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 2wsp_1_A DATA FIRST_RESID 5 DATA SEQUENCE KPRYKPDWES LREHTVPKWF DKAKFGIFIH WGIYSVPGWA TPTGELGXVP DATA SEQUENCE MDAWFFQNPY AEWYENSLRI KESPTWEYHV KTYGENFEYE KFADLFTAEK DATA SEQUENCE WDPQEWADLF KKAGAKYVIP TTKHHDGFCL WGTKYTDFNS VKRGPKRDLV DATA SEQUENCE GDLAKAVREA GLRFGVYYSG GLDWRFTTEP IRYPEDLSYI RPNTYEYADY DATA SEQUENCE AYKQVMELVD LYLPDVLWNG MGWPEKGKED LKYLFAYYYN KHPEGSVNDR DATA SEQUENCE WGVPHWDFKT AEYXXXXXXX LPGYKWEFTR GIGLSFGYNR NEGPEHMLSV DATA SEQUENCE EQLVYTLVDV VSKGGNLLLN VGPKGDGTIP DLQKERLLGL GEWLRKYGDA DATA SEQUENCE IYGTSVWERC CAKTEDGTEI RFTRKCNRIF VIFLGIPTGE KIVIEDLNLS DATA SEQUENCE AGTVRHFLTG ERLSFKNVGK NLEITVPKKL LETDSITLVL EAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.583 176.600 -0.029 0.000 0.988 5 K CA 0.000 56.271 56.287 -0.026 0.000 0.838 5 K CB 0.000 32.491 32.500 -0.016 0.000 1.064 6 P HA 0.294 nan 4.420 nan 0.000 0.293 6 P C -0.168 177.098 177.300 -0.058 0.000 1.313 6 P CA -0.311 62.780 63.100 -0.016 0.000 0.787 6 P CB 1.656 33.363 31.700 0.012 0.000 0.910 7 R N 2.018 122.441 120.500 -0.129 0.000 2.075 7 R HA 0.042 4.382 4.340 0.001 0.000 0.220 7 R C 0.008 176.114 176.300 -0.324 0.000 1.118 7 R CA 0.574 56.489 56.100 -0.308 0.000 0.986 7 R CB -0.057 29.906 30.300 -0.561 0.000 0.884 7 R HN 0.396 nan 8.270 nan 0.000 0.439 8 Y N 1.585 121.897 120.300 0.019 0.000 2.316 8 Y HA 0.269 4.819 4.550 0.000 0.000 0.331 8 Y C -0.037 175.867 175.900 0.007 0.000 1.083 8 Y CA -0.260 57.853 58.100 0.023 0.000 1.206 8 Y CB 1.054 39.565 38.460 0.084 0.000 1.195 8 Y HN -0.157 nan 8.280 nan 0.000 0.497 9 K N 4.689 125.163 120.400 0.124 0.000 2.118 9 K HA 0.336 4.657 4.320 0.001 0.000 0.254 9 K C -2.460 174.117 176.600 -0.037 0.000 0.961 9 K CA -2.048 54.260 56.287 0.034 0.000 0.876 9 K CB 1.048 33.544 32.500 -0.006 0.000 1.077 9 K HN 0.313 nan 8.250 nan 0.000 0.440 10 P HA 0.029 nan 4.420 nan 0.000 0.226 10 P C -1.675 175.323 177.300 -0.504 0.000 1.783 10 P CA 0.013 62.919 63.100 -0.323 0.000 0.980 10 P CB -0.605 30.938 31.700 -0.261 0.000 1.967 11 D N -2.020 118.117 120.400 -0.438 0.000 2.655 11 D HA 0.179 4.819 4.640 0.001 0.000 0.229 11 D C 0.372 176.444 176.300 -0.380 0.000 1.229 11 D CA -0.897 52.778 54.000 -0.542 0.000 0.807 11 D CB 0.104 40.721 40.800 -0.305 0.000 1.514 11 D HN -0.071 nan 8.370 nan 0.000 0.444 12 W N 0.336 121.575 121.300 -0.101 0.000 2.342 12 W HA -0.048 4.612 4.660 0.000 0.000 0.297 12 W C 2.133 178.614 176.519 -0.062 0.000 1.213 12 W CA 0.875 58.173 57.345 -0.078 0.000 1.251 12 W CB -0.097 29.338 29.460 -0.042 0.000 1.136 12 W HN 0.653 nan 8.180 nan 0.000 0.526 13 E N 0.415 120.699 120.200 0.139 0.000 2.085 13 E HA -0.259 4.092 4.350 0.001 0.000 0.194 13 E C 2.315 178.942 176.600 0.045 0.000 0.994 13 E CA 1.760 58.207 56.400 0.078 0.000 0.801 13 E CB -0.332 29.397 29.700 0.047 0.000 0.743 13 E HN 0.101 nan 8.360 nan 0.000 0.453 14 S N -0.438 115.272 115.700 0.017 0.000 2.406 14 S HA -0.033 4.437 4.470 0.001 0.000 0.228 14 S C 1.852 176.497 174.600 0.076 0.000 1.020 14 S CA 0.590 58.811 58.200 0.035 0.000 0.965 14 S CB -0.118 63.090 63.200 0.014 0.000 0.798 14 S HN 0.312 nan 8.310 nan 0.000 0.488 15 L N 1.187 122.404 121.223 -0.011 0.000 2.395 15 L HA 0.163 4.503 4.340 0.001 0.000 0.218 15 L C 2.519 179.241 176.870 -0.248 0.000 1.130 15 L CA 0.741 55.474 54.840 -0.179 0.000 0.826 15 L CB -0.362 41.492 42.059 -0.343 0.000 0.941 15 L HN 0.301 nan 8.230 nan 0.000 0.451 16 R N 0.930 121.419 120.500 -0.019 0.000 2.152 16 R HA -0.192 4.148 4.340 0.001 0.000 0.232 16 R C 1.869 178.206 176.300 0.060 0.000 1.117 16 R CA 1.358 57.500 56.100 0.070 0.000 0.981 16 R CB -0.131 30.198 30.300 0.048 0.000 0.870 16 R HN 0.384 nan 8.270 nan 0.000 0.451 17 E N -0.175 120.077 120.200 0.088 0.000 2.171 17 E HA -0.215 4.136 4.350 0.001 0.000 0.197 17 E C 0.179 176.864 176.600 0.142 0.000 0.997 17 E CA 0.675 57.148 56.400 0.121 0.000 0.810 17 E CB -0.226 29.575 29.700 0.169 0.000 0.738 17 E HN 0.415 nan 8.360 nan 0.000 0.467 18 H N 1.816 120.873 119.070 -0.021 0.000 3.089 18 H HA 0.046 4.602 4.556 0.001 0.000 0.262 18 H C -0.384 174.831 175.328 -0.189 0.000 1.160 18 H CA 0.193 56.068 56.048 -0.287 0.000 1.482 18 H CB 0.064 29.155 29.762 -1.118 0.000 1.511 18 H HN 0.004 nan 8.280 nan 0.000 0.483 19 T N 1.018 115.348 114.554 -0.373 0.000 2.881 19 T HA 0.151 4.502 4.350 0.001 0.000 0.278 19 T C 0.616 175.100 174.700 -0.360 0.000 0.982 19 T CA -0.923 61.025 62.100 -0.253 0.000 0.989 19 T CB 1.737 70.514 68.868 -0.151 0.000 1.058 19 T HN 0.347 nan 8.240 nan 0.000 0.529 20 V N 3.085 122.910 119.914 -0.148 0.000 2.644 20 V HA 0.192 4.313 4.120 0.001 0.000 0.305 20 V C -2.128 173.858 176.094 -0.180 0.000 1.053 20 V CA -1.262 60.975 62.300 -0.105 0.000 1.186 20 V CB -0.193 31.660 31.823 0.049 0.000 0.895 20 V HN 0.832 nan 8.190 nan 0.000 0.490 21 P HA 0.222 nan 4.420 nan 0.000 0.271 21 P C 0.395 177.578 177.300 -0.196 0.000 1.216 21 P CA -0.251 62.729 63.100 -0.200 0.000 0.776 21 P CB 0.499 32.110 31.700 -0.148 0.000 0.881 22 K N 2.286 122.656 120.400 -0.050 0.000 2.074 22 K HA -0.173 4.147 4.320 0.001 0.000 0.209 22 K C 1.968 178.587 176.600 0.032 0.000 1.048 22 K CA 1.883 58.175 56.287 0.009 0.000 0.926 22 K CB -0.431 32.109 32.500 0.067 0.000 0.713 22 K HN 0.708 nan 8.250 nan 0.000 0.444 23 W N 0.721 122.075 121.300 0.091 0.000 2.325 23 W HA -0.251 4.409 4.660 0.001 0.000 0.299 23 W C 1.644 178.223 176.519 0.100 0.000 1.215 23 W CA 0.637 58.039 57.345 0.095 0.000 1.244 23 W CB -1.057 28.464 29.460 0.101 0.000 1.140 23 W HN -0.000 nan 8.180 nan 0.000 0.523 24 F N 2.759 122.033 119.950 -1.126 0.000 2.128 24 F HA -0.167 4.360 4.527 0.001 0.000 0.295 24 F C 2.420 177.933 175.800 -0.478 0.000 1.100 24 F CA 2.554 59.800 58.000 -1.258 0.000 1.260 24 F CB -0.761 37.310 39.000 -1.548 0.000 1.009 24 F HN -0.146 nan 8.300 nan 0.000 0.476 25 D N 0.140 120.422 120.400 -0.197 0.000 2.149 25 D HA -0.206 4.434 4.640 0.001 0.000 0.198 25 D C 1.908 178.153 176.300 -0.093 0.000 0.990 25 D CA 1.598 55.527 54.000 -0.118 0.000 0.839 25 D CB -0.148 40.644 40.800 -0.014 0.000 0.948 25 D HN 0.277 nan 8.370 nan 0.000 0.460 26 K N -0.406 119.984 120.400 -0.016 0.000 2.296 26 K HA 0.138 4.458 4.320 0.001 0.000 0.200 26 K C 2.028 178.710 176.600 0.136 0.000 1.048 26 K CA 0.626 56.960 56.287 0.078 0.000 0.966 26 K CB 0.136 32.713 32.500 0.129 0.000 0.754 26 K HN 0.132 nan 8.250 nan 0.000 0.466 27 A N 1.487 124.367 122.820 0.101 0.000 1.898 27 A HA -0.173 4.147 4.320 0.001 0.000 0.216 27 A C 1.122 178.870 177.584 0.273 0.000 1.181 27 A CA 1.825 54.012 52.037 0.250 0.000 0.620 27 A CB -0.100 19.114 19.000 0.356 0.000 0.819 27 A HN 0.205 nan 8.150 nan 0.000 0.442 28 K N -4.470 115.970 120.400 0.066 0.000 3.658 28 K HA -0.201 4.119 4.320 0.001 0.000 0.372 28 K C -0.208 176.475 176.600 0.138 0.000 0.598 28 K CA 1.913 58.223 56.287 0.038 0.000 1.635 28 K CB -1.408 31.121 32.500 0.048 0.000 1.178 28 K HN 0.729 nan 8.250 nan 0.000 0.470 29 F N -0.275 119.691 119.950 0.025 0.000 2.585 29 F HA 0.619 5.146 4.527 0.001 0.000 0.319 29 F C -0.101 175.521 175.800 -0.297 0.000 1.165 29 F CA -0.351 57.601 58.000 -0.081 0.000 0.949 29 F CB 1.611 40.611 39.000 0.000 0.000 1.218 29 F HN 0.054 nan 8.300 nan 0.000 0.453 30 G N 5.537 113.763 108.800 -0.957 0.000 2.605 30 G HA2 0.652 4.612 3.960 0.001 0.000 0.296 30 G HA3 0.652 4.612 3.960 0.001 0.000 0.296 30 G C -1.920 172.371 174.900 -1.016 0.000 1.304 30 G CA -0.851 43.303 45.100 -1.576 0.000 0.941 30 G HN 0.462 nan 8.290 nan 0.000 0.475 31 I N 0.819 120.894 120.570 -0.825 0.000 2.404 31 I HA 0.396 4.566 4.170 0.001 0.000 0.293 31 I C -0.951 174.961 176.117 -0.341 0.000 0.992 31 I CA -0.795 60.158 61.300 -0.577 0.000 1.149 31 I CB 1.480 38.955 38.000 -0.876 0.000 1.315 31 I HN 0.215 nan 8.210 nan 0.000 0.446 32 F N 6.789 126.564 119.950 -0.292 0.000 2.399 32 F HA 0.544 5.072 4.527 0.001 0.000 0.334 32 F C 0.176 175.889 175.800 -0.145 0.000 1.097 32 F CA -1.305 56.584 58.000 -0.185 0.000 1.076 32 F CB 1.047 39.998 39.000 -0.082 0.000 1.162 32 F HN 0.175 nan 8.300 nan 0.000 0.495 33 I N 5.100 125.800 120.570 0.217 0.000 2.439 33 I HA 0.161 4.331 4.170 0.001 0.000 0.283 33 I C -1.211 174.941 176.117 0.059 0.000 1.023 33 I CA -0.719 60.650 61.300 0.115 0.000 1.100 33 I CB 1.294 39.407 38.000 0.187 0.000 1.238 33 I HN 0.417 nan 8.210 nan 0.000 0.445 34 H N 5.235 124.264 119.070 -0.069 0.000 2.741 34 H HA 0.292 4.849 4.556 0.001 0.000 0.282 34 H C -1.310 174.195 175.328 0.296 0.000 1.122 34 H CA -0.015 56.010 56.048 -0.039 0.000 1.293 34 H CB 0.541 30.155 29.762 -0.248 0.000 1.415 34 H HN 0.531 nan 8.280 nan 0.000 0.472 35 W N 3.914 125.296 121.300 0.136 0.000 2.884 35 W HA 0.576 5.237 4.660 0.001 0.000 0.336 35 W C -0.658 175.659 176.519 -0.336 0.000 1.038 35 W CA -0.839 56.514 57.345 0.013 0.000 1.247 35 W CB 1.290 30.866 29.460 0.193 0.000 1.351 35 W HN 0.644 nan 8.180 nan 0.000 0.446 36 G N 3.842 111.899 108.800 -1.238 0.000 2.815 36 G HA2 0.289 4.250 3.960 0.001 0.000 0.305 36 G HA3 0.289 4.250 3.960 0.001 0.000 0.305 36 G C 0.376 173.978 174.900 -2.162 0.000 1.277 36 G CA -0.175 43.876 45.100 -1.748 0.000 0.795 36 G HN 0.816 nan 8.290 nan 0.000 0.528 37 I N -1.248 118.277 120.570 -1.741 0.000 2.676 37 I HA 0.011 4.181 4.170 0.001 0.000 0.259 37 I C 2.258 177.854 176.117 -0.869 0.000 1.194 37 I CA 1.245 61.749 61.300 -1.326 0.000 1.473 37 I CB -0.483 36.897 38.000 -1.035 0.000 1.096 37 I HN 0.540 nan 8.210 nan 0.000 0.443 38 Y N 1.542 121.599 120.300 -0.406 0.000 2.403 38 Y HA -0.024 4.526 4.550 0.001 0.000 0.291 38 Y C 2.385 178.115 175.900 -0.282 0.000 1.143 38 Y CA 0.817 58.771 58.100 -0.243 0.000 1.257 38 Y CB -1.566 36.939 38.460 0.075 0.000 0.984 38 Y HN 0.099 nan 8.280 nan 0.000 0.550 39 S N 0.319 115.800 115.700 -0.366 0.000 2.402 39 S HA -0.142 4.328 4.470 0.001 0.000 0.229 39 S C 2.113 176.716 174.600 0.006 0.000 1.021 39 S CA 1.143 59.334 58.200 -0.014 0.000 0.974 39 S CB -0.695 62.532 63.200 0.045 0.000 0.800 39 S HN 0.384 nan 8.310 nan 0.000 0.484 40 V N 3.301 123.071 119.914 -0.240 0.000 2.233 40 V HA -0.131 3.989 4.120 0.001 0.000 0.247 40 V C -0.187 175.807 176.094 -0.167 0.000 1.050 40 V CA 1.877 64.081 62.300 -0.160 0.000 1.010 40 V CB -1.773 29.918 31.823 -0.220 0.000 0.637 40 V HN 0.391 nan 8.190 nan 0.000 0.444 41 P HA -0.054 nan 4.420 nan 0.000 0.219 41 P C 1.196 178.522 177.300 0.043 0.000 1.150 41 P CA 1.662 64.616 63.100 -0.243 0.000 0.814 41 P CB -0.348 30.838 31.700 -0.857 0.000 0.787 42 G N 0.180 108.977 108.800 -0.006 0.000 2.357 42 G HA2 -0.208 3.753 3.960 0.001 0.000 0.282 42 G HA3 -0.208 3.753 3.960 0.001 0.000 0.282 42 G C -0.734 174.144 174.900 -0.037 0.000 0.910 42 G CA 0.234 45.370 45.100 0.060 0.000 1.267 42 G HN 0.439 nan 8.290 nan 0.000 0.476 43 W N 0.236 121.462 121.300 -0.122 0.000 3.129 43 W HA 0.683 5.344 4.660 0.001 0.000 0.333 43 W C -0.395 176.084 176.519 -0.067 0.000 1.141 43 W CA -0.042 57.188 57.345 -0.192 0.000 1.224 43 W CB 1.703 30.942 29.460 -0.369 0.000 1.393 43 W HN 0.933 nan 8.180 nan 0.000 0.499 44 A N 2.103 124.451 122.820 -0.787 0.000 2.605 44 A HA 0.572 4.892 4.320 0.001 0.000 0.294 44 A C -0.513 176.409 177.584 -1.103 0.000 1.062 44 A CA -0.542 51.061 52.037 -0.723 0.000 0.682 44 A CB 0.888 19.712 19.000 -0.294 0.000 1.278 44 A HN 0.743 nan 8.150 nan 0.000 0.410 45 T N 0.565 114.621 114.554 -0.830 0.000 2.769 45 T HA 0.504 4.855 4.350 0.001 0.000 0.293 45 T C -2.485 171.927 174.700 -0.480 0.000 0.931 45 T CA -1.266 60.472 62.100 -0.603 0.000 1.139 45 T CB 0.234 68.897 68.868 -0.343 0.000 0.881 45 T HN 0.252 nan 8.240 nan 0.000 0.532 46 P HA 0.194 nan 4.420 nan 0.000 0.230 46 P C 0.907 178.045 177.300 -0.270 0.000 1.791 46 P CA -0.289 62.535 63.100 -0.460 0.000 1.020 46 P CB -0.194 31.003 31.700 -0.838 0.000 1.977 47 T N -0.953 113.446 114.554 -0.259 0.000 2.643 47 T HA 0.136 4.487 4.350 0.001 0.000 0.264 47 T C 1.139 175.795 174.700 -0.072 0.000 1.045 47 T CA 1.515 63.513 62.100 -0.170 0.000 1.155 47 T CB -0.340 68.384 68.868 -0.239 0.000 0.863 47 T HN 0.459 nan 8.240 nan 0.000 0.420 48 G N -0.390 108.373 108.800 -0.063 0.000 2.392 48 G HA2 0.453 4.414 3.960 0.001 0.000 0.260 48 G HA3 0.453 4.414 3.960 0.001 0.000 0.260 48 G C -1.940 173.049 174.900 0.148 0.000 1.226 48 G CA -0.809 44.323 45.100 0.053 0.000 0.913 48 G HN 0.236 nan 8.290 nan 0.000 0.483 49 E N -0.707 119.615 120.200 0.203 0.000 2.243 49 E HA 0.583 4.933 4.350 0.001 0.000 0.260 49 E C -0.289 176.485 176.600 0.290 0.000 0.985 49 E CA -0.823 55.737 56.400 0.266 0.000 0.858 49 E CB 2.116 31.919 29.700 0.171 0.000 1.210 49 E HN 0.345 nan 8.360 nan 0.000 0.411 50 L N 1.952 123.291 121.223 0.192 0.000 2.499 50 L HA 0.169 4.510 4.340 0.001 0.000 0.273 50 L C 0.865 177.832 176.870 0.161 0.000 1.195 50 L CA 0.754 55.580 54.840 -0.023 0.000 0.882 50 L CB -0.431 41.610 42.059 -0.031 0.000 1.133 50 L HN 0.822 nan 8.230 nan 0.000 0.483 54 P HA 0.119 nan 4.420 nan 0.000 0.260 54 P C 0.514 177.879 177.300 0.109 0.000 1.207 54 P CA -0.072 63.076 63.100 0.079 0.000 0.780 54 P CB 0.574 32.313 31.700 0.066 0.000 0.789 55 M N 2.771 122.404 119.600 0.055 0.000 2.629 55 M HA -0.118 4.362 4.480 0.001 0.000 0.257 55 M C 0.549 176.941 176.300 0.153 0.000 1.071 55 M CA 1.543 56.856 55.300 0.022 0.000 1.077 55 M CB -0.712 31.837 32.600 -0.086 0.000 1.423 55 M HN 0.170 nan 8.290 nan 0.000 0.508 56 D N -0.389 120.127 120.400 0.193 0.000 2.149 56 D HA -0.005 4.635 4.640 0.001 0.000 0.201 56 D C 1.737 178.248 176.300 0.352 0.000 0.972 56 D CA 1.523 55.711 54.000 0.313 0.000 0.835 56 D CB -0.121 40.814 40.800 0.225 0.000 0.966 56 D HN 0.445 nan 8.370 nan 0.000 0.476 57 A N -0.162 122.803 122.820 0.242 0.000 2.267 57 A HA 0.013 4.334 4.320 0.001 0.000 0.213 57 A C 1.641 179.370 177.584 0.241 0.000 1.192 57 A CA -0.322 51.866 52.037 0.251 0.000 0.851 57 A CB -0.854 18.199 19.000 0.088 0.000 0.881 57 A HN 0.367 nan 8.150 nan 0.000 0.494 58 W N 0.567 121.808 121.300 -0.099 0.000 2.302 58 W HA -0.285 4.376 4.660 0.001 0.000 0.320 58 W C 1.059 177.297 176.519 -0.468 0.000 1.241 58 W CA 2.102 59.215 57.345 -0.386 0.000 1.264 58 W CB -0.545 28.508 29.460 -0.678 0.000 1.154 58 W HN 0.411 nan 8.180 nan 0.000 0.483 59 F N -0.721 119.190 119.950 -0.065 0.000 2.407 59 F HA -0.062 4.465 4.527 0.001 0.000 0.299 59 F C 2.064 177.624 175.800 -0.401 0.000 1.097 59 F CA 1.067 58.875 58.000 -0.319 0.000 1.422 59 F CB -1.349 37.409 39.000 -0.403 0.000 1.067 59 F HN -0.242 nan 8.300 nan 0.000 0.539 60 F N -0.720 119.203 119.950 -0.044 0.000 2.367 60 F HA -0.006 4.521 4.527 0.001 0.000 0.298 60 F C 1.448 177.191 175.800 -0.095 0.000 1.094 60 F CA 0.805 58.765 58.000 -0.066 0.000 1.409 60 F CB -0.234 38.725 39.000 -0.068 0.000 1.064 60 F HN -0.119 nan 8.300 nan 0.000 0.528 61 Q N 0.668 120.457 119.800 -0.019 0.000 2.470 61 Q HA 0.117 4.458 4.340 0.001 0.000 0.389 61 Q C -0.781 174.977 176.000 -0.402 0.000 0.888 61 Q CA -0.259 55.458 55.803 -0.143 0.000 1.106 61 Q CB 0.175 28.843 28.738 -0.116 0.000 