.422 60 Y CB 0.426 38.941 38.460 0.093 0.000 1.271 60 Y HN 0.061 nan 8.280 nan 0.000 0.550 61 R N 4.863 124.972 120.500 -0.653 0.000 2.451 61 R HA 0.155 4.495 4.340 -0.001 0.000 0.307 61 R C -1.371 174.419 176.300 -0.851 0.000 0.965 61 R CA -1.024 54.750 56.100 -0.544 0.000 0.865 61 R CB 1.096 31.253 30.300 -0.240 0.000 1.174 61 R HN 0.642 nan 8.270 nan 0.000 0.455 62 D N 3.338 123.380 120.400 -0.595 0.000 2.401 62 D HA 0.005 4.644 4.640 -0.001 0.000 0.254 62 D C 0.784 177.002 176.300 -0.136 0.000 1.192 62 D CA 0.152 53.990 54.000 -0.269 0.000 0.885 62 D CB 1.114 41.930 40.800 0.027 0.000 1.147 62 D HN 0.509 nan 8.370 nan 0.000 0.478 63 L N 3.641 124.821 121.223 -0.072 0.000 2.599 63 L HA 0.102 4.442 4.340 -0.001 0.000 0.230 63 L C 0.831 177.710 176.870 0.014 0.000 1.141 63 L CA 0.022 54.850 54.840 -0.019 0.000 0.877 63 L CB -0.140 41.924 42.059 0.008 0.000 1.009 63 L HN 0.452 nan 8.230 nan 0.000 0.447 64 R N 0.577 121.095 120.500 0.031 0.000 3.264 64 R HA -0.192 4.148 4.340 -0.001 0.000 0.251 64 R C -0.154 176.170 176.300 0.040 0.000 0.971 64 R CA 0.595 56.718 56.100 0.039 0.000 0.658 64 R CB -1.614 28.701 30.300 0.024 0.000 1.095 64 R HN 0.238 nan 8.270 nan 0.000 0.443 65 K N -0.118 120.315 120.400 0.054 0.000 2.561 65 K HA 0.410 4.730 4.320 -0.001 0.000 0.254 65 K C -0.196 176.445 176.600 0.069 0.000 0.942 65 K CA -0.110 56.208 56.287 0.050 0.000 0.818 65 K CB 1.746 34.273 32.500 0.045 0.000 1.306 65 K HN 0.178 nan 8.250 nan 0.000 0.435 66 G N 1.439 110.274 108.800 0.058 0.000 2.504 66 G HA2 0.578 4.537 3.960 -0.001 0.000 0.288 66 G HA3 0.578 4.537 3.960 -0.001 0.000 0.288 66 G C -0.754 174.181 174.900 0.059 0.000 1.182 66 G CA -0.505 44.637 45.100 0.069 0.000 0.894 66 G HN 0.335 nan 8.290 nan 0.000 0.521 67 V N -0.697 119.252 119.914 0.059 0.000 2.962 67 V HA 0.643 4.762 4.120 -0.001 0.000 0.313 67 V C -1.370 174.662 176.094 -0.103 0.000 1.099 67 V CA -1.050 61.237 62.300 -0.021 0.000 0.971 67 V CB 1.795 33.597 31.823 -0.036 0.000 1.028 67 V HN 0.747 nan 8.190 nan 0.000 0.430 68 Y N 1.554 121.627 120.300 -0.378 0.000 2.362 68 Y HA 0.727 5.277 4.550 -0.001 0.000 0.326 68 Y C -1.275 174.262 175.900 -0.604 0.000 1.083 68 Y CA -0.659 57.166 58.100 -0.457 0.000 1.073 68 Y CB 2.103 40.407 38.460 -0.259 0.000 1.211 68 Y HN 0.457 nan 8.280 nan 0.000 0.433 69 V N 9.017 128.205 119.914 -1.210 0.000 2.380 69 V HA 0.474 4.594 4.120 -0.001 0.000 0.286 69 V C -2.486 172.955 176.094 -1.088 0.000 1.015 69 V CA -1.555 60.083 62.300 -1.103 0.000 0.834 69 V CB 1.487 32.419 31.823 -1.484 0.000 1.009 69 V HN 0.600 nan 8.190 nan 0.000 0.428 70 P HA 0.566 nan 4.420 nan 0.000 0.290 70 P C -1.546 175.407 177.300 -0.578 0.000 1.283 70 P CA -0.486 62.293 63.100 -0.535 0.000 0.869 70 P CB 1.653 33.260 31.700 -0.155 0.000 1.100 71 Y N -1.160 119.121 120.300 -0.030 0.000 2.730 71 Y HA 0.328 4.877 4.550 -0.001 0.000 0.325 71 Y C 2.402 178.316 175.900 0.024 0.000 1.132 71 Y CA -0.505 57.608 58.100 0.020 0.000 1.206 71 Y CB -0.172 38.321 38.460 0.055 0.000 1.390 71 Y HN 0.180 nan 8.280 nan 0.000 0.555 72 T N -0.378 114.305 114.554 0.215 0.000 2.624 72 T HA -0.265 4.085 4.350 -0.001 0.000 0.268 72 T C 1.262 176.028 174.700 0.111 0.000 1.041 72 T CA 2.169 64.343 62.100 0.122 0.000 1.159 72 T CB -0.190 68.732 68.868 0.091 0.000 0.863 72 T HN 0.558 nan 8.240 nan 0.000 0.434 73 Q N -0.402 119.474 119.800 0.127 0.000 2.139 73 Q HA 0.375 4.715 4.340 -0.001 0.000 0.219 73 Q C 0.416 176.489 176.000 0.123 0.000 0.805 73 Q CA -0.312 55.552 55.803 0.100 0.000 1.024 73 Q CB 0.767 29.548 28.738 0.072 0.000 1.163 73 Q HN 0.509 nan 8.270 nan 0.000 0.485 74 G N 0.391 109.301 108.800 0.183 0.000 2.772 74 G HA2 0.576 4.535 3.960 -0.001 0.000 0.284 74 G HA3 0.576 4.535 3.960 -0.001 0.000 0.284 74 G C -1.718 173.307 174.900 0.209 0.000 1.217 74 G CA -0.576 44.645 45.100 0.201 0.000 0.831 74 G HN 0.121 nan 8.290 nan 0.000 0.523 75 K N -1.464 119.069 120.400 0.221 0.000 2.870 75 K HA 0.447 4.767 4.320 -0.001 0.000 0.290 75 K C -1.464 175.134 176.600 -0.004 0.000 1.070 75 K CA -0.935 55.325 56.287 -0.044 0.000 0.843 75 K CB 0.711 32.959 32.500 -0.421 0.000 1.475 75 K HN 1.152 nan 8.250 nan 0.000 0.359 76 W N 0.608 121.685 121.300 -0.370 0.000 2.882 76 W HA 0.843 5.503 4.660 -0.001 0.000 0.345 76 W C -1.386 174.865 176.519 -0.447 0.000 1.125 76 W CA -0.541 56.503 57.345 -0.502 0.000 1.167 76 W CB 1.628 30.531 29.460 -0.929 0.000 1.431 76 W HN 0.926 nan 8.180 nan 0.000 0.543 77 E N 0.606 120.814 120.200 0.014 0.000 2.390 77 E HA 0.594 4.943 4.350 -0.001 0.000 0.277 77 E C -0.726 176.003 176.600 0.216 0.000 0.939 77 E CA -0.484 55.894 56.400 -0.037 0.000 0.769 77 E CB 2.341 32.033 29.700 -0.013 0.000 1.251 77 E HN 0.897 nan 8.360 nan 0.000 0.450 78 G N 1.731 110.649 108.800 0.197 0.000 2.348 78 G HA2 0.267 4.226 3.960 -0.001 0.000 0.296 78 G HA3 0.267 4.226 3.960 -0.001 0.000 0.296 78 G C -1.677 173.334 174.900 0.185 0.000 1.258 78 G CA -0.663 44.566 45.100 0.215 0.000 0.868 78 G HN 0.436 nan 8.290 nan 0.000 0.488 79 E N -0.233 120.078 120.200 0.185 0.000 2.171 79 E HA 0.676 5.026 4.350 -0.001 0.000 0.271 79 E C -0.501 176.228 176.600 0.215 0.000 0.916 79 E CA -0.603 55.903 56.400 0.176 0.000 0.774 79 E CB 1.352 31.153 29.700 0.168 0.000 1.128 79 E HN 0.477 nan 8.360 nan 0.000 0.403 80 L N 3.282 124.616 121.223 0.185 0.000 2.350 80 L HA 0.820 5.160 4.340 -0.001 0.000 0.275 80 L C 0.742 177.716 176.870 0.174 0.000 1.099 80 L CA -0.224 54.724 54.840 0.179 0.000 0.808 80 L CB 1.450 43.588 42.059 0.131 0.000 1.149 80 L HN 0.716 nan 8.230 nan 0.000 0.442 81 G N 0.317 109.221 108.800 0.173 0.000 2.606 81 G HA2 0.607 4.566 3.960 -0.001 0.000 0.300 81 G HA3 0.607 4.566 3.960 -0.001 0.000 0.300 81 G C -1.285 173.645 174.900 0.050 0.000 1.360 81 G CA -0.201 44.907 45.100 0.012 0.000 0.783 81 G HN 0.547 nan 8.290 nan 0.000 0.484 82 T N -1.917 112.596 114.554 -0.068 0.000 2.907 82 T HA 0.762 5.111 4.350 -0.001 0.000 0.292 82 T C -1.480 173.280 174.700 0.100 0.000 1.043 82 T CA -0.642 61.488 62.100 0.051 0.000 1.003 82 T CB 2.855 71.734 68.868 0.020 0.000 1.084 82 T HN 0.615 nan 8.240 nan 0.000 0.483 83 D N 0.129 120.636 120.400 0.179 0.000 2.639 83 D HA 0.333 4.972 4.640 -0.001 0.000 0.271 83 D C -0.876 175.523 176.300 0.165 0.000 1.254 83 D CA -0.697 53.431 54.000 0.213 0.000 0.810 83 D CB 1.880 42.897 40.800 0.361 0.000 1.351 83 D HN 0.680 nan 8.370 nan 0.000 0.427 84 L N 1.162 122.471 121.223 0.143 0.000 2.367 84 L HA 0.424 4.763 4.340 -0.001 0.000 0.275 84 L C -0.063 176.880 176.870 0.122 0.000 1.129 84 L CA -0.403 54.503 54.840 0.110 0.000 0.839 84 L CB 0.893 43.003 42.059 0.085 0.000 1.133 84 L HN 0.079 nan 8.230 nan 0.000 0.453 85 V N 2.285 122.273 119.914 0.123 0.000 2.914 85 V HA 0.650 4.770 4.120 -0.001 0.000 0.314 85 V C -0.197 175.952 176.094 0.091 0.000 1.084 85 V CA -0.430 61.945 62.300 0.125 0.000 0.963 85 V CB 2.237 34.173 31.823 0.189 0.000 1.025 85 V HN 0.860 nan 8.190 nan 0.000 0.432 86 S N 2.216 117.945 115.700 0.049 0.000 2.596 86 S HA 0.710 5.180 4.470 -0.001 0.000 0.270 86 S C -1.110 173.489 174.600 -0.003 0.000 1.155 86 S CA -0.547 57.672 58.200 0.032 0.000 0.827 86 S CB 1.897 65.109 63.200 0.019 0.000 1.130 86 S HN 0.557 nan 8.310 nan 0.000 0.467 87 I N 2.349 122.921 120.570 0.003 0.000 2.537 87 I HA 0.281 4.451 4.170 -0.001 0.000 0.276 87 I C -2.143 173.966 176.117 -0.014 0.000 1.063 87 I CA -2.141 59.157 61.300 -0.003 0.000 1.144 87 I CB 1.609 39.615 38.000 0.010 0.000 1.252 87 I HN 0.353 nan 8.210 nan 0.000 0.480 88 P HA -0.211 nan 4.420 nan 0.000 0.220 88 P C 0.579 177.681 177.300 -0.330 0.000 1.155 88 P CA 1.704 64.678 63.100 -0.210 0.000 0.880 88 P CB -0.006 31.531 31.700 -0.270 0.000 0.790 89 H N -1.484 117.605 119.070 0.033 0.000 2.533 89 H HA 0.507 5.063 4.556 -0.001 0.000 0.281 89 H C 0.982 176.340 175.328 0.051 0.000 1.238 89 H CA -0.016 56.057 56.048 0.041 0.000 1.024 89 H CB -0.008 29.776 29.762 0.035 0.000 1.604 89 H HN 0.121 nan 8.280 nan 0.000 0.531 90 G N 1.043 109.908 108.800 0.107 0.000 3.243 90 G HA2 0.359 4.318 3.960 -0.001 0.000 0.248 90 G HA3 0.359 4.318 3.960 -0.001 0.000 0.248 90 G C -2.671 172.289 174.900 0.100 0.000 1.267 90 G CA -1.366 43.798 45.100 0.106 0.000 0.906 90 G HN -0.058 nan 8.290 nan 0.000 0.592 91 P HA 0.145 nan 4.420 nan 0.000 0.272 91 P C -0.677 176.651 177.300 0.047 0.000 1.240 91 P CA -0.266 62.887 63.100 0.089 0.000 0.791 91 P CB 0.791 32.541 31.700 0.083 0.000 0.978 92 N N 0.597 119.321 118.700 0.040 0.000 3.331 92 N HA 0.277 5.017 4.740 -0.001 0.000 0.303 92 N C -0.652 174.863 175.510 0.008 0.000 1.326 92 N CA -0.332 52.729 53.050 0.020 0.000 1.207 92 N CB -0.755 37.745 38.487 0.020 0.000 1.477 92 N HN 0.207 nan 8.380 nan 0.000 0.541 93 V N -2.196 117.718 119.914 0.001 0.000 3.159 93 V HA 0.713 4.833 4.120 -0.001 0.000 0.308 93 V C -0.202 175.884 176.094 -0.013 0.000 1.190 93 V CA -0.778 61.512 62.300 -0.017 0.000 1.037 93 V CB 1.799 33.596 31.823 -0.044 0.000 1.060 93 V HN 0.057 nan 8.190 nan 0.000 0.437 94 T N 2.170 116.712 114.554 -0.020 0.000 2.841 94 T HA 0.727 5.077 4.350 -0.001 0.000 0.283 94 T C -0.518 174.165 174.700 -0.028 0.000 1.000 94 T CA -0.206 61.891 62.100 -0.005 0.000 0.977 94 T CB 1.430 70.302 68.868 0.006 0.000 0.979 94 T HN 1.583 nan 8.240 nan 0.000 0.446 95 V N 2.419 122.322 119.914 -0.019 0.000 2.864 95 V HA 0.746 4.865 4.120 -0.001 0.000 0.314 95 V C -0.446 175.648 176.094 0.001 0.000 1.073 95 V CA -1.454 60.809 62.300 -0.061 0.000 0.956 95 V CB 1.908 33.619 31.823 -0.185 0.000 1.023 95 V HN 0.857 nan 8.190 nan 0.000 0.435 96 R N 3.507 124.000 120.500 -0.010 0.000 2.210 96 R HA 0.749 5.089 4.340 -0.001 0.000 0.338 96 R C -0.224 176.098 176.300 0.038 0.000 1.062 96 R CA 0.408 56.527 56.100 0.031 0.000 0.902 96 R CB 0.550 30.861 30.300 0.018 0.000 1.050 96 R HN 1.183 nan 8.270 nan 0.000 0.461 97 A N 4.234 127.123 122.820 0.116 0.000 2.356 97 A HA 0.405 4.724 4.320 -0.001 0.000 0.323 97 A C -0.780 176.926 177.584 0.204 0.000 1.119 97 A CA -1.055 51.081 52.037 0.165 0.000 0.790 97 A CB 1.020 20.214 19.000 0.324 0.000 1.273 97 A HN 0.796 nan 8.150 nan 0.000 0.452 98 N N 0.841 119.658 118.700 0.195 0.000 2.412 98 N HA 0.218 4.958 4.740 -0.001 0.000 0.258 98 N C -0.693 174.991 175.510 0.290 0.000 1.236 98 N CA 0.856 54.029 53.050 0.205 0.000 0.882 98 N CB 0.252 38.845 38.487 0.176 0.000 1.066 98 N HN 0.511 nan 8.380 nan 0.000 0.465 99 I N 0.483 121.180 120.570 0.212 0.000 2.533 99 I HA 0.379 4.548 4.170 -0.001 0.000 0.290 99 I C -0.169 176.000 176.117 0.086 0.000 1.056 99 I CA -1.202 60.139 61.300 0.068 0.000 1.057 99 I CB 1.964 39.942 38.000 -0.037 0.000 1.240 99 I HN 0.308 nan 8.210 nan 0.000 0.423 100 A N 4.722 127.535 122.820 -0.011 0.000 2.260 100 A HA 0.727 5.047 4.320 -0.001 0.000 0.312 100 A C 0.346 177.922 177.584 -0.014 0.000 1.321 100 A CA -0.473 51.610 52.037 0.076 0.000 0.928 100 A CB 0.427 19.523 19.000 0.161 0.000 1.158 100 A HN 0.852 nan 8.150 nan 0.000 0.542 101 A N 4.062 126.958 122.820 0.126 0.000 2.457 101 A HA 0.481 4.801 4.320 -0.001 0.000 0.298 101 A C 0.182 177.829 177.584 0.105 0.000 1.288 101 A CA -0.219 51.899 52.037 0.136 0.000 0.956 101 A CB -0.596 18.503 19.000 0.166 0.000 1.135 101 A HN 0.770 nan 8.150 nan 0.000 0.535 102 I N 3.642 124.237 120.570 0.041 0.000 2.494 102 I HA 0.012 4.182 4.170 -0.001 0.000 0.289 102 I C 1.593 177.773 176.117 0.104 0.000 1.106 102 I CA 0.413 61.755 61.300 0.070 0.000 1.369 102 I CB 0.782 38.758 38.000 -0.039 0.000 1.410 102 I HN 0.833 nan 8.210 nan 0.000 0.523 103 T N 1.249 115.868 114.554 0.108 0.000 3.014 103 T HA 0.167 4.517 4.350 -0.001 0.000 0.250 103 T C 0.364 175.106 174.700 0.069 0.000 1.060 103 T CA -0.166 61.975 62.100 0.068 0.000 1.040 103 T CB 0.305 69.208 68.868 0.059 0.000 0.971 103 T HN 0.661 nan 8.240 nan 0.000 0.497 104 E N 0.728 120.986 120.200 0.096 0.000 2.381 104 E HA 0.496 4.846 4.350 -0.001 0.000 0.286 104 E C -1.550 175.102 176.600 0.087 0.000 0.960 104 E CA -0.657 55.797 56.400 0.091 0.000 0.793 104 E CB 1.795 31.535 29.700 0.067 0.000 1.225 104 E HN 0.296 nan 8.360 nan 0.000 0.420 105 S N 2.717 118.484 115.700 0.112 0.000 2.596 105 S HA 0.629 5.099 4.470 -0.001 0.000 0.270 105 S C -1.631 173.045 174.600 0.126 0.000 1.155 105 S CA -0.916 57.329 58.200 0.074 0.000 0.827 105 S CB 1.877 65.059 63.200 -0.030 0.000 1.130 105 S HN 0.515 nan 8.310 nan 0.000 0.467 106 D N 0.132 120.606 120.400 0.124 0.000 2.616 106 D HA 0.378 5.018 4.640 -0.001 0.000 0.238 106 D C -0.918 175.488 176.300 0.176 0.000 1.354 106 D CA -0.374 53.712 54.000 0.142 0.000 0.970 106 D CB 0.790 41.653 40.800 0.104 0.000 1.369 106 D HN 0.766 nan 8.370 nan 0.000 0.585 107 K N 2.215 122.722 120.400 0.177 0.000 3.117 107 K HA -0.241 4.079 4.320 -0.001 0.000 0.269 107 K C -0.111 176.570 176.600 0.134 0.000 1.098 107 K CA 0.702 57.082 56.287 0.154 0.000 0.785 107 K CB -1.393 31.176 32.500 0.117 0.000 1.242 107 K HN 0.467 nan 8.250 nan 0.000 0.491 108 F N 0.213 120.129 119.950 -0.057 0.000 2.387 108 F HA 0.272 4.798 4.527 -0.001 0.000 0.278 108 F C 0.593 176.277 175.800 -0.193 0.000 1.010 108 F CA 0.037 57.927 58.000 -0.183 0.000 1.236 108 F CB 0.312 39.118 39.000 -0.322 0.000 1.137 108 F HN -0.085 nan 8.300 nan 0.000 0.604 109 F N 2.166 122.101 119.950 -0.024 0.000 2.459 109 F HA 0.260 4.787 4.527 -0.001 0.000 0.346 109 F C 0.134 175.866 175.800 -0.113 0.000 1.128 109 F CA -0.348 57.500 58.000 -0.255 0.000 1.268 109 F CB -0.028 38.811 39.000 -0.268 0.000 1.161 109 F HN -0.204 nan 8.300 nan 0.000 0.583 110 I N 2.833 123.305 120.570 -0.164 0.000 2.321 110 I HA 0.131 4.301 4.170 -0.001 0.000 0.291 110 I C 0.025 175.924 176.117 -0.363 0.000 0.998 110 I CA -0.769 60.402 61.300 -0.215 0.000 1.227 110 I CB 0.840 38.674 38.000 -0.276 0.000 1.368 110 I HN 0.460 nan 8.210 nan 0.000 0.466 111 N N 4.935 123.223 118.700 -0.687 0.000 2.414 111 N HA 0.144 4.884 4.740 -0.001 0.000 0.268 111 N C 0.863 176.065 175.510 -0.513 0.000 1.286 111 N CA 1.577 53.963 53.050 -1.107 0.000 0.896 111 N CB 0.593 38.251 38.487 -1.382 0.000 1.093 111 N HN 0.872 nan 8.380 nan 0.000 0.480 112 G N 1.453 110.031 108.800 -0.370 0.000 2.213 112 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.226 112 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.226 112 G C 0.190 174.998 174.900 -0.154 0.000 0.992 112 G CA 0.295 45.272 45.100 -0.206 0.000 0.632 112 G HN 0.989 nan 8.290 nan 0.000 0.511 113 S N -0.517 115.028 115.700 -0.258 0.000 2.600 113 S HA 0.413 4.883 4.470 -0.001 0.000 0.265 113 S C 0.678 175.123 174.600 -0.257 0.000 1.325 113 S CA 0.447 58.450 58.200 -0.328 0.000 1.002 113 S CB 1.465 64.221 63.200 -0.741 0.000 0.921 113 S HN 0.397 nan 8.310 nan 0.000 0.554 114 N N 1.160 119.665 118.700 -0.325 0.000 2.321 114 N HA 0.164 4.904 4.740 -0.001 0.000 0.242 114 N C -0.685 174.457 175.510 -0.613 0.000 1.141 114 N CA -0.516 52.254 53.050 -0.468 0.000 0.864 114 N CB 0.261 38.504 38.487 -0.406 0.000 1.100 114 N HN 0.816 nan 8.380 nan 0.000 0.510 115 W N -0.237 120.787 121.300 -0.460 0.000 2.864 115 W HA 0.493 5.153 4.660 -0.001 0.000 0.343 115 W C -0.763 175.686 176.519 -0.116 0.000 1.109 115 W CA -0.673 56.444 57.345 -0.380 0.000 1.192 115 W CB 0.712 29.967 29.460 -0.343 0.000 1.426 115 W HN -0.135 nan 8.180 nan 0.000 0.529 116 E N 1.156 121.561 120.200 0.341 0.000 2.676 116 E HA 0.375 4.725 4.350 -0.001 0.000 0.222 116 E C 0.416 177.289 176.600 0.455 0.000 0.968 116 E CA -0.002 56.528 56.400 0.216 0.000 1.090 116 E CB 1.517 31.260 29.700 0.071 0.000 1.066 116 E HN 0.675 nan 8.360 nan 0.000 0.496 117 G N 0.165 109.309 108.800 0.573 0.000 2.550 117 G HA2 0.572 4.532 3.960 -0.001 0.000 0.293 117 G HA3 0.572 4.532 3.960 -0.001 0.000 0.293 117 G C -1.850 173.136 174.900 0.145 0.000 1.402 117 G CA -0.743 44.553 45.100 0.328 0.000 0.784 117 G HN 0.053 nan 8.290 nan 0.000 0.482 118 I N -0.129 120.454 120.570 0.023 0.000 2.534 118 I HA 0.600 4.770 4.170 -0.001 0.000 0.288 118 I C -1.478 174.677 176.117 0.064 0.000 1.077 118 I CA -1.107 60.156 61.300 -0.062 0.000 1.051 118 I CB 1.909 39.902 38.000 -0.012 0.000 1.234 118 I HN 0.444 nan 8.210 nan 0.000 0.425 119 L N 8.245 129.470 121.223 0.004 0.000 2.272 119 L HA 0.610 4.950 4.340 -0.001 0.000 0.284 119 L C 0.184 177.030 176.870 -0.040 0.000 1.045 119 L CA -0.067 54.767 54.840 -0.010 0.000 0.842 119 L CB 0.762 42.689 42.059 -0.220 0.000 1.224 119 L HN 0.644 nan 8.230 nan 0.000 0.430 120 G N 5.420 114.250 108.800 0.050 0.000 2.394 120 G HA2 0.371 4.331 3.960 -0.001 0.000 0.298 120 G HA3 0.371 4.331 3.960 -0.001 0.000 0.298 120 G C 0.505 175.420 174.900 0.025 0.000 1.087 120 G CA -0.384 44.746 45.100 0.050 0.000 1.035 120 G HN 0.737 nan 8.290 nan 0.000 0.420 121 L N 1.964 123.165 121.223 -0.037 0.000 2.592 121 L HA 0.243 4.582 4.340 -0.001 0.000 0.227 121 L C 1.957 178.835 176.870 0.013 0.000 1.127 121 L CA -0.094 54.705 54.840 -0.067 0.000 0.884 121 L CB -0.078 41.789 42.059 -0.321 0.000 1.065 121 L HN 0.566 nan 8.230 nan 0.000 0.457 122 A N -0.875 121.929 122.820 -0.027 0.000 2.260 122 A HA 0.371 4.691 4.320 -0.001 0.000 0.278 122 A C -0.561 176.827 177.584 -0.325 0.000 1.269 122 A CA -0.120 51.745 52.037 -0.286 0.000 0.824 122 A CB 0.026 18.914 19.000 -0.188 0.000 1.238 122 A HN 0.075 nan 8.150 nan 0.000 0.507 123 Y N -1.912 118.290 120.300 -0.163 0.000 2.334 123 Y HA 0.431 4.981 4.550 -0.001 0.000 0.325 123 Y C 1.680 177.576 175.900 -0.006 0.000 1.308 123 Y CA 0.275 58.344 58.100 -0.051 0.000 1.389 123 Y CB 0.776 39.208 38.460 -0.047 0.000 1.328 123 Y HN 0.643 nan 8.280 nan 0.000 0.532 124 A N 0.112 123.064 122.820 0.218 0.000 2.019 124 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 124 A C 1.958 179.609 177.584 0.110 0.000 1.164 124 A CA 1.799 53.918 52.037 0.136 0.000 0.644 124 A CB -0.725 18.348 19.000 0.121 0.000 0.805 124 A HN 0.940 nan 8.150 nan 0.000 0.449 125 E N -0.027 120.249 120.200 0.128 0.000 2.209 125 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 125 E C 1.444 178.109 176.600 0.108 0.000 0.993 125 E CA 1.484 57.951 56.400 0.111 0.000 0.819 125 E CB -0.206 29.573 29.700 0.132 0.000 0.745 125 E HN 0.859 nan 8.360 nan 0.000 0.477 126 I N -2.798 117.811 120.570 0.065 0.000 3.941 126 I HA 0.389 4.559 4.170 -0.001 0.000 0.335 126 I C 0.495 176.616 176.117 0.008 0.000 1.402 126 I CA -0.630 60.666 61.300 -0.007 0.000 1.112 126 I CB 0.494 38.345 38.000 -0.247 0.000 1.043 126 I HN -0.145 nan 8.210 nan 0.000 0.395 127 A N 1.545 124.394 122.820 0.048 0.000 2.425 127 A HA 0.586 4.906 4.320 -0.001 0.000 0.242 127 A C 0.001 177.622 177.584 0.061 0.000 1.077 127 A CA -0.048 52.034 52.037 0.075 0.000 0.781 127 A CB 0.316 19.373 19.000 0.094 0.000 1.020 127 A HN 0.459 nan 8.150 nan 0.000 0.494 128 R N 1.202 121.745 120.500 0.070 0.000 2.711 128 R HA 0.495 4.835 4.340 -0.001 0.000 0.284 128 R C -1.949 174.384 176.300 0.054 0.000 0.968 128 R CA -2.127 53.987 56.100 0.024 0.000 0.924 128 R CB 1.275 31.539 30.300 -0.061 0.000 1.162 128 R HN 0.497 nan 8.270 nan 0.000 0.465 129 P HA -0.030 nan 4.420 nan 0.000 0.227 129 P C -0.836 176.472 177.300 0.014 0.000 1.161 129 P CA 0.916 64.017 63.100 0.003 0.000 0.788 129 P CB 0.416 32.119 31.700 0.006 0.000 0.822 130 D N -1.745 118.674 120.400 0.031 0.000 2.759 130 D HA 0.085 4.725 4.640 -0.001 0.000 0.321 130 D C -0.099 176.230 176.300 0.047 0.000 1.267 130 D CA -0.622 53.399 54.000 0.034 0.000 0.933 130 D CB -0.397 40.419 40.800 0.027 0.000 1.431 130 D HN -0.301 nan 8.370 nan 0.000 0.504 131 D N -0.967 119.461 120.400 0.047 0.000 2.336 131 D HA -0.035 4.604 4.640 -0.001 0.000 0.229 131 D C 1.039 177.372 176.300 0.055 0.000 1.061 131 D CA 0.505 54.539 54.000 0.056 0.000 0.875 131 D CB -0.383 40.448 40.800 0.053 0.000 0.904 131 D HN 0.282 nan 8.370 nan 0.000 0.525 132 S N -0.641 115.088 115.700 0.049 0.000 2.548 132 S HA 0.056 4.526 4.470 -0.001 0.000 0.215 132 S C 0.787 175.421 174.600 0.056 0.000 0.976 132 S CA -0.629 57.599 58.200 0.046 0.000 0.908 132 S CB -0.366 62.856 63.200 0.035 0.000 0.781 132 S HN 0.170 nan 8.310 nan 0.000 0.519 133 L N 3.561 124.825 121.223 0.068 0.000 2.385 133 L HA 0.356 4.696 4.340 -0.001 0.000 0.285 133 L C 0.249 177.177 176.870 0.096 0.000 1.125 133 L CA -0.196 54.695 54.840 0.085 0.000 0.890 133 L CB -0.155 41.966 42.059 0.103 0.000 1.251 133 L HN 0.309 nan 8.230 nan 0.000 0.445 134 E N 6.516 126.767 120.200 0.084 0.000 2.498 134 E HA 0.067 4.416 4.350 -0.001 0.000 0.252 134 E C -2.139 174.524 176.600 0.105 0.000 1.025 134 E CA -1.293 55.155 56.400 0.081 0.000 0.938 134 E CB 0.525 30.256 29.700 0.052 0.000 0.947 134 E HN 0.437 nan 8.360 nan 0.000 0.478 135 P HA -0.037 nan 4.420 nan 0.000 0.272 135 P C -0.028 177.355 177.300 0.139 0.000 1.240 135 P CA -0.255 62.935 63.100 0.150 0.000 0.791 135 P CB 0.377 32.158 31.700 0.135 0.000 0.978 136 F N 1.205 121.174 119.950 0.032 0.000 2.069 136 F HA -0.225 4.301 4.527 -0.001 0.000 0.298 136 F C 2.042 177.807 175.800 -0.057 0.000 1.113 136 F CA 1.553 59.515 58.000 -0.062 0.000 1.214 136 F CB -0.884 37.984 39.000 -0.221 0.000 0.978 136 F HN 0.190 nan 8.300 nan 0.000 0.474 137 F N 1.403 121.270 119.950 -0.139 0.000 2.161 137 F HA -0.193 4.333 4.527 -0.001 0.000 0.300 137 F C 1.991 177.674 175.800 -0.196 0.000 1.089 137 F CA 2.110 59.984 58.000 -0.210 0.000 1.282 137 F CB -0.640 38.342 39.000 -0.031 0.000 1.010 137 F HN 0.037 nan 8.300 nan 0.000 0.485 138 D N -0.872 119.547 120.400 0.033 0.000 2.117 138 D HA -0.171 4.468 4.640 -0.001 0.000 0.197 138 D C 2.409 178.630 176.300 -0.131 0.000 0.987 138 D CA 1.705 55.713 54.000 0.013 0.000 0.829 138 D CB -0.402 40.440 40.800 0.071 0.000 0.961 138 D HN 0.154 nan 8.370 nan 0.000 0.460 139 S N 0.233 115.801 115.700 -0.220 0.000 2.356 139 S HA -0.126 4.344 4.470 -0.001 0.000 0.223 139 S C 1.811 176.179 174.600 -0.387 