1.368 61 Q HN 0.110 nan 8.270 nan 0.000 0.403 62 N N 3.103 121.543 118.700 -0.433 0.000 2.438 62 N HA 0.038 4.778 4.740 0.001 0.000 0.267 62 N C -1.590 173.553 175.510 -0.611 0.000 1.222 62 N CA -1.131 51.474 53.050 -0.742 0.000 0.930 62 N CB 1.148 39.365 38.487 -0.448 0.000 1.083 62 N HN 0.123 nan 8.380 nan 0.000 0.476 63 P HA -0.037 nan 4.420 nan 0.000 0.241 63 P C -0.330 176.919 177.300 -0.085 0.000 1.191 63 P CA 0.621 63.435 63.100 -0.477 0.000 0.771 63 P CB 0.034 31.416 31.700 -0.530 0.000 0.929 64 Y N 0.222 120.372 120.300 -0.250 0.000 2.425 64 Y HA 0.351 4.902 4.550 0.001 0.000 0.347 64 Y C 1.819 177.775 175.900 0.094 0.000 0.976 64 Y CA -1.158 56.946 58.100 0.007 0.000 1.190 64 Y CB 1.047 39.600 38.460 0.155 0.000 1.136 64 Y HN -0.062 nan 8.280 nan 0.000 0.517 65 A N 2.665 125.590 122.820 0.174 0.000 2.066 65 A HA -0.147 4.173 4.320 0.001 0.000 0.218 65 A C 1.642 179.347 177.584 0.201 0.000 1.157 65 A CA 0.977 53.121 52.037 0.179 0.000 0.670 65 A CB -0.235 18.812 19.000 0.078 0.000 0.804 65 A HN 0.834 nan 8.150 nan 0.000 0.453 66 E N -1.198 118.999 120.200 -0.005 0.000 2.268 66 E HA -0.178 4.173 4.350 0.001 0.000 0.195 66 E C 0.908 177.529 176.600 0.034 0.000 0.995 66 E CA 0.821 56.894 56.400 -0.544 0.000 0.836 66 E CB -0.401 28.642 29.700 -1.095 0.000 0.763 66 E HN 0.834 nan 8.360 nan 0.000 0.491 67 W N 0.055 121.499 121.300 0.240 0.000 3.292 67 W HA 0.143 4.803 4.660 0.000 0.000 0.263 67 W C 1.242 177.944 176.519 0.304 0.000 1.318 67 W CA -0.434 57.179 57.345 0.447 0.000 1.663 67 W CB -0.631 29.080 29.460 0.418 0.000 1.114 67 W HN 0.109 nan 8.180 nan 0.000 0.706 68 Y N 1.607 122.113 120.300 0.344 0.000 2.062 68 Y HA -0.431 4.120 4.550 0.001 0.000 0.273 68 Y C 2.518 178.495 175.900 0.128 0.000 1.206 68 Y CA 2.707 60.981 58.100 0.291 0.000 1.125 68 Y CB -0.441 38.253 38.460 0.391 0.000 0.951 68 Y HN 0.120 nan 8.280 nan 0.000 0.501 69 E N -0.413 119.838 120.200 0.085 0.000 2.077 69 E HA -0.299 4.051 4.350 0.001 0.000 0.193 69 E C 2.076 178.435 176.600 -0.402 0.000 0.989 69 E CA 1.438 57.624 56.400 -0.356 0.000 0.800 69 E CB -0.381 28.815 29.700 -0.840 0.000 0.746 69 E HN 0.563 nan 8.360 nan 0.000 0.452 70 N N -0.177 118.155 118.700 -0.613 0.000 2.069 70 N HA -0.145 4.596 4.740 0.001 0.000 0.191 70 N C 1.756 177.102 175.510 -0.274 0.000 1.031 70 N CA 2.029 54.670 53.050 -0.682 0.000 0.852 70 N CB -0.122 37.993 38.487 -0.620 0.000 1.018 70 N HN 0.006 nan 8.380 nan 0.000 0.423 71 S N -0.018 115.625 115.700 -0.094 0.000 2.382 71 S HA -0.107 4.364 4.470 0.001 0.000 0.228 71 S C 1.718 176.261 174.600 -0.094 0.000 1.027 71 S CA 0.744 58.905 58.200 -0.066 0.000 0.991 71 S CB -0.439 62.762 63.200 0.001 0.000 0.823 71 S HN 0.346 nan 8.310 nan 0.000 0.469 72 L N 2.104 123.228 121.223 -0.165 0.000 2.131 72 L HA 0.019 4.359 4.340 0.001 0.000 0.210 72 L C 2.047 178.923 176.870 0.009 0.000 1.092 72 L CA 1.635 56.419 54.840 -0.093 0.000 0.759 72 L CB -0.469 41.498 42.059 -0.154 0.000 0.903 72 L HN 0.117 nan 8.230 nan 0.000 0.435 73 R N -0.722 119.713 120.500 -0.108 0.000 2.235 73 R HA 0.098 4.438 4.340 0.001 0.000 0.213 73 R C 0.321 176.541 176.300 -0.133 0.000 1.059 73 R CA 0.329 56.356 56.100 -0.121 0.000 0.997 73 R CB -0.231 29.937 30.300 -0.219 0.000 0.884 73 R HN 0.320 nan 8.270 nan 0.000 0.462 74 I N 1.811 122.302 120.570 -0.131 0.000 2.291 74 I HA 0.029 4.199 4.170 0.001 0.000 0.292 74 I C 0.962 176.996 176.117 -0.137 0.000 1.064 74 I CA -0.009 61.212 61.300 -0.131 0.000 1.269 74 I CB 1.265 39.181 38.000 -0.139 0.000 1.418 74 I HN -0.043 nan 8.210 nan 0.000 0.485 75 K N 4.115 124.325 120.400 -0.316 0.000 2.280 75 K HA -0.162 4.158 4.320 0.001 0.000 0.202 75 K C 1.271 177.585 176.600 -0.477 0.000 1.047 75 K CA 1.311 57.141 56.287 -0.762 0.000 0.942 75 K CB 0.061 32.038 32.500 -0.871 0.000 0.739 75 K HN 0.612 nan 8.250 nan 0.000 0.457 76 E N 0.912 121.010 120.200 -0.170 0.000 2.274 76 E HA -0.080 4.270 4.350 0.001 0.000 0.194 76 E C 0.762 177.418 176.600 0.094 0.000 0.996 76 E CA 0.445 56.830 56.400 -0.025 0.000 0.840 76 E CB 0.064 29.798 29.700 0.057 0.000 0.772 76 E HN 0.181 nan 8.360 nan 0.000 0.491 77 S N 0.903 116.683 115.700 0.134 0.000 2.593 77 S HA 0.093 4.563 4.470 0.001 0.000 0.269 77 S C -1.892 172.853 174.600 0.243 0.000 1.334 77 S CA -1.303 57.009 58.200 0.186 0.000 1.015 77 S CB 1.145 64.431 63.200 0.143 0.000 0.912 77 S HN -0.252 nan 8.310 nan 0.000 0.541 78 P HA -0.021 nan 4.420 nan 0.000 0.220 78 P C 1.308 178.786 177.300 0.297 0.000 1.148 78 P CA 1.152 64.434 63.100 0.303 0.000 0.803 78 P CB -0.285 31.630 31.700 0.358 0.000 0.782 79 T N -2.029 112.706 114.554 0.302 0.000 2.788 79 T HA -0.184 4.166 4.350 0.001 0.000 0.268 79 T C 1.405 176.150 174.700 0.075 0.000 1.044 79 T CA 1.056 63.239 62.100 0.139 0.000 1.139 79 T CB -0.907 67.982 68.868 0.035 0.000 0.867 79 T HN 0.217 nan 8.240 nan 0.000 0.454 80 W N 2.011 123.308 121.300 -0.005 0.000 2.379 80 W HA -0.037 4.624 4.660 0.001 0.000 0.307 80 W C 2.235 178.793 176.519 0.065 0.000 1.200 80 W CA 0.992 58.355 57.345 0.029 0.000 1.297 80 W CB -0.187 29.284 29.460 0.018 0.000 1.140 80 W HN 0.236 nan 8.180 nan 0.000 0.507 81 E N -0.968 119.357 120.200 0.208 0.000 2.049 81 E HA -0.352 3.998 4.350 0.001 0.000 0.198 81 E C 2.004 178.507 176.600 -0.162 0.000 1.007 81 E CA 1.973 58.376 56.400 0.004 0.000 0.809 81 E CB -0.811 28.971 29.700 0.136 0.000 0.749 81 E HN 0.452 nan 8.360 nan 0.000 0.450 82 Y N 0.179 120.299 120.300 -0.301 0.000 2.224 82 Y HA -0.264 4.287 4.550 0.001 0.000 0.289 82 Y C 2.301 178.016 175.900 -0.308 0.000 1.146 82 Y CA 2.260 60.067 58.100 -0.488 0.000 1.182 82 Y CB -0.261 37.482 38.460 -1.195 0.000 0.983 82 Y HN 0.169 nan 8.280 nan 0.000 0.524 83 H N -0.907 118.071 119.070 -0.152 0.000 2.326 83 H HA -0.128 4.429 4.556 0.001 0.000 0.301 83 H C 2.191 177.404 175.328 -0.192 0.000 1.081 83 H CA 2.370 58.432 56.048 0.025 0.000 1.334 83 H CB -0.478 29.367 29.762 0.140 0.000 1.385 83 H HN 0.200 nan 8.280 nan 0.000 0.504 84 V N 1.116 120.814 119.914 -0.360 0.000 2.295 84 V HA -0.254 3.867 4.120 0.001 0.000 0.246 84 V C 2.538 178.393 176.094 -0.397 0.000 1.049 84 V CA 2.244 64.278 62.300 -0.443 0.000 1.024 84 V CB -0.528 30.863 31.823 -0.721 0.000 0.648 84 V HN 0.459 nan 8.190 nan 0.000 0.447 85 K N -0.434 119.715 120.400 -0.420 0.000 2.097 85 K HA -0.170 4.150 4.320 0.001 0.000 0.206 85 K C 1.972 178.271 176.600 -0.500 0.000 1.049 85 K CA 2.002 58.054 56.287 -0.392 0.000 0.933 85 K CB -0.105 32.182 32.500 -0.354 0.000 0.717 85 K HN 0.541 nan 8.250 nan 0.000 0.442 86 T N -0.873 113.246 114.554 -0.725 0.000 3.010 86 T HA 0.027 4.377 4.350 0.001 0.000 0.252 86 T C 0.846 174.919 174.700 -1.046 0.000 1.047 86 T CA 0.718 62.230 62.100 -0.979 0.000 1.140 86 T CB -0.038 67.951 68.868 -1.465 0.000 0.885 86 T HN 0.234 nan 8.240 nan 0.000 0.464 87 Y N 0.682 120.613 120.300 -0.613 0.000 2.423 87 Y HA 0.498 5.049 4.550 0.001 0.000 0.257 87 Y C 1.309 176.954 175.900 -0.425 0.000 1.087 87 Y CA -0.216 57.476 58.100 -0.680 0.000 1.258 87 Y CB 0.635 38.357 38.460 -1.231 0.000 1.237 87 Y HN 0.324 nan 8.280 nan 0.000 0.517 88 G N 1.022 109.674 108.800 -0.247 0.000 2.690 88 G HA2 -0.199 3.761 3.960 0.001 0.000 0.686 88 G HA3 -0.199 3.761 3.960 0.001 0.000 0.686 88 G C -0.020 174.865 174.900 -0.025 0.000 1.277 88 G CA -0.305 44.726 45.100 -0.115 0.000 0.799 88 G HN 0.217 nan 8.290 nan 0.000 0.613 89 E N 0.394 120.586 120.200 -0.013 0.000 2.274 89 E HA -0.028 4.322 4.350 0.001 0.000 0.194 89 E C 1.895 178.580 176.600 0.142 0.000 0.996 89 E CA 1.436 57.875 56.400 0.065 0.000 0.840 89 E CB -0.069 29.671 29.700 0.067 0.000 0.772 89 E HN 0.607 nan 8.360 nan 0.000 0.491 90 N N -0.234 118.533 118.700 0.111 0.000 2.449 90 N HA 0.043 4.783 4.740 0.001 0.000 0.191 90 N C -0.709 174.870 175.510 0.115 0.000 1.161 90 N CA -0.144 52.962 53.050 0.095 0.000 0.863 90 N CB 0.094 38.614 38.487 0.055 0.000 0.980 90 N HN 0.056 nan 8.380 nan 0.000 0.458 91 F N 3.242 123.218 119.950 0.044 0.000 2.335 91 F HA 0.104 4.632 4.527 0.001 0.000 0.365 91 F C 0.490 176.358 175.800 0.113 0.000 1.122 91 F CA -1.173 56.839 58.000 0.020 0.000 1.151 91 F CB 0.339 39.299 39.000 -0.065 0.000 1.282 91 F HN 0.024 nan 8.300 nan 0.000 0.513 92 E N 5.081 125.188 120.200 -0.154 0.000 2.354 92 E HA -0.085 4.265 4.350 0.001 0.000 0.269 92 E C 0.463 177.005 176.600 -0.098 0.000 1.036 92 E CA -0.431 55.932 56.400 -0.061 0.000 0.876 92 E CB 0.722 30.360 29.700 -0.103 0.000 1.009 92 E HN 0.815 nan 8.360 nan 0.000 0.416 93 Y N 2.682 122.982 120.300 0.001 0.000 2.139 93 Y HA -0.310 4.240 4.550 0.001 0.000 0.282 93 Y C 2.183 178.154 175.900 0.118 0.000 1.179 93 Y CA 2.648 60.839 58.100 0.152 0.000 1.161 93 Y CB 0.068 38.694 38.460 0.277 0.000 0.970 93 Y HN 0.790 nan 8.280 nan 0.000 0.511 94 E N 0.551 120.794 120.200 0.071 0.000 2.187 94 E HA -0.322 4.028 4.350 0.001 0.000 0.199 94 E C 2.052 178.605 176.600 -0.079 0.000 1.004 94 E CA 1.651 58.073 56.400 0.037 0.000 0.813 94 E CB -0.263 29.383 29.700 -0.090 0.000 0.736 94 E HN 0.525 nan 8.360 nan 0.000 0.468 95 K N -0.556 119.623 120.400 -0.369 0.000 2.365 95 K HA -0.092 4.228 4.320 0.001 0.000 0.199 95 K C 1.637 178.070 176.600 -0.278 0.000 1.045 95 K CA 0.381 56.377 56.287 -0.486 0.000 0.962 95 K CB -0.078 31.771 32.500 -1.085 0.000 0.759 95 K HN 0.073 nan 8.250 nan 0.000 0.469 96 F N 0.846 120.712 119.950 -0.139 0.000 2.307 96 F HA -0.134 4.394 4.527 0.001 0.000 0.301 96 F C 2.243 177.898 175.800 -0.242 0.000 1.076 96 F CA 0.883 58.783 58.000 -0.167 0.000 1.383 96 F CB -0.670 38.081 39.000 -0.415 0.000 1.055 96 F HN 0.069 nan 8.300 nan 0.000 0.526 97 A N -0.450 122.292 122.820 -0.130 0.000 2.076 97 A HA -0.178 4.142 4.320 0.001 0.000 0.220 97 A C 1.912 179.480 177.584 -0.026 0.000 1.160 97 A CA 1.982 53.878 52.037 -0.235 0.000 0.653 97 A CB -0.543 18.373 19.000 -0.141 0.000 0.801 97 A HN 0.265 nan 8.150 nan 0.000 0.455 98 D N -1.029 119.380 120.400 0.016 0.000 2.327 98 D HA 0.065 4.706 4.640 0.001 0.000 0.205 98 D C 1.220 177.560 176.300 0.068 0.000 0.989 98 D CA 0.461 54.482 54.000 0.036 0.000 0.873 98 D CB 0.163 40.972 40.800 0.015 0.000 0.955 98 D HN 0.312 nan 8.370 nan 0.000 0.515 99 L N -0.087 121.210 121.223 0.124 0.000 2.509 99 L HA 0.100 4.441 4.340 0.001 0.000 0.222 99 L C 0.549 177.508 176.870 0.149 0.000 1.123 99 L CA 0.227 55.163 54.840 0.160 0.000 0.856 99 L CB -0.314 41.900 42.059 0.258 0.000 0.985 99 L HN -0.082 nan 8.230 nan 0.000 0.456 100 F N 0.883 120.782 119.950 -0.085 0.000 2.619 100 F HA 0.182 4.709 4.527 0.001 0.000 0.350 100 F C 1.500 177.220 175.800 -0.134 0.000 1.259 100 F CA -0.413 57.481 58.000 -0.176 0.000 1.204 100 F CB -0.234 38.537 39.000 -0.382 0.000 1.556 100 F HN 0.094 nan 8.300 nan 0.000 0.650 101 T N 1.457 115.864 114.554 -0.245 0.000 3.037 101 T HA 0.299 4.650 4.350 0.001 0.000 0.252 101 T C 1.363 175.888 174.700 -0.292 0.000 1.073 101 T CA 0.340 62.299 62.100 -0.234 0.000 1.091 101 T CB -0.272 68.555 68.868 -0.067 0.000 0.935 101 T HN 1.101 nan 8.240 nan 0.000 0.488 102 A N 2.501 125.134 122.820 -0.311 0.000 2.704 102 A HA -0.259 4.061 4.320 0.001 0.000 0.299 102 A C 1.518 179.140 177.584 0.063 0.000 1.507 102 A CA 1.302 53.288 52.037 -0.085 0.000 0.776 102 A CB -2.312 16.534 19.000 -0.257 0.000 1.027 102 A HN 0.891 nan 8.150 nan 0.000 0.475 103 E N 0.108 120.337 120.200 0.049 0.000 2.110 103 E HA -0.205 4.145 4.350 0.001 0.000 0.193 103 E C 1.180 177.832 176.600 0.087 0.000 0.988 103 E CA 1.528 57.962 56.400 0.057 0.000 0.804 103 E CB -0.233 29.493 29.700 0.043 0.000 0.745 103 E HN 0.818 nan 8.360 nan 0.000 0.458 104 K N -0.011 120.461 120.400 0.120 0.000 2.498 104 K HA 0.099 4.419 4.320 0.001 0.000 0.207 104 K C -0.587 176.102 176.600 0.147 0.000 1.033 104 K CA -0.543 55.808 56.287 0.107 0.000 1.138 104 K CB 0.000 32.556 32.500 0.092 0.000 0.860 104 K HN 0.082 nan 8.250 nan 0.000 0.490 105 W N 3.001 124.271 121.300 -0.050 0.000 2.304 105 W HA 0.063 4.724 4.660 0.001 0.000 0.313 105 W C -0.471 175.917 176.519 -0.218 0.000 1.323 105 W CA -0.203 57.038 57.345 -0.173 0.000 1.223 105 W CB 0.491 29.862 29.460 -0.149 0.000 1.237 105 W HN 0.014 nan 8.180 nan 0.000 0.535 106 D N 8.578 128.573 120.400 -0.675 0.000 2.469 106 D HA 0.268 4.909 4.640 0.001 0.000 0.251 106 D C -1.443 174.136 176.300 -1.203 0.000 1.173 106 D CA -2.316 51.225 54.000 -0.765 0.000 0.882 106 D CB 2.218 42.797 40.800 -0.369 0.000 1.129 106 D HN 0.125 nan 8.370 nan 0.000 0.549 107 P HA -0.150 nan 4.420 nan 0.000 0.218 107 P C 1.181 178.157 177.300 -0.541 0.000 1.149 107 P CA 0.813 63.145 63.100 -1.280 0.000 0.817 107 P CB 0.640 31.650 31.700 -1.150 0.000 0.785 108 Q N 0.272 119.820 119.800 -0.419 0.000 2.172 108 Q HA -0.110 4.231 4.340 0.001 0.000 0.200 108 Q C 2.154 178.050 176.000 -0.172 0.000 0.964 108 Q CA 1.197 56.864 55.803 -0.226 0.000 0.855 108 Q CB -0.368 28.259 28.738 -0.185 0.000 0.918 108 Q HN 0.471 nan 8.270 nan 0.000 0.444 109 E N -0.801 119.281 120.200 -0.196 0.000 2.110 109 E HA -0.191 4.159 4.350 0.001 0.000 0.193 109 E C 1.678 178.236 176.600 -0.069 0.000 0.988 109 E CA 0.794 57.130 56.400 -0.107 0.000 0.804 109 E CB -0.047 29.610 29.700 -0.072 0.000 0.745 109 E HN 0.364 nan 8.360 nan 0.000 0.458 110 W N 0.704 121.757 121.300 -0.411 0.000 2.378 110 W HA -0.048 4.612 4.660 0.001 0.000 0.313 110 W C 2.577 178.588 176.519 -0.847 0.000 1.197 110 W CA 0.933 57.869 57.345 -0.682 0.000 1.304 110 W CB -1.207 28.015 29.460 -0.396 0.000 1.148 110 W HN 0.065 nan 8.180 nan 0.000 0.494 111 A N 0.408 123.178 122.820 -0.083 0.000 1.892 111 A HA -0.256 4.064 4.320 0.001 0.000 0.218 111 A C 1.767 179.332 177.584 -0.032 0.000 1.188 111 A CA 2.449 54.515 52.037 0.047 0.000 0.631 111 A CB -0.992 18.048 19.000 0.066 0.000 0.822 111 A HN 0.220 nan 8.150 nan 0.000 0.447 112 D N -0.364 119.984 120.400 -0.086 0.000 2.117 112 D HA -0.118 4.522 4.640 0.001 0.000 0.197 112 D C 1.885 178.132 176.300 -0.089 0.000 0.987 112 D CA 0.815 54.776 54.000 -0.066 0.000 0.829 112 D CB -0.388 40.371 40.800 -0.067 0.000 0.961 112 D HN 0.405 nan 8.370 nan 0.000 0.460 113 L N -0.179 120.917 121.223 -0.212 0.000 2.017 113 L HA -0.196 4.145 4.340 0.001 0.000 0.208 113 L C 1.985 178.799 176.870 -0.092 0.000 1.073 113 L CA 1.284 55.990 54.840 -0.223 0.000 0.745 113 L CB -0.185 41.630 42.059 -0.407 0.000 0.894 113 L HN -0.032 nan 8.230 nan 0.000 0.432 114 F N 0.159 120.117 119.950 0.012 0.000 2.234 114 F HA -0.166 4.361 4.527 0.001 0.000 0.299 114 F C 2.564 178.363 175.800 -0.002 0.000 1.087 114 F CA 0.914 58.904 58.000 -0.016 0.000 1.340 114 F CB -0.918 38.066 39.000 -0.025 0.000 1.031 114 F HN 0.051 nan 8.300 nan 0.000 0.500 115 K N 1.031 121.528 120.400 0.162 0.000 2.002 115 K HA -0.168 4.152 4.320 0.001 0.000 0.209 115 K C 1.995 178.657 176.600 0.104 0.000 1.048 115 K CA 1.384 57.734 56.287 0.105 0.000 0.930 115 K CB -0.079 32.458 32.500 0.061 0.000 0.714 115 K HN 0.174 nan 8.250 nan 0.000 0.438 116 K N -0.061 120.389 120.400 0.083 0.000 2.211 116 K HA -0.080 4.240 4.320 0.001 0.000 0.203 116 K C 