0.000 1.032 139 S CA 0.392 58.435 58.200 -0.262 0.000 1.005 139 S CB -0.376 62.676 63.200 -0.245 0.000 0.867 139 S HN 0.175 nan 8.310 nan 0.000 0.449 140 L N 2.119 122.943 121.223 -0.665 0.000 1.990 140 L HA -0.101 4.239 4.340 -0.001 0.000 0.213 140 L C 2.214 178.814 176.870 -0.450 0.000 1.072 140 L CA 1.741 56.176 54.840 -0.675 0.000 0.755 140 L CB -0.766 40.680 42.059 -1.021 0.000 0.889 140 L HN 0.151 nan 8.230 nan 0.000 0.432 141 V N -0.397 119.266 119.914 -0.418 0.000 2.358 141 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 141 V C 2.611 178.627 176.094 -0.130 0.000 1.047 141 V CA 1.924 64.095 62.300 -0.215 0.000 1.035 141 V CB -0.709 31.066 31.823 -0.081 0.000 0.658 141 V HN 0.446 nan 8.190 nan 0.000 0.452 142 K N -0.183 120.142 120.400 -0.125 0.000 2.097 142 K HA -0.179 4.140 4.320 -0.001 0.000 0.206 142 K C 1.955 178.487 176.600 -0.114 0.000 1.049 142 K CA 1.470 57.705 56.287 -0.086 0.000 0.933 142 K CB -0.103 32.355 32.500 -0.069 0.000 0.717 142 K HN 0.560 nan 8.250 nan 0.000 0.442 143 Q N -0.082 119.621 119.800 -0.161 0.000 2.282 143 Q HA 0.020 4.360 4.340 -0.001 0.000 0.206 143 Q C 0.224 176.090 176.000 -0.224 0.000 0.878 143 Q CA 0.206 55.910 55.803 -0.165 0.000 0.944 143 Q CB 1.162 29.810 28.738 -0.150 0.000 1.100 143 Q HN 0.263 nan 8.270 nan 0.000 0.509 144 T N -4.003 110.395 114.554 -0.261 0.000 2.812 144 T HA 0.264 4.613 4.350 -0.001 0.000 0.294 144 T C -0.041 174.457 174.700 -0.336 0.000 1.159 144 T CA -0.838 61.065 62.100 -0.328 0.000 1.008 144 T CB 1.106 69.849 68.868 -0.208 0.000 1.289 144 T HN 0.015 nan 8.240 nan 0.000 0.514 145 H N -0.229 118.824 119.070 -0.027 0.000 2.519 145 H HA 0.367 4.922 4.556 -0.001 0.000 0.289 145 H C 0.345 175.678 175.328 0.010 0.000 1.040 145 H CA -0.200 55.845 56.048 -0.006 0.000 1.165 145 H CB -0.326 29.438 29.762 0.004 0.000 1.462 145 H HN 0.317 nan 8.280 nan 0.000 0.555 146 V N 3.922 123.867 119.914 0.052 0.000 2.485 146 V HA 0.022 4.141 4.120 -0.001 0.000 0.287 146 V C -1.714 174.431 176.094 0.084 0.000 1.022 146 V CA -1.103 61.231 62.300 0.057 0.000 1.067 146 V CB 0.530 32.332 31.823 -0.036 0.000 0.967 146 V HN 0.135 nan 8.190 nan 0.000 0.479 147 P HA 0.018 nan 4.420 nan 0.000 0.268 147 P C 0.015 177.450 177.300 0.226 0.000 1.208 147 P CA -0.110 63.087 63.100 0.162 0.000 0.777 147 P CB 0.315 32.117 31.700 0.170 0.000 0.875 148 N N 2.313 121.151 118.700 0.229 0.000 3.259 148 N HA 0.172 4.912 4.740 -0.001 0.000 0.308 148 N C -0.705 174.998 175.510 0.322 0.000 1.334 148 N CA -0.065 53.196 53.050 0.352 0.000 1.202 148 N CB -1.163 37.478 38.487 0.257 0.000 1.485 148 N HN 0.308 nan 8.380 nan 0.000 0.549 149 L N -1.985 119.446 121.223 0.347 0.000 2.600 149 L HA 0.827 5.167 4.340 -0.001 0.000 0.257 149 L C -1.464 175.533 176.870 0.212 0.000 1.048 149 L CA -1.205 53.706 54.840 0.119 0.000 0.869 149 L CB 1.575 43.640 42.059 0.010 0.000 1.482 149 L HN -0.018 nan 8.230 nan 0.000 0.408 150 F N -0.832 119.041 119.950 -0.128 0.000 2.668 150 F HA 0.909 5.436 4.527 -0.000 0.000 0.309 150 F C -0.936 174.783 175.800 -0.134 0.000 1.117 150 F CA -0.466 57.457 58.000 -0.128 0.000 0.951 150 F CB 1.487 40.355 39.000 -0.220 0.000 1.323 150 F HN 0.718 nan 8.300 nan 0.000 0.451 151 S N 1.512 117.220 115.700 0.014 0.000 2.548 151 S HA 0.868 5.337 4.470 -0.001 0.000 0.286 151 S C -1.545 173.051 174.600 -0.006 0.000 1.098 151 S CA -0.860 57.220 58.200 -0.201 0.000 0.930 151 S CB 1.967 64.831 63.200 -0.561 0.000 1.070 151 S HN 0.850 nan 8.310 nan 0.000 0.480 152 L N 1.765 122.955 121.223 -0.055 0.000 2.356 152 L HA 0.553 4.892 4.340 -0.001 0.000 0.277 152 L C -0.346 176.587 176.870 0.105 0.000 0.996 152 L CA -0.407 54.461 54.840 0.047 0.000 0.822 152 L CB 1.998 44.086 42.059 0.049 0.000 1.256 152 L HN 0.743 nan 8.230 nan 0.000 0.413 153 Q N 4.846 124.745 119.800 0.165 0.000 2.425 153 Q HA 0.463 4.803 4.340 -0.001 0.000 0.254 153 Q C -1.486 174.472 176.000 -0.070 0.000 1.032 153 Q CA -0.546 55.340 55.803 0.138 0.000 0.798 153 Q CB 1.177 29.997 28.738 0.137 0.000 1.210 153 Q HN 0.611 nan 8.270 nan 0.000 0.491 154 L N 3.657 124.776 121.223 -0.173 0.000 2.265 154 L HA 0.363 4.702 4.340 -0.001 0.000 0.288 154 L C 0.243 177.036 176.870 -0.129 0.000 1.058 154 L CA -0.622 53.957 54.840 -0.436 0.000 0.809 154 L CB 0.856 42.506 42.059 -0.681 0.000 1.179 154 L HN 0.781 nan 8.230 nan 0.000 0.429 155 c N 1.378 119.982 118.600 0.008 0.000 2.792 155 c HA 0.642 5.212 4.570 -0.001 0.000 0.086 155 c C 1.278 175.465 174.090 0.161 0.000 2.339 155 c CA 0.452 56.831 56.329 0.082 0.000 1.394 155 c CB -0.430 42.111 42.510 0.052 0.000 2.306 155 c HN 1.011 nan 8.230 nan 0.000 0.400 156 G N 0.443 109.325 108.800 0.138 0.000 3.147 156 G HA2 0.321 4.280 3.960 -0.001 0.000 0.605 156 G HA3 0.321 4.280 3.960 -0.001 0.000 0.605 156 G C 0.126 175.066 174.900 0.066 0.000 1.632 156 G CA 0.171 45.328 45.100 0.094 0.000 1.148 156 G HN 2.604 nan 8.290 nan 0.000 0.587 172 G N -1.074 107.769 108.800 0.071 0.000 2.320 172 G HA2 0.568 4.528 3.960 -0.001 0.000 0.296 172 G HA3 0.568 4.528 3.960 -0.001 0.000 0.296 172 G C -1.649 173.236 174.900 -0.024 0.000 1.306 172 G CA 0.640 45.738 45.100 -0.003 0.000 0.836 172 G HN 1.248 nan 8.290 nan 0.000 0.517 173 S N -0.325 115.360 115.700 -0.025 0.000 2.538 173 S HA 0.692 5.162 4.470 -0.001 0.000 0.288 173 S C -0.510 174.106 174.600 0.027 0.000 1.108 173 S CA -0.532 57.672 58.200 0.006 0.000 0.971 173 S CB 1.761 64.977 63.200 0.026 0.000 1.041 173 S HN 0.795 nan 8.310 nan 0.000 0.483 174 M N 4.512 124.127 119.600 0.024 0.000 2.043 174 M HA 0.468 4.947 4.480 -0.001 0.000 0.322 174 M C -1.692 174.641 176.300 0.056 0.000 0.962 174 M CA -0.688 54.633 55.300 0.036 0.000 0.927 174 M CB 0.219 32.806 32.600 -0.022 0.000 1.466 174 M HN 0.484 nan 8.290 nan 0.000 0.412 175 I N 6.707 127.315 120.570 0.064 0.000 2.301 175 I HA 0.265 4.435 4.170 -0.001 0.000 0.292 175 I C -0.154 175.966 176.117 0.005 0.000 1.046 175 I CA -0.246 61.035 61.300 -0.030 0.000 1.282 175 I CB 0.243 38.147 38.000 -0.160 0.000 1.409 175 I HN 0.722 nan 8.210 nan 0.000 0.484 176 I N 5.343 125.951 120.570 0.064 0.000 2.315 176 I HA 0.406 4.576 4.170 -0.001 0.000 0.291 176 I C 1.133 177.349 176.117 0.164 0.000 1.006 176 I CA 0.074 61.495 61.300 0.202 0.000 1.265 176 I CB 1.284 39.410 38.000 0.212 0.000 1.387 176 I HN 0.870 nan 8.210 nan 0.000 0.475 177 G N 3.826 112.764 108.800 0.230 0.000 2.176 177 G HA2 -0.041 3.918 3.960 -0.001 0.000 0.232 177 G HA3 -0.041 3.918 3.960 -0.001 0.000 0.232 177 G C 0.217 175.206 174.900 0.150 0.000 0.986 177 G CA -0.241 44.992 45.100 0.222 0.000 0.643 177 G HN 1.208 nan 8.290 nan 0.000 0.522 178 G N -1.122 107.625 108.800 -0.089 0.000 2.392 178 G HA2 0.567 4.527 3.960 -0.001 0.000 0.260 178 G HA3 0.567 4.527 3.960 -0.001 0.000 0.260 178 G C -1.671 173.096 174.900 -0.222 0.000 1.226 178 G CA -0.157 44.883 45.100 -0.100 0.000 0.913 178 G HN 0.857 nan 8.290 nan 0.000 0.483 179 I N 0.849 121.386 120.570 -0.057 0.000 2.582 179 I HA 0.395 4.565 4.170 -0.001 0.000 0.292 179 I C -1.604 174.689 176.117 0.293 0.000 1.066 179 I CA -0.640 60.760 61.300 0.166 0.000 1.053 179 I CB 2.469 40.611 38.000 0.237 0.000 1.241 179 I HN 0.371 nan 8.210 nan 0.000 0.421 180 D N 4.855 125.452 120.400 0.328 0.000 2.414 180 D HA 0.133 4.772 4.640 -0.001 0.000 0.232 180 D C 1.258 177.638 176.300 0.134 0.000 1.070 180 D CA -0.231 53.925 54.000 0.262 0.000 0.839 180 D CB 0.822 41.695 40.800 0.120 0.000 1.079 180 D HN 0.607 nan 8.370 nan 0.000 0.521 181 H N 2.275 121.396 119.070 0.085 0.000 2.426 181 H HA -0.157 4.399 4.556 -0.001 0.000 0.298 181 H C 1.122 176.203 175.328 -0.412 0.000 1.107 181 H CA 1.706 57.633 56.048 -0.201 0.000 1.298 181 H CB -0.283 29.399 29.762 -0.133 0.000 1.377 181 H HN 0.296 nan 8.280 nan 0.000 0.519 182 S N 0.633 115.714 115.700 -1.031 0.000 2.555 182 S HA 0.058 4.528 4.470 -0.001 0.000 0.230 182 S C 2.001 176.324 174.600 -0.463 0.000 0.978 182 S CA 0.276 57.992 58.200 -0.808 0.000 0.934 182 S CB -0.484 62.319 63.200 -0.662 0.000 0.766 182 S HN 0.429 nan 8.310 nan 0.000 0.533 183 L N 0.332 121.274 121.223 -0.469 0.000 2.592 183 L HA 0.333 4.673 4.340 -0.001 0.000 0.227 183 L C 0.303 176.975 176.870 -0.330 0.000 1.127 183 L CA -0.184 54.373 54.840 -0.470 0.000 0.884 183 L CB -0.273 41.294 42.059 -0.819 0.000 1.065 183 L HN 0.600 nan 8.230 nan 0.000 0.457 184 Y N -2.267 117.828 120.300 -0.341 0.000 2.588 184 Y HA 0.648 5.198 4.550 -0.001 0.000 0.343 184 Y C -0.297 175.569 175.900 -0.057 0.000 1.065 184 Y CA -1.374 56.645 58.100 -0.135 0.000 1.038 184 Y CB 0.954 39.410 38.460 -0.007 0.000 1.297 184 Y HN -0.090 nan 8.280 nan 0.000 0.467 185 T N -0.631 113.980 114.554 0.095 0.000 2.950 185 T HA 0.795 5.144 4.350 -0.001 0.000 0.288 185 T C 0.526 175.352 174.700 0.211 0.000 1.035 185 T CA -0.234 61.893 62.100 0.045 0.000 1.028 185 T CB 1.051 69.938 68.868 0.032 0.000 1.109 185 T HN 2.179 nan 8.240 nan 0.000 0.514 186 G N 0.954 109.846 108.800 0.154 0.000 2.601 186 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.252 186 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.252 186 G C -0.039 175.038 174.900 0.294 0.000 1.294 186 G CA -0.082 45.135 45.100 0.195 0.000 0.912 186 G HN 1.344 nan 8.290 nan 0.000 0.574 187 S N -1.257 114.599 115.700 0.260 0.000 2.593 187 S HA 0.688 5.157 4.470 -0.001 0.000 0.297 187 S C 0.314 174.961 174.600 0.079 0.000 1.112 187 S CA -0.610 57.699 58.200 0.181 0.000 1.043 187 S CB 0.969 64.208 63.200 0.064 0.000 1.054 187 S HN 0.754 nan 8.310 nan 0.000 0.516 188 L N 3.733 124.854 121.223 -0.170 0.000 2.319 188 L HA 0.330 4.670 4.340 -0.001 0.000 0.280 188 L C -1.018 175.522 176.870 -0.549 0.000 1.099 188 L CA -0.256 54.342 54.840 -0.404 0.000 0.828 188 L CB 0.430 42.152 42.059 -0.561 0.000 1.150 188 L HN 0.695 nan 8.230 nan 0.000 0.442 189 W N 3.000 123.912 121.300 -0.646 0.000 2.627 189 W HA 0.441 5.101 4.660 -0.001 0.000 0.339 189 W C -0.712 175.191 176.519 -1.027 0.000 1.058 189 W CA -0.231 56.564 57.345 -0.917 0.000 1.223 189 W CB 1.020 29.546 29.460 -1.555 0.000 1.389 189 W HN 0.191 nan 8.180 nan 0.000 0.541 190 Y N 1.160 121.248 120.300 -0.353 0.000 2.352 190 Y HA 0.480 5.029 4.550 -0.001 0.000 0.339 190 Y C 0.488 176.566 175.900 0.295 0.000 0.992 190 Y CA -0.796 57.279 58.100 -0.041 0.000 1.100 190 Y CB 2.161 40.578 38.460 -0.071 0.000 1.192 190 Y HN 0.159 nan 8.280 nan 0.000 0.458 191 T N 5.117 120.004 114.554 0.555 0.000 2.855 191 T HA 0.512 4.862 4.350 -0.001 0.000 0.281 191 T C -2.863 172.022 174.700 0.308 0.000 1.007 191 T CA -2.660 59.730 62.100 0.483 0.000 1.009 191 T CB 1.022 70.127 68.868 0.395 0.000 0.983 191 T HN 0.237 nan 8.240 nan 0.000 0.455 192 P HA 0.302 nan 4.420 nan 0.000 0.276 192 P C -0.444 176.970 177.300 0.190 0.000 1.230 192 P CA -0.277 62.932 63.100 0.182 0.000 0.776 192 P CB 0.245 32.031 31.700 0.143 0.000 0.888 193 I N 3.612 124.300 120.570 0.196 0.000 2.517 193 I HA 0.072 4.241 4.170 -0.001 0.000 0.285 193 I C 1.971 178.192 176.117 0.173 0.000 1.106 193 I CA 0.171 61.610 61.300 0.232 0.000 1.402 193 I CB 0.489 38.657 38.000 0.281 0.000 1.399 193 I HN 0.433 nan 8.210 nan 0.000 0.535 194 R N 5.593 126.210 120.500 0.194 0.000 2.093 194 R HA 0.083 4.422 4.340 -0.001 0.000 0.224 194 R C 0.657 177.021 176.300 0.107 0.000 1.101 194 R CA 0.819 57.010 56.100 0.151 0.000 0.979 194 R CB 0.343 30.754 30.300 0.184 0.000 0.877 194 R HN 0.626 nan 8.270 nan 0.000 0.441 195 R N 0.189 120.782 120.500 0.154 0.000 2.566 195 R HA 0.111 4.450 4.340 -0.001 0.000 0.271 195 R C -1.659 174.697 176.300 0.094 0.000 1.071 195 R CA -0.451 55.669 56.100 0.032 0.000 0.915 195 R CB 1.573 31.787 30.300 -0.144 0.000 1.228 195 R HN -0.008 nan 8.270 nan 0.000 0.449 196 E N 5.063 125.141 120.200 -0.203 0.000 1.814 196 E HA 0.089 4.439 4.350 -0.001 0.000 0.264 196 E C -0.329 176.188 176.600 -0.138 0.000 1.179 196 E CA -0.013 55.968 56.400 -0.697 0.000 0.972 196 E CB 0.247 29.212 29.700 -1.224 0.000 1.077 196 E HN 0.522 nan 8.360 nan 0.000 0.417 197 W N 1.904 123.163 121.300 -0.068 0.000 4.502 197 W HA 0.173 4.833 4.660 -0.001 0.000 0.167 197 W C -0.353 176.134 176.519 -0.053 0.000 3.449 197 W CA -0.331 57.009 57.345 -0.008 0.000 1.214 197 W CB -0.594 28.838 29.460 -0.047 0.000 2.088 197 W HN 0.047 nan 8.180 nan 0.000 0.386 198 Y N 0.962 121.048 120.300 -0.357 0.000 2.260 198 Y HA 0.220 4.770 4.550 -0.001 0.000 0.339 198 Y C 0.071 175.932 175.900 -0.066 0.000 1.317 198 Y CA -0.055 57.861 58.100 -0.307 0.000 1.514 198 Y CB -0.031 38.112 38.460 -0.529 0.000 1.382 198 Y HN -0.138 nan 8.280 nan 0.000 0.581 199 Y N 0.877 121.383 120.300 0.344 0.000 2.570 199 Y HA 0.078 4.627 4.550 -0.001 0.000 0.336 199 Y C 0.539 176.608 175.900 0.281 0.000 1.284 199 Y CA -0.387 57.931 58.100 0.364 0.000 1.761 199 Y CB -0.620 38.063 38.460 0.373 0.000 1.724 199 Y HN 0.428 nan 8.280 nan 0.000 0.455 200 E N 2.341 122.773 120.200 0.386 0.000 2.338 200 E HA 0.426 4.776 4.350 -0.001 0.000 0.272 200 E C -0.633 176.137 176.600 0.283 0.000 1.029 200 E CA -0.485 56.106 56.400 0.319 0.000 0.872 200 E CB 0.808 30.782 29.700 0.457 0.000 1.015 200 E HN 0.391 nan 8.360 nan 0.000 0.417 201 V N 1.768 121.809 119.914 0.212 0.000 3.158 201 V HA 0.620 4.740 4.120 -0.001 0.000 0.311 201 V C -0.496 175.674 176.094 0.128 0.000 1.181 201 V CA -0.991 61.410 62.300 0.168 0.000 1.054 201 V CB 1.715 33.624 31.823 0.144 0.000 1.085 201 V HN 0.600 nan 8.190 nan 0.000 0.446 202 I N 1.967 122.592 120.570 0.092 0.000 2.389 202 I HA 0.473 4.643 4.170 -0.001 0.000 0.288 202 I C -0.744 175.383 176.117 0.016 0.000 0.999 202 I CA -0.410 60.937 61.300 0.078 0.000 1.129 202 I CB 1.787 39.841 38.000 0.090 0.000 1.288 202 I HN 0.512 nan 8.210 nan 0.000 0.444 203 I N 6.758 127.346 120.570 0.030 0.000 2.325 203 I HA 0.091 4.261 4.170 -0.001 0.000 0.291 203 I C 1.173 177.331 176.117 0.068 0.000 1.019 203 I CA -0.230 61.053 61.300 -0.029 0.000 1.302 203 I CB 1.595 39.556 38.000 -0.066 0.000 1.401 203 I HN 0.504 nan 8.210 nan 0.000 0.485 204 V N 3.058 122.981 119.914 0.014 0.000 3.660 204 V HA 0.390 4.510 4.120 -0.001 0.000 0.276 204 V C 0.564 176.690 176.094 0.053 0.000 1.317 204 V CA 0.133 62.469 62.300 0.060 0.000 1.097 204 V CB -0.211 31.620 31.823 0.013 0.000 0.863 204 V HN 0.880 nan 8.190 nan 0.000 0.438 205 R N -0.607 119.863 120.500 -0.050 0.000 2.725 205 R HA 0.621 4.961 4.340 -0.001 0.000 0.254 205 R C -2.564 173.566 176.300 -0.284 0.000 1.076 205 R CA -0.360 55.646 56.100 -0.156 0.000 0.940 205 R CB 2.378 32.394 30.300 -0.473 0.000 1.260 205 R HN 0.039 nan 8.270 nan 0.000 0.466 206 V N 2.715 122.413 119.914 -0.360 0.000 2.709 206 V HA 0.534 4.653 4.120 -0.001 0.000 0.308 206 V C -0.749 175.278 176.094 -0.112 0.000 1.062 206 V CA -0.660 61.448 62.300 -0.321 0.000 0.901 206 V CB 2.131 33.575 31.823 -0.633 0.000 1.003 206 V HN 0.796 nan 8.190 nan 0.000 0.425 207 E N 3.272 123.448 120.200 -0.040 0.000 2.343 207 E HA 0.685 5.034 4.350 -0.001 0.000 0.270 207 E C -1.573 175.025 176.600 -0.003 0.000 0.895 207 E CA -0.743 55.655 56.400 -0.004 0.000 0.767 207 E CB 3.100 32.831 29.700 0.052 0.000 1.248 207 E HN 0.528 nan 8.360 nan 0.000 0.440 208 I N 2.135 122.712 120.570 0.012 0.000 2.468 208 I HA 0.211 4.381 4.170 -0.001 0.000 0.285 208 I C -0.168 175.978 176.117 0.048 0.000 1.039 208 I CA -0.286 61.034 61.300 0.034 0.000 1.074 208 I CB 1.239 39.256 38.000 0.029 0.000 1.228 208 I HN 0.648 nan 8.210 nan 0.000 0.436 209 N N 4.622 123.363 118.700 0.068 0.000 2.696 209 N HA -0.254 4.486 4.740 -0.001 0.000 0.249 209 N C 1.015 176.551 175.510 0.044 0.000 1.090 209 N CA 0.661 53.749 53.050 0.064 0.000 0.716 209 N CB -0.449 38.078 38.487 0.066 0.000 1.020 209 N HN 1.167 nan 8.380 nan 0.000 0.548 210 G N -0.553 108.268 108.800 0.036 0.000 2.195 210 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.246 210 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.246 210 G C -0.054 174.855 174.900 0.015 0.000 0.984 210 G CA 0.501 45.619 45.100 0.030 0.000 0.633 210 G HN 0.502 nan 8.290 nan 0.000 0.525 211 Q N 1.392 121.200 119.800 0.013 0.000 2.314 211 Q HA 0.484 4.824 4.340 -0.001 0.000 0.257 211 Q C -0.057 175.938 176.000 -0.008 0.000 0.975 211 Q CA -0.445 55.359 55.803 0.001 0.000 0.933 211 Q CB 0.755 29.496 28.738 0.005 0.000 1.195 211 Q HN 0.259 nan 8.270 nan 0.000 0.426 212 D N 3.274 123.659 120.400 -0.024 0.000 2.487 212 D HA -0.110 4.530 4.640 -0.001 0.000 0.243 212 D C 0.549 176.848 176.300 -0.003 0.000 1.154 212 D CA 0.108 54.088 54.000 -0.033 0.000 0.876 212 D CB 0.862 41.630 40.800 -0.054 0.000 1.161 212 D HN 0.632 nan 8.370 nan 0.000 0.478 213 L N 4.117 125.353 121.223 0.022 0.000 2.353 213 L HA -0.050 4.289 4.340 -0.001 0.000 0.220 213 L C 1.124 178.032 176.870 0.063 0.000 1.133 213 L CA 1.168 56.041 54.840 0.055 0.000 0.798 213 L CB -0.509 41.613 42.059 0.104 0.000 0.922 213 L HN 0.620 nan 8.230 nan 0.000 0.445 214 K N 0.002 120.437 120.400 0.058 0.000 3.125 214 K HA -0.197 4.123 4.320 -0.001 0.000 0.268 214 K C -0.148 176.453 176.600 0.002 0.000 1.078 214 K CA 1.049 57.347 56.287 0.019 0.000 0.775 214 K CB -1.862 30.636 32.500 -0.004 0.000 1.253 214 K HN 0.545 nan 8.250 nan 0.000 0.486 215 M N -1.430 118.172 119.600 0.005 0.000 2.724 215 M HA 0.410 4.889 4.480 -0.001 0.000 0.310 215 M C -0.030 176.128 176.300 -0.236 0.000 1.217 215 M CA -0.943 54.279 55.300 -0.131 0.000 0.894 215 M CB 1.267 33.760 32.600 -0.178 0.000 1.719 215 M HN -0.076 nan 8.290 nan 0.000 0.479 216 D N 1.543 121.805 120.400 -0.229 0.000 2.520 216 D HA 0.014 4.653 4.640 -0.001 0.000 0.243 216 D C 1.229 177.304 176.300 -0.375 0.000 1.160 216 D CA -0.185 53.687 54.000 -0.215 0.000 0.877 216 D CB 1.054 41.761 40.800 -0.155 0.000 1.150 216 D HN 0.815 nan 8.370 nan 0.000 0.494 217 c N 3.934 122.385 118.600 -0.248 0.000 2.422 217 c HA 0.000 4.570 4.570 -0.001 0.000 0.286 217 c C 2.087 176.100 174.090 -0.128 0.000 1.412 217 c CA -0.075 56.129 56.329 -0.209 0.000 1.786 217 c CB -0.640 41.925 42.510 0.091 0.000 1.835 217 c HN 0.621 nan 8.230 nan 0.000 0.533 218 K N 0.921 121.268 120.400 -0.088 0.000 2.152 218 K HA -0.120 4.200 4.320 -0.001 0.000 0.206 218 K C 2.135 178.745 176.600 0.016 0.000 1.048 218 K CA 1.536 57.833 56.287 0.017 0.000 0.933 218 K CB -0.183 32.334 32.500 0.028 0.000 0.721 218 K HN 0.593 nan 8.250 nan 0.000 0.447 219 E N 0.119 120.230 120.200 -0.148 0.000 2.160 219 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 219 E C 1.821 178.435 176.600 0.024 0.000 0.991 219 E CA 1.370 57.709 56.400 -0.103 0.000 0.810 219 E CB -0.316 29.240 29.700 -0.240 0.000 0.742 219 E HN 0.569 nan 8.360 nan 0.000 0.466 220 Y N 0.606 120.953 120.300 0.077 0.000 2.439 220 Y HA -0.008 4.542 4.550 -0.001 0.000 0.292 220 Y C 1.418 177.353 175.900 0.059 0.000 1.130 220 Y CA 0.335 58.467 58.100 0.053 0.000 1.254 220 Y CB 0.223 38.696 38.460 0.022 0.000 1.000 220 Y HN 0.028 nan 8.280 nan 0.000 0.554 221 N N -1.187 117.647 118.700 0.223 0.000 2.299 221 N HA -0.026 4.714 4.740 -0.001 0.000 0.246 221 N C -1.029 174.588 175.510 0.179 0.000 1.254 221 N CA -0.105 53.052 53.050 0.178 0.000 0.879 221 N CB 0.284 38.885 38.487 0.190 0.000 1.214 221 N HN 0.156 nan 8.380 nan 0.000 0.510 222 Y N 3.596 123.886 120.300 -0.016 0.000 2.504 222 Y HA 0.133 4.682 4.550 -0.000 0.000 0.351 222 Y C 0.673 176.435 175.900 -0.229 0.000 0.988 222 Y CA -1.090 56.889 58.100 -0.202 0.000 1.239 222 Y CB 0.323 38.693 38.460 -0.149 0.000 1.128 222 Y HN 0.024 nan 8.280 nan 0.000 0.525 223 D N 3.654 123.730 120.400 -0.540 0.000 2.398 223 D HA 0.107 4.747 4.640 -0.001 0.000 0.210 223 D C -0.611 175.685 176.300 -0.007 0.000 1.094 223 D CA 0.008 53.744 54.000 -0.439 0.000 0.839 223 D CB 0.257 40.736 40.800 -0.534 0.000 0.963 223 D HN 0.585 nan 8.370 nan 0.000 0.506 224 K N -1.670 118.725 120.400 -0.009 0.000 2.597 224 K HA 0.599 4.919 4.320 -0.001 0.000 0.282 224 K C -1.456 175.153 176.600 0.015 0.000 0.975 224 K CA -0.805 55.534 56.287 0.087 0.000 0.867 224 K CB 1.392 33.965 32.500 0.121 0.000 1.465 224 K HN -0.197 nan 8.250 nan 0.000 0.417 225 S N 1.237 116.973 115.700 0.060 0.000 2.473 225 S HA 0.697 5.167 4.470 -0.001 0.000 0.307 225 S C -0.467 174.156 174.600 0.039 0.000 1.094 225 S CA -0.894 57.324 58.200 0.030 0.000 1.070 225 S CB 0.498 63.732 63.200 0.057 0.000 1.019 225 S HN 0.603 nan 8.310 nan 0.000 0.480 226 I N -0.824 119.749 120.570 0.004 0.000 2.934 226 I HA 0.768 4.937 4.170 -0.001 0.000 0.306 226 I C -1.218 174.968 176.117 0.116 0.000 1.110 226 I CA -1.291 60.043 61.300 0.057 0.000 1.019 226 I CB 1.811 39.770 38.000 -0.069 0.000 1.227 226 I HN 0.245 nan 8.210 nan 0.000 0.434 227 V N 2.881 122.925 119.914 0.218 0.000 2.383 227 V HA 0.378 4.498 4.120 -0.001 0.000 0.275 227 V C -0.847 175.400 176.094 0.255 0.000 1.036 227 V CA 0.127 62.564 62.300 0.229 0.000 0.889 227 V CB 0.863 32.824 31.823 0.230 0.000 0.985 227 V HN 0.768 nan 8.190 nan 0.000 0.459 228 D N 2.894 123.399 120.400 0.176 0.000 2.358 228 D HA 0.213 4.853 4.640 -0.001 0.000 0.253 228 D C 0.992 177.356 176.300 0.106 0.000 1.288 228 D CA -0.092 53.993 54.000 0.141 0.000 0.950 228 D CB 1.786 42.642 40.800 0.093 0.000 1.197 228 D HN 0.467 nan 8.370 nan 0.000 0.550 229 S N 1.338 117.091 115.700 0.087 0.000 2.555 229 S HA 0.045 4.514 4.470 -0.001 0.000 0.230 229 S C 1.654 176.285 174.600 0.053 0.000 0.978 229 S CA 0.447 58.684 58.200 0.062 0.000 0.934 229 S CB 0.110 63.312 63.200 0.003 0.000 0.766 229 S HN 0.388 nan 8.310 nan 0.000 0.533 230 G N 0.262 109.083 108.800 0.036 0.000 3.314 230 G HA2 0.395 4.355 3.960 -0.001 0.000 0.238 230 G HA3 0.395 4.355 3.960 -0.001 0.000 0.238 230 G C -0.155 174.758 174.900 0.021 0.000 1.184 230 G CA -0.226 44.879 45.100 0.009 0.000 0.806 230 G HN 0.441 nan 8.290 nan 0.000 0.536 231 T N -0.675 113.903 114.554 0.040 0.000 2.921 231 T HA 0.337 4.686 4.350 -0.001 