1.938 178.622 176.600 0.140 0.000 1.050 116 K CA 0.997 57.335 56.287 0.086 0.000 0.945 116 K CB -0.045 32.483 32.500 0.048 0.000 0.732 116 K HN 0.167 nan 8.250 nan 0.000 0.451 117 A N 0.729 123.659 122.820 0.182 0.000 2.172 117 A HA 0.054 4.374 4.320 0.001 0.000 0.216 117 A C 1.567 179.401 177.584 0.417 0.000 1.154 117 A CA 1.246 53.447 52.037 0.274 0.000 0.701 117 A CB -0.481 18.707 19.000 0.313 0.000 0.789 117 A HN 0.462 nan 8.150 nan 0.000 0.465 118 G N -2.460 106.550 108.800 0.351 0.000 2.157 118 G HA2 0.107 4.067 3.960 0.001 0.000 0.239 118 G HA3 0.107 4.067 3.960 0.001 0.000 0.239 118 G C 0.398 175.583 174.900 0.476 0.000 0.982 118 G CA 0.279 45.660 45.100 0.469 0.000 0.650 118 G HN 1.594 nan 8.290 nan 0.000 0.527 119 A N -0.180 122.711 122.820 0.117 0.000 2.425 119 A HA 0.682 5.002 4.320 0.001 0.000 0.249 119 A C 1.259 178.781 177.584 -0.102 0.000 1.084 119 A CA 0.666 52.466 52.037 -0.394 0.000 0.781 119 A CB 0.478 19.110 19.000 -0.613 0.000 1.019 119 A HN 0.150 nan 8.150 nan 0.000 0.490 120 K N 0.195 120.543 120.400 -0.088 0.000 2.367 120 K HA 0.160 4.480 4.320 0.001 0.000 0.195 120 K C -0.715 176.031 176.600 0.244 0.000 1.060 120 K CA 0.698 57.057 56.287 0.120 0.000 1.022 120 K CB 0.318 32.973 32.500 0.259 0.000 0.894 120 K HN 0.821 nan 8.250 nan 0.000 0.540 121 Y N -2.654 117.656 120.300 0.016 0.000 2.597 121 Y HA 0.669 5.220 4.550 0.001 0.000 0.340 121 Y C -0.763 175.113 175.900 -0.039 0.000 1.097 121 Y CA -1.625 56.509 58.100 0.057 0.000 1.037 121 Y CB 1.128 39.733 38.460 0.242 0.000 1.305 121 Y HN -0.333 nan 8.280 nan 0.000 0.463 122 V N 3.434 123.432 119.914 0.140 0.000 2.709 122 V HA 0.540 4.660 4.120 0.001 0.000 0.308 122 V C -0.684 175.406 176.094 -0.007 0.000 1.062 122 V CA -0.860 61.425 62.300 -0.024 0.000 0.901 122 V CB 1.941 33.812 31.823 0.080 0.000 1.003 122 V HN 0.755 nan 8.190 nan 0.000 0.425 123 I N 6.383 126.917 120.570 -0.060 0.000 2.517 123 I HA 0.383 4.553 4.170 0.001 0.000 0.280 123 I C -2.730 173.448 176.117 0.101 0.000 1.061 123 I CA -1.562 59.700 61.300 -0.064 0.000 1.091 123 I CB 2.599 40.521 38.000 -0.130 0.000 1.205 123 I HN 0.423 nan 8.210 nan 0.000 0.459 124 P HA 0.209 nan 4.420 nan 0.000 0.287 124 P C -0.256 177.187 177.300 0.238 0.000 1.270 124 P CA -0.405 62.843 63.100 0.248 0.000 0.844 124 P CB 1.130 33.071 31.700 0.402 0.000 1.068 125 T N -1.765 112.875 114.554 0.144 0.000 2.754 125 T HA 0.097 4.448 4.350 0.001 0.000 0.282 125 T C 1.399 176.290 174.700 0.319 0.000 0.923 125 T CA 0.081 62.289 62.100 0.180 0.000 1.164 125 T CB -0.999 67.811 68.868 -0.096 0.000 0.873 125 T HN 0.531 nan 8.240 nan 0.000 0.537 126 T N 0.062 114.850 114.554 0.390 0.000 2.942 126 T HA 0.075 4.426 4.350 0.001 0.000 0.265 126 T C 0.586 175.615 174.700 0.548 0.000 1.062 126 T CA 0.372 62.736 62.100 0.440 0.000 1.139 126 T CB -0.020 69.027 68.868 0.297 0.000 0.883 126 T HN 0.679 nan 8.240 nan 0.000 0.468 127 K N 0.308 120.963 120.400 0.425 0.000 2.589 127 K HA 0.198 4.518 4.320 0.001 0.000 0.253 127 K C -1.391 175.307 176.600 0.164 0.000 0.974 127 K CA -0.669 55.772 56.287 0.257 0.000 0.835 127 K CB 1.590 34.191 32.500 0.168 0.000 1.272 127 K HN 0.342 nan 8.250 nan 0.000 0.444 128 H N 1.793 120.916 119.070 0.088 0.000 2.885 128 H HA 0.220 4.777 4.556 0.001 0.000 0.263 128 H C 0.719 175.926 175.328 -0.202 0.000 1.564 128 H CA -0.030 55.980 56.048 -0.064 0.000 1.632 128 H CB 0.948 30.619 29.762 -0.152 0.000 1.650 128 H HN 0.675 nan 8.280 nan 0.000 0.928 129 H N 0.123 118.734 119.070 -0.765 0.000 2.421 129 H HA -0.122 4.434 4.556 0.001 0.000 0.298 129 H C 1.469 176.153 175.328 -1.073 0.000 1.087 129 H CA 1.394 56.693 56.048 -1.249 0.000 1.330 129 H CB -0.440 28.008 29.762 -2.191 0.000 1.388 129 H HN 0.588 nan 8.280 nan 0.000 0.526 130 D N -0.378 119.828 120.400 -0.323 0.000 2.378 130 D HA -0.009 4.631 4.640 0.001 0.000 0.222 130 D C 1.699 178.243 176.300 0.406 0.000 0.980 130 D CA 0.932 55.071 54.000 0.233 0.000 0.907 130 D CB -0.525 40.623 40.800 0.580 0.000 0.899 130 D HN 0.429 nan 8.370 nan 0.000 0.527 131 G N -0.388 108.582 108.800 0.282 0.000 2.179 131 G HA2 -0.305 3.656 3.960 0.001 0.000 0.260 131 G HA3 -0.305 3.656 3.960 0.001 0.000 0.260 131 G C -0.045 175.148 174.900 0.487 0.000 0.977 131 G CA 0.106 45.442 45.100 0.394 0.000 0.641 131 G HN 0.459 nan 8.290 nan 0.000 0.533 132 F N 2.126 122.217 119.950 0.235 0.000 2.438 132 F HA 0.557 5.084 4.527 0.001 0.000 0.356 132 F C 0.819 176.577 175.800 -0.068 0.000 1.099 132 F CA -0.761 57.127 58.000 -0.187 0.000 1.185 132 F CB 0.502 39.199 39.000 -0.505 0.000 1.115 132 F HN 0.178 nan 8.300 nan 0.000 0.526 133 C N 7.629 126.504 119.300 -0.708 0.000 2.307 133 C HA 0.321 4.781 4.460 0.001 0.000 0.340 133 C C 1.076 175.726 174.990 -0.568 0.000 1.275 133 C CA -1.008 57.738 59.018 -0.452 0.000 1.811 133 C CB 0.296 27.611 27.740 -0.708 0.000 2.372 133 C HN 0.765 nan 8.230 nan 0.000 0.531 134 L N 2.437 123.663 121.223 0.005 0.000 2.779 134 L HA 0.228 4.569 4.340 0.001 0.000 0.239 134 L C -0.112 176.926 176.870 0.279 0.000 1.245 134 L CA 0.170 55.053 54.840 0.071 0.000 1.064 134 L CB -0.990 41.161 42.059 0.153 0.000 1.350 134 L HN 0.877 nan 8.230 nan 0.000 0.455 135 W N -2.292 118.987 121.300 -0.036 0.000 3.075 135 W HA 0.632 5.292 4.660 0.001 0.000 0.334 135 W C 0.238 176.772 176.519 0.025 0.000 1.243 135 W CA -1.325 56.058 57.345 0.063 0.000 1.170 135 W CB 0.798 30.394 29.460 0.228 0.000 1.452 135 W HN -0.088 nan 8.180 nan 0.000 0.572 136 G N 2.034 110.877 108.800 0.072 0.000 3.003 136 G HA2 0.282 4.242 3.960 0.001 0.000 0.266 136 G HA3 0.282 4.242 3.960 0.001 0.000 0.266 136 G C -0.064 174.700 174.900 -0.227 0.000 0.755 136 G CA 0.122 45.165 45.100 -0.096 0.000 2.061 136 G HN 0.602 nan 8.290 nan 0.000 0.599 137 T N 0.065 114.214 114.554 -0.674 0.000 2.919 137 T HA 0.164 4.514 4.350 0.001 0.000 0.302 137 T C 1.649 176.135 174.700 -0.357 0.000 1.031 137 T CA -0.240 61.515 62.100 -0.576 0.000 1.127 137 T CB 0.529 68.856 68.868 -0.902 0.000 0.952 137 T HN 0.571 nan 8.240 nan 0.000 0.540 138 K N 3.250 123.381 120.400 -0.448 0.000 2.444 138 K HA 0.029 4.350 4.320 0.001 0.000 0.193 138 K C 0.199 176.554 176.600 -0.409 0.000 1.024 138 K CA 0.472 56.492 56.287 -0.445 0.000 1.077 138 K CB 0.083 32.307 32.500 -0.461 0.000 0.833 138 K HN 0.636 nan 8.250 nan 0.000 0.517 139 Y N 1.061 121.397 120.300 0.060 0.000 2.449 139 Y HA 0.198 4.749 4.550 0.001 0.000 0.254 139 Y C 0.682 176.765 175.900 0.304 0.000 1.140 139 Y CA -0.211 58.003 58.100 0.189 0.000 1.272 139 Y CB 0.892 39.464 38.460 0.187 0.000 1.114 139 Y HN 0.039 nan 8.280 nan 0.000 0.525 140 T N -1.158 113.550 114.554 0.256 0.000 2.932 140 T HA 0.228 4.578 4.350 0.001 0.000 0.318 140 T C -0.301 174.438 174.700 0.066 0.000 1.265 140 T CA -0.601 61.621 62.100 0.204 0.000 1.036 140 T CB 1.255 70.314 68.868 0.319 0.000 1.209 140 T HN -0.096 nan 8.240 nan 0.000 0.484 141 D N 1.717 122.168 120.400 0.085 0.000 2.355 141 D HA 0.094 4.734 4.640 0.001 0.000 0.218 141 D C 0.385 176.766 176.300 0.136 0.000 1.004 141 D CA 0.366 54.405 54.000 0.066 0.000 0.880 141 D CB 0.017 40.858 40.800 0.069 0.000 0.911 141 D HN 0.407 nan 8.370 nan 0.000 0.528 142 F N 2.868 122.812 119.950 -0.010 0.000 2.659 142 F HA 0.162 4.689 4.527 0.001 0.000 0.360 142 F C 0.079 175.750 175.800 -0.215 0.000 1.218 142 F CA -0.862 57.169 58.000 0.051 0.000 1.317 142 F CB -1.013 38.067 39.000 0.134 0.000 1.697 142 F HN -0.144 nan 8.300 nan 0.000 0.637 143 N N -1.799 116.646 118.700 -0.425 0.000 2.647 143 N HA 0.246 4.986 4.740 0.001 0.000 0.266 143 N C 0.270 175.455 175.510 -0.542 0.000 1.373 143 N CA -0.251 52.292 53.050 -0.845 0.000 0.807 143 N CB 0.843 39.006 38.487 -0.541 0.000 1.513 143 N HN -0.103 nan 8.380 nan 0.000 0.505 144 S N -1.105 114.301 115.700 -0.490 0.000 2.515 144 S HA -0.032 4.438 4.470 0.001 0.000 0.231 144 S C 1.180 175.756 174.600 -0.040 0.000 0.987 144 S CA 0.580 58.746 58.200 -0.056 0.000 0.936 144 S CB -0.506 62.671 63.200 -0.039 0.000 0.766 144 S HN 0.363 nan 8.310 nan 0.000 0.528 145 V N 1.571 121.440 119.914 -0.074 0.000 2.599 145 V HA 0.064 4.184 4.120 0.001 0.000 0.245 145 V C 2.495 178.580 176.094 -0.016 0.000 1.046 145 V CA 1.282 63.563 62.300 -0.031 0.000 1.065 145 V CB -0.359 31.447 31.823 -0.029 0.000 0.703 145 V HN 0.455 nan 8.190 nan 0.000 0.464 146 K N -0.522 119.866 120.400 -0.021 0.000 2.211 146 K HA 0.110 4.431 4.320 0.001 0.000 0.201 146 K C 1.237 177.863 176.600 0.043 0.000 1.052 146 K CA 0.328 56.621 56.287 0.010 0.000 0.973 146 K CB 0.184 32.690 32.500 0.010 0.000 0.766 146 K HN 0.292 nan 8.250 nan 0.000 0.466 147 R N -0.183 120.364 120.500 0.079 0.000 2.751 147 R HA 0.222 4.563 4.340 0.001 0.000 0.217 147 R C 1.734 178.078 176.300 0.075 0.000 1.436 147 R CA 0.070 56.240 56.100 0.116 0.000 1.006 147 R CB -1.073 29.363 30.300 0.227 0.000 2.065 147 R HN 0.119 nan 8.270 nan 0.000 0.525 148 G N 2.021 110.858 108.800 0.061 0.000 2.864 148 G HA2 -0.303 3.658 3.960 0.001 0.000 0.250 148 G HA3 -0.303 3.658 3.960 0.001 0.000 0.250 148 G C -1.185 173.660 174.900 -0.091 0.000 1.154 148 G CA 1.436 46.525 45.100 -0.019 0.000 0.755 148 G HN 0.418 nan 8.290 nan 0.000 0.697 149 P HA 0.098 nan 4.420 nan 0.000 0.229 149 P C 0.183 177.426 177.300 -0.094 0.000 1.160 149 P CA 0.755 63.720 63.100 -0.226 0.000 0.777 149 P CB 0.181 31.633 31.700 -0.414 0.000 0.814 150 K N -0.363 120.008 120.400 -0.048 0.000 3.278 150 K HA -0.209 4.111 4.320 0.001 0.000 0.270 150 K C 0.082 176.679 176.600 -0.004 0.000 0.955 150 K CA 0.803 57.081 56.287 -0.015 0.000 0.723 150 K CB -1.785 30.711 32.500 -0.007 0.000 1.382 150 K HN 0.435 nan 8.250 nan 0.000 0.461 151 R N 0.653 121.149 120.500 -0.007 0.000 2.644 151 R HA 0.087 4.428 4.340 0.001 0.000 0.257 151 R C -1.781 174.545 176.300 0.042 0.000 1.082 151 R CA -0.686 55.432 56.100 0.030 0.000 0.927 151 R CB 1.248 31.573 30.300 0.042 0.000 1.258 151 R HN 0.056 nan 8.270 nan 0.000 0.459 152 D N 5.161 125.623 120.400 0.104 0.000 2.435 152 D HA 0.114 4.755 4.640 0.001 0.000 0.230 152 D C 1.048 177.448 176.300 0.167 0.000 1.215 152 D CA -0.069 54.026 54.000 0.158 0.000 0.947 152 D CB 0.584 41.515 40.800 0.219 0.000 1.048 152 D HN 0.544 nan 8.370 nan 0.000 0.512 153 L N 2.717 123.994 121.223 0.089 0.000 2.056 153 L HA -0.137 4.203 4.340 0.001 0.000 0.207 153 L C 2.400 179.390 176.870 0.200 0.000 1.078 153 L CA 0.486 55.342 54.840 0.026 0.000 0.749 153 L CB -0.330 41.585 42.059 -0.240 0.000 0.901 153 L HN 0.271 nan 8.230 nan 0.000 0.433 154 V N 0.481 120.493 119.914 0.163 0.000 2.343 154 V HA -0.208 3.912 4.120 0.001 0.000 0.247 154 V C 2.632 178.584 176.094 -0.237 0.000 1.051 154 V CA 2.087 64.429 62.300 0.070 0.000 1.036 154 V CB -1.291 30.517 31.823 -0.026 0.000 0.654 154 V HN 0.560 nan 8.190 nan 0.000 0.451 155 G N -0.324 108.334 108.800 -0.238 0.000 2.414 155 G HA2 -0.225 3.735 3.960 0.001 0.000 0.215 155 G HA3 -0.225 3.735 3.960 0.001 0.000 0.215 155 G C 1.235 176.095 174.900 -0.066 0.000 1.188 155 G CA 0.945 45.934 45.100 -0.185 0.000 0.783 155 G HN 0.494 nan 8.290 nan 0.000 0.537 156 D N 0.044 120.496 120.400 0.087 0.000 2.218 156 D HA -0.072 4.568 4.640 0.001 0.000 0.204 156 D C 2.326 178.644 176.300 0.031 0.000 0.976 156 D CA 0.411 54.461 54.000 0.082 0.000 0.853 156 D CB -0.105 40.806 40.800 0.185 0.000 0.939 156 D HN 0.235 nan 8.370 nan 0.000 0.481 157 L N 0.728 122.057 121.223 0.176 0.000 2.109 157 L HA 0.047 4.388 4.340 0.001 0.000 0.207 157 L C 2.126 178.902 176.870 -0.156 0.000 1.086 157 L CA 1.228 56.166 54.840 0.164 0.000 0.760 157 L CB -0.636 41.719 42.059 0.493 0.000 0.910 157 L HN -0.056 nan 8.230 nan 0.000 0.437 158 A N -0.459 122.007 122.820 -0.589 0.000 1.908 158 A HA -0.256 4.064 4.320 0.001 0.000 0.218 158 A C 2.328 179.655 177.584 -0.429 0.000 1.181 158 A CA 2.050 53.419 52.037 -1.114 0.000 0.627 158 A CB -0.492 17.770 19.000 -1.229 0.000 0.818 158 A HN 0.475 nan 8.150 nan 0.000 0.445 159 K N -0.342 119.917 120.400 -0.235 0.000 2.057 159 K HA -0.046 4.274 4.320 0.001 0.000 0.207 159 K C 2.295 178.837 176.600 -0.096 0.000 1.049 159 K CA 1.190 57.403 56.287 -0.122 0.000 0.931 159 K CB -0.318 32.134 32.500 -0.079 0.000 0.714 159 K HN 0.450 nan 8.250 nan 0.000 0.440 160 A N 0.757 123.517 122.820 -0.100 0.000 1.898 160 A HA -0.104 4.217 4.320 0.001 0.000 0.216 160 A C 2.359 179.943 177.584 -0.001 0.000 1.181 160 A CA 1.290 53.284 52.037 -0.073 0.000 0.620 160 A CB -0.605 18.325 19.000 -0.117 0.000 0.819 160 A HN 0.071 nan 8.150 nan 0.000 0.442 161 V N -0.177 119.768 119.914 0.052 0.000 2.358 161 V HA -0.236 3.885 4.120 0.001 0.000 0.246 161 V C 2.668 178.815 176.094 0.088 0.000 1.047 161 V CA 2.268 64.657 62.300 0.147 0.000 1.035 161 V CB -0.730 31.273 31.823 0.301 0.000 0.658 161 V HN 0.522 nan 8.190 nan 0.000 0.452 162 R N -0.514 120.004 120.500 0.030 0.000 2.092 162 R HA -0.117 4.224 4.340 0.001 0.000 0.231 162 R C 2.417 178.718 176.300 0.001 0.000 1.119 162 R CA 1.085 57.193 56.100 0.014 0.000 0.970 162 R CB -0.245 30.046 30.300 -0.016 0.000 0.864 162 R HN 0.395 nan 8.270 nan 0.000 0.440 163 E N 0.718 120.911 120.200 -0.012 0.000 2.150 163 E HA -0.096 4.254 4.350 0.001 0.000 0.193 163 E C 1.540 178.136 176.600 -0.007 0.000 0.985 163 E CA 1.171 57.560 56.400 -0.017 0.000 0.814 163 E CB 0.049 29.729 29.700 -0.033 0.000 0.752 163 E HN 0.311 nan 8.360 nan 0.000 0.466 164 A N -0.306 122.518 122.820 0.006 0.000 2.209 164 A HA 0.141 4.462 4.320 0.001 0.000 0.212 164 A C 1.629 179.228 177.584 0.024 0.000 1.158 164 A CA 1.306 53.353 52.037 0.017 0.000 0.742 164 A CB -0.378 18.646 19.000 0.039 0.000 0.790 164 A HN 0.351 nan 8.150 nan 0.000 0.472 165 G N -1.786 107.026 108.800 0.021 0.000 2.141 165 G HA2 -0.180 3.781 3.960 0.001 0.000 0.231 165 G HA3 -0.180 3.781 3.960 0.001 0.000 0.231 165 G C -0.005 174.909 174.900 0.022 0.000 0.984 165 G CA 0.247 45.355 45.100 0.013 0.000 0.660 165 G HN 0.411 nan 8.290 nan 0.000 0.525 166 L N 0.427 121.682 121.223 0.052 0.000 2.344 166 L HA 0.612 4.953 4.340 0.001 0.000 0.272 166 L C 1.014 177.925 176.870 0.068 0.000 1.035 166 L CA -1.253 53.632 54.840 0.075 0.000 0.807 166 L CB 0.948 43.084 42.059 0.127 0.000 1.237 166 L HN 0.012 nan 8.230 nan 0.000 0.442 167 R N 1.268 121.783 120.500 0.025 0.000 2.594 167 R HA 0.255 4.595 4.340 0.001 0.000 0.272 167 R C -0.956 175.459 176.300 0.192 0.000 1.074 167 R CA -0.147 55.919 56.100 -0.057 0.000 1.105 167 R CB 0.705 30.704 30.300 -0.502 0.000 1.008 167 R HN 0.349 nan 8.270 nan 0.000 0.472 168 F N 0.725 120.708 119.950 0.056 0.000 2.460 168 F HA 0.495 5.022 4.527 0.001 0.000 0.341 168 F C -0.076 175.847 175.800 0.205 0.000 1.130 168 F CA -0.446 57.639 58.000 0.142 0.000 0.962 168 F CB 1.478 40.543 39.000 0.109 0.000 1.171 168 F HN 0.564 nan 8.300 nan 0.000 0.436 169 G N 3.544 112.161 108.800 -0.304 0.000 2.552 169 G HA2 0.620 4.581 3.960 0.001 0.000 0.324 169 G HA3 0.620 4.581 3.960 0.001 0.000 0.324 169 G C -1.479 173.140 174.900 -0.468 0.000 1.217 169 G CA -0.667 44.342 45.100 -0.151 0.000 0.989 169 G HN 0.980 nan 8.290 nan 0.000 0.490 170 V N -2.189 117.674 119.914 -0.084 0.000 2.656 170 V HA 0.655 4.775 4.120 0.001 0.000 0.307 170 V C -1.157 175.075 176.094 0.230 0.000 1.051 170 V CA -1.353 60.948 62.300 0.000 0.000 0.893 170 V CB 1.242 33.090 31.823 0.043 0.000 0.999 170 V HN 0.723 nan 8.190 nan 0.000 0.426 171 Y N 5.064 125.466 120.300 0.169 0.000 2.313 171 Y HA 0.698 5.248 4.550 0.001 0.000 0.332 171 Y C -1.151 174.931 175.900 0.304 0.000 1.071 171 Y CA -0.846 57.424 58.100 0.283 0.000 1.169 171 Y CB 1.444 40.046 38.460 0.236 0.000 1.192 171 Y HN 0.844 nan 8.280 nan 0.000 0.487 172 Y N 4.459 124.509 120.300 -0.418 0.000 2.373 172 Y HA 0.339 4.889 4.550 0.001 0.000 0.336 172 Y C -0.607 175.021 175.900 -0.454 0.000 0.979 172 Y CA -0.870 57.100 58.100 -0.216 0.000 1.080 172 Y CB 1.730 40.202 38.460 0.020 0.000 1.190 172 Y HN 0.599 nan 8.280 nan 0.000 0.446 173 S N 4.271 119.545 115.700 -0.709 0.000 3.065 173 S HA 0.213 4.683 4.470 0.001 0.000 0.311 173 S C 1.110 175.523 174.600 -0.312 0.000 1.204 173 S CA 0.437 58.397 58.200 -0.400 0.000 1.040 173 S CB -0.520 62.552 63.200 -0.214 0.000 1.436 173 S HN 1.062 nan 8.310 nan 0.000 0.532 174 G N 3.571 112.384 108.800 0.021 0.000 2.403 174 G HA2 0.001 3.961 3.960 0.001 0.000 0.216 174 G HA3 0.001 3.961 3.960 0.001 0.000 0.216 174 G C 1.286 176.155 174.900 -0.052 0.000 1.154 174 G CA 0.517 45.659 45.100 0.070 0.000 0.784 174 G HN 0.736 nan 8.290 nan 0.000 0.538 175 G N -0.384 108.388 108.800 -0.047 0.000 2.408 175 G HA2 0.237 4.197 3.960 0.001 0.000 0.215 175 G HA3 0.237 4.197 3.960 0.001 0.000 0.215 175 G C 0.273 175.060 174.900 -0.188 0.000 1.156 175 G CA 0.350 45.399 45.100 -0.085 0.000 0.793 175 G HN 0.286 nan 8.290 nan 0.000 0.535 176 L N 0.285 121.349 121.223 -0.265 0.000 2.362 176 L HA 0.627 4.967 4.340 0.001 0.000 0.271 176 L C -1.528 175.098 176.870 -0.406 0.000 1.002 176 L CA -0.969 53.612 54.840 -0.431 0.000 0.818 176 L CB 2.401 43.982 42.059 -0.797 0.000 1.298 176 L HN -0.058 nan 8.230 nan 0.000 0.420 177 D N 2.029 122.186 120.400 -0.405 0.000 2.354 177 D HA 0.113 4.754 4.640 0.001 0.000 0.230 177 D C -0.314 176.010 176.300 0.040 0.000 1.361 177 D CA -0.242 53.652 54.000 -0.177 0.000 0.992 177 D CB 0.727 41.583 40.800 0.093 0.000 1.409 177 D HN 0.360 nan 8.370 nan 0.000 0.573 178 W N 2.814 124.144 121.300 0.051 0.000 3.077 178 W HA 0.083 4.743 4.660 0.000 0.000 0.245 178 W C 1.553 178.087 176.519 0.024 0.000 1.316 178 W CA -0.287 57.056 57.345 -0.004 0.000 1.537 178 W CB -0.264 29.156 29.460 -0.066 0.000 1.131 178 W HN 0.320 nan 8.180 nan 0.000 0.695 179 R N -0.246 120.409 120.500 0.258 0.000 2.280 179 R HA -0.052 4.288 4.340 0.001 0.000 0.207 179 R C 0.782 176.948 176.300 -0.224 0.000 1.043 179 R CA 0.679 56.778 56.100 -0.002 0.000 1.006 179 R CB -0.827 29.432 30.300 -0.069 0.000 0.885 179 R HN 0.211 nan 8.270 nan 0.000 0.467 180 F N -0.477 119.454 119.950 -0.031 0.000 2.706 180 F HA 0.141 4.669 4.527 0.001 0.000 0.313 180 F C 0.812 176.571 175.800 -0.069 0.000 1.096 180 F CA -0.207 57.744 58.000 -0.082 0.000 1.219 180 F CB 0.617 39.508 39.000 -0.180 0.000 1.051 180 F HN -0.195 nan 8.300 nan 0.000 0.568 181 T N -4.157 110.460 114.554 0.105 0.000 2.883 181 T HA 0.433 4.784 4.350 0.001 0.000 0.296 181 T C 0.630 175.328 174.700 -0.004 0.000 1.117 181 T CA 0.066 62.191 62.100 0.041 0.000 1.006 181 T CB 1.995 70.883 68.868 0.035 0.000 1.191 181 T HN -0.006 nan 8.240 nan 0.000 0.508 182 T N -2.389 112.144 114.554 -0.035 0.000 2.999 182 T HA 0.280 4.630 4.350 0.001 0.000 0.247 182 T C 0.411 175.051 174.700 -0.100 0.000 1.012 182 T CA -0.113 61.951 62.100 -0.060 0.000 1.048 182 T CB 0.012 68.854 68.868 -0.043 0.000 1.020 182 T HN 0.569 nan 8.240 nan 0.000 0.478 183 E N 3.352 123.493 120.200 -0.100 0.000 2.366 183 E HA 0.357 4.708 4.350 0.001 0.000 0.266 183 E C -2.325 174.137 176.600 -0.230 0.000 1.051 183 E CA -2.012 54.310 56.400 -0.130 0.000 0.884 183 E CB 1.065 30.718 29.700 -0.079 0.000 1.006 183 E HN 0.349 nan 8.360 nan 0.000 0.417 184 P HA 0.272 nan 4.420 nan 0.000 0.278 184 P C -0.249 176.837 177.300 -0.357 0.000 1.258 184 P CA -0.529 62.349 63.100 -0.370 0.000 0.811 184 P CB 0.937 32.439 31.700 -0.330 0.000 1.063 185 I N 2.747 123.071 120.570 -0.411 0.000 2.337 185 I HA 0.194 4.364 4.170 0.001 0.000 0.291 185 I C 1.710 177.422 176.117 -0.674 0.000 1.046 185 I CA 0.139 61.133 61.300 -0.510 0.000 1.324 185 I CB 0.283 37.987 38.000 -0.493 0.000 1.409 185 I HN 0.422 nan 8.210 nan 0.000 0.494 186 R N 4.208 124.337 120.500 -0.619 0.000 2.221 186 R HA 0.178 4.518 4.340 0.001 0.000 0.195 186 R C -0.506 175.276 176.300 -0.863 0.000 0.956 186 R CA 0.486 56.077 56.100 -0.848 0.000 1.064 186 R CB 0.597 30.514 30.300 -0.637 0.000 1.049 186 R HN 0.440 nan 8.270 nan 0.000 0.534 187 Y N -1.137 119.036 120.300 -0.211 0.000 2.576 187 Y HA 0.291 4.842 4.550 0.001 0.000 0.346 187 Y C -1.879 173.976 175.900 -0.075 0.000 1.018 187 Y CA -2.771 55.361 58.100 0.055 0.000 1.050 187 Y CB 1.377 39.908 38.460 0.118 0.000 1.280 187 Y HN -0.210 nan 8.280 nan 0.000 0.474 188 P HA -0.146 nan 4.420 nan 0.000 0.216 188 P C 0.623 177.970 177.300 0.078 0.000 1.150 188 P CA 1.709 64.941 63.100 0.219 0.000 0.837 188 P CB 0.392 32.227 31.700 0.224 0.000 0.786 189 E N -0.496 119.768 120.200 0.108 0.000 2.160 189 E HA -0.181 4.169 4.350 0.001 0.000 0.195 189 E C 1.674 178.283 176.600 0.014 0.000 0.991 189 E CA 1.106 57.555 56.400 0.081 0.000 0.810 189 E CB -0.879 28.886 29.700 0.108 0.000 0.742 189 E HN 0.282 nan 8.360 nan 0.000 0.466 190 D N 0.316 120.665 120.400 -0.085 0.000 2.190 190 D HA -0.172 4.468 4.640 0.001 0.000 0.200 190 D C 1.778 177.769 176.300 -0.515 0.000 0.992 190 D CA 0.802 54.543 54.000 -0.431 0.000 0.854 190 D CB -0.173 40.404 40.800 -0.372 0.000 0.936 190 D HN 0.228 nan 8.370 nan 0.000 0.462 191 L N 0.923 121.994 121.223 -0.254 0.000 2.265 191 L HA -0.154 4.187 4.340 0.001 0.000 0.215 191 L C 2.356 179.156 176.870 -0.118 0.000 1.117 191 L CA 1.112 55.856 54.840 -0.160 0.000 0.782 191 L CB -0.429 41.604 42.059 -0.043 0.000 0.914 191 L HN 0.067 nan 8.230 nan 0.000 0.441 192 S N -0.666 114.993 115.700 -0.069 0.000 2.522 192 S HA -0.149 4.321 4.470 0.001 0.000 0.227 192 S C 1.446 176.104 174.600 0.096 0.000 0.986 192 S CA 0.817 59.035 58.200 0.031 0.000 0.929 192 S CB -0.194 63.059 63.200 0.088 0.000 0.769 192 S HN 0.694 nan 8.310 nan 0.000 0.529 193 Y N -1.113 119.173 120.300 -0.022 0.000 2.438 193 Y HA 0.545 5.095 4.550 0.001 0.000 0.274 193 Y C 0.400 176.277 175.900 -0.039 0.000 1.085 193 Y CA -1.026 57.056 58.100 -0.030 0.000 1.199 193 Y CB 0.225 38.671 38.460 -0.024 0.000 1.317 193 Y HN 0.118 nan 8.280 nan 0.000 0.545 194 I N 4.744 125.046 120.570 -0.447 0.000 2.227 194 I HA 0.275 4.446 4.170 0.001 0.000 0.297 194 I C -0.388 175.637 176.117 -0.153 0.000 1.173 194 I CA 0.134 61.271 61.300 -0.272 0.000 1.356 194 I CB -0.347 37.424 38.000 -0.382 0.000 1.485 194 I HN 0.189 nan 8.210 nan 0.000 0.604 195 R N 4.312 124.749 120.500 -0.105 0.000 2.817 195 R HA 0.402 4.742 4.340 0.001 0.000 0.268 195 R C -2.073 174.126 176.300 -0.168 0.000 1.027 195 R CA -1.756 54.256 56.100 -0.148 0.000 0.928 195 R CB 0.684 30.898 30.300 -0.142 0.000 1.228 195 R HN -0.079 nan 8.270 nan 0.000 0.469 196 P HA -0.097 nan 4.420 nan 0.000 0.215 196 P C -0.157 177.045 177.300 -0.163 0.000 1.153 196 P CA 1.183 64.081 63.100 -0.336 0.000 0.853 196 P CB 0.280 31.364 31.700 -1.027 0.000 0.788 197 N N -3.531 115.069 118.700 -0.167 0.000 2.946 197 N HA -0.130 4.611 4.740 0.001 0.000 0.228 197 N C 0.012 175.442 175.510 -0.133 0.000 0.873 197 N CA 1.935 54.917 53.050 -0.113 0.000 1.029 197 N CB -2.435 36.012 38.487 -0.068 0.000 1.047 197 N HN 0.353 nan 8.380 nan 0.000 0.612 198 T N -2.377 112.137 114.554 -0.067 0.000 2.909 198 T HA 0.451 4.801 4.350 0.001 0.000 0.289 198 T C 1.281 175.960 174.700 -0.035 0.000 1.005 198 T CA -0.534 61.550 62.100 -0.025 0.000 1.084 198 T CB 0.928 69.860 68.868 0.108 0.000 0.975 198 T HN 0.068 nan 8.240 nan 0.000 0.509 199 Y N 0.477 120.814 120.300 0.061 0.000 2.128 199 Y HA -0.119 4.432 4.550 0.000 0.000 0.284 199 Y C 2.724 178.653 175.900 0.049 0.000 1.154 199 Y CA 1.833 59.960 58.100 0.045 0.000 1.149 199 Y CB -0.539 37.940 38.460 0.031 0.000 0.976 199 Y HN 0.895 nan 8.280 nan 0.000 0.505 200 E N -0.528 119.815 120.200 0.238 0.000 2.113 200 E HA -0.387 3.964 4.350 0.001 0.000 0.210 200 E C 2.074 178.763 176.600 0.149 0.000 1.040 200 E CA 2.118 58.632 56.400 0.190 0.000 0.847 200 E CB -0.556 29.275 29.700 0.218 0.000 0.755 200 E HN 0.594 nan 8.360 nan 0.000 0.459 201 Y N 0.175 120.451 120.300 -0.039 0.000 2.242 201 Y HA -0.140 4.410 4.550 0.001 0.000 0.291 201 Y C 1.978 177.802 175.900 -0.127 0.000 1.137 201 Y CA 1.507 59.457 58.100 -0.250 0.000 1.181 201 Y CB -0.460 37.661 38.460 -0.565 0.000 0.989 201 Y HN 0.165 nan 8.280 nan 0.000 0.527 202 A N 0.018 122.769 122.820 -0.115 0.000 1.902 202 A HA -0.184 4.137 4.320 0.001 0.000 0.217 202 A C 1.944 179.491 177.584 -0.062 0.000 1.181 202 A CA 1.952 53.906 52.037 -0.138 0.000 0.623 202 A CB -0.792 18.216 19.000 0.015 0.000 0.818 202 A HN 0.492 nan 8.150 nan 0.000 0.443 203 D N -1.630 118.771 120.400 0.002 0.000 2.117 203 D HA -0.165 4.475 4.640 0.001 0.000 0.197 203 D C 1.669 177.976 176.300 0.011 0.000 0.987 203 D CA 1.552 55.571 54.000 0.032 0.000 0.829 203 D CB -0.468 40.358 40.800 0.043 0.000 0.961 203 D HN 0.593 nan 8.370 nan 0.000 0.460 204 Y N 1.458 121.645 120.300 -0.188 0.000 2.181 204 Y HA -0.186 4.364 4.550 0.001 0.000 0.288 204 Y C 2.222 177.980 175.900 -0.236 0.000 1.146 204 Y CA 1.750 59.726 58.100 -0.206 0.000 1.164 204 Y CB -0.375 37.985 38.460 -0.166 0.000 0.982 204 Y HN -0.048 nan 8.280 nan 0.000 0.515 205 A N -0.664 121.902 122.820 -0.423 0.000 1.873 205 A HA -0.207 4.113 4.320 0.001 0.000 0.215 205 A C 2.157 179.726 177.584 -0.024 0.000 1.186 205 A CA 1.518 53.326 52.037 -0.382 0.000 0.616 205 A CB -1.598 16.924 19.000 -0.797 0.000 0.823 205 A HN 0.703 nan 8.150 nan 0.000 0.442 206 Y N 0.936 121.265 120.300 0.048 0.000 2.097 206 Y HA -0.260 4.290 4.550 0.001 0.000 0.282 206 Y C 2.229 178.064 175.900 -0.108 0.000 1.152 206 Y CA 2.473 60.628 58.100 0.092 0.000 1.136 206 Y CB -0.324 38.168 38.460 0.053 0.000 0.975 206 Y HN 0.261 nan 8.280 nan 0.000 0.498 207 K N -0.150 120.160 120.400 -0.149 0.000 2.103 207 K HA -0.228 4.092 4.320 0.001 0.000 0.207 207 K C 2.249 178.658 176.600 -0.319 0.000 1.048 207 K CA 1.930 57.981 56.287 -0.393 0.000 0.930 207 K CB -0.207 31.859 32.500 -0.724 0.000 0.716 207 K HN 0.521 nan 8.250 nan 0.000 0.444 208 Q N 0.051 119.681 119.800 -0.283 0.000 2.062 208 Q HA -0.083 4.257 4.340 0.001 0.000 0.196 208 Q C 2.194 178.131 176.000 -0.105 0.000 0.967 208 Q CA 1.111 56.894 55.803 -0.034 0.000 0.832 208 Q CB 0.151 28.839 28.738 -0.084 0.000 0.899 208 Q HN 0.116 nan 8.270 nan 0.000 0.442 209 V N 0.993 120.705 119.914 -0.337 0.000 2.343 209 V HA -0.281 3.839 4.120 0.001 0.000 0.247 209 V C 2.348 178.314 176.094 -0.213 0.000 1.051 209 V CA 1.305 63.426 62.300 -0.298 0.000 1.036 209 V CB -0.455 31.236 31.823 -0.220 0.000 0.654 209 V HN 0.419 nan 8.190 nan 0.000 0.451 210 M N -0.399 119.020 119.600 -0.301 0.000 2.073 210 M HA -0.242 4.239 4.480 0.001 0.000 0.258 210 M C 2.240 178.493 176.300 -0.078 0.000 1.070 210 M CA 1.913 57.049 55.300 -0.273 0.000 1.103 210 M CB -1.148 31.133 32.600 -0.531 0.000 1.321 210 M HN 0.467 nan 8.290 nan 0.000 0.405 211 E N 0.424 120.624 120.200 0.001 0.000 2.097 211 E HA -0.203 4.147 4.350 0.001 0.000 0.196 211 E C 2.136 178.727 176.600 -0.015 0.000 1.000 211 E CA 1.130 57.598 56.400 0.114 0.000 0.804 211 E CB -0.056 29.873 29.700 0.381 0.000 0.740 211 E HN 0.459 nan 8.360 nan 0.000 0.454 212 L N 0.060 121.226 121.223 -0.094 0.000 2.012 212 L HA -0.220 4.121 4.340 0.001 0.000 0.210 212 L C 2.549 179.411 176.870 -0.013 0.000 1.073 212 L CA 0.896 55.646 54.840 -0.150 0.000 0.748 212 L CB -0.503 41.435 42.059 -0.201 0.000 0.891 212 L HN 0.112 nan 8.230 nan 0.000 0.431 213 V N -0.121 119.807 119.914 0.023 0.000 2.261 213 V HA -0.306 3.814 4.120 0.001 0.000 0.246 213 V C 2.146 178.296 176.094 0.095 0.000 1.047 213 V CA 2.063 64.443 62.300 0.133 0.000 1.015 213 V CB -0.529 31.425 31.823 0.218 0.000 0.642 213 V HN 0.437 nan 8.190 nan 0.000 0.446 214 D N -0.253 120.186 120.400 0.064 0.000 2.144 214 D HA -0.116 4.524 4.640 0.001 0.000 0.199 214 D C 1.898 178.140 176.300 -0.097 0.000 0.984 214 D CA 1.038 55.054 54.000 0.027 0.000 0.834 214 D CB -0.137 40.696 40.800 0.054 0.000 0.955 214 D HN 0.230 nan 8.370 nan 0.000 0.465 215 L N -0.866 120.195 121.223 -0.270 0.000 2.162 215 L HA -0.048 4.293 4.340 0.001 0.000 0.205 215 L C 1.245 177.723 176.870 -0.653 0.000 1.086 215 L CA 1.399 55.873 54.840 -0.610 0.000 0.778 215 L CB -0.589 40.789 42.059 -1.135 0.000 0.928 215 L HN 0.112 nan 8.230 nan 0.000 0.446 216 Y N -2.899 117.425 120.300 0.040 0.000 2.499 216 Y HA 0.358 4.909 4.550 0.001 0.000 0.253 216 Y C 0.708 176.669 175.900 0.101 0.000 1.105 216 Y CA -1.657 56.482 58.100 0.066 0.000 1.240 216 Y CB 0.070 38.604 38.460 0.124 0.000 1.289 216 Y HN -0.208 nan 8.280 nan 0.000 0.534 217 L N 2.435 123.770 121.223 0.187 0.000 4.035 217 L HA -0.203 4.138 4.340 0.001 0.000 0.490 217 L C -2.734 174.289 176.870 0.255 0.000 1.163 217 L CA -0.553 54.389 54.840 0.171 0.000 0.680 217 L CB -1.278 40.773 42.059 -0.012 0.000 1.409 217 L HN -0.025 nan 8.230 nan 0.000 0.786 218 P HA 0.095 nan 4.420 nan 0.000 0.269 218 P C 0.533 178.161 177.300 0.548 0.000 1.215 218 P CA -0.005 63.356 63.100 0.435 0.000 0.780 218 P CB 0.483 32.374 31.700 0.318 0.000 0.898 219 D N -0.235 120.445 120.400 0.467 0.000 2.323 219 D HA 0.026 4.667 4.640 0.001 0.000 0.209 219 D C 0.211 176.906 176.300 0.659 0.000 0.973 219 D CA 1.052 55.398 54.000 0.576 0.000 0.874 219 D CB 0.282 41.224 40.800 0.237 0.000 0.930 219 D HN 0.095 nan 8.370 nan 0.000 0.521 220 V N 1.625 121.846 119.914 0.512 0.000 2.686 220 V HA 0.228 4.348 4.120 0.001 0.000 0.306 220 V C -0.755 175.533 176.094 0.322 0.000 1.065 220 V CA -0.884 61.690 62.300 0.457 0.000 0.894 220 V CB 2.735 34.841 31.823 0.471 0.000 1.004 220 V HN -0.157 nan 8.190 nan 0.000 0.424 221 L N 3.908 125.266 121.223 0.226 0.000 2.264 221 L HA 0.438 4.778 4.340 0.001 0.000 0.287 221 L C -0.847 176.215 176.870 0.320 0.000 1.039 221 L CA -0.237 54.714 54.840 0.184 0.000 0.829 221 L CB 0.733 42.780 42.059 -0.019 0.000 1.211 221 L HN 0.821 nan 8.230 nan 0.000 0.427 222 W N 4.861 126.225 121.300 0.108 0.000 2.322 222 W HA 0.361 5.021 4.660 0.001 0.000 0.321 222 W C 0.325 176.711 176.519 -0.221 0.000 0.991 222 W CA -0.503 56.866 57.345 0.041 0.000 1.448 222 W CB 0.973 30.539 29.460 0.176 0.000 1.239 222 W HN 0.517 nan 8.180 nan 0.000 0.399 223 N N 3.013 121.433 118.700 -0.466 0.000 2.509 223 N HA 0.649 5.390 4.740 0.001 0.000 0.287 223 N C -0.195 175.106 175.510 -0.349 0.000 1.121 223 N CA -0.111 52.546 53.050 -0.656 0.000 0.977 223 N CB 1.210 38.724 38.487 -1.622 0.000 1.167 223 N HN 0.410 nan 8.380 nan 0.000 0.476 224 G N 1.850 110.530 