0.000 0.297 231 T C 1.135 175.864 174.700 0.048 0.000 1.013 231 T CA -0.388 61.730 62.100 0.030 0.000 0.990 231 T CB 2.033 70.913 68.868 0.020 0.000 1.023 231 T HN -0.047 nan 8.240 nan 0.000 0.447 232 T N 2.675 117.251 114.554 0.037 0.000 2.770 232 T HA 0.028 4.377 4.350 -0.001 0.000 0.263 232 T C 0.876 175.602 174.700 0.043 0.000 1.039 232 T CA 1.105 63.234 62.100 0.049 0.000 1.142 232 T CB -0.123 68.765 68.868 0.033 0.000 0.868 232 T HN 0.482 nan 8.240 nan 0.000 0.435 233 N N 0.628 119.336 118.700 0.014 0.000 2.476 233 N HA 0.371 5.111 4.740 -0.001 0.000 0.275 233 N C -0.995 174.516 175.510 0.001 0.000 1.190 233 N CA -0.676 52.371 53.050 -0.005 0.000 0.977 233 N CB 0.978 39.438 38.487 -0.044 0.000 1.200 233 N HN 0.112 nan 8.380 nan 0.000 0.515 234 L N 2.055 123.273 121.223 -0.009 0.000 2.361 234 L HA 0.222 4.561 4.340 -0.001 0.000 0.278 234 L C -0.483 176.368 176.870 -0.031 0.000 1.113 234 L CA 0.167 55.001 54.840 -0.009 0.000 0.849 234 L CB -0.102 41.950 42.059 -0.012 0.000 1.155 234 L HN 0.491 nan 8.230 nan 0.000 0.452 235 R N 6.239 126.723 120.500 -0.027 0.000 2.437 235 R HA 0.610 4.949 4.340 -0.001 0.000 0.310 235 R C -1.168 175.121 176.300 -0.017 0.000 0.955 235 R CA -0.737 55.333 56.100 -0.050 0.000 0.851 235 R CB 1.889 32.146 30.300 -0.073 0.000 1.161 235 R HN 0.584 nan 8.270 nan 0.000 0.446 236 L N 3.672 124.906 121.223 0.019 0.000 2.342 236 L HA 0.569 4.909 4.340 -0.001 0.000 0.271 236 L C -2.283 174.626 176.870 0.066 0.000 1.008 236 L CA -2.734 52.156 54.840 0.083 0.000 0.818 236 L CB 1.898 44.071 42.059 0.190 0.000 1.296 236 L HN 0.254 nan 8.230 nan 0.000 0.427 237 P HA 0.085 nan 4.420 nan 0.000 0.270 237 P C -0.116 177.264 177.300 0.133 0.000 1.223 237 P CA -0.253 62.880 63.100 0.056 0.000 0.785 237 P CB 0.644 32.395 31.700 0.084 0.000 0.923 238 K N 1.407 121.871 120.400 0.108 0.000 2.015 238 K HA -0.239 4.081 4.320 -0.001 0.000 0.216 238 K C 1.769 178.494 176.600 0.208 0.000 1.052 238 K CA 1.988 58.372 56.287 0.161 0.000 0.937 238 K CB -0.378 32.191 32.500 0.115 0.000 0.719 238 K HN 0.391 nan 8.250 nan 0.000 0.446 239 K N 0.476 120.969 120.400 0.155 0.000 2.057 239 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 239 K C 2.136 178.809 176.600 0.122 0.000 1.049 239 K CA 1.485 57.841 56.287 0.115 0.000 0.931 239 K CB -0.168 32.376 32.500 0.072 0.000 0.714 239 K HN -0.018 nan 8.250 nan 0.000 0.440 240 V N 1.003 121.014 119.914 0.162 0.000 2.427 240 V HA -0.216 3.904 4.120 -0.001 0.000 0.248 240 V C 1.954 178.159 176.094 0.186 0.000 1.051 240 V CA 1.475 63.889 62.300 0.190 0.000 1.048 240 V CB -0.531 31.450 31.823 0.264 0.000 0.666 240 V HN 0.220 nan 8.190 nan 0.000 0.456 241 F N 1.481 121.475 119.950 0.073 0.000 2.134 241 F HA -0.164 4.363 4.527 -0.001 0.000 0.299 241 F C 2.279 178.121 175.800 0.070 0.000 1.097 241 F CA 2.072 60.115 58.000 0.071 0.000 1.264 241 F CB -0.208 38.834 39.000 0.069 0.000 1.001 241 F HN 0.199 nan 8.300 nan 0.000 0.479 242 E N 0.220 120.390 120.200 -0.050 0.000 2.047 242 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 242 E C 2.413 178.911 176.600 -0.169 0.000 0.987 242 E CA 1.072 57.371 56.400 -0.168 0.000 0.799 242 E CB -0.472 29.230 29.700 0.002 0.000 0.752 242 E HN 0.473 nan 8.360 nan 0.000 0.449 243 A N 1.423 124.203 122.820 -0.067 0.000 1.908 243 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 243 A C 2.373 179.907 177.584 -0.084 0.000 1.181 243 A CA 1.915 53.921 52.037 -0.051 0.000 0.627 243 A CB -0.781 18.228 19.000 0.014 0.000 0.818 243 A HN 0.311 nan 8.150 nan 0.000 0.445 244 A N -0.706 122.060 122.820 -0.090 0.000 1.877 244 A HA 0.008 4.328 4.320 -0.001 0.000 0.216 244 A C 2.243 179.734 177.584 -0.155 0.000 1.186 244 A CA 1.814 53.798 52.037 -0.089 0.000 0.620 244 A CB -0.964 18.008 19.000 -0.046 0.000 0.822 244 A HN 0.416 nan 8.150 nan 0.000 0.443 245 V N 0.394 120.120 119.914 -0.313 0.000 2.358 245 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 245 V C 2.534 178.341 176.094 -0.477 0.000 1.047 245 V CA 2.293 64.329 62.300 -0.439 0.000 1.035 245 V CB -0.665 30.773 31.823 -0.642 0.000 0.658 245 V HN 0.654 nan 8.190 nan 0.000 0.452 246 K N 0.123 120.317 120.400 -0.344 0.000 2.032 246 K HA -0.242 4.078 4.320 -0.001 0.000 0.209 246 K C 2.503 178.980 176.600 -0.204 0.000 1.048 246 K CA 1.983 58.109 56.287 -0.268 0.000 0.927 246 K CB -0.322 32.074 32.500 -0.174 0.000 0.712 246 K HN 0.448 nan 8.250 nan 0.000 0.441 247 S N 0.458 116.071 115.700 -0.144 0.000 2.383 247 S HA -0.090 4.380 4.470 -0.001 0.000 0.227 247 S C 1.951 176.524 174.600 -0.045 0.000 1.026 247 S CA 1.026 59.180 58.200 -0.076 0.000 0.981 247 S CB -0.221 62.955 63.200 -0.041 0.000 0.818 247 S HN 0.356 nan 8.310 nan 0.000 0.472 248 I N 0.960 121.500 120.570 -0.049 0.000 2.394 248 I HA -0.102 4.067 4.170 -0.001 0.000 0.251 248 I C 2.611 178.759 176.117 0.051 0.000 1.136 248 I CA 0.996 62.354 61.300 0.096 0.000 1.425 248 I CB -0.209 37.944 38.000 0.255 0.000 1.079 248 I HN 0.246 nan 8.210 nan 0.000 0.425 249 K N 0.915 121.160 120.400 -0.257 0.000 2.032 249 K HA -0.194 4.126 4.320 -0.001 0.000 0.209 249 K C 2.302 178.857 176.600 -0.075 0.000 1.048 249 K CA 1.682 57.838 56.287 -0.218 0.000 0.927 249 K CB -0.302 31.945 32.500 -0.420 0.000 0.712 249 K HN 0.320 nan 8.250 nan 0.000 0.441 250 A N 1.323 124.089 122.820 -0.089 0.000 1.865 250 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 250 A C 2.357 179.923 177.584 -0.030 0.000 1.191 250 A CA 2.129 54.131 52.037 -0.058 0.000 0.623 250 A CB -0.942 18.024 19.000 -0.055 0.000 0.826 250 A HN 0.384 nan 8.150 nan 0.000 0.444 251 A N -0.160 122.660 122.820 -0.001 0.000 1.978 251 A HA -0.041 4.279 4.320 -0.001 0.000 0.220 251 A C 2.155 179.719 177.584 -0.032 0.000 1.170 251 A CA 2.155 54.199 52.037 0.011 0.000 0.636 251 A CB -0.673 18.368 19.000 0.068 0.000 0.810 251 A HN 1.163 nan 8.150 nan 0.000 0.448 252 S N -0.480 115.202 115.700 -0.029 0.000 2.574 252 S HA 0.136 4.606 4.470 -0.001 0.000 0.242 252 S C 1.215 175.757 174.600 -0.097 0.000 0.982 252 S CA 0.560 58.692 58.200 -0.114 0.000 0.977 252 S CB -0.383 62.771 63.200 -0.076 0.000 0.814 252 S HN 0.695 nan 8.310 nan 0.000 0.464 253 S N 1.451 117.101 115.700 -0.082 0.000 2.507 253 S HA -0.123 4.347 4.470 -0.001 0.000 0.235 253 S C 1.775 176.303 174.600 -0.119 0.000 0.988 253 S CA 1.037 59.178 58.200 -0.098 0.000 0.944 253 S CB -1.401 61.756 63.200 -0.073 0.000 0.762 253 S HN 0.738 nan 8.310 nan 0.000 0.526 254 T N -0.228 114.258 114.554 -0.115 0.000 3.098 254 T HA 0.085 4.435 4.350 -0.001 0.000 0.266 254 T C 0.339 174.963 174.700 -0.126 0.000 1.145 254 T CA 0.433 62.472 62.100 -0.102 0.000 1.092 254 T CB -0.414 68.406 68.868 -0.080 0.000 0.908 254 T HN 0.617 nan 8.240 nan 0.000 0.526 255 E N 0.227 120.296 120.200 -0.219 0.000 2.343 255 E HA 0.541 4.891 4.350 -0.001 0.000 0.270 255 E C -1.157 175.090 176.600 -0.587 0.000 0.895 255 E CA -1.025 55.174 56.400 -0.335 0.000 0.767 255 E CB 2.349 31.887 29.700 -0.270 0.000 1.248 255 E HN 0.101 nan 8.360 nan 0.000 0.440 256 K N 1.934 122.033 120.400 -0.501 0.000 2.159 256 K HA 0.506 4.825 4.320 -0.001 0.000 0.266 256 K C -1.504 174.800 176.600 -0.493 0.000 0.975 256 K CA -0.280 55.767 56.287 -0.399 0.000 0.865 256 K CB 0.744 33.153 32.500 -0.152 0.000 1.087 256 K HN 0.348 nan 8.250 nan 0.000 0.446 257 F N 3.152 123.169 119.950 0.113 0.000 2.577 257 F HA 0.428 4.955 4.527 -0.001 0.000 0.318 257 F C -1.785 174.076 175.800 0.101 0.000 1.065 257 F CA -2.540 55.453 58.000 -0.012 0.000 0.929 257 F CB 1.502 40.382 39.000 -0.200 0.000 1.237 257 F HN 0.430 nan 8.300 nan 0.000 0.468 258 P HA 0.069 nan 4.420 nan 0.000 0.269 258 P C -0.072 177.415 177.300 0.312 0.000 1.215 258 P CA 0.004 63.225 63.100 0.202 0.000 0.780 258 P CB 0.721 32.493 31.700 0.120 0.000 0.898 259 D N 1.715 122.290 120.400 0.292 0.000 2.149 259 D HA -0.125 4.514 4.640 -0.001 0.000 0.198 259 D C 2.193 178.682 176.300 0.316 0.000 0.990 259 D CA 1.879 56.094 54.000 0.358 0.000 0.839 259 D CB -0.917 40.022 40.800 0.230 0.000 0.948 259 D HN 0.580 nan 8.370 nan 0.000 0.460 260 G N 0.287 109.213 108.800 0.210 0.000 2.475 260 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.220 260 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.220 260 G C 1.437 176.425 174.900 0.147 0.000 1.125 260 G CA 0.573 45.769 45.100 0.160 0.000 0.755 260 G HN 0.272 nan 8.290 nan 0.000 0.565 261 F N 0.434 120.345 119.950 -0.064 0.000 2.134 261 F HA -0.035 4.491 4.527 -0.001 0.000 0.299 261 F C 2.180 177.829 175.800 -0.253 0.000 1.097 261 F CA 1.158 58.994 58.000 -0.274 0.000 1.264 261 F CB -0.377 38.266 39.000 -0.596 0.000 1.001 261 F HN 0.250 nan 8.300 nan 0.000 0.479 262 W N -0.562 120.678 121.300 -0.099 0.000 2.595 262 W HA -0.016 4.644 4.660 -0.000 0.000 0.257 262 W C 1.375 177.989 176.519 0.159 0.000 1.267 262 W CA -0.182 57.033 57.345 -0.218 0.000 1.300 262 W CB -0.289 29.108 29.460 -0.105 0.000 1.120 262 W HN -0.066 nan 8.180 nan 0.000 0.618 263 L N 0.271 121.674 121.223 0.301 0.000 2.592 263 L HA 0.337 4.677 4.340 -0.001 0.000 0.227 263 L C 1.819 178.781 176.870 0.153 0.000 1.127 263 L CA 0.822 55.819 54.840 0.262 0.000 0.884 263 L CB -0.935 41.246 42.059 0.203 0.000 1.065 263 L HN 0.213 nan 8.230 nan 0.000 0.457 264 G N -0.331 108.526 108.800 0.096 0.000 2.143 264 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.248 264 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.248 264 G C 1.011 175.937 174.900 0.043 0.000 0.991 264 G CA 0.638 45.765 45.100 0.046 0.000 0.689 264 G HN 0.436 nan 8.290 nan 0.000 0.522 265 E N -0.788 119.447 120.200 0.057 0.000 2.460 265 E HA 0.214 4.563 4.350 -0.001 0.000 0.200 265 E C 0.996 177.630 176.600 0.057 0.000 1.011 265 E CA 0.431 56.864 56.400 0.056 0.000 0.912 265 E CB 0.362 30.102 29.700 0.066 0.000 0.953 265 E HN 0.666 nan 8.360 nan 0.000 0.494 266 Q N 0.139 119.986 119.800 0.079 0.000 2.416 266 Q HA 0.457 4.797 4.340 -0.001 0.000 0.281 266 Q C -1.166 174.907 176.000 0.122 0.000 1.067 266 Q CA -0.516 55.333 55.803 0.077 0.000 0.809 266 Q CB 2.511 31.294 28.738 0.075 0.000 1.418 266 Q HN -0.010 nan 8.270 nan 0.000 0.411 267 L N 0.362 121.610 121.223 0.040 0.000 2.431 267 L HA 0.746 5.086 4.340 -0.001 0.000 0.260 267 L C -0.593 176.174 176.870 -0.172 0.000 1.098 267 L CA -1.044 53.800 54.840 0.008 0.000 0.800 267 L CB 1.132 43.161 42.059 -0.050 0.000 1.210 267 L HN 0.279 nan 8.230 nan 0.000 0.465 268 V N 0.286 119.994 119.914 -0.342 0.000 2.638 268 V HA 0.492 4.611 4.120 -0.001 0.000 0.306 268 V C -1.019 174.682 176.094 -0.655 0.000 1.052 268 V CA -0.331 61.539 62.300 -0.717 0.000 0.885 268 V CB 1.719 32.692 31.823 -1.417 0.000 0.999 268 V HN 0.870 nan 8.190 nan 0.000 0.424 269 c N 5.644 123.798 118.600 -0.743 0.000 2.707 269 c HA 0.760 5.330 4.570 -0.001 0.000 0.313 269 c C -0.971 172.691 174.090 -0.713 0.000 1.209 269 c CA -1.023 54.992 56.329 -0.523 0.000 1.635 269 c CB 1.739 44.082 42.510 -0.279 0.000 2.206 269 c HN 0.875 nan 8.230 nan 0.000 0.485 270 W N 0.448 121.753 121.300 0.009 0.000 3.031 270 W HA 0.413 5.073 4.660 -0.001 0.000 0.337 270 W C -0.308 176.215 176.519 0.006 0.000 1.187 270 W CA -0.557 56.795 57.345 0.012 0.000 1.166 270 W CB 1.157 30.624 29.460 0.013 0.000 1.437 270 W HN 0.688 nan 8.180 nan 0.000 0.551 271 Q N 1.460 121.404 119.800 0.240 0.000 2.269 271 Q HA 0.250 4.590 4.340 -0.001 0.000 0.300 271 Q C 0.467 176.549 176.000 0.137 0.000 1.070 271 Q CA 0.285 56.170 55.803 0.136 0.000 0.957 271 Q CB 0.684 29.489 28.738 0.112 0.000 1.131 271 Q HN 0.399 nan 8.270 nan 0.000 0.377 272 A N 3.833 126.709 122.820 0.092 0.000 2.550 272 A HA 0.320 4.640 4.320 -0.001 0.000 0.263 272 A C 1.228 178.867 177.584 0.091 0.000 1.065 272 A CA 0.825 52.914 52.037 0.087 0.000 0.786 272 A CB -0.984 18.047 19.000 0.050 0.000 0.985 272 A HN 1.263 nan 8.150 nan 0.000 0.518 273 G N 1.662 110.532 108.800 0.116 0.000 2.201 273 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.212 273 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.212 273 G C 0.805 175.755 174.900 0.083 0.000 0.994 273 G CA 0.844 46.005 45.100 0.102 0.000 0.644 273 G HN 2.034 nan 8.290 nan 0.000 0.508 274 T N -0.821 113.777 114.554 0.073 0.000 3.134 274 T HA 0.427 4.776 4.350 -0.001 0.000 0.260 274 T C 0.791 175.393 174.700 -0.163 0.000 1.027 274 T CA 0.894 62.999 62.100 0.007 0.000 0.913 274 T CB 0.330 69.228 68.868 0.049 0.000 1.046 274 T HN 0.330 nan 8.240 nan 0.000 0.553 275 T N 5.901 120.324 114.554 -0.219 0.000 2.871 275 T HA 0.198 4.547 4.350 -0.001 0.000 0.296 275 T C -2.293 171.865 174.700 -0.905 0.000 0.998 275 T CA -0.485 61.148 62.100 -0.780 0.000 1.162 275 T CB 0.667 69.008 68.868 -0.879 0.000 0.947 275 T HN 0.248 nan 8.240 nan 0.000 0.536 276 P HA 0.196 nan 4.420 nan 0.000 0.225 276 P C 0.076 177.193 177.300 -0.305 0.000 1.830 276 P CA -0.510 62.263 63.100 -0.545 0.000 1.051 276 P CB -0.146 31.250 31.700 -0.508 0.000 1.929 277 W N 2.269 123.519 121.300 -0.084 0.000 2.338 277 W HA -0.243 4.417 4.660 -0.001 0.000 0.304 277 W C 2.326 178.926 176.519 0.134 0.000 1.212 277 W CA 1.222 58.594 57.345 0.046 0.000 1.264 277 W CB -1.015 28.426 29.460 -0.032 0.000 1.142 277 W HN 0.271 nan 8.180 nan 0.000 0.512 278 N N 0.917 119.801 118.700 0.307 0.000 2.247 278 N HA -0.222 4.517 4.740 -0.001 0.000 0.189 278 N C 1.291 176.871 175.510 0.116 0.000 1.009 278 N CA 1.850 55.021 53.050 0.203 0.000 0.872 278 N CB -0.913 37.657 38.487 0.139 0.000 0.980 278 N HN 0.130 nan 8.380 nan 0.000 0.436 279 I N 0.017 120.598 120.570 0.019 0.000 2.614 279 I HA 0.012 4.182 4.170 -0.001 0.000 0.258 279 I C 0.442 176.451 176.117 -0.180 0.000 1.189 279 I CA 0.105 61.307 61.300 -0.164 0.000 1.462 279 I CB -1.188 36.579 38.000 -0.388 0.000 1.092 279 I HN -0.068 nan 8.210 nan 0.000 0.442 280 F N 3.118 123.182 119.950 0.190 0.000 2.415 280 F HA 0.376 4.902 4.527 -0.001 0.000 0.348 280 F C -1.811 174.172 175.800 0.305 0.000 1.119 280 F CA -2.358 55.821 58.000 0.299 0.000 1.069 280 F CB 0.802 39.984 39.000 0.304 0.000 1.124 280 F HN -0.139 nan 8.300 nan 0.000 0.472 281 P HA 0.167 nan 4.420 nan 0.000 0.276 281 P C -0.782 176.753 177.300 0.392 0.000 1.244 281 P CA -0.332 62.975 63.100 0.345 0.000 0.801 281 P CB 1.590 33.441 31.700 0.252 0.000 1.006 282 V N 0.210 120.278 119.914 0.255 0.000 2.583 282 V HA 0.400 4.519 4.120 -0.001 0.000 0.287 282 V C 0.138 176.329 176.094 0.161 0.000 1.051 282 V CA -0.468 61.965 62.300 0.221 0.000 1.010 282 V CB -0.072 31.832 31.823 0.136 0.000 0.988 282 V HN 0.265 nan 8.190 nan 0.000 0.478 283 I N 4.341 124.999 120.570 0.147 0.000 2.359 283 I HA 0.435 4.604 4.170 -0.001 0.000 0.294 283 I C 0.316 176.431 176.117 -0.003 0.000 0.987 283 I CA 0.055 61.381 61.300 0.043 0.000 1.225 283 I CB 1.721 39.714 38.000 -0.012 0.000 1.366 283 I HN 0.714 nan 8.210 nan 0.000 0.466 284 S N 7.249 122.915 115.700 -0.058 0.000 2.449 284 S HA 0.610 5.080 4.470 -0.001 0.000 0.310 284 S C -0.408 174.072 174.600 -0.199 0.000 1.096 284 S CA -0.657 57.447 58.200 -0.159 0.000 1.095 284 S CB 1.072 64.154 63.200 -0.197 0.000 1.007 284 S HN 0.346 nan 8.310 nan 0.000 0.474 285 L N 3.643 124.685 121.223 -0.303 0.000 2.287 285 L HA 0.490 4.830 4.340 -0.001 0.000 0.287 285 L C -1.153 175.437 176.870 -0.466 0.000 1.022 285 L CA -0.815 53.830 54.840 -0.326 0.000 0.814 285 L CB 0.504 42.363 42.059 -0.334 0.000 1.217 285 L HN 0.595 nan 8.230 nan 0.000 0.420 286 Y N 3.852 123.884 120.300 -0.447 0.000 2.316 286 Y HA 0.485 5.035 4.550 -0.000 0.000 0.331 286 Y C 0.093 175.691 175.900 -0.504 0.000 1.083 286 Y CA -0.262 57.545 58.100 -0.487 0.000 1.206 286 Y CB 1.035 39.260 38.460 -0.392 0.000 1.195 286 Y HN 0.373 nan 8.280 nan 0.000 0.497 287 L N 4.343 125.187 121.223 -0.632 0.000 2.334 287 L HA 0.468 4.807 4.340 -0.001 0.000 0.276 287 L C 0.045 176.689 176.870 -0.376 0.000 1.014 287 L CA -1.042 53.445 54.840 -0.589 0.000 0.815 287 L CB 1.715 43.220 42.059 -0.924 0.000 1.268 287 L HN 0.625 nan 8.230 nan 0.000 0.428 288 M N 1.705 121.237 119.600 -0.112 0.000 2.251 288 M HA 0.189 4.669 4.480 -0.001 0.000 0.343 288 M C 0.487 176.881 176.300 0.156 0.000 1.245 288 M CA 0.405 55.727 55.300 0.037 0.000 1.061 288 M CB 0.629 33.273 32.600 0.073 0.000 1.723 288 M HN 0.711 nan 8.290 nan 0.000 0.449 289 G N 3.392 112.338 108.800 0.245 0.000 2.543 289 G HA2 0.226 4.185 3.960 -0.001 0.000 0.290 289 G HA3 0.226 4.185 3.960 -0.001 0.000 0.290 289 G C 0.017 175.093 174.900 0.292 0.000 1.310 289 G CA -0.444 44.901 45.100 0.409 0.000 1.025 289 G HN 0.912 nan 8.290 nan 0.000 0.502 290 E N -1.590 118.777 120.200 0.279 0.000 2.216 290 E HA 0.015 4.364 4.350 -0.001 0.000 0.192 290 E C 0.511 177.187 176.600 0.127 0.000 0.988 290 E CA 0.249 56.752 56.400 0.171 0.000 0.834 290 E CB 0.267 30.038 29.700 0.119 0.000 0.772 290 E HN 0.085 nan 8.360 nan 0.000 0.479 291 V N 1.699 121.701 119.914 0.146 0.000 2.612 291 V HA 0.078 4.198 4.120 -0.001 0.000 0.301 291 V C 0.346 176.505 176.094 0.108 0.000 1.046 291 V CA -0.656 61.710 62.300 0.110 0.000 0.946 291 V CB 1.778 33.664 31.823 0.106 0.000 1.003 291 V HN 0.060 nan 8.190 nan 0.000 0.459 292 T N 4.797 119.399 114.554 0.080 0.000 2.849 292 T HA -0.009 4.341 4.350 -0.001 0.000 0.289 292 T C 0.915 175.661 174.700 0.077 0.000 1.010 292 T CA 0.617 62.759 62.100 0.070 0.000 1.161 292 T CB -0.377 68.522 68.868 0.051 0.000 0.989 292 T HN 0.839 nan 8.240 nan 0.000 0.523 293 N N 0.718 119.464 118.700 0.076 0.000 2.800 293 N HA -0.151 4.589 4.740 -0.001 0.000 0.250 293 N C -0.140 175.431 175.510 0.101 0.000 1.078 293 N CA 0.970 54.065 53.050 0.075 0.000 0.804 293 N CB -0.545 37.978 38.487 0.059 0.000 1.135 293 N HN 0.773 nan 8.380 nan 0.000 0.565 294 Q N 0.904 120.782 119.800 0.131 0.000 2.337 294 Q HA 0.583 4.923 4.340 -0.001 0.000 0.266 294 Q C -0.460 175.671 176.000 0.218 0.000 1.023 294 Q CA -0.219 55.692 55.803 0.179 0.000 0.829 294 Q CB 1.762 30.620 28.738 0.199 0.000 1.306 294 Q HN 0.295 nan 8.270 nan 0.000 0.449 295 S N 2.662 118.513 115.700 0.251 0.000 2.740 295 S HA 0.895 5.364 4.470 -0.001 0.000 0.300 295 S C -0.657 174.146 174.600 0.339 0.000 1.147 295 S CA -0.652 57.698 58.200 0.249 0.000 0.871 295 S CB 1.342 64.640 63.200 0.163 0.000 1.173 295 S HN 0.597 nan 8.310 nan 0.000 0.510 296 F N -1.375 118.617 119.950 0.069 0.000 2.685 296 F HA 0.856 5.383 4.527 -0.001 0.000 0.315 296 F C -0.883 174.737 175.800 -0.300 0.000 1.126 296 F CA -1.274 56.627 58.000 -0.164 0.000 0.950 296 F CB 1.353 40.055 39.000 -0.497 0.000 1.360 296 F HN 0.948 nan 8.300 nan 0.000 0.469 297 R N 2.308 122.583 120.500 -0.375 0.000 2.686 297 R HA 0.832 5.171 4.340 -0.001 0.000 0.286 297 R C -1.503 174.535 176.300 -0.438 0.000 0.969 297 R CA -0.896 54.737 56.100 -0.778 0.000 0.898 297 R CB 2.397 31.899 30.300 -1.330 0.000 1.183 297 R HN 0.999 nan 8.270 nan 0.000 0.456 298 I N -0.656 119.602 120.570 -0.519 0.000 2.441 298 I HA 0.482 4.652 4.170 -0.001 0.000 0.295 298 I C -0.935 175.073 176.117 -0.183 0.000 0.994 298 I CA -0.689 60.395 61.300 -0.360 0.000 1.144 298 I CB 2.484 40.010 38.000 -0.790 0.000 1.314 298 I HN 0.494 nan 8.210 nan 0.000 0.445 299 T N 7.557 122.154 114.554 0.072 0.000 2.772 299 T HA 0.538 4.888 4.350 -0.001 0.000 0.288 299 T C -0.394 174.422 174.700 0.193 0.000 0.994 299 T CA -0.278 61.863 62.100 0.068 0.000 0.951 299 T CB 0.837 69.722 68.868 0.028 0.000 0.933 299 T HN 0.599 nan 8.240 nan 0.000 0.447 300 I N 4.155 124.824 120.570 0.165 0.000 2.392 300 I HA 0.653 4.822 4.170 -0.001 0.000 0.295 300 I C -1.062 175.166 176.117 0.186 0.000 0.985 300 I CA -0.482 60.933 61.300 0.192 0.000 1.221 300 I CB 0.731 38.872 38.000 0.236 0.000 1.366 300 I HN 0.514 nan 8.210 nan 0.000 0.467 301 L N 7.624 128.919 121.223 0.119 0.000 2.352 301 L HA 0.566 4.906 4.340 -0.001 0.000 0.269 301 L C -1.336 175.537 176.870 0.005 0.000 1.034 301 L CA -1.786 53.097 54.840 0.072 0.000 0.806 301 L CB 1.539 43.563 42.059 -0.059 0.000 1.244 301 L HN 0.491 nan 8.230 nan 0.000 0.447 302 P HA -0.207 nan 4.420 nan 0.000 0.218 302 P C 0.731 177.710 177.300 -0.536 0.000 1.148 302 P CA 1.206 63.955 63.100 -0.585 0.000 0.822 302 P CB 0.062 31.741 31.700 -0.034 0.000 0.784 303 Q N -0.135 119.350 119.800 -0.526 0.000 2.500 303 Q HA -0.100 4.240 4.340 -0.001 0.000 0.213 303 Q C 1.687 177.543 176.000 -0.240 0.000 0.974 303 Q CA 1.028 56.480 55.803 -0.585 0.000 0.918 303 Q CB -0.843 27.350 28.738 -0.909 0.000 0.980 303 Q HN 0.449 nan 8.270 nan 0.000 0.505 304 Q N -0.055 119.647 119.800 -0.164 0.000 2.297 304 Q HA -0.026 4.314 4.340 -0.001 0.000 0.203 304 Q C 1.026 177.065 176.000 0.065 0.000 0.931 304 Q CA 1.018 56.811 55.803 -0.017 0.000 0.885 304 Q CB 0.145 28.909 28.738 0.043 0.000 0.991 304 Q HN 0.688 nan 8.270 nan 0.000 0.498 305 Y N -2.410 117.915 120.300 0.042 0.000 2.449 305 Y HA 0.378 4.928 4.550 -0.001 0.000 0.254 305 Y C 0.051 175.980 175.900 0.048 0.000 1.140 305 Y CA -0.565 57.538 58.100 0.004 0.000 1.272 305 Y CB 0.350 38.795 38.460 -0.024 0.000 1.114 305 Y HN -0.149 nan 8.280 nan 0.000 0.525 306 L N 3.126 124.281 121.223 -0.114 0.000 2.287 306 L HA 0.392 4.732 4.340 -0.001 0.000 0.280 306 L C -0.131 176.870 176.870 0.218 0.000 1.055 306 L CA -0.555 54.314 54.840 0.048 0.000 0.863 306 L CB 0.676 42.626 42.059 -0.182 0.000 1.245 306 L HN 0.175 nan 8.230 nan 0.000 0.432 307 R N 5.837 126.475 120.500 0.229 0.000 2.221 307 R HA 0.412 4.752 4.340 -0.001 0.000 0.327 307 R C -2.297 174.154 176.300 0.252 0.000 1.033 307 R CA -1.580 54.643 56.100 0.206 0.000 0.887 307 R CB 0.874 31.244 30.300 0.118 0.000 1.057 307 R HN 0.264 nan 8.270 nan 0.000 0.455 308 P HA -0.018 nan 4.420 nan 0.000 0.268 308 P C -0.898 176.380 177.300 -0.036 0.000 1.205 308 P CA -0.058 63.059 63.100 0.029 0.000 0.771 308 P CB 1.088 32.806 31.700 0.030 0.000 0.858 309 V N 3.788 123.629 119.914 -0.123 0.000 2.350 309 V HA 0.174 4.294 