108.800 -0.200 0.000 2.452 224 G HA2 0.523 4.484 3.960 0.001 0.000 0.324 224 G HA3 0.523 4.484 3.960 0.001 0.000 0.324 224 G C -0.136 174.809 174.900 0.074 0.000 1.214 224 G CA -0.463 44.718 45.100 0.134 0.000 0.947 224 G HN 0.677 nan 8.290 nan 0.000 0.478 225 M N -0.213 119.458 119.600 0.119 0.000 2.818 225 M HA -0.162 4.319 4.480 0.001 0.000 0.204 225 M C 0.929 177.247 176.300 0.030 0.000 0.552 225 M CA 1.173 56.515 55.300 0.070 0.000 0.687 225 M CB -2.180 30.419 32.600 -0.002 0.000 2.512 225 M HN 2.427 nan 8.290 nan 0.000 0.563 226 G N -0.482 108.337 108.800 0.031 0.000 2.795 226 G HA2 -0.186 3.774 3.960 0.001 0.000 0.664 226 G HA3 -0.186 3.774 3.960 0.001 0.000 0.664 226 G C -0.776 174.251 174.900 0.213 0.000 1.381 226 G CA -0.155 45.004 45.100 0.099 0.000 0.853 226 G HN 0.670 nan 8.290 nan 0.000 0.545 227 W N 1.467 122.825 121.300 0.097 0.000 2.606 227 W HA 0.548 5.208 4.660 0.000 0.000 0.332 227 W C -1.934 174.664 176.519 0.133 0.000 1.052 227 W CA -1.901 55.542 57.345 0.163 0.000 1.223 227 W CB 2.060 31.688 29.460 0.281 0.000 1.383 227 W HN 0.558 nan 8.180 nan 0.000 0.524 228 P HA -0.118 nan 4.420 nan 0.000 0.261 228 P C 0.497 177.834 177.300 0.061 0.000 1.183 228 P CA 0.764 63.798 63.100 -0.110 0.000 0.761 228 P CB 0.794 32.388 31.700 -0.177 0.000 0.785 229 E N 3.955 124.192 120.200 0.062 0.000 2.114 229 E HA -0.248 4.102 4.350 0.001 0.000 0.199 229 E C 1.396 178.058 176.600 0.104 0.000 1.008 229 E CA 1.921 58.376 56.400 0.092 0.000 0.810 229 E CB -0.303 29.423 29.700 0.043 0.000 0.739 229 E HN 0.406 nan 8.360 nan 0.000 0.456 230 K N -1.629 118.797 120.400 0.042 0.000 2.283 230 K HA 0.002 4.323 4.320 0.001 0.000 0.202 230 K C 1.672 178.361 176.600 0.149 0.000 1.048 230 K CA 0.968 57.290 56.287 0.057 0.000 0.948 230 K CB 0.044 32.483 32.500 -0.101 0.000 0.742 230 K HN 0.207 nan 8.250 nan 0.000 0.458 231 G N 0.270 109.190 108.800 0.200 0.000 3.126 231 G HA2 -0.023 3.937 3.960 0.001 0.000 0.224 231 G HA3 -0.023 3.937 3.960 0.001 0.000 0.224 231 G C 0.888 176.090 174.900 0.504 0.000 1.142 231 G CA -0.265 45.048 45.100 0.355 0.000 0.759 231 G HN 0.084 nan 8.290 nan 0.000 0.550 232 K N 0.535 121.188 120.400 0.422 0.000 2.097 232 K HA -0.059 4.261 4.320 0.001 0.000 0.206 232 K C 2.044 178.772 176.600 0.212 0.000 1.049 232 K CA 0.941 57.434 56.287 0.345 0.000 0.933 232 K CB 0.094 32.760 32.500 0.277 0.000 0.717 232 K HN 0.085 nan 8.250 nan 0.000 0.442 233 E N 1.050 121.362 120.200 0.187 0.000 2.268 233 E HA -0.155 4.195 4.350 0.001 0.000 0.195 233 E C 1.306 177.899 176.600 -0.012 0.000 0.995 233 E CA 0.933 57.392 56.400 0.098 0.000 0.836 233 E CB -0.119 29.642 29.700 0.102 0.000 0.763 233 E HN 0.298 nan 8.360 nan 0.000 0.491 234 D N 0.519 120.952 120.400 0.055 0.000 2.178 234 D HA -0.113 4.528 4.640 0.001 0.000 0.201 234 D C 2.010 178.241 176.300 -0.115 0.000 0.980 234 D CA 0.459 54.491 54.000 0.054 0.000 0.842 234 D CB -0.214 40.605 40.800 0.032 0.000 0.948 234 D HN 0.222 nan 8.370 nan 0.000 0.472 235 L N 0.879 121.879 121.223 -0.372 0.000 2.265 235 L HA -0.137 4.204 4.340 0.001 0.000 0.215 235 L C 2.394 178.656 176.870 -1.014 0.000 1.117 235 L CA 0.942 55.247 54.840 -0.891 0.000 0.782 235 L CB -0.402 40.991 42.059 -1.110 0.000 0.914 235 L HN 0.165 nan 8.230 nan 0.000 0.441 236 K N -0.514 119.361 120.400 -0.875 0.000 2.116 236 K HA -0.164 4.157 4.320 0.001 0.000 0.203 236 K C 1.934 178.123 176.600 -0.686 0.000 1.052 236 K CA 1.158 56.819 56.287 -1.042 0.000 0.952 236 K CB -0.465 31.052 32.500 -1.637 0.000 0.729 236 K HN 0.132 nan 8.250 nan 0.000 0.446 237 Y N 1.686 121.779 120.300 -0.345 0.000 2.200 237 Y HA -0.096 4.454 4.550 0.001 0.000 0.290 237 Y C 2.379 178.211 175.900 -0.113 0.000 1.137 237 Y CA 0.839 58.835 58.100 -0.174 0.000 1.163 237 Y CB -0.546 37.838 38.460 -0.126 0.000 0.988 237 Y HN 0.007 nan 8.280 nan 0.000 0.518 238 L N -1.549 119.632 121.223 -0.071 0.000 2.109 238 L HA -0.166 4.175 4.340 0.001 0.000 0.207 238 L C 1.917 178.749 176.870 -0.064 0.000 1.086 238 L CA 1.116 55.883 54.840 -0.122 0.000 0.760 238 L CB -0.331 41.540 42.059 -0.313 0.000 0.910 238 L HN 0.035 nan 8.230 nan 0.000 0.437 239 F N 0.173 119.905 119.950 -0.364 0.000 2.084 239 F HA -0.079 4.448 4.527 0.000 0.000 0.296 239 F C 2.685 178.190 175.800 -0.492 0.000 1.111 239 F CA 0.684 58.333 58.000 -0.585 0.000 1.224 239 F CB -1.620 37.024 39.000 -0.594 0.000 0.991 239 F HN 0.156 nan 8.300 nan 0.000 0.471 240 A N -0.540 122.264 122.820 -0.027 0.000 1.892 240 A HA -0.311 4.010 4.320 0.001 0.000 0.218 240 A C 2.213 179.883 177.584 0.144 0.000 1.188 240 A CA 1.920 54.008 52.037 0.084 0.000 0.631 240 A CB -1.738 17.309 19.000 0.078 0.000 0.822 240 A HN 0.471 nan 8.150 nan 0.000 0.447 241 Y N -1.452 118.864 120.300 0.026 0.000 2.097 241 Y HA -0.323 4.228 4.550 0.001 0.000 0.282 241 Y C 2.337 178.279 175.900 0.069 0.000 1.152 241 Y CA 2.512 60.642 58.100 0.051 0.000 1.136 241 Y CB -0.586 37.895 38.460 0.035 0.000 0.975 241 Y HN 0.444 nan 8.280 nan 0.000 0.498 242 Y N -0.241 120.057 120.300 -0.003 0.000 2.097 242 Y HA -0.353 4.197 4.550 0.001 0.000 0.282 242 Y C 2.092 177.948 175.900 -0.072 0.000 1.152 242 Y CA 2.074 60.109 58.100 -0.107 0.000 1.136 242 Y CB -1.207 37.115 38.460 -0.229 0.000 0.975 242 Y HN 0.237 nan 8.280 nan 0.000 0.498 243 Y N 0.337 120.527 120.300 -0.184 0.000 2.224 243 Y HA -0.199 4.351 4.550 0.001 0.000 0.289 243 Y C 2.386 178.260 175.900 -0.043 0.000 1.146 243 Y CA 1.330 59.239 58.100 -0.318 0.000 1.182 243 Y CB -1.080 37.025 38.460 -0.592 0.000 0.983 243 Y HN 0.236 nan 8.280 nan 0.000 0.524 244 N N 0.161 118.966 118.700 0.174 0.000 2.270 244 N HA -0.108 4.632 4.740 0.001 0.000 0.181 244 N C 1.609 177.124 175.510 0.009 0.000 1.016 244 N CA 1.043 54.169 53.050 0.126 0.000 0.870 244 N CB -0.172 38.368 38.487 0.088 0.000 0.979 244 N HN 0.398 nan 8.380 nan 0.000 0.431 245 K N -0.754 119.593 120.400 -0.089 0.000 2.116 245 K HA -0.065 4.255 4.320 0.001 0.000 0.203 245 K C 0.200 176.813 176.600 0.022 0.000 1.052 245 K CA 0.845 57.076 56.287 -0.093 0.000 0.952 245 K CB 0.054 32.439 32.500 -0.192 0.000 0.729 245 K HN 0.160 nan 8.250 nan 0.000 0.446 246 H N -0.343 118.634 119.070 -0.156 0.000 2.538 246 H HA 0.210 4.767 4.556 0.001 0.000 0.239 246 H C -2.570 172.700 175.328 -0.096 0.000 1.401 246 H CA -2.415 53.542 56.048 -0.151 0.000 1.499 246 H CB 1.043 30.659 29.762 -0.243 0.000 1.624 246 H HN -0.140 nan 8.280 nan 0.000 0.524 247 P HA -0.143 nan 4.420 nan 0.000 0.217 247 P C 0.711 178.006 177.300 -0.008 0.000 1.148 247 P CA 1.338 64.478 63.100 0.068 0.000 0.828 247 P CB 0.405 32.187 31.700 0.135 0.000 0.783 248 E N -0.628 119.451 120.200 -0.202 0.000 2.502 248 E HA 0.101 4.451 4.350 0.001 0.000 0.194 248 E C 1.264 177.774 176.600 -0.148 0.000 1.062 248 E CA -0.303 56.049 56.400 -0.080 0.000 0.867 248 E CB -0.306 29.447 29.700 0.089 0.000 0.888 248 E HN 0.206 nan 8.360 nan 0.000 0.510 249 G N 1.227 109.642 108.800 -0.641 0.000 2.664 249 G HA2 0.188 4.148 3.960 0.001 0.000 0.242 249 G HA3 0.188 4.148 3.960 0.001 0.000 0.242 249 G C -0.063 175.033 174.900 0.326 0.000 1.225 249 G CA -0.099 44.906 45.100 -0.159 0.000 0.849 249 G HN 0.169 nan 8.290 nan 0.000 0.581 250 S N -1.817 114.205 115.700 0.537 0.000 2.618 250 S HA 0.740 5.211 4.470 0.001 0.000 0.277 250 S C -1.294 173.480 174.600 0.290 0.000 1.138 250 S CA -0.833 57.593 58.200 0.377 0.000 0.844 250 S CB 2.333 65.615 63.200 0.137 0.000 1.127 250 S HN 0.870 nan 8.310 nan 0.000 0.474 251 V N 2.719 122.650 119.914 0.029 0.000 2.733 251 V HA 0.483 4.603 4.120 0.001 0.000 0.306 251 V C -0.556 175.220 176.094 -0.530 0.000 1.084 251 V CA -0.781 61.421 62.300 -0.164 0.000 0.905 251 V CB 2.035 33.557 31.823 -0.501 0.000 1.010 251 V HN 1.127 nan 8.190 nan 0.000 0.424 252 N N 3.364 121.730 118.700 -0.556 0.000 2.381 252 N HA 0.194 4.934 4.740 0.001 0.000 0.289 252 N C -0.073 175.199 175.510 -0.397 0.000 1.288 252 N CA -0.058 52.327 53.050 -1.108 0.000 0.960 252 N CB 0.522 38.268 38.487 -1.235 0.000 1.116 252 N HN 0.702 nan 8.380 nan 0.000 0.557 253 D N -2.143 117.961 120.400 -0.494 0.000 2.670 253 D HA 0.142 4.782 4.640 0.001 0.000 0.255 253 D C -0.263 175.885 176.300 -0.253 0.000 1.286 253 D CA -0.289 53.540 54.000 -0.284 0.000 0.830 253 D CB -0.251 40.117 40.800 -0.720 0.000 1.065 253 D HN 0.494 nan 8.370 nan 0.000 0.486 254 R N 0.067 120.340 120.500 -0.378 0.000 2.767 254 R HA 0.242 4.582 4.340 0.001 0.000 0.377 254 R C -0.136 175.987 176.300 -0.295 0.000 1.151 254 R CA -0.315 55.587 56.100 -0.330 0.000 1.046 254 R CB -0.014 30.042 30.300 -0.407 0.000 1.404 254 R HN 0.152 nan 8.270 nan 0.000 0.580 255 W N -0.297 121.012 121.300 0.014 0.000 2.808 255 W HA 0.243 4.904 4.660 0.001 0.000 0.266 255 W C 1.367 177.955 176.519 0.116 0.000 1.247 255 W CA 0.529 57.944 57.345 0.118 0.000 1.440 255 W CB 0.448 29.959 29.460 0.086 0.000 1.040 255 W HN 0.324 nan 8.180 nan 0.000 0.606 256 G N 1.225 110.172 108.800 0.244 0.000 2.182 256 G HA2 -0.106 3.854 3.960 0.001 0.000 0.248 256 G HA3 -0.106 3.854 3.960 0.001 0.000 0.248 256 G C -0.262 174.676 174.900 0.064 0.000 1.042 256 G CA 0.106 45.285 45.100 0.132 0.000 0.775 256 G HN 0.527 nan 8.290 nan 0.000 0.501 257 V N -4.278 115.642 119.914 0.010 0.000 3.141 257 V HA 0.895 5.016 4.120 0.001 0.000 0.312 257 V C -1.421 174.431 176.094 -0.403 0.000 1.157 257 V CA -1.715 60.394 62.300 -0.318 0.000 1.041 257 V CB 1.650 33.177 31.823 -0.494 0.000 1.071 257 V HN -0.068 nan 8.190 nan 0.000 0.441 258 P HA 0.103 nan 4.420 nan 0.000 0.239 258 P C -0.303 176.852 177.300 -0.243 0.000 1.184 258 P CA 1.178 63.978 63.100 -0.500 0.000 0.760 258 P CB -0.436 30.851 31.700 -0.690 0.000 0.884 259 H N -0.020 118.895 119.070 -0.258 0.000 2.637 259 H HA 0.534 5.091 4.556 0.001 0.000 0.363 259 H C -1.253 174.057 175.328 -0.030 0.000 1.131 259 H CA -0.771 55.193 56.048 -0.140 0.000 1.183 259 H CB 1.123 30.971 29.762 0.142 0.000 1.637 259 H HN -0.050 nan 8.280 nan 0.000 0.531 260 W N 4.072 124.834 121.300 -0.896 0.000 3.298 260 W HA 0.258 4.919 4.660 0.000 0.000 0.302 260 W C -1.264 174.837 176.519 -0.696 0.000 1.255 260 W CA -0.639 56.283 57.345 -0.705 0.000 1.196 260 W CB 0.722 29.955 29.460 -0.379 0.000 1.364 260 W HN 0.470 nan 8.180 nan 0.000 0.566 261 D N 1.159 121.434 120.400 -0.209 0.000 2.338 261 D HA 0.106 4.746 4.640 0.001 0.000 0.208 261 D C 0.143 176.651 176.300 0.347 0.000 0.997 261 D CA 1.252 55.234 54.000 -0.031 0.000 0.880 261 D CB 0.702 41.514 40.800 0.019 0.000 0.980 261 D HN 0.243 nan 8.370 nan 0.000 0.509 262 F N -0.721 119.431 119.950 0.337 0.000 2.619 262 F HA 0.506 5.033 4.527 0.001 0.000 0.308 262 F C -0.527 175.303 175.800 0.051 0.000 1.097 262 F CA -1.424 56.772 58.000 0.326 0.000 0.953 262 F CB 1.200 40.308 39.000 0.181 0.000 1.287 262 F HN -0.524 nan 8.300 nan 0.000 0.446 263 K N 1.338 121.781 120.400 0.071 0.000 2.118 263 K HA 0.542 4.862 4.320 0.001 0.000 0.264 263 K C -0.253 176.504 176.600 0.260 0.000 1.000 263 K CA -0.525 55.627 56.287 -0.225 0.000 0.929 263 K CB 1.645 33.919 32.500 -0.377 0.000 1.021 263 K HN 0.897 nan 8.250 nan 0.000 0.463 264 T N -1.849 112.776 114.554 0.118 0.000 2.925 264 T HA 0.734 5.084 4.350 0.001 0.000 0.285 264 T C -0.579 174.318 174.700 0.328 0.000 1.021 264 T CA -1.011 61.285 62.100 0.327 0.000 1.042 264 T CB 1.791 70.786 68.868 0.212 0.000 1.037 264 T HN 0.571 nan 8.240 nan 0.000 0.481 265 A N 1.807 124.917 122.820 0.483 0.000 2.449 265 A HA 0.729 5.049 4.320 0.001 0.000 0.302 265 A C -0.337 177.536 177.584 0.482 0.000 1.048 265 A CA -1.047 51.266 52.037 0.460 0.000 0.708 265 A CB 1.470 20.783 19.000 0.522 0.000 1.274 265 A HN 0.921 nan 8.150 nan 0.000 0.410 266 E N 0.192 120.645 120.200 0.422 0.000 2.968 266 E HA 0.448 4.798 4.350 0.001 0.000 0.202 266 E C -0.687 176.207 176.600 0.490 0.000 0.979 266 E CA -0.160 56.455 56.400 0.358 0.000 1.192 266 E CB 0.206 30.104 29.700 0.331 0.000 1.059 266 E HN 0.579 nan 8.360 nan 0.000 0.470 276 P HA 0.282 nan 4.420 nan 0.000 0.275 276 P C 0.607 177.786 177.300 -0.203 0.000 1.228 276 P CA -0.308 62.619 63.100 -0.289 0.000 0.786 276 P CB 1.423 32.694 31.700 -0.715 0.000 0.927 277 G N 0.699 109.433 108.800 -0.109 0.000 3.141 277 G HA2 0.200 4.161 3.960 0.001 0.000 0.218 277 G HA3 0.200 4.161 3.960 0.001 0.000 0.218 277 G C 0.002 175.006 174.900 0.174 0.000 1.170 277 G CA -0.172 44.963 45.100 0.058 0.000 0.769 277 G HN 0.656 nan 8.290 nan 0.000 0.546 278 Y N -2.102 118.347 120.300 0.249 0.000 2.570 278 Y HA 0.792 5.342 4.550 0.001 0.000 0.345 278 Y C -0.132 176.015 175.900 0.412 0.000 1.014 278 Y CA -2.423 55.877 58.100 0.332 0.000 1.063 278 Y CB 1.210 39.952 38.460 0.470 0.000 1.272 278 Y HN -0.178 nan 8.280 nan 0.000 0.477 279 K N 3.558 124.302 120.400 0.573 0.000 2.270 279 K HA 0.291 4.611 4.320 0.001 0.000 0.276 279 K C -0.991 176.049 176.600 0.734 0.000 1.023 279 K CA -0.358 56.221 56.287 0.486 0.000 0.955 279 K CB 0.327 33.063 32.500 0.392 0.000 0.975 279 K HN 0.836 nan 8.250 nan 0.000 0.471 280 W N 1.838 123.367 121.300 0.381 0.000 3.098 280 W HA 0.604 5.264 4.660 0.001 0.000 0.367 280 W C -1.352 175.379 176.519 0.352 0.000 1.163 280 W CA -0.806 56.788 57.345 0.415 0.000 1.113 280 W CB 0.760 30.444 29.460 0.372 0.000 1.501 280 W HN 0.611 nan 8.180 nan 0.000 0.598 281 E N 1.038 121.575 120.200 0.561 0.000 2.307 281 E HA 0.330 4.680 4.350 0.001 0.000 0.280 281 E C -2.334 174.627 176.600 0.601 0.000 0.900 281 E CA -0.600 55.999 56.400 0.331 0.000 0.790 281 E CB 2.440 32.376 29.700 0.394 0.000 1.261 281 E HN 0.294 nan 8.360 nan 0.000 0.405 282 F N 3.385 123.516 119.950 0.302 0.000 2.411 282 F HA 0.400 4.928 4.527 0.001 0.000 0.350 282 F C -0.277 175.723 175.800 0.334 0.000 1.114 282 F CA 0.064 58.307 58.000 0.406 0.000 1.135 282 F CB 1.638 40.854 39.000 0.360 0.000 1.120 282 F HN 0.265 nan 8.300 nan 0.000 0.495 283 T N 7.190 121.628 114.554 -0.192 0.000 2.807 283 T HA 0.741 5.091 4.350 0.001 0.000 0.279 283 T C -0.887 173.595 174.700 -0.364 0.000 0.993 283 T CA -0.551 61.516 62.100 -0.054 0.000 0.970 283 T CB 0.549 69.647 68.868 0.384 0.000 0.950 283 T HN 0.936 nan 8.240 nan 0.000 0.441 284 R N 1.953 122.313 120.500 -0.234 0.000 2.728 284 R HA 0.727 5.067 4.340 0.001 0.000 0.274 284 R C -0.220 175.876 176.300 -0.340 0.000 1.030 284 R CA -1.244 54.668 56.100 -0.314 0.000 0.876 284 R CB 0.382 30.483 30.300 -0.332 0.000 1.259 284 R HN 0.700 nan 8.270 nan 0.000 0.468 285 G N 0.293 108.724 108.800 -0.615 0.000 2.562 285 G HA2 0.365 4.325 3.960 0.001 0.000 0.275 285 G HA3 0.365 4.325 3.960 0.001 0.000 0.275 285 G C 0.597 175.348 174.900 -0.248 0.000 1.196 285 G CA -1.052 43.740 45.100 -0.514 0.000 0.908 285 G HN 0.562 nan 8.290 nan 0.000 0.524 286 I N 0.625 121.093 120.570 -0.170 0.000 2.315 286 I HA 0.017 4.188 4.170 0.001 0.000 0.248 286 I C 2.059 178.118 176.117 -0.097 0.000 1.117 286 I CA 1.163 62.406 61.300 -0.096 0.000 1.404 286 I CB -0.271 37.694 38.000 -0.059 0.000 1.071 286 I HN 0.518 nan 8.210 nan 0.000 0.419 287 G N -0.340 108.382 108.800 -0.130 0.000 2.782 287 G HA2 0.352 4.312 