4.120 -0.001 0.000 0.285 309 V C 1.003 177.036 176.094 -0.100 0.000 1.014 309 V CA -0.327 61.926 62.300 -0.079 0.000 0.831 309 V CB 1.128 32.916 31.823 -0.057 0.000 1.000 309 V HN 0.604 nan 8.190 nan 0.000 0.433 310 E N 2.612 122.771 120.200 -0.068 0.000 4.452 310 E HA 0.092 4.442 4.350 -0.001 0.000 0.538 310 E C -0.372 176.193 176.600 -0.058 0.000 0.919 310 E CA -0.561 55.802 56.400 -0.062 0.000 3.456 310 E CB 0.316 29.990 29.700 -0.043 0.000 2.092 310 E HN 0.776 nan 8.360 nan 0.000 0.530 311 D N 0.674 121.047 120.400 -0.045 0.000 2.433 311 D HA -0.043 4.597 4.640 -0.001 0.000 0.274 311 D C 0.274 176.550 176.300 -0.040 0.000 1.344 311 D CA -0.042 53.933 54.000 -0.040 0.000 0.989 311 D CB 0.611 41.392 40.800 -0.033 0.000 1.116 311 D HN 0.079 nan 8.370 nan 0.000 0.533 312 V N 2.538 122.426 119.914 -0.043 0.000 2.691 312 V HA 0.062 4.182 4.120 -0.001 0.000 0.180 312 V C 2.041 178.115 176.094 -0.033 0.000 1.156 312 V CA 0.919 63.196 62.300 -0.040 0.000 1.342 312 V CB -0.779 31.017 31.823 -0.045 0.000 0.916 312 V HN 0.590 nan 8.190 nan 0.000 0.475 313 A N -0.383 122.418 122.820 -0.031 0.000 1.825 313 A HA 0.015 4.334 4.320 -0.001 0.000 0.214 313 A C 1.281 178.849 177.584 -0.027 0.000 1.206 313 A CA 2.092 54.113 52.037 -0.027 0.000 0.609 313 A CB -0.449 18.537 19.000 -0.024 0.000 0.851 313 A HN 0.630 nan 8.150 nan 0.000 0.445 314 T N -0.132 114.405 114.554 -0.029 0.000 3.233 314 T HA 0.363 4.713 4.350 -0.001 0.000 0.324 314 T C -0.665 174.015 174.700 -0.032 0.000 0.992 314 T CA -0.204 61.879 62.100 -0.028 0.000 1.414 314 T CB 0.730 69.584 68.868 -0.023 0.000 0.935 314 T HN 0.268 nan 8.240 nan 0.000 0.544 315 S N 1.444 117.121 115.700 -0.039 0.000 2.585 315 S HA 0.476 4.945 4.470 -0.001 0.000 0.277 315 S C 0.371 174.945 174.600 -0.043 0.000 1.241 315 S CA -0.329 57.843 58.200 -0.047 0.000 1.041 315 S CB 1.156 64.319 63.200 -0.061 0.000 0.987 315 S HN 0.615 nan 8.310 nan 0.000 0.512 316 Q N 1.594 121.370 119.800 -0.041 0.000 2.038 316 Q HA 0.343 4.682 4.340 -0.001 0.000 0.240 316 Q C -0.945 175.038 176.000 -0.027 0.000 0.831 316 Q CA -0.219 55.566 55.803 -0.032 0.000 1.068 316 Q CB 0.822 29.547 28.738 -0.022 0.000 1.241 316 Q HN 0.528 nan 8.270 nan 0.000 0.435 317 D N -0.456 119.920 120.400 -0.039 0.000 2.538 317 D HA 0.269 4.908 4.640 -0.001 0.000 0.262 317 D C -0.729 175.548 176.300 -0.038 0.000 1.186 317 D CA -0.296 53.688 54.000 -0.027 0.000 1.090 317 D CB 0.884 41.661 40.800 -0.039 0.000 1.187 317 D HN -0.164 nan 8.370 nan 0.000 0.614 318 D N -0.175 120.214 120.400 -0.019 0.000 2.425 318 D HA 0.376 5.016 4.640 -0.001 0.000 0.240 318 D C -0.871 175.292 176.300 -0.230 0.000 1.080 318 D CA -0.101 53.845 54.000 -0.089 0.000 0.836 318 D CB 0.827 41.688 40.800 0.101 0.000 1.125 318 D HN 0.144 nan 8.370 nan 0.000 0.525 319 c N 2.881 121.176 118.600 -0.508 0.000 2.626 319 c HA 0.640 5.210 4.570 -0.001 0.000 0.310 319 c C -0.930 172.768 174.090 -0.653 0.000 1.191 319 c CA -0.856 55.201 56.329 -0.453 0.000 1.517 319 c CB 0.336 42.702 42.510 -0.241 0.000 2.102 319 c HN 0.512 nan 8.230 nan 0.000 0.479 320 Y N 0.920 121.201 120.300 -0.033 0.000 2.524 320 Y HA 0.615 5.165 4.550 -0.001 0.000 0.347 320 Y C 0.039 175.998 175.900 0.098 0.000 1.005 320 Y CA -1.009 57.116 58.100 0.041 0.000 1.025 320 Y CB 1.329 39.823 38.460 0.056 0.000 1.275 320 Y HN 0.651 nan 8.280 nan 0.000 0.460 321 K N 1.093 121.648 120.400 0.258 0.000 2.221 321 K HA 0.583 4.902 4.320 -0.001 0.000 0.243 321 K C -1.402 175.311 176.600 0.189 0.000 0.968 321 K CA -0.711 55.709 56.287 0.222 0.000 0.846 321 K CB 1.894 34.456 32.500 0.103 0.000 1.141 321 K HN 0.636 nan 8.250 nan 0.000 0.434 322 F N 1.548 121.327 119.950 -0.286 0.000 2.471 322 F HA 0.262 4.789 4.527 -0.001 0.000 0.365 322 F C 0.470 176.233 175.800 -0.062 0.000 1.095 322 F CA -0.434 57.371 58.000 -0.326 0.000 1.174 322 F CB 0.804 39.308 39.000 -0.827 0.000 1.105 322 F HN 0.829 nan 8.300 nan 0.000 0.535 323 A N 7.764 130.459 122.820 -0.208 0.000 2.462 323 A HA 0.345 4.665 4.320 -0.001 0.000 0.261 323 A C 0.132 177.546 177.584 -0.284 0.000 1.323 323 A CA -0.218 51.723 52.037 -0.160 0.000 0.913 323 A CB -0.740 18.251 19.000 -0.015 0.000 1.028 323 A HN 0.654 nan 8.150 nan 0.000 0.511 324 I N 1.276 121.435 120.570 -0.685 0.000 2.377 324 I HA 0.415 4.584 4.170 -0.001 0.000 0.293 324 I C 0.086 176.132 176.117 -0.119 0.000 0.987 324 I CA -0.334 60.705 61.300 -0.435 0.000 1.185 324 I CB 2.043 39.719 38.000 -0.541 0.000 1.341 324 I HN 0.294 nan 8.210 nan 0.000 0.455 325 S N 4.118 119.768 115.700 -0.083 0.000 2.651 325 S HA 0.434 4.903 4.470 -0.001 0.000 0.279 325 S C -0.922 173.335 174.600 -0.571 0.000 1.148 325 S CA -0.958 57.059 58.200 -0.304 0.000 0.837 325 S CB 1.899 64.984 63.200 -0.193 0.000 1.138 325 S HN 0.651 nan 8.310 nan 0.000 0.478 326 Q N 0.615 119.891 119.800 -0.872 0.000 2.293 326 Q HA 0.550 4.890 4.340 -0.001 0.000 0.251 326 Q C -0.615 175.203 176.000 -0.304 0.000 0.930 326 Q CA -0.287 55.091 55.803 -0.707 0.000 0.893 326 Q CB 1.046 29.383 28.738 -0.667 0.000 1.215 326 Q HN 0.721 nan 8.270 nan 0.000 0.425 327 S N 1.378 116.966 115.700 -0.185 0.000 2.501 327 S HA 0.303 4.772 4.470 -0.001 0.000 0.301 327 S C 0.493 175.015 174.600 -0.130 0.000 1.096 327 S CA -0.221 57.898 58.200 -0.136 0.000 1.063 327 S CB 1.353 64.489 63.200 -0.106 0.000 1.042 327 S HN 0.775 nan 8.310 nan 0.000 0.494 328 S N 2.390 118.014 115.700 -0.126 0.000 2.439 328 S HA 0.054 4.524 4.470 -0.001 0.000 0.224 328 S C 0.710 175.206 174.600 -0.175 0.000 1.029 328 S CA 0.539 58.665 58.200 -0.124 0.000 0.946 328 S CB -0.253 62.895 63.200 -0.087 0.000 0.797 328 S HN 0.801 nan 8.310 nan 0.000 0.504 329 T N 0.298 114.741 114.554 -0.185 0.000 3.697 329 T HA 0.670 5.019 4.350 -0.001 0.000 0.260 329 T C 0.393 174.950 174.700 -0.239 0.000 0.998 329 T CA -0.232 61.730 62.100 -0.228 0.000 1.128 329 T CB 0.245 69.000 68.868 -0.189 0.000 1.082 329 T HN 0.939 nan 8.240 nan 0.000 0.541 330 G N 1.142 109.804 108.800 -0.230 0.000 2.631 330 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.504 330 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.504 330 G C -0.427 174.420 174.900 -0.087 0.000 1.306 330 G CA -0.911 44.093 45.100 -0.160 0.000 0.897 330 G HN 0.429 nan 8.290 nan 0.000 0.520 331 T N 0.585 115.123 114.554 -0.028 0.000 2.799 331 T HA 0.435 4.784 4.350 -0.001 0.000 0.296 331 T C 0.556 175.237 174.700 -0.033 0.000 0.947 331 T CA 0.176 62.270 62.100 -0.010 0.000 1.141 331 T CB 0.928 69.809 68.868 0.021 0.000 0.891 331 T HN 1.035 nan 8.240 nan 0.000 0.533 332 V N 6.064 125.957 119.914 -0.036 0.000 2.347 332 V HA 0.300 4.420 4.120 -0.001 0.000 0.280 332 V C 0.343 176.442 176.094 0.007 0.000 1.021 332 V CA -0.693 61.591 62.300 -0.026 0.000 0.847 332 V CB 1.228 33.025 31.823 -0.044 0.000 0.990 332 V HN 0.902 nan 8.190 nan 0.000 0.444 333 M N 4.851 124.473 119.600 0.037 0.000 2.725 333 M HA 0.323 4.803 4.480 -0.001 0.000 0.322 333 M C 0.996 177.350 176.300 0.091 0.000 1.393 333 M CA 0.110 55.450 55.300 0.066 0.000 1.452 333 M CB 0.333 32.987 32.600 0.090 0.000 1.242 333 M HN 0.809 nan 8.290 nan 0.000 0.487 334 G N 0.991 109.835 108.800 0.073 0.000 2.553 334 G HA2 0.435 4.394 3.960 -0.001 0.000 0.278 334 G HA3 0.435 4.394 3.960 -0.001 0.000 0.278 334 G C 0.863 175.828 174.900 0.109 0.000 1.349 334 G CA -0.005 45.143 45.100 0.081 0.000 1.037 334 G HN 0.714 nan 8.290 nan 0.000 0.508 335 A N -1.426 121.463 122.820 0.116 0.000 1.933 335 A HA 0.019 4.339 4.320 -0.001 0.000 0.218 335 A C 2.544 180.213 177.584 0.142 0.000 1.175 335 A CA 1.757 53.882 52.037 0.147 0.000 0.628 335 A CB -0.712 18.425 19.000 0.229 0.000 0.814 335 A HN 0.519 nan 8.150 nan 0.000 0.444 336 V N 0.472 120.459 119.914 0.121 0.000 2.324 336 V HA -0.288 3.832 4.120 -0.001 0.000 0.250 336 V C 2.386 178.561 176.094 0.133 0.000 1.060 336 V CA 2.092 64.459 62.300 0.112 0.000 1.042 336 V CB -0.510 31.364 31.823 0.085 0.000 0.650 336 V HN 0.547 nan 8.190 nan 0.000 0.450 337 I N -1.106 119.558 120.570 0.157 0.000 2.277 337 I HA -0.147 4.022 4.170 -0.001 0.000 0.243 337 I C 2.377 178.697 176.117 0.337 0.000 1.094 337 I CA 1.570 63.013 61.300 0.238 0.000 1.393 337 I CB -1.189 36.928 38.000 0.195 0.000 1.078 337 I HN 0.285 nan 8.210 nan 0.000 0.417 338 M N 0.221 119.974 119.600 0.254 0.000 2.267 338 M HA -0.216 4.264 4.480 -0.001 0.000 0.263 338 M C 1.934 178.339 176.300 0.175 0.000 1.063 338 M CA 1.526 56.970 55.300 0.240 0.000 1.090 338 M CB -0.539 32.138 32.600 0.127 0.000 1.392 338 M HN 0.240 nan 8.290 nan 0.000 0.422 339 E N -0.038 120.231 120.200 0.114 0.000 2.265 339 E HA -0.115 4.235 4.350 -0.001 0.000 0.196 339 E C 1.991 178.582 176.600 -0.016 0.000 0.996 339 E CA 0.860 57.290 56.400 0.050 0.000 0.832 339 E CB -0.164 29.582 29.700 0.077 0.000 0.756 339 E HN 0.630 nan 8.360 nan 0.000 0.491 340 G N -0.258 108.475 108.800 -0.112 0.000 2.813 340 G HA2 0.031 3.991 3.960 -0.001 0.000 0.209 340 G HA3 0.031 3.991 3.960 -0.001 0.000 0.209 340 G C 0.136 174.535 174.900 -0.835 0.000 1.150 340 G CA 0.088 44.869 45.100 -0.532 0.000 0.785 340 G HN -0.013 nan 8.290 nan 0.000 0.535 341 F N -2.579 117.410 119.950 0.065 0.000 2.629 341 F HA 0.507 5.033 4.527 -0.001 0.000 0.316 341 F C -1.057 174.793 175.800 0.083 0.000 1.081 341 F CA -1.846 56.197 58.000 0.072 0.000 0.954 341 F CB 1.412 40.495 39.000 0.139 0.000 1.337 341 F HN -0.121 nan 8.300 nan 0.000 0.474 342 Y N 2.066 122.433 120.300 0.112 0.000 2.353 342 Y HA 0.678 5.227 4.550 -0.001 0.000 0.340 342 Y C -1.077 174.693 175.900 -0.216 0.000 0.972 342 Y CA -1.479 56.597 58.100 -0.041 0.000 1.157 342 Y CB 0.824 39.272 38.460 -0.020 0.000 1.157 342 Y HN 0.296 nan 8.280 nan 0.000 0.495 343 V N 7.299 126.897 119.914 -0.527 0.000 2.384 343 V HA 0.399 4.519 4.120 -0.001 0.000 0.287 343 V C -0.588 174.936 176.094 -0.951 0.000 1.020 343 V CA -0.995 60.781 62.300 -0.873 0.000 0.850 343 V CB 1.294 32.646 31.823 -0.785 0.000 0.987 343 V HN 0.535 nan 8.190 nan 0.000 0.436 344 V N 5.502 124.792 119.914 -1.040 0.000 2.370 344 V HA 0.431 4.550 4.120 -0.001 0.000 0.283 344 V C -0.523 175.076 176.094 -0.825 0.000 1.023 344 V CA -0.324 61.507 62.300 -0.781 0.000 0.857 344 V CB 1.137 32.620 31.823 -0.568 0.000 0.985 344 V HN 0.700 nan 8.190 nan 0.000 0.443 345 F N 2.841 122.290 119.950 -0.834 0.000 2.384 345 F HA 0.318 4.845 4.527 -0.001 0.000 0.359 345 F C 0.691 176.118 175.800 -0.621 0.000 1.143 345 F CA -0.684 56.757 58.000 -0.931 0.000 1.216 345 F CB 0.501 38.448 39.000 -1.756 0.000 1.512 345 F HN 0.421 nan 8.300 nan 0.000 0.573 346 D N 2.878 123.169 120.400 -0.182 0.000 2.483 346 D HA 0.132 4.771 4.640 -0.001 0.000 0.220 346 D C 1.339 177.665 176.300 0.044 0.000 1.173 346 D CA 0.042 54.004 54.000 -0.063 0.000 0.964 346 D CB 0.358 41.134 40.800 -0.041 0.000 1.046 346 D HN 0.440 nan 8.370 nan 0.000 0.517 347 R N 1.839 122.391 120.500 0.087 0.000 2.115 347 R HA -0.045 4.295 