3.960 0.001 0.000 0.201 287 G HA3 0.352 4.312 3.960 0.001 0.000 0.201 287 G C 0.288 175.096 174.900 -0.154 0.000 1.374 287 G CA -0.385 44.652 45.100 -0.106 0.000 1.039 287 G HN -0.051 nan 8.290 nan 0.000 0.576 288 L N 0.041 121.188 121.223 -0.127 0.000 2.307 288 L HA 0.226 4.567 4.340 0.001 0.000 0.211 288 L C 1.938 178.732 176.870 -0.127 0.000 1.099 288 L CA 0.964 55.748 54.840 -0.093 0.000 0.816 288 L CB -0.193 41.831 42.059 -0.059 0.000 0.952 288 L HN 0.544 nan 8.230 nan 0.000 0.455 289 S N -2.477 113.091 115.700 -0.219 0.000 2.745 289 S HA 0.351 4.821 4.470 0.001 0.000 0.292 289 S C 0.733 174.990 174.600 -0.571 0.000 1.133 289 S CA -0.428 57.611 58.200 -0.268 0.000 0.998 289 S CB 0.729 63.860 63.200 -0.116 0.000 1.087 289 S HN 0.045 nan 8.310 nan 0.000 0.551 290 F N 0.770 120.372 119.950 -0.580 0.000 2.343 290 F HA 0.364 4.891 4.527 0.001 0.000 0.286 290 F C 1.936 177.496 175.800 -0.400 0.000 1.057 290 F CA 0.477 58.050 58.000 -0.712 0.000 1.365 290 F CB -0.774 37.349 39.000 -1.463 0.000 1.114 290 F HN 0.773 nan 8.300 nan 0.000 0.545 291 G N -1.153 107.596 108.800 -0.085 0.000 2.539 291 G HA2 0.129 4.089 3.960 0.001 0.000 0.258 291 G HA3 0.129 4.089 3.960 0.001 0.000 0.258 291 G C -1.266 173.719 174.900 0.142 0.000 1.202 291 G CA -0.371 44.805 45.100 0.128 0.000 0.851 291 G HN 0.109 nan 8.290 nan 0.000 0.556 292 Y N 1.505 121.870 120.300 0.110 0.000 2.810 292 Y HA 0.070 4.620 4.550 0.001 0.000 0.332 292 Y C 0.106 176.025 175.900 0.031 0.000 1.243 292 Y CA -0.129 58.006 58.100 0.058 0.000 1.537 292 Y CB 0.406 38.925 38.460 0.097 0.000 1.265 292 Y HN 0.443 nan 8.280 nan 0.000 0.572 293 N N 5.512 123.884 118.700 -0.547 0.000 2.491 293 N HA 0.278 5.019 4.740 0.001 0.000 0.274 293 N C 0.358 175.392 175.510 -0.793 0.000 1.023 293 N CA -0.607 52.073 53.050 -0.617 0.000 0.902 293 N CB 0.895 39.147 38.487 -0.392 0.000 1.267 293 N HN 0.764 nan 8.380 nan 0.000 0.503 294 R N 1.673 121.693 120.500 -0.799 0.000 2.091 294 R HA -0.034 4.307 4.340 0.001 0.000 0.238 294 R C 0.835 176.985 176.300 -0.250 0.000 1.136 294 R CA 1.370 57.222 56.100 -0.413 0.000 0.959 294 R CB 0.011 30.235 30.300 -0.126 0.000 0.856 294 R HN 0.552 nan 8.270 nan 0.000 0.437 295 N N 1.014 119.496 118.700 -0.362 0.000 2.512 295 N HA -0.072 4.668 4.740 0.001 0.000 0.183 295 N C -0.238 175.105 175.510 -0.278 0.000 1.073 295 N CA 0.639 53.500 53.050 -0.316 0.000 0.911 295 N CB 0.097 38.278 38.487 -0.512 0.000 0.964 295 N HN 0.376 nan 8.380 nan 0.000 0.447 296 E N 0.281 120.307 120.200 -0.289 0.000 2.259 296 E HA 0.361 4.711 4.350 0.001 0.000 0.281 296 E C 0.459 177.103 176.600 0.072 0.000 1.037 296 E CA -0.368 55.935 56.400 -0.162 0.000 0.854 296 E CB 1.010 30.599 29.700 -0.184 0.000 1.051 296 E HN 0.181 nan 8.360 nan 0.000 0.409 297 G N 2.942 111.911 108.800 0.281 0.000 3.016 297 G HA2 0.250 4.210 3.960 0.001 0.000 0.270 297 G HA3 0.250 4.210 3.960 0.001 0.000 0.270 297 G C -1.993 172.950 174.900 0.072 0.000 1.352 297 G CA -1.154 44.020 45.100 0.122 0.000 1.060 297 G HN 0.266 nan 8.290 nan 0.000 0.538 298 P HA -0.095 nan 4.420 nan 0.000 0.219 298 P C 1.719 178.969 177.300 -0.083 0.000 1.146 298 P CA 1.360 64.442 63.100 -0.031 0.000 0.808 298 P CB 0.180 31.860 31.700 -0.033 0.000 0.779 299 E N -0.272 119.825 120.200 -0.172 0.000 2.265 299 E HA -0.216 4.134 4.350 0.001 0.000 0.196 299 E C 0.738 177.127 176.600 -0.352 0.000 0.996 299 E CA 1.483 57.709 56.400 -0.291 0.000 0.832 299 E CB -1.206 28.257 29.700 -0.395 0.000 0.756 299 E HN 0.468 nan 8.360 nan 0.000 0.491 300 H N -0.374 118.664 119.070 -0.054 0.000 2.551 300 H HA 0.362 4.919 4.556 0.001 0.000 0.271 300 H C 0.430 175.719 175.328 -0.065 0.000 0.984 300 H CA -0.079 55.931 56.048 -0.064 0.000 1.164 300 H CB 0.258 29.970 29.762 -0.085 0.000 1.437 300 H HN 0.035 nan 8.280 nan 0.000 0.550 301 M N 0.752 120.363 119.600 0.018 0.000 2.598 301 M HA 0.324 4.804 4.480 0.001 0.000 0.317 301 M C -0.692 175.588 176.300 -0.033 0.000 1.179 301 M CA -0.854 54.440 55.300 -0.011 0.000 0.936 301 M CB 2.675 35.267 32.600 -0.013 0.000 1.713 301 M HN -0.022 nan 8.290 nan 0.000 0.460 302 L N 1.280 122.478 121.223 -0.042 0.000 2.439 302 L HA 0.236 4.577 4.340 0.001 0.000 0.269 302 L C 0.684 177.512 176.870 -0.070 0.000 1.179 302 L CA -0.277 54.531 54.840 -0.054 0.000 0.828 302 L CB 0.936 42.962 42.059 -0.056 0.000 1.106 302 L HN 0.831 nan 8.230 nan 0.000 0.467 303 S N 0.994 116.641 115.700 -0.088 0.000 2.645 303 S HA 0.219 4.689 4.470 0.001 0.000 0.266 303 S C 1.121 175.634 174.600 -0.146 0.000 1.258 303 S CA -0.981 57.156 58.200 -0.104 0.000 0.990 303 S CB 1.527 64.661 63.200 -0.109 0.000 0.967 303 S HN 0.325 nan 8.310 nan 0.000 0.556 304 V N 1.151 120.980 119.914 -0.141 0.000 2.380 304 V HA -0.209 3.912 4.120 0.001 0.000 0.251 304 V C 2.767 178.678 176.094 -0.305 0.000 1.063 304 V CA 2.483 64.678 62.300 -0.175 0.000 1.055 304 V CB -1.301 30.452 31.823 -0.116 0.000 0.657 304 V HN 1.055 nan 8.190 nan 0.000 0.455 305 E N -0.209 119.784 120.200 -0.345 0.000 2.077 305 E HA -0.275 4.076 4.350 0.001 0.000 0.193 305 E C 2.260 178.384 176.600 -0.794 0.000 0.989 305 E CA 1.535 57.567 56.400 -0.613 0.000 0.800 305 E CB -0.111 29.291 29.700 -0.497 0.000 0.746 305 E HN 0.695 nan 8.360 nan 0.000 0.452 306 Q N 0.108 119.657 119.800 -0.419 0.000 2.123 306 Q HA -0.100 4.241 4.340 0.001 0.000 0.199 306 Q C 2.428 178.296 176.000 -0.221 0.000 0.966 306 Q CA 1.120 56.782 55.803 -0.234 0.000 0.845 306 Q CB 0.011 28.686 28.738 -0.105 0.000 0.907 306 Q HN 0.353 nan 8.270 nan 0.000 0.439 307 L N -0.219 120.853 121.223 -0.251 0.000 2.012 307 L HA -0.221 4.120 4.340 0.001 0.000 0.210 307 L C 2.343 178.993 176.870 -0.367 0.000 1.073 307 L CA 0.923 55.615 54.840 -0.246 0.000 0.748 307 L CB -0.554 41.370 42.059 -0.226 0.000 0.891 307 L HN 0.103 nan 8.230 nan 0.000 0.431 308 V N -1.020 118.571 119.914 -0.538 0.000 2.255 308 V HA -0.341 3.779 4.120 0.001 0.000 0.247 308 V C 2.356 178.104 176.094 -0.577 0.000 1.051 308 V CA 1.876 63.685 62.300 -0.818 0.000 1.018 308 V CB -0.751 30.340 31.823 -1.221 0.000 0.641 308 V HN 0.285 nan 8.190 nan 0.000 0.445 309 Y N 1.167 121.188 120.300 -0.467 0.000 2.151 309 Y HA -0.235 4.315 4.550 0.001 0.000 0.284 309 Y C 2.835 178.568 175.900 -0.278 0.000 1.166 309 Y CA 1.577 59.472 58.100 -0.340 0.000 1.163 309 Y CB -1.744 36.569 38.460 -0.245 0.000 0.974 309 Y HN 0.279 nan 8.280 nan 0.000 0.511 310 T N 1.259 115.765 114.554 -0.080 0.000 2.643 310 T HA -0.179 4.172 4.350 0.001 0.000 0.264 310 T C 2.176 176.796 174.700 -0.132 0.000 1.045 310 T CA 1.269 63.310 62.100 -0.098 0.000 1.155 310 T CB -0.766 68.074 68.868 -0.046 0.000 0.863 310 T HN 0.218 nan 8.240 nan 0.000 0.420 311 L N 1.651 122.753 121.223 -0.202 0.000 2.043 311 L HA -0.127 4.214 4.340 0.001 0.000 0.212 311 L C 2.374 179.124 176.870 -0.201 0.000 1.075 311 L CA 1.838 56.540 54.840 -0.231 0.000 0.752 311 L CB -0.849 40.981 42.059 -0.382 0.000 0.891 311 L HN 0.178 nan 8.230 nan 0.000 0.432 312 V N 0.112 119.889 119.914 -0.228 0.000 2.379 312 V HA -0.254 3.866 4.120 0.001 0.000 0.245 312 V C 2.336 178.358 176.094 -0.119 0.000 1.044 312 V CA 1.860 64.060 62.300 -0.166 0.000 1.036 312 V CB -0.590 31.123 31.823 -0.183 0.000 0.664 312 V HN 0.449 nan 8.190 nan 0.000 0.453 313 D N 0.240 120.570 120.400 -0.118 0.000 2.097 313 D HA -0.160 4.480 4.640 0.001 0.000 0.195 313 D C 2.042 178.324 176.300 -0.030 0.000 0.989 313 D CA 1.561 55.511 54.000 -0.083 0.000 0.827 313 D CB -0.097 40.641 40.800 -0.103 0.000 0.966 313 D HN 0.180 nan 8.370 nan 0.000 0.456 314 V N -0.220 119.663 119.914 -0.052 0.000 2.343 314 V HA -0.201 3.919 4.120 0.001 0.000 0.247 314 V C 2.577 178.603 176.094 -0.113 0.000 1.051 314 V CA 1.329 63.603 62.300 -0.044 0.000 1.036 314 V CB -0.325 31.437 31.823 -0.102 0.000 0.654 314 V HN 0.167 nan 8.190 nan 0.000 0.451 315 V N 0.936 120.780 119.914 -0.116 0.000 2.427 315 V HA -0.205 3.916 4.120 0.001 0.000 0.248 315 V C 2.656 178.730 176.094 -0.033 0.000 1.051 315 V CA 2.133 64.367 62.300 -0.110 0.000 1.048 315 V CB -0.779 30.979 31.823 -0.108 0.000 0.666 315 V HN 0.771 nan 8.190 nan 0.000 0.456 316 S N 0.062 115.763 115.700 0.002 0.000 2.447 316 S HA -0.152 4.318 4.470 0.001 0.000 0.233 316 S C 1.621 176.292 174.600 0.119 0.000 1.006 316 S CA 1.058 59.299 58.200 0.068 0.000 0.957 316 S CB -0.355 62.877 63.200 0.054 0.000 0.773 316 S HN 0.661 nan 8.310 nan 0.000 0.507 317 K N 0.583 121.069 120.400 0.143 0.000 2.397 317 K HA 0.367 4.687 4.320 0.001 0.000 0.202 317 K C 0.990 177.807 176.600 0.362 0.000 1.022 317 K CA 0.309 56.753 56.287 0.262 0.000 1.141 317 K CB 0.310 33.024 32.500 0.357 0.000 0.857 317 K HN 0.492 nan 8.250 nan 0.000 0.514 318 G N 0.683 109.561 108.800 0.131 0.000 2.157 318 G HA2 -0.210 3.750 3.960 0.001 0.000 0.239 318 G HA3 -0.210 3.750 3.960 0.001 0.000 0.239 318 G C 0.268 174.962 174.900 -0.343 0.000 0.982 318 G CA -0.268 44.852 45.100 0.033 0.000 0.650 318 G HN 0.485 nan 8.290 nan 0.000 0.527 319 G N -0.711 107.643 108.800 -0.743 0.000 2.509 319 G HA2 0.612 4.572 3.960 0.001 0.000 0.328 319 G HA3 0.612 4.572 3.960 0.001 0.000 0.328 319 G C -0.405 174.102 174.900 -0.655 0.000 1.194 319 G CA -0.579 43.707 45.100 -1.358 0.000 0.967 319 G HN 0.227 nan 8.290 nan 0.000 0.488 320 N N -1.325 117.063 118.700 -0.520 0.000 2.482 320 N HA 0.550 5.290 4.740 0.001 0.000 0.279 320 N C -0.945 174.503 175.510 -0.103 0.000 1.182 320 N CA -0.599 52.289 53.050 -0.269 0.000 0.969 320 N CB 1.832 40.130 38.487 -0.315 0.000 1.201 320 N HN 0.336 nan 8.380 nan 0.000 0.523 321 L N 0.914 122.166 121.223 0.047 0.000 2.313 321 L HA 0.495 4.836 4.340 0.001 0.000 0.283 321 L C -1.168 175.814 176.870 0.186 0.000 1.013 321 L CA -0.253 54.692 54.840 0.175 0.000 0.816 321 L CB 0.748 42.905 42.059 0.164 0.000 1.236 321 L HN 0.417 nan 8.230 nan 0.000 0.419 322 L N 6.378 127.690 121.223 0.148 0.000 2.335 322 L HA 0.366 4.707 4.340 0.001 0.000 0.268 322 L C -1.037 175.896 176.870 0.104 0.000 1.037 322 L CA -0.783 54.082 54.840 0.041 0.000 0.895 322 L CB 1.169 43.243 42.059 0.025 0.000 1.266 322 L HN 0.597 nan 8.230 nan 0.000 0.439 323 L N 4.362 125.661 121.223 0.128 0.000 2.319 323 L HA 0.303 4.643 4.340 0.001 0.000 0.280 323 L C 0.000 176.922 176.870 0.087 0.000 1.099 323 L CA 0.223 55.144 54.840 0.136 0.000 0.828 323 L CB 1.187 43.405 42.059 0.264 0.000 1.150 323 L HN 0.534 nan 8.230 nan 0.000 0.442 324 N N 3.351 122.087 118.700 0.060 0.000 2.479 324 N HA 0.484 5.224 4.740 0.001 0.000 0.285 324 N C -1.362 174.121 175.510 -0.046 0.000 1.075 324 N CA -0.475 52.604 53.050 0.049 0.000 0.967 324 N CB 1.173 39.653 38.487 -0.011 0.000 1.137 324 N HN 0.413 nan 8.380 nan 0.000 0.472 325 V N 1.717 121.605 119.914 -0.042 0.000 2.513 325 V HA 0.651 4.772 4.120 0.001 0.000 0.299 325 V C 0.591 176.656 176.094 -0.049 0.000 1.035 325 V CA -0.797 61.461 62.300 -0.069 0.000 0.889 325 V CB 1.567 33.331 31.823 -0.098 0.000 0.988 325 V HN 0.846 nan 8.190 nan 0.000 0.440 326 G N 5.380 114.163 108.800 -0.029 0.000 2.955 326 G HA2 0.616 4.576 3.960 0.001 0.000 0.336 326 G HA3 0.616 4.576 3.960 0.001 0.000 0.336 326 G C -2.946 171.979 174.900 0.042 0.000 1.264 326 G CA -1.337 43.802 45.100 0.066 0.000 1.096 326 G HN 0.491 nan 8.290 nan 0.000 0.486 327 P HA 0.174 nan 4.420 nan 0.000 0.274 327 P C 0.229 177.513 177.300 -0.026 0.000 1.237 327 P CA -0.259 62.723 63.100 -0.198 0.000 0.793 327 P CB 1.163 32.544 31.700 -0.532 0.000 0.977 328 K N 0.554 120.840 120.400 -0.190 0.000 2.180 328 K HA 0.194 4.514 4.320 0.001 0.000 0.251 328 K C 1.829 178.627 176.600 0.330 0.000 1.014 328 K CA 0.049 56.236 56.287 -0.165 0.000 0.913 328 K CB -0.063 32.250 32.500 -0.312 0.000 1.008 328 K HN 0.538 nan 8.250 nan 0.000 0.490 329 G N 1.184 110.184 108.800 0.333 0.000 2.509 329 G HA2 -0.227 3.733 3.960 0.001 0.000 0.218 329 G HA3 -0.227 3.733 3.960 0.001 0.000 0.218 329 G C 0.851 176.007 174.900 0.426 0.000 1.124 329 G CA 0.873 46.271 45.100 0.496 0.000 0.776 329 G HN 0.805 nan 8.290 nan 0.000 0.547 330 D N -0.782 119.789 120.400 0.284 0.000 2.355 330 D HA 0.194 4.834 4.640 0.001 0.000 0.218 330 D C 1.667 178.135 176.300 0.280 0.000 1.004 330 D CA 0.639 54.764 54.000 0.209 0.000 0.880 330 D CB -0.520 40.362 40.800 0.136 0.000 0.911 330 D HN 0.457 nan 8.370 nan 0.000 0.528 331 G N -0.054 108.993 108.800 0.410 0.000 2.131 331 G HA2 -0.205 3.755 3.960 0.001 0.000 0.223 331 G HA3 -0.205 3.755 3.960 0.001 0.000 0.223 331 G C 0.291 175.456 174.900 0.441 0.000 0.990 331 G CA 0.362 45.712 45.100 0.416 0.000 0.671 331 G HN 0.817 nan 8.290 nan 0.000 0.521 332 T N -1.359 113.355 114.554 0.267 0.000 2.925 332 T HA 0.761 5.111 4.350 0.001 0.000 0.285 332 T C 0.174 174.891 174.700 0.028 0.000 1.021 332 T CA -0.955 61.260 62.100 0.191 0.000 1.042 332 T CB 2.376 71.296 68.868 0.087 0.000 1.037 332 T HN 0.455 nan 8.240 nan 0.000 0.481 333 I N 3.252 123.788 120.570 -0.055 0.000 2.312 333 I HA 0.314 4.485 4.170 0.001 0.000 0.290 333 I C -2.156 173.884 176.117 -0.128 0.000 1.008 333 I CA -2.626 58.551 61.300 -0.205 0.000 1.226 333 I CB 1.507 39.293 38.000 -0.356 0.000 1.371 333 I HN 0.465 nan 8.210 nan 0.000 0.468 334 P HA -0.010 nan 4.420 nan 0.000 0.265 334 P C -0.133 177.149 177.300 -0.030 0.000 1.187 334 P CA 0.074 63.137 63.100 -0.063 0.000 0.766 334 P CB 0.564 32.261 31.700 -0.006 0.000 0.820 335 D N 1.601 121.995 120.400 -0.010 0.000 2.182 335 D HA -0.130 4.510 4.640 0.001 0.000 0.201 335 D C 1.767 178.066 176.300 -0.001 0.000 0.986 335 D CA 1.143 55.139 54.000 -0.007 0.000 0.847 335 D CB -0.395 40.407 40.800 0.003 0.000 0.942 335 D HN 0.340 nan 8.370 nan 0.000 0.467 336 L N 0.192 121.422 121.223 0.011 0.000 2.083 336 L HA -0.220 4.120 4.340 0.001 0.000 0.209 336 L C 2.394 179.265 176.870 0.001 0.000 1.083 336 L CA 1.302 56.149 54.840 0.011 0.000 0.752 336 L CB -0.292 41.784 42.059 0.027 0.000 0.899 336 L HN 0.089 nan 8.230 nan 0.000 0.433 337 Q N -0.329 119.468 119.800 -0.004 0.000 2.062 337 Q HA -0.210 4.130 4.340 0.001 0.000 0.196 337 Q C 2.194 178.187 176.000 -0.012 0.000 0.967 337 Q CA 1.161 56.956 55.803 -0.013 0.000 0.832 337 Q CB -0.078 28.644 28.738 -0.027 0.000 0.899 337 Q HN 0.329 nan 8.270 nan 0.000 0.442 338 K N 1.442 121.825 120.400 -0.028 0.000 2.074 338 K HA -0.270 4.050 4.320 0.001 0.000 0.209 338 K C 1.975 178.571 176.600 -0.006 0.000 1.048 338 K CA 1.698 57.969 56.287 -0.028 0.000 0.926 338 K CB -0.028 32.444 32.500 -0.046 0.000 0.713 338 K HN 0.169 nan 8.250 nan 0.000 0.444 339 E N 0.346 120.543 120.200 -0.006 0.000 2.058 339 E HA -0.234 4.116 4.350 0.001 0.000 0.194 339 E C 2.074 178.675 176.600 0.002 0.000 0.997 339 E CA 1.318 57.717 56.400 -0.001 0.000 0.801 339 E CB 0.075 29.773 29.700 -0.004 0.000 0.746 339 E HN 0.310 nan 8.360 nan 0.000 0.450 340 R N -0.076 120.423 120.500 -0.002 0.000 2.115 340 R HA -0.021 4.320 4.340 0.001 0.000 0.226 340 R C 2.550 178.859 176.300 0.015 0.000 1.100 340 R CA 0.843 56.938 56.100 -0.008 0.000 0.980 340 R CB -0.110 30.177 30.300 -0.021 0.000 0.875 340 R HN 0.238 nan 8.270 nan 0.000 0.445 