4.340 -0.001 0.000 0.230 347 R C 2.101 178.515 176.300 0.190 0.000 1.111 347 R CA 1.228 57.473 56.100 0.243 0.000 0.976 347 R CB 0.012 30.483 30.300 0.285 0.000 0.870 347 R HN 0.362 nan 8.270 nan 0.000 0.445 348 A N 1.182 124.079 122.820 0.129 0.000 1.908 348 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 348 A C 1.691 179.310 177.584 0.058 0.000 1.181 348 A CA 1.296 53.391 52.037 0.096 0.000 0.627 348 A CB -0.163 18.882 19.000 0.075 0.000 0.818 348 A HN 0.185 nan 8.150 nan 0.000 0.445 349 R N -1.004 119.512 120.500 0.027 0.000 2.609 349 R HA 0.210 4.549 4.340 -0.001 0.000 0.326 349 R C -0.554 175.757 176.300 0.019 0.000 1.090 349 R CA -0.226 55.869 56.100 -0.008 0.000 1.072 349 R CB 0.065 30.312 30.300 -0.087 0.000 1.330 349 R HN 0.385 nan 8.270 nan 0.000 0.572 350 K N 1.912 122.358 120.400 0.076 0.000 3.540 350 K HA -0.264 4.056 4.320 -0.001 0.000 0.274 350 K C -0.591 176.082 176.600 0.121 0.000 0.890 350 K CA 1.084 57.438 56.287 0.111 0.000 0.701 350 K CB -1.045 31.494 32.500 0.065 0.000 1.523 350 K HN 0.496 nan 8.250 nan 0.000 0.450 351 R N -0.767 119.808 120.500 0.125 0.000 2.710 351 R HA 0.646 4.986 4.340 -0.001 0.000 0.270 351 R C -1.125 175.248 176.300 0.122 0.000 1.021 351 R CA -1.121 55.065 56.100 0.143 0.000 0.889 351 R CB 1.298 31.659 30.300 0.101 0.000 1.243 351 R HN 0.060 nan 8.270 nan 0.000 0.464 352 I N 1.077 121.724 120.570 0.128 0.000 2.466 352 I HA 0.449 4.619 4.170 -0.001 0.000 0.289 352 I C -0.057 175.955 176.117 -0.174 0.000 1.026 352 I CA -0.936 60.261 61.300 -0.171 0.000 1.078 352 I CB 2.342 40.191 38.000 -0.253 0.000 1.249 352 I HN 0.878 nan 8.210 nan 0.000 0.429 353 G N 5.374 113.809 108.800 -0.608 0.000 2.371 353 G HA2 0.723 4.683 3.960 -0.001 0.000 0.326 353 G HA3 0.723 4.683 3.960 -0.001 0.000 0.326 353 G C -1.280 173.071 174.900 -0.914 0.000 1.127 353 G CA -0.207 44.278 45.100 -1.025 0.000 0.885 353 G HN 0.314 nan 8.290 nan 0.000 0.477 354 F N 0.476 120.091 119.950 -0.558 0.000 2.532 354 F HA 0.775 5.302 4.527 -0.000 0.000 0.321 354 F C 0.422 176.064 175.800 -0.263 0.000 1.089 354 F CA -0.706 57.075 58.000 -0.365 0.000 0.926 354 F CB 2.710 41.520 39.000 -0.317 0.000 1.168 354 F HN 0.715 nan 8.300 nan 0.000 0.459 355 A N 1.204 124.063 122.820 0.064 0.000 2.572 355 A HA 0.726 5.046 4.320 -0.001 0.000 0.295 355 A C -1.418 176.371 177.584 0.342 0.000 1.072 355 A CA -0.847 51.272 52.037 0.138 0.000 0.691 355 A CB 1.067 19.982 19.000 -0.142 0.000 1.291 355 A HN 0.472 nan 8.150 nan 0.000 0.404 356 V N 1.628 121.704 119.914 0.271 0.000 2.617 356 V HA 0.221 4.340 4.120 -0.001 0.000 0.304 356 V C 1.217 177.321 176.094 0.017 0.000 1.040 356 V CA 0.563 62.881 62.300 0.031 0.000 1.149 356 V CB 1.204 32.919 31.823 -0.179 0.000 0.914 356 V HN 0.937 nan 8.190 nan 0.000 0.487 357 S N 3.963 119.605 115.700 -0.097 0.000 2.548 357 S HA 0.404 4.874 4.470 -0.001 0.000 0.277 357 S C 1.287 175.917 174.600 0.050 0.000 1.315 357 S CA -0.147 58.071 58.200 0.029 0.000 1.050 357 S CB 1.337 64.555 63.200 0.030 0.000 0.918 357 S HN 0.983 nan 8.310 nan 0.000 0.497 358 A N 3.123 125.968 122.820 0.042 0.000 2.070 358 A HA -0.058 4.262 4.320 -0.001 0.000 0.220 358 A C 1.898 179.545 177.584 0.106 0.000 1.159 358 A CA 1.402 53.471 52.037 0.052 0.000 0.656 358 A CB -1.100 17.868 19.000 -0.052 0.000 0.800 358 A HN 1.259 nan 8.150 nan 0.000 0.453 359 c N -0.547 118.103 118.600 0.083 0.000 2.778 359 c HA 0.392 4.962 4.570 -0.001 0.000 0.294 359 c C 0.800 174.929 174.090 0.065 0.000 1.331 359 c CA -0.392 55.972 56.329 0.059 0.000 1.741 359 c CB -1.979 40.542 42.510 0.018 0.000 2.106 359 c HN 0.651 nan 8.230 nan 0.000 0.603 360 H N 0.411 119.444 119.070 -0.062 0.000 2.707 360 H HA 0.435 4.991 4.556 -0.001 0.000 0.359 360 H C -0.560 174.717 175.328 -0.084 0.000 1.113 360 H CA -0.166 55.801 56.048 -0.134 0.000 1.422 360 H CB 0.727 30.328 29.762 -0.268 0.000 1.443 360 H HN 0.152 nan 8.280 nan 0.000 0.591 361 V N 4.827 124.569 119.914 -0.287 0.000 2.446 361 V HA -0.024 4.095 4.120 -0.001 0.000 0.276 361 V C 0.432 176.222 176.094 -0.506 0.000 1.030 361 V CA 0.103 62.218 62.300 -0.308 0.000 1.033 361 V CB -0.897 30.792 31.823 -0.224 0.000 0.993 361 V HN 0.751 nan 8.190 nan 0.000 0.477 362 H N 2.679 121.402 119.070 -0.580 0.000 2.597 362 H HA 0.432 4.987 4.556 -0.001 0.000 0.370 362 H C 0.136 175.243 175.328 -0.368 0.000 1.281 362 H CA -0.136 55.634 56.048 -0.462 0.000 1.422 362 H CB 0.579 30.136 29.762 -0.342 0.000 1.524 362 H HN 0.757 nan 8.280 nan 0.000 0.607 363 D N 0.108 120.412 120.400 -0.161 0.000 2.671 363 D HA 0.047 4.687 4.640 -0.001 0.000 0.232 363 D C 0.808 177.003 176.300 -0.175 0.000 1.114 363 D CA -0.497 53.359 54.000 -0.240 0.000 0.858 363 D CB 1.917 42.580 40.800 -0.229 0.000 1.544 363 D HN 0.619 nan 8.370 nan 0.000 0.471 364 E N 2.219 122.264 120.200 -0.259 0.000 2.114 364 E HA -0.203 4.146 4.350 -0.001 0.000 0.199 364 E C 0.568 176.831 176.600 -0.560 0.000 1.008 364 E CA 2.025 58.125 56.400 -0.501 0.000 0.810 364 E CB -0.112 29.142 29.700 -0.743 0.000 0.739 364 E HN 0.587 nan 8.360 nan 0.000 0.456 365 F N -1.619 118.343 119.950 0.019 0.000 2.784 365 F HA 0.390 4.917 4.527 -0.001 0.000 0.323 365 F C 0.439 176.257 175.800 0.030 0.000 1.085 365 F CA -0.531 57.486 58.000 0.029 0.000 1.196 365 F CB 0.721 39.742 39.000 0.035 0.000 1.053 365 F HN -0.317 nan 8.300 nan 0.000 0.578 366 R N 0.259 120.855 120.500 0.160 0.000 2.670 366 R HA 0.532 4.871 4.340 -0.001 0.000 0.289 366 R C -0.617 175.718 176.300 0.057 0.000 0.965 366 R CA -0.608 55.558 56.100 0.110 0.000 0.899 366 R CB 1.872 32.234 30.300 0.105 0.000 1.173 366 R HN -0.069 nan 8.270 nan 0.000 0.456 367 T N -0.860 113.727 114.554 0.055 0.000 2.792 367 T HA 0.636 4.985 4.350 -0.001 0.000 0.280 367 T C 0.392 175.095 174.700 0.005 0.000 0.990 367 T CA -0.900 61.221 62.100 0.035 0.000 0.960 367 T CB 1.724 70.623 68.868 0.051 0.000 0.939 367 T HN 0.673 nan 8.240 nan 0.000 0.439 368 A N 2.614 125.411 122.820 -0.039 0.000 2.521 368 A HA 0.619 4.939 4.320 -0.001 0.000 0.237 368 A C 0.692 178.234 177.584 -0.070 0.000 1.087 368 A CA 0.016 51.992 52.037 -0.101 0.000 0.777 368 A CB -0.642 18.175 19.000 -0.305 0.000 1.035 368 A HN 2.006 nan 8.150 nan 0.000 0.510 369 A N -0.443 122.386 122.820 0.016 0.000 2.605 369 A HA 0.600 4.920 4.320 -0.001 0.000 0.294 369 A C -1.220 176.447 177.584 0.140 0.000 1.062 369 A CA -0.335 51.737 52.037 0.060 0.000 0.682 369 A CB 1.114 20.136 19.000 0.037 0.000 1.278 369 A HN 1.497 nan 8.150 nan 0.000 0.410 370 V N 2.178 122.170 119.914 0.131 0.000 2.487 370 V HA 0.729 4.849 4.120 -0.001 0.000 0.298 370 V C -0.301 175.762 176.094 -0.052 0.000 1.028 370 V CA -0.204 62.140 62.300 0.074 0.000 0.860 370 V CB 1.232 33.157 31.823 0.169 0.000 0.991 370 V HN 1.088 nan 8.190 nan 0.000 0.427 371 E N 3.502 123.549 120.200 -0.255 0.000 2.423 371 E HA 0.857 5.206 4.350 -0.001 0.000 0.280 371 E C -0.504 175.705 176.600 -0.652 0.000 1.030 371 E CA -0.812 55.337 56.400 -0.419 0.000 0.812 371 E CB 2.565 32.208 29.700 -0.095 0.000 1.313 371 E HN 0.888 nan 8.360 nan 0.000 0.456 372 G N 0.482 108.741 108.800 -0.900 0.000 2.342 372 G HA2 0.466 4.425 3.960 -0.001 0.000 0.297 372 G HA3 0.466 4.425 3.960 -0.001 0.000 0.297 372 G C -3.079 171.471 174.900 -0.582 0.000 1.313 372 G CA -0.691 43.783 45.100 -1.043 0.000 0.830 372 G HN 0.510 nan 8.290 nan 0.000 0.506 373 P HA 0.724 nan 4.420 nan 0.000 0.282 373 P C -1.355 175.659 177.300 -0.476 0.000 1.259 373 P CA -0.405 62.565 63.100 -0.217 0.000 0.826 373 P CB 1.234 33.005 31.700 0.118 0.000 1.064 374 F N -0.765 119.208 119.950 0.039 0.000 2.575 374 F HA 0.411 4.937 4.527 -0.001 0.000 0.330 374 F C 0.221 176.059 175.800 0.064 0.000 1.056 374 F CA -1.021 57.017 58.000 0.064 0.000 0.964 374 F CB 1.637 40.714 39.000 0.127 0.000 1.258 374 F HN -0.066 nan 8.300 nan 0.000 0.484 375 V N 1.195 121.237 119.914 0.214 0.000 2.370 375 V HA 0.503 4.622 4.120 -0.001 0.000 0.279 375 V C -0.619 175.534 176.094 0.099 0.000 1.029 375 V CA -0.380 61.997 62.300 0.128 0.000 0.870 375 V CB 1.250 33.124 31.823 0.084 0.000 0.984 375 V HN 0.803 nan 8.190 nan 0.000 0.451 376 T N 6.272 120.873 114.554 0.078 0.000 2.965 376 T HA 0.528 4.878 4.350 -0.001 0.000 0.306 376 T C -0.422 174.299 174.700 0.034 0.000 0.991 376 T CA -0.441 61.678 62.100 0.032 0.000 1.001 376 T CB 0.913 69.790 68.868 0.015 0.000 0.984 376 T HN 0.306 nan 8.240 nan 0.000 0.446 377 L N 2.406 123.641 121.223 0.020 0.000 2.399 377 L HA 0.405 4.745 4.340 -0.001 0.000 0.266 377 L C 0.149 177.029 176.870 0.016 0.000 1.114 377 L CA -0.568 54.285 54.840 0.021 0.000 0.804 377 L CB 0.287 42.355 42.059 0.014 0.000 1.146 377 L HN 0.670 nan 8.230 nan 0.000 0.451 378 D N 1.496 121.908 120.400 0.019 0.000 2.723 378 D HA -0.214 4.425 4.640 -0.001 0.000 0.236 378 D C 0.910 177.222 176.300 0.021 0.000 1.138 378 D CA 0.787 54.796 54.000 0.015 0.000 0.676 378 D CB -0.679 40.125 40.800 0.005 0.000 1.069 378 D HN 0.593 nan 8.370 nan 0.000 0.430 379 M N -0.511 119.108 119.600 0.032 0.000 2.254 379 M HA -0.142 4.337 4.480 -0.001 0.000 0.265 379 M C 1.901 178.228 176.300 0.045 0.000 1.066 379 M CA 1.434 56.758 55.300 0.040 0.000 1.123 379 M CB -0.035 32.596 32.600 0.051 0.000 1.388 379 M HN 0.007 nan 8.290 nan 0.000 0.425 380 E N 0.776 121.000 120.200 0.041 0.000 2.130 380 E HA -0.215 4.134 4.350 -0.001 0.000 0.196 380 E C 1.347 177.968 176.600 0.034 0.000 0.998 380 E CA 1.358 57.782 56.400 0.040 0.000 0.806 380 E CB -0.412 29.305 29.700 0.029 0.000 0.738 380 E HN 0.417 nan 8.360 nan 0.000 0.459 381 D N -0.329 120.084 120.400 0.022 0.000 2.351 381 D HA -0.098 4.541 4.640 -0.001 0.000 0.216 381 D C 1.175 177.490 176.300 0.025 0.000 0.968 381 D CA 0.630 54.637 54.000 0.012 0.000 0.899 381 D CB -0.309 40.490 40.800 -0.001 0.000 0.907 381 D HN 0.288 nan 8.370 nan 0.000 0.514 382 c N 0.525 119.153 118.600 0.046 0.000 2.481 382 c HA 0.190 4.759 4.570 -0.001 0.000 0.275 382 c C 1.665 175.820 174.090 0.109 0.000 1.419 382 c CA -0.287 56.084 56.329 0.071 0.000 1.773 382 c CB -1.101 41.464 42.510 0.090 0.000 1.862 382 c HN 0.244 nan 8.230 nan 0.000 0.530 383 G N -0.670 108.191 108.800 0.102 0.000 2.378 383 G HA2 0.318 4.278 3.960 -0.001 0.000 0.255 383 G HA3 0.318 4.278 3.960 -0.001 0.000 0.255 383 G C -0.792 174.202 174.900 0.158 0.000 1.270 383 G CA 0.034 45.217 45.100 0.138 0.000 0.876 383 G HN 0.495 nan 8.290 nan 0.000 0.521 384 Y N 2.778 123.139 120.300 0.101 0.000 2.335 384 Y HA 0.318 4.868 4.550 -0.001 0.000 0.331 384 Y C 0.505 176.463 175.900 0.096 0.000 1.094 384 Y CA -0.197 57.968 58.100 0.109 0.000 1.253 384 Y CB 0.771 39.345 38.460 0.190 0.000 1.203 384 Y HN 0.644 nan 8.280 nan 0.000 0.508 385 N N 0.000 118.483 118.700 -0.361 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 385 N CA 0.000 52.912 53.050 -0.229 0.000 0.885 385 N CB 0.000 38.399 38.487 -0.147 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667