341 L N 0.278 121.528 121.223 0.046 0.000 2.027 341 L HA -0.181 4.159 4.340 0.001 0.000 0.206 341 L C 2.177 179.109 176.870 0.103 0.000 1.074 341 L CA 1.247 56.150 54.840 0.104 0.000 0.745 341 L CB -0.399 41.737 42.059 0.129 0.000 0.898 341 L HN 0.197 nan 8.230 nan 0.000 0.433 342 L N -0.533 120.730 121.223 0.066 0.000 2.131 342 L HA -0.125 4.215 4.340 0.001 0.000 0.210 342 L C 2.624 179.533 176.870 0.066 0.000 1.092 342 L CA 1.221 56.099 54.840 0.062 0.000 0.759 342 L CB -1.014 41.066 42.059 0.035 0.000 0.903 342 L HN 0.312 nan 8.230 nan 0.000 0.435 343 G N -0.223 108.604 108.800 0.046 0.000 2.404 343 G HA2 -0.213 3.747 3.960 0.001 0.000 0.215 343 G HA3 -0.213 3.747 3.960 0.001 0.000 0.215 343 G C 1.629 176.567 174.900 0.064 0.000 1.174 343 G CA 0.332 45.456 45.100 0.041 0.000 0.780 343 G HN 0.216 nan 8.290 nan 0.000 0.537 344 L N 0.688 121.933 121.223 0.037 0.000 2.012 344 L HA -0.043 4.297 4.340 0.001 0.000 0.210 344 L C 2.976 179.938 176.870 0.153 0.000 1.073 344 L CA 1.648 56.502 54.840 0.024 0.000 0.748 344 L CB -0.617 41.400 42.059 -0.069 0.000 0.891 344 L HN 0.335 nan 8.230 nan 0.000 0.431 345 G N -1.123 107.778 108.800 0.169 0.000 2.432 345 G HA2 -0.312 3.648 3.960 0.001 0.000 0.219 345 G HA3 -0.312 3.648 3.960 0.001 0.000 0.219 345 G C 1.386 176.391 174.900 0.175 0.000 1.135 345 G CA 0.818 46.041 45.100 0.204 0.000 0.767 345 G HN 0.425 nan 8.290 nan 0.000 0.550 346 E N -0.918 119.374 120.200 0.154 0.000 2.152 346 E HA -0.069 4.281 4.350 0.001 0.000 0.192 346 E C 1.918 178.618 176.600 0.167 0.000 0.983 346 E CA 0.587 57.062 56.400 0.126 0.000 0.818 346 E CB -0.227 29.534 29.700 0.101 0.000 0.758 346 E HN 0.623 nan 8.360 nan 0.000 0.467 347 W N 0.267 121.597 121.300 0.049 0.000 2.418 347 W HA -0.056 4.604 4.660 0.001 0.000 0.292 347 W C 1.400 177.994 176.519 0.125 0.000 1.213 347 W CA 1.026 58.436 57.345 0.109 0.000 1.283 347 W CB -0.018 29.469 29.460 0.045 0.000 1.119 347 W HN 0.035 nan 8.180 nan 0.000 0.542 348 L N 0.288 121.669 121.223 0.265 0.000 2.056 348 L HA -0.128 4.212 4.340 0.001 0.000 0.207 348 L C 2.647 179.544 176.870 0.045 0.000 1.078 348 L CA 1.328 56.235 54.840 0.112 0.000 0.749 348 L CB -0.807 41.416 42.059 0.274 0.000 0.901 348 L HN -0.140 nan 8.230 nan 0.000 0.433 349 R N -0.166 120.375 120.500 0.070 0.000 2.139 349 R HA -0.207 4.133 4.340 0.001 0.000 0.243 349 R C 2.284 178.530 176.300 -0.091 0.000 1.145 349 R CA 1.412 57.526 56.100 0.023 0.000 0.976 349 R CB -0.109 30.206 30.300 0.025 0.000 0.866 349 R HN 0.272 nan 8.270 nan 0.000 0.449 350 K N -1.001 119.265 120.400 -0.223 0.000 2.166 350 K HA -0.042 4.279 4.320 0.001 0.000 0.201 350 K C 0.506 176.722 176.600 -0.641 0.000 1.052 350 K CA 0.927 56.937 56.287 -0.461 0.000 0.969 350 K CB 0.415 32.554 32.500 -0.602 0.000 0.761 350 K HN 0.149 nan 8.250 nan 0.000 0.459 351 Y N -1.084 118.894 120.300 -0.537 0.000 2.588 351 Y HA 0.241 4.791 4.550 0.001 0.000 0.247 351 Y C 1.592 177.113 175.900 -0.632 0.000 1.157 351 Y CA -0.221 57.450 58.100 -0.716 0.000 1.215 351 Y CB 0.545 38.136 38.460 -1.448 0.000 1.245 351 Y HN 0.084 nan 8.280 nan 0.000 0.534 352 G N 0.660 109.322 108.800 -0.230 0.000 2.556 352 G HA2 -0.358 3.603 3.960 0.001 0.000 0.220 352 G HA3 -0.358 3.603 3.960 0.001 0.000 0.220 352 G C 1.300 176.163 174.900 -0.062 0.000 1.156 352 G CA 1.809 46.867 45.100 -0.070 0.000 0.766 352 G HN 0.266 nan 8.290 nan 0.000 0.583 353 D N 0.721 121.122 120.400 0.003 0.000 2.190 353 D HA -0.053 4.587 4.640 0.001 0.000 0.200 353 D C 2.669 178.679 176.300 -0.484 0.000 0.992 353 D CA 1.258 55.256 54.000 -0.004 0.000 0.854 353 D CB -0.367 40.588 40.800 0.259 0.000 0.936 353 D HN 0.377 nan 8.370 nan 0.000 0.462 354 A N -0.429 121.815 122.820 -0.960 0.000 2.167 354 A HA -0.009 4.311 4.320 0.001 0.000 0.214 354 A C 1.770 178.864 177.584 -0.816 0.000 1.151 354 A CA 0.552 51.575 52.037 -1.691 0.000 0.735 354 A CB 0.059 18.185 19.000 -1.456 0.000 0.802 354 A HN 0.097 nan 8.150 nan 0.000 0.467 355 I N -2.337 117.929 120.570 -0.506 0.000 3.523 355 I HA 0.152 4.322 4.170 0.001 0.000 0.244 355 I C 0.243 176.227 176.117 -0.221 0.000 1.110 355 I CA -0.316 60.775 61.300 -0.349 0.000 1.517 355 I CB -1.700 36.052 38.000 -0.413 0.000 1.505 355 I HN 0.195 nan 8.210 nan 0.000 0.460 356 Y N 2.357 122.634 120.300 -0.039 0.000 2.811 356 Y HA 0.324 4.875 4.550 0.001 0.000 0.334 356 Y C 1.707 177.620 175.900 0.022 0.000 1.247 356 Y CA 0.925 59.035 58.100 0.016 0.000 1.526 356 Y CB -0.511 37.973 38.460 0.040 0.000 1.284 356 Y HN 0.514 nan 8.280 nan 0.000 0.586 357 G N 1.323 110.247 108.800 0.206 0.000 2.168 357 G HA2 -0.316 3.644 3.960 0.001 0.000 0.263 357 G HA3 -0.316 3.644 3.960 0.001 0.000 0.263 357 G C 0.335 175.308 174.900 0.122 0.000 0.977 357 G CA 0.429 45.619 45.100 0.149 0.000 0.659 357 G HN 0.964 nan 8.290 nan 0.000 0.533 358 T N -2.304 112.308 114.554 0.097 0.000 2.788 358 T HA 0.702 5.053 4.350 0.001 0.000 0.280 358 T C 0.288 175.048 174.700 0.099 0.000 0.984 358 T CA 0.379 62.546 62.100 0.113 0.000 0.972 358 T CB 2.133 71.048 68.868 0.079 0.000 1.039 358 T HN 0.809 nan 8.240 nan 0.000 0.530 359 S N -0.697 115.078 115.700 0.125 0.000 2.632 359 S HA 0.616 5.086 4.470 0.001 0.000 0.289 359 S C -0.284 174.403 174.600 0.145 0.000 1.115 359 S CA -0.695 57.573 58.200 0.115 0.000 0.889 359 S CB 1.277 64.546 63.200 0.115 0.000 1.116 359 S HN 1.094 nan 8.310 nan 0.000 0.486 360 V N 1.681 121.675 119.914 0.134 0.000 2.740 360 V HA 0.463 4.583 4.120 0.001 0.000 0.303 360 V C 0.149 176.382 176.094 0.232 0.000 1.054 360 V CA -0.342 62.060 62.300 0.169 0.000 1.106 360 V CB 0.092 31.990 31.823 0.126 0.000 0.957 360 V HN 0.852 nan 8.190 nan 0.000 0.486 361 W N 3.247 124.571 121.300 0.040 0.000 2.169 361 W HA 0.415 5.075 4.660 0.001 0.000 0.447 361 W C 1.795 178.288 176.519 -0.043 0.000 1.829 361 W CA -0.261 57.078 57.345 -0.011 0.000 2.025 361 W CB 0.962 30.399 29.460 -0.038 0.000 1.542 361 W HN 0.856 nan 8.180 nan 0.000 0.727 362 E N 0.658 120.408 120.200 -0.750 0.000 2.268 362 E HA -0.099 4.251 4.350 0.001 0.000 0.195 362 E C 0.144 176.479 176.600 -0.442 0.000 0.995 362 E CA 0.851 56.844 56.400 -0.677 0.000 0.836 362 E CB -0.109 29.014 29.700 -0.962 0.000 0.763 362 E HN 0.350 nan 8.360 nan 0.000 0.491 363 R N -0.266 120.039 120.500 -0.325 0.000 2.740 363 R HA 0.415 4.756 4.340 0.001 0.000 0.273 363 R C 0.682 177.121 176.300 0.231 0.000 0.998 363 R CA -0.328 55.745 56.100 -0.044 0.000 0.900 363 R CB 0.669 30.920 30.300 -0.083 0.000 1.223 363 R HN 0.121 nan 8.270 nan 0.000 0.466 364 C N -1.092 118.336 119.300 0.213 0.000 2.475 364 C HA 0.387 4.847 4.460 0.001 0.000 0.279 364 C C 0.534 175.746 174.990 0.370 0.000 1.322 364 C CA 0.026 59.204 59.018 0.267 0.000 1.734 364 C CB -0.790 27.039 27.740 0.148 0.000 2.005 364 C HN 0.644 nan 8.230 nan 0.000 0.495 365 C N 0.580 120.084 119.300 0.340 0.000 3.090 365 C HA 0.916 5.376 4.460 0.001 0.000 0.305 365 C C 0.154 175.300 174.990 0.261 0.000 1.292 365 C CA 0.251 59.394 59.018 0.209 0.000 1.482 365 C CB 0.980 28.762 27.740 0.071 0.000 1.897 365 C HN 0.974 nan 8.230 nan 0.000 0.469 366 A N 1.500 124.384 122.820 0.106 0.000 2.536 366 A HA 0.988 5.308 4.320 0.001 0.000 0.293 366 A C -1.826 175.729 177.584 -0.049 0.000 1.119 366 A CA -0.715 51.376 52.037 0.089 0.000 0.654 366 A CB 1.428 20.570 19.000 0.237 0.000 1.291 366 A HN 1.032 nan 8.150 nan 0.000 0.439 367 K N -0.762 119.623 120.400 -0.024 0.000 2.536 367 K HA 0.741 5.061 4.320 0.001 0.000 0.269 367 K C -0.368 176.233 176.600 0.002 0.000 0.965 367 K CA -0.188 56.074 56.287 -0.042 0.000 0.860 367 K CB 1.639 34.123 32.500 -0.028 0.000 1.423 367 K HN 0.947 nan 8.250 nan 0.000 0.438 368 T N -1.861 112.707 114.554 0.024 0.000 2.847 368 T HA 0.198 4.548 4.350 0.001 0.000 0.279 368 T C 0.808 175.535 174.700 0.044 0.000 0.984 368 T CA -0.543 61.597 62.100 0.067 0.000 0.988 368 T CB 1.058 69.997 68.868 0.118 0.000 1.040 368 T HN 0.693 nan 8.240 nan 0.000 0.528 369 E N 0.182 120.411 120.200 0.048 0.000 2.150 369 E HA -0.134 4.216 4.350 0.001 0.000 0.193 369 E C 1.346 177.962 176.600 0.026 0.000 0.985 369 E CA 1.113 57.534 56.400 0.034 0.000 0.814 369 E CB -0.078 29.643 29.700 0.035 0.000 0.752 369 E HN 0.621 nan 8.360 nan 0.000 0.466 370 D N -0.723 119.696 120.400 0.032 0.000 2.350 370 D HA -0.051 4.589 4.640 0.001 0.000 0.216 370 D C 1.286 177.595 176.300 0.015 0.000 0.968 370 D CA 1.154 55.167 54.000 0.023 0.000 0.894 370 D CB 0.275 41.091 40.800 0.026 0.000 0.909 370 D HN 0.373 nan 8.370 nan 0.000 0.520 371 G N -0.262 108.546 108.800 0.014 0.000 2.179 371 G HA2 -0.241 3.720 3.960 0.001 0.000 0.220 371 G HA3 -0.241 3.720 3.960 0.001 0.000 0.220 371 G C 0.428 175.318 174.900 -0.018 0.000 0.990 371 G CA 0.142 45.240 45.100 -0.004 0.000 0.646 371 G HN 0.286 nan 8.290 nan 0.000 0.517 372 T N 2.576 117.132 114.554 0.004 0.000 2.834 372 T HA 0.424 4.775 4.350 0.001 0.000 0.298 372 T C 0.355 175.022 174.700 -0.056 0.000 0.966 372 T CA -0.025 62.072 62.100 -0.005 0.000 1.141 372 T CB 1.323 70.246 68.868 0.091 0.000 0.905 372 T HN 0.259 nan 8.240 nan 0.000 0.535 373 E N 2.556 122.676 120.200 -0.135 0.000 2.383 373 E HA 0.334 4.684 4.350 0.001 0.000 0.264 373 E C -0.008 176.424 176.600 -0.280 0.000 1.050 373 E CA -0.023 56.262 56.400 -0.191 0.000 0.896 373 E CB 1.101 30.669 29.700 -0.219 0.000 0.982 373 E HN 0.522 nan 8.360 nan 0.000 0.424 374 I N 2.334 122.694 120.570 -0.350 0.000 2.647 374 I HA 0.375 4.545 4.170 0.001 0.000 0.295 374 I C -0.054 175.748 176.117 -0.525 0.000 1.078 374 I CA -0.933 60.013 61.300 -0.591 0.000 1.048 374 I CB 1.709 39.212 38.000 -0.828 0.000 1.239 374 I HN 0.055 nan 8.210 nan 0.000 0.421 375 R N 4.336 124.479 120.500 -0.597 0.000 2.686 375 R HA 0.601 4.941 4.340 0.001 0.000 0.283 375 R C -1.582 174.383 176.300 -0.559 0.000 0.978 375 R CA -0.822 55.027 56.100 -0.419 0.000 0.897 375 R CB 2.091 32.259 30.300 -0.221 0.000 1.192 375 R HN 0.350 nan 8.270 nan 0.000 0.457 376 F N 0.328 120.235 119.950 -0.072 0.000 2.480 376 F HA 0.512 5.040 4.527 0.001 0.000 0.329 376 F C 0.934 176.732 175.800 -0.004 0.000 1.091 376 F CA -0.477 57.466 58.000 -0.094 0.000 0.972 376 F CB 2.159 41.103 39.000 -0.093 0.000 1.150 376 F HN 0.436 nan 8.300 nan 0.000 0.467 377 T N 0.127 114.792 114.554 0.186 0.000 2.906 377 T HA 0.635 4.985 4.350 0.001 0.000 0.295 377 T C -0.939 173.909 174.700 0.248 0.000 1.075 377 T CA -1.087 61.138 62.100 0.208 0.000 1.005 377 T CB 2.389 71.337 68.868 0.132 0.000 1.136 377 T HN 0.691 nan 8.240 nan 0.000 0.498 378 R N 0.250 120.894 120.500 0.239 0.000 2.740 378 R HA 0.644 4.984 4.340 0.001 0.000 0.282 378 R C -1.366 175.063 176.300 0.216 0.000 0.969 378 R CA -0.899 55.309 56.100 0.180 0.000 0.918 378 R CB 1.593 32.028 30.300 0.225 0.000 1.175 378 R HN 0.756 nan 8.270 nan 0.000 0.464 379 K N 3.146 123.631 120.400 0.143 0.000 2.814 379 K HA 0.249 4.570 4.320 0.001 0.000 0.205 379 K C -0.481 176.167 176.600 0.079 0.000 1.093 379 K CA -0.358 56.029 56.287 0.167 0.000 1.035 379 K CB 0.028 32.712 32.500 0.306 0.000 1.220 379 K HN 0.869 nan 8.250 nan 0.000 0.576 380 C N 0.491 119.840 119.300 0.082 0.000 1.690 380 C HA -0.358 4.103 4.460 0.001 0.000 0.095 380 C C 1.940 176.956 174.990 0.043 0.000 0.715 380 C CA 1.309 60.364 59.018 0.061 0.000 0.789 380 C CB -1.430 26.341 27.740 0.051 0.000 3.214 380 C HN 0.973 nan 8.230 nan 0.000 1.074 381 N N 2.050 120.759 118.700 0.016 0.000 2.395 381 N HA -0.014 4.726 4.740 0.001 0.000 0.175 381 N C 0.370 175.841 175.510 -0.064 0.000 1.029 381 N CA 0.754 53.804 53.050 -0.001 0.000 0.897 381 N CB -0.334 38.154 38.487 0.002 0.000 0.991 381 N HN 0.751 nan 8.380 nan 0.000 0.441 382 R N 1.103 121.528 120.500 -0.125 0.000 2.296 382 R HA 0.351 4.692 4.340 0.001 0.000 0.323 382 R C -0.339 175.686 176.300 -0.457 0.000 1.067 382 R CA -0.045 55.871 56.100 -0.308 0.000 0.946 382 R CB 0.727 30.796 30.300 -0.385 0.000 0.991 382 R HN 0.179 nan 8.270 nan 0.000 0.448 383 I N 4.570 124.863 120.570 -0.462 0.000 2.328 383 I HA 0.215 4.386 4.170 0.001 0.000 0.287 383 I C -0.404 175.420 176.117 -0.489 0.000 1.012 383 I CA -0.621 60.388 61.300 -0.485 0.000 1.195 383 I CB 0.639 38.304 38.000 -0.558 0.000 1.350 383 I HN 0.346 nan 8.210 nan 0.000 0.464 384 F N 5.688 125.541 119.950 -0.162 0.000 2.427 384 F HA 0.317 4.844 4.527 0.001 0.000 0.352 384 F C 0.386 176.069 175.800 -0.195 0.000 1.100 384 F CA -0.561 57.346 58.000 -0.156 0.000 1.191 384 F CB 0.962 39.855 39.000 -0.180 0.000 1.128 384 F HN 0.052 nan 8.300 nan 0.000 0.533 385 V N 5.738 125.629 119.914 -0.039 0.000 2.313 385 V HA 0.330 4.450 4.120 0.001 0.000 0.278 385 V C 0.000 175.958 176.094 -0.228 0.000 1.017 385 V CA -0.590 61.544 62.300 -0.275 0.000 0.823 385 V CB 0.789 32.495 31.823 -0.195 0.000 1.010 385 V HN 0.530 nan 8.190 nan 0.000 0.443 386 I N 5.334 125.686 120.570 -0.363 0.000 2.328 386 I HA 0.410 4.581 4.170 0.001 0.000 0.287 386 I C -0.481 175.460 176.117 -0.293 0.000 1.012 386 I CA -0.255 60.916 61.300 -0.215 0.000 1.195 386 I CB 0.960 38.852 38.000 -0.180 0.000 1.350 386 I HN 0.358 nan 8.210 nan 0.000 0.464 387 F N 6.044 125.880 119.950 -0.190 0.000 2.412 387 F HA 0.216 4.743 4.527 0.001 0.000 0.348 387 F C 0.366 176.065 175.800 -0.169 0.000 1.102 387 F CA -0.513 57.382 58.000 -0.175 0.000 1.196 387 F CB 0.746 39.680 39.000 -0.110 0.000 1.144 387 F HN 0.276 nan 8.300 nan 0.000 0.541 388 L N 3.768 124.910 121.223 -0.136 0.000 2.423 388 L HA 0.516 4.856 4.340 0.001 0.000 0.249 388 L C 0.448 177.128 176.870 -0.316 0.000 1.276 388 L CA 0.067 54.649 54.840 -0.431 0.000 1.199 388 L CB -0.768 40.831 42.059 -0.767 0.000 1.407 388 L HN 0.792 nan 8.230 nan 0.000 0.410 389 G N 1.628 110.478 108.800 0.083 0.000 2.354 389 G HA2 0.036 3.996 3.960 0.001 0.000 0.582 389 G HA3 0.036 3.996 3.960 0.001 0.000 0.582 389 G C -1.204 173.757 174.900 0.103 0.000 1.316 389 G CA -1.053 44.133 45.100 0.144 0.000 0.995 389 G HN 0.069 nan 8.290 nan 0.000 0.573 390 I N 1.898 122.506 120.570 0.063 0.000 2.420 390 I HA 0.298 4.468 4.170 0.001 0.000 0.282 390 I C -2.056 174.045 176.117 -0.025 0.000 1.019 390 I CA -1.764 59.539 61.300 0.006 0.000 1.130 390 I CB 1.964 39.984 38.000 0.032 0.000 1.262 390 I HN 0.198 nan 8.210 nan 0.000 0.454 391 P HA 0.027 nan 4.420 nan 0.000 0.265 391 P C 0.260 177.529 177.300 -0.051 0.000 1.193 391 P CA -0.059 63.001 63.100 -0.068 0.000 0.765 391 P CB 0.342 31.965 31.700 -0.128 0.000 0.823 392 T N 0.145 114.683 114.554 -0.026 0.000 3.783 392 T HA 0.581 4.931 4.350 0.001 0.000 0.262 392 T C 0.334 175.022 174.700 -0.020 0.000 1.381 392 T CA -0.463 61.625 62.100 -0.019 0.000 1.155 392 T CB -0.851 68.013 68.868 -0.007 0.000 1.256 392 T HN 0.605 nan 8.240 nan 0.000 0.807 393 G N 0.499 109.281 108.800 -0.031 0.000 2.404 393 G HA2 0.321 4.281 3.960 0.001 0.000 0.298 393 G HA3 0.321 4.281 3.960 0.001 0.000 0.298 393 G C -0.158 174.721 174.900 -0.035 0.000 1.577 393 G CA -0.813 44.272 45.100 -0.025 0.000 0.847 393 G HN 0.165 nan 8.290 nan 0.000 0.598 394 E N -0.037 120.149 120.200 -0.024 0.000 2.051 394 E HA -0.007 4.343 4.350 0.001 0.000 0.189 394 E C 0.542 177.135 176.600 -0.012 0.000 0.979 394 E CA 0.579 56.964 56.400 -0.024 0.000 0.803 394 E CB 0.115 29.806 29.700 -0.016 0.000 0.761 394 E HN 0.350 nan 8.360 nan 0.000 0.451 395 K N 1.572 121.972 120.400 0.001 0.000 2.378 395 K HA 0.239 4.560 4.320 0.001 0.000 0.288 395 K C -0.465 176.147 176.600 0.020 0.000 1.057 395 K CA 0.284 56.582 56.287 0.018 0.000 0.971 395 K CB 0.635 33.148 32.500 0.021 0.000 0.975 395 K HN 0.044 nan 8.250 nan 0.000 0.475 396 I N 3.405 123.997 120.570 0.037 0.000 2.439 396 I HA 0.178 4.348 4.170 0.001 0.000 0.285 396 I C -0.671 175.506 176.117 0.100 0.000 1.021 396 I CA -1.120 60.214 61.300 0.057 0.000 1.091 396 I CB 1.898 39.915 38.000 0.029 0.000 1.242 396 I HN 0.175 nan 8.210 nan 0.000 0.439 397 V N 7.269 127.241 119.914 0.097 0.000 2.347 397 V HA 0.410 4.531 4.120 0.001 0.000 0.280 397 V C 0.233 176.394 176.094 0.112 0.000 1.021 397 V CA -0.435 61.924 62.300 0.099 0.000 0.847 397 V CB 1.508 33.375 31.823 0.073 0.000 0.990 397 V HN 0.488 nan 8.190 nan 0.000 0.444 398 I N 4.298 124.941 120.570 0.123 0.000 2.325 398 I HA 0.292 4.462 4.170 0.001 0.000 0.291 398 I C 0.646 176.816 176.117 0.089 0.000 1.019 398 I CA -0.296 61.069 61.300 0.108 0.000 1.302 398 I CB 0.953 39.023 38.000 0.118 0.000 1.401 398 I HN 0.621 nan 8.210 nan 0.000 0.485 399 E N 5.587 125.829 120.200 0.070 0.000 2.344 399 E HA 0.047 4.398 4.350 0.001 0.000 0.270 399 E C -0.871 175.769 176.600 0.066 0.000 1.021 399 E CA -0.193 56.242 56.400 0.059 0.000 0.887 399 E CB 0.384 30.109 29.700 0.043 0.000 0.997 399 E HN 0.456 nan 8.360 nan 0.000 0.429 400 D N 1.711 122.146 120.400 0.058 0.000 2.927 400 D HA -0.183 4.457 4.640 0.001 0.000 0.236 400 D C -1.306 175.036 176.300 0.069 0.000 1.163 400 D CA 0.762 54.793 54.000 0.053 0.000 0.801 400 D CB -0.775 40.049 40.800 0.040 0.000 0.975 400 D HN 0.137 nan 8.370 nan 0.000 0.413 401 L N 0.529 121.800 121.223 0.079 0.000 2.592 401 L HA 0.459 4.799 4.340 0.001 0.000 0.258 401 L C -1.480 175.446 176.870 0.093 0.000 0.926 401 L CA -0.415 54.483 54.840 0.096 0.000 0.885 401 L CB 1.930 44.077 42.059 0.145 0.000 1.380 401 L HN 0.141 nan 8.230 nan 0.000 0.415 402 N N 4.582 123.334 118.700 0.087 0.000 2.229 402 N HA 0.768 5.508 4.740 0.001 0.000 0.298 402 N C -1.744 173.828 175.510 0.104 0.000 1.114 402 N CA -0.733 52.374 53.050 0.094 0.000 0.776 402 N CB 2.446 40.975 38.487 0.071 0.000 1.501 402 N HN 0.476 nan 8.380 nan 0.000 0.474 403 L N 1.448 122.749 121.223 0.130 0.000 2.376 403 L HA 0.342 4.682 4.340 0.001 0.000 0.275 403 L C 0.832 177.811 176.870 0.182 0.000 0.987 403 L CA -0.379 54.541 54.840 0.133 0.000 0.828 403 L CB 2.038 44.133 42.059 0.060 0.000 1.249 403 L HN 0.571 nan 8.230 nan 0.000 0.409 404 S N 1.466 117.247 115.700 0.135 0.000 2.414 404 S HA 0.272 4.742 4.470 0.001 0.000 0.227 404 S C 0.617 175.296 174.600 0.132 0.000 1.022 404 S CA 0.927 59.195 58.200 0.113 0.000 0.958 404 S CB 0.316 63.561 63.200 0.074 0.000 0.797 404 S HN 0.792 nan 8.310 nan 0.000 0.493 405 A N -0.759 122.160 122.820 0.164 0.000 2.809 405 A HA 0.704 5.024 4.320 0.001 0.000 0.310 405 A C 0.194 177.909 177.584 0.219 0.000 1.138 405 A CA -0.162 51.978 52.037 0.172 0.000 0.610 405 A CB -0.101 18.958 19.000 0.099 0.000 1.432 405 A HN 1.329 nan 8.150 nan 0.000 0.597 406 G N -1.664 107.242 108.800 0.177 0.000 2.587 406 G HA2 0.444 4.404 3.960 0.001 0.000 0.212 406 G HA3 0.444 4.404 3.960 0.001 0.000 0.212 406 G C 0.126 175.167 174.900 0.235 0.000 1.327 406 G CA 0.537 45.730 45.100 0.155 0.000 0.898 406 G HN 2.645 nan 8.290 nan 0.000 0.551 407 T N -1.252 113.401 114.554 0.166 0.000 2.906 407 T HA 0.591 4.941 4.350 0.001 0.000 0.302 407 T C -0.316 174.441 174.700 0.096 0.000 1.002 407 T CA 0.145 62.363 62.100 0.196 0.000 0.988 407 T CB 1.138 70.080 68.868 0.122 0.000 0.972 407 T HN 1.416 nan 8.240 nan 0.000 0.447 408 V N 6.669 126.637 119.914 0.090 0.000 2.465 408 V HA 0.712 4.832 4.120 0.001 0.000 0.279 408 V C 0.391 176.529 176.094 0.073 0.000 1.045 408 V CA -0.574 61.686 62.300 -0.066 0.000 0.938 408 V CB 0.802 32.410 31.823 -0.360 0.000 0.986 408 V HN 1.012 nan 8.190 nan 0.000 0.467 409 R N 2.383 122.922 120.500 0.066 0.000 2.739 409 R HA 0.482 4.823 4.340 0.001 0.000 0.271 409 R C -0.579 175.817 176.300 0.160 0.000 1.010 409 R CA -0.885 55.285 56.100 0.117 0.000 0.897 409 R CB 1.285 31.641 30.300 0.094 0.000 1.236 409 R HN 0.740 nan 8.270 nan 0.000 0.466 410 H N 2.437 121.559 119.070 0.087 0.000 2.929 410 H HA -0.013 4.544 4.556 0.001 0.000 0.317 410 H C -0.100 175.319 175.328 0.152 0.000 1.031 410 H CA 0.225 56.344 56.048 0.119 0.000 1.466 410 H CB 0.630 30.439 29.762 0.077 0.000 1.482 410 H HN 0.675 nan 8.280 nan 0.000 0.561 411 F N 5.605 125.396 119.950 -0.264 0.000 2.075 411 F HA -0.241 4.287 4.527 0.001 0.000 0.297 411 F C 1.865 177.594 175.800 -0.119 0.000 1.113 411 F CA 1.388 59.326 58.000 -0.103 0.000 1.218 411 F CB -0.324 38.682 39.000 0.011 0.000 0.984 411 F HN 0.528 nan 8.300 nan 0.000 0.472 412 L N 0.536 121.555 121.223 -0.340 0.000 2.046 412 L HA -0.133 4.207 4.340 0.001 0.000 0.208 412 L C 2.548 179.301 176.870 -0.194 0.000 1.077 412 L CA 2.689 57.331 54.840 -0.330 0.000 0.747 412 L CB -1.201 40.833 42.059 -0.043 0.000 0.896 412 L HN 0.519 nan 8.230 nan 0.000 0.432 413 T N -4.900 109.696 114.554 0.070 0.000 3.031 413 T HA 0.310 4.661 4.350 0.001 0.000 0.254 413 T C 1.538 176.251 174.700 0.022 0.000 1.060 413 T CA 0.526 62.676 62.100 0.084 0.000 1.135 413 T CB 0.020 68.994 68.868 0.177 0.000 0.896 413 T HN 0.582 nan 8.240 nan 0.000 0.472 414 G N 1.046 109.871 108.800 0.041 0.000 2.157 414 G HA2 -0.215 3.745 3.960 0.001 0.000 0.239 414 G HA3 -0.215 3.745 3.960 0.001 0.000 0.239 414 G C -0.160 174.776 174.900 0.061 0.000 0.982 414 G CA 0.108 45.219 45.100 0.018 0.000 0.650 414 G HN 0.800 nan 8.290 nan 0.000 0.527 415 E N 1.254 121.514 120.200 0.100 0.000 2.324 415 E HA 0.488 4.838 4.350 0.001 0.000 0.271 415 E C 1.106 177.761 176.600 0.092 0.000 1.028 415 E CA -0.424 56.020 56.400 0.073 0.000 0.890 415 E CB 0.229 29.954 29.700 0.042 0.000 1.004 415 E HN 0.454 nan 8.360 nan 0.000 0.431 416 R N 3.252 123.796 120.500 0.073 0.000 2.698 416 R HA 0.183 4.523 4.340 0.001 0.000 0.266 416 R C -0.267 176.094 176.300 0.102 0.000 1.026 416 R CA 0.244 56.399 56.100 0.092 0.000 1.102 416 R CB 0.297 30.643 30.300 0.076 0.000 0.978 416 R HN 0.499 nan 8.270 nan 0.000 0.436 417 L N 0.668 121.979 121.223 0.146 0.000 2.381 417 L HA 0.324 4.664 4.340 0.001 0.000 0.268 417 L C 0.117 177.122 176.870 0.225 0.000 0.997 417 L CA -0.758 54.176 54.840 0.158 0.000 0.818 417 L CB 2.071 44.227 42.059 0.162 0.000 1.310 417 L HN 0.535 nan 8.230 nan 0.000 0.416 418 S N 2.016 117.808 115.700 0.153 0.000 2.565 418 S HA 0.702 5.172 4.470 0.001 0.000 0.274 418 S C -0.759 173.970 174.600 0.215 0.000 1.309 418 S CA -0.301 57.963 58.200 0.106 0.000 1.043 418 S CB 0.202 63.421 63.200 0.032 0.000 0.939 418 S HN 0.414 nan 8.310 nan 0.000 0.504 419 F N 1.594 121.566 119.950 0.036 0.000 2.693 419 F HA 0.812 5.339 4.527 0.001 0.000 0.309 419 F C -1.024 174.799 175.800 0.039 0.000 1.129 419 F CA -1.123 56.903 58.000 0.044 0.000 0.948 419 F CB 1.220 40.255 39.000 0.057 0.000 1.315 419 F HN 0.610 nan 8.300 nan 0.000 0.447 420 K N 1.203 121.715 120.400 0.186 0.000 2.575 420 K HA 0.402 4.722 4.320 0.001 0.000 0.279 420 K C -1.905 174.802 176.600 0.177 0.000 0.969 420 K CA -0.915 55.423 56.287 0.085 0.000 0.868 420 K CB 1.737 34.229 32.500 -0.013 0.000 1.457 420 K HN 0.774 nan 8.250 nan 0.000 0.426 421 N N 1.485 120.270 118.700 0.141 0.000 2.430 421 N HA 0.183 4.924 4.740 0.001 0.000 0.265 421 N C -1.101 174.456 175.510 0.078 0.000 1.100 421 N CA -0.206 52.916 53.050 0.120 0.000 0.961 421 N CB 1.484 40.036 38.487 0.108 0.000 1.075 421 N HN 0.222 nan 8.380 nan 0.000 0.478 422 V N 2.157 122.116 119.914 0.075 0.000 2.266 422 V HA 0.446 4.566 4.120 0.001 0.000 0.271 422 V C 1.198 177.322 176.094 0.049 0.000 1.032 422 V CA -0.128 62.205 62.300 0.055 0.000 0.806 422 V CB 0.122 31.977 31.823 0.054 0.000 1.052 422 V HN 0.976 nan 8.190 nan 0.000 0.449 423 G N 5.411 114.236 108.800 0.042 0.000 2.596 423 G HA2 -0.343 3.617 3.960 0.001 0.000 0.304 423 G HA3 -0.343 3.617 3.960 0.001 0.000 0.304 423 G C 0.975 175.899 174.900 0.040 0.000 1.189 423 G CA 0.838 45.960 45.100 0.036 0.000 0.986 423 G HN 0.579 nan 8.290 nan 0.000 0.548 424 K N 1.266 121.689 120.400 0.038 0.000 2.155 424 K HA 0.046 4.367 4.320 0.001 0.000 0.203 424 K C 0.867 177.499 176.600 0.053 0.000 1.052 424 K CA 0.989 57.300 56.287 0.039 0.000 0.948 424 K CB -0.137 32.382 32.500 0.032 0.000 0.728 424 K HN 0.401 nan 8.250 nan 0.000 0.448 425 N N 0.823 119.558 118.700 0.059 0.000 2.447 425 N HA 0.245 4.985 4.740 0.001 0.000 0.271 425 N C -0.986 174.579 175.510 0.092 0.000 1.226 425 N CA -0.564 52.530 53.050 0.073 0.000 0.980 425 N CB 0.752 39.280 38.487 0.067 0.000 1.206 425 N HN -0.092 nan 8.380 nan 0.000 0.558 426 L N -0.041 121.247 121.223 0.108 0.000 2.372 426 L HA 0.400 4.740 4.340 0.001 0.000 0.274 426 L C -0.713 176.243 176.870 0.143 0.000 0.988 426 L CA -0.342 54.581 54.840 0.137 0.000 0.833 426 L CB 1.068 43.209 42.059 0.137 0.000 1.236 426 L HN 0.437 nan 8.230 nan 0.000 0.410 427 E N 6.115 126.407 120.200 0.153 0.000 2.227 427 E HA 0.542 4.892 4.350 0.001 0.000 0.282 427 E C -0.990 175.721 176.600 0.186 0.000 1.015 427 E CA -0.317 56.168 56.400 0.140 0.000 0.823 427 E CB 1.867 31.630 29.700 0.105 0.000 1.081 427 E HN 0.551 nan 8.360 nan 0.000 0.396 428 I N 1.712 122.379 120.570 0.161 0.000 2.533 428 I HA 0.221 4.391 4.170 0.001 0.000 0.290 428 I C -0.302 175.881 176.117 0.109 0.000 1.056 428 I CA -0.764 60.640 61.300 0.174 0.000 1.057 428 I CB 2.317 40.414 38.000 0.161 0.000 1.240 428 I HN 0.307 nan 8.210 nan 0.000 0.423 429 T N 5.314 119.930 114.554 0.103 0.000 2.744 429 T HA 0.443 4.793 4.350 0.001 0.000 0.291 429 T C -0.242 174.482 174.700 0.040 0.000 0.957 429 T CA -0.370 61.763 62.100 0.055 0.000 1.002 429 T CB 1.179 70.075 68.868 0.046 0.000 0.919 429 T HN 0.239 nan 8.240 nan 0.000 0.468 430 V N 7.231 127.147 119.914 0.003 0.000 2.349 430 V HA 0.316 4.436 4.120 0.001 0.000 0.284 430 V C -2.331 173.732 176.094 -0.051 0.000 1.014 430 V CA -2.282 60.003 62.300 -0.024 0.000 0.826 430 V CB 1.191 32.987 31.823 -0.045 0.000 1.009 430 V HN 0.651 nan 8.190 nan 0.000 0.431 431 P HA 0.059 nan 4.420 nan 0.000 0.266 431 P C 0.904 178.160 177.300 -0.075 0.000 1.195 431 P CA 0.039 63.104 63.100 -0.058 0.000 0.768 431 P CB 0.805 32.470 31.700 -0.058 0.000 0.838 432 K N 3.319 123.688 120.400 -0.053 0.000 2.113 432 K HA -0.243 4.077 4.320 0.001 0.000 0.208 432 K C 1.415 177.982 176.600 -0.055 0.000 1.047 432 K CA 1.728 57.987 56.287 -0.047 0.000 0.928 432 K CB -0.089 32.393 32.500 -0.030 0.000 0.716 432 K HN 0.286 nan 8.250 nan 0.000 0.446 433 K N 0.301 120.665 120.400 -0.059 0.000 2.089 433 K HA -0.191 4.130 4.320 0.001 0.000 0.210 433 K C 2.072 178.614 176.600 -0.097 0.000 1.048 433 K CA 1.922 58.171 56.287 -0.064 0.000 0.926 433 K CB -0.161 32.303 32.500 -0.061 0.000 0.714 433 K HN 0.215 nan 8.250 nan 0.000 0.448 434 L N 0.195 121.314 121.223 -0.174 0.000 2.168 434 L HA -0.042 4.298 4.340 0.001 0.000 0.203 434 L C 2.200 178.949 176.870 -0.203 0.000 1.078 434 L CA 0.464 55.094 54.840 -0.350 0.000 0.780 434 L CB -0.342 41.285 42.059 -0.721 0.000 0.939 434 L HN 0.112 nan 8.230 nan 0.000 0.451 435 L N 0.066 121.222 121.223 -0.112 0.000 2.191 435 L HA -0.196 4.144 4.340 0.001 0.000 0.212 435 L C 2.291 179.177 176.870 0.027 0.000 1.103 435 L CA 1.161 55.993 54.840 -0.012 0.000 0.769 435 L CB -0.349 41.684 42.059 -0.043 0.000 0.908 435 L HN 0.323 nan 8.230 nan 0.000 0.438 436 E N -0.441 119.762 120.200 0.005 0.000 2.478 436 E HA -0.103 4.247 4.350 0.001 0.000 0.194 436 E C 1.727 178.355 176.600 0.045 0.000 1.045 436 E CA 0.938 57.351 56.400 0.022 0.000 0.868 436 E CB 0.301 30.003 29.700 0.002 0.000 0.885 436 E HN 0.482 nan 8.360 nan 0.000 0.505 437 T N -2.237 112.356 114.554 0.065 0.000 3.044 437 T HA 0.081 4.431 4.350 0.001 0.000 0.250 437 T C 0.583 175.376 174.700 0.156 0.000 1.081 437 T CA -0.380 61.775 62.100 0.091 0.000 1.040 437 T CB 0.196 69.114 68.868 0.083 0.000 0.962 437 T HN -0.123 nan 8.240 nan 0.000 0.506 438 D N 2.093 122.619 120.400 0.211 0.000 2.358 438 D HA 0.381 5.021 4.640 0.001 0.000 0.244 438 D C -0.538 175.913 176.300 0.252 0.000 1.163 438 D CA 0.176 54.355 54.000 0.299 0.000 0.945 438 D CB 1.575 42.559 40.800 0.308 0.000 1.152 438 D HN 0.252 nan 8.370 nan 0.000 0.451 439 S N 0.760 116.674 115.700 0.358 0.000 2.605 439 S HA 0.419 4.890 4.470 0.001 0.000 0.308 439 S C 1.046 175.844 174.600 0.330 0.000 1.113 439 S CA -0.569 57.814 58.200 0.305 0.000 1.049 439 S CB 0.003 63.394 63.200 0.319 0.000 1.001 439 S HN 0.563 nan 8.310 nan 0.000 0.480 440 I N 1.730 122.408 120.570 0.180 0.000 4.172 440 I HA -0.304 3.866 4.170 0.001 0.000 0.099 440 I C 0.534 176.731 176.117 0.134 0.000 0.511 440 I CA 1.759 63.108 61.300 0.082 0.000 1.179 440 I CB -1.782 36.177 38.000 -0.069 0.000 1.046 440 I HN 0.718 nan 8.210 nan 0.000 0.184 441 T N -0.149 114.500 114.554 0.159 0.000 2.879 441 T HA 0.649 5.000 4.350 0.001 0.000 0.290 441 T C -0.754 173.956 174.700 0.018 0.000 0.993 441 T CA -0.774 61.384 62.100 0.098 0.000 0.975 441 T CB 2.428 71.344 68.868 0.079 0.000 0.981 441 T HN 0.276 nan 8.240 nan 0.000 0.439 442 L N 4.116 125.381 121.223 0.070 0.000 2.410 442 L HA 0.604 4.944 4.340 0.001 0.000 0.273 442 L C -0.803 176.133 176.870 0.110 0.000 1.144 442 L CA 0.144 55.016 54.840 0.054 0.000 0.863 442 L CB 0.392 42.353 42.059 -0.164 0.000 1.140 442 L HN 0.658 nan 8.230 nan 0.000 0.463 443 V N 6.481 126.436 119.914 0.068 0.000 2.487 443 V HA 0.497 4.617 4.120 0.001 0.000 0.298 443 V C -0.142 176.026 176.094 0.125 0.000 1.028 443 V CA -0.651 61.678 62.300 0.049 0.000 0.860 443 V CB 1.456 33.193 31.823 -0.144 0.000 0.991 443 V HN 0.609 nan 8.190 nan 0.000 0.427 444 L N 3.145 124.471 121.223 0.172 0.000 2.298 444 L HA 0.727 5.068 4.340 0.001 0.000 0.268 444 L C -0.114 176.842 176.870 0.144 0.000 1.010 444 L CA -0.462 54.480 54.840 0.170 0.000 0.812 444 L CB 1.570 43.743 42.059 0.190 0.000 1.331 444 L HN 0.803 nan 8.230 nan 0.000 0.450 445 E N -0.060 120.190 120.200 0.084 0.000 2.287 445 E HA 0.697 5.047 4.350 0.001 0.000 0.274 445 E C -1.721 174.827 176.600 -0.088 0.000 0.896 445 E CA -0.488 55.900 56.400 -0.020 0.000 0.788 445 E CB 1.760 31.509 29.700 0.081 0.000 1.244 445 E HN 0.719 nan 8.360 nan 0.000 0.408 446 A N 2.730 125.444 122.820 -0.176 0.000 2.312 446 A HA 0.927 5.248 4.320 0.001 0.000 0.310 446 A C -0.888 176.614 177.584 -0.138 0.000 1.139 446 A CA -0.478 51.462 52.037 -0.162 0.000 0.886 446 A CB 1.502 20.379 19.000 -0.205 0.000 1.350 446 A HN 0.393 nan 8.150 nan 0.000 0.479 447 V N 0.000 119.865 119.914 -0.082 0.000 2.409 447 V HA 0.000 4.120 4.120 0.001 0.000 0.244 447 V CA 0.000 62.276 62.300 -0.040 0.000